smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc(-c2ccccc2)nc1C ZINC000303157154 971533635 /nfs/dbraw/zinc/53/36/35/971533635.db2.gz UMCQJPOYUSCSFC-LJQANCHMSA-N 2 1 400.592 3.607 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000303164425 971537447 /nfs/dbraw/zinc/53/74/47/971537447.db2.gz FRVZLOQCUUNFTR-YADHBBJMSA-N 2 1 412.622 3.731 20 0 HHADMP CCCO[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000303300521 971611362 /nfs/dbraw/zinc/61/13/62/971611362.db2.gz CQCICHKSEZUNPD-XMMPIXPASA-N 2 1 423.601 3.765 20 0 HHADMP CCCO[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000303300521 971611369 /nfs/dbraw/zinc/61/13/69/971611369.db2.gz CQCICHKSEZUNPD-XMMPIXPASA-N 2 1 423.601 3.765 20 0 HHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCCSc3ccccc3Cl)CC2)CC1 ZINC000303399167 971682254 /nfs/dbraw/zinc/68/22/54/971682254.db2.gz RFXUMFPQKBDASN-UHFFFAOYSA-N 2 1 410.027 3.698 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000303429238 971711031 /nfs/dbraw/zinc/71/10/31/971711031.db2.gz FHNVXFUDEGDMPA-AAZCMCCISA-N 2 1 403.570 3.963 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000303429238 971711035 /nfs/dbraw/zinc/71/10/35/971711035.db2.gz FHNVXFUDEGDMPA-AAZCMCCISA-N 2 1 403.570 3.963 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000303429238 971711044 /nfs/dbraw/zinc/71/10/44/971711044.db2.gz FHNVXFUDEGDMPA-AAZCMCCISA-N 2 1 403.570 3.963 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000303485898 971784649 /nfs/dbraw/zinc/78/46/49/971784649.db2.gz RAQGJJQRRHEDNY-CTNGQTDRSA-N 2 1 412.603 3.801 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000303485898 971784652 /nfs/dbraw/zinc/78/46/52/971784652.db2.gz RAQGJJQRRHEDNY-CTNGQTDRSA-N 2 1 412.603 3.801 20 0 HHADMP C[C@@H]1CCC[C@](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)([NH+](C)C)C1 ZINC000303488658 971787309 /nfs/dbraw/zinc/78/73/09/971787309.db2.gz RRGFFINKCYLYRC-YUJQQNLTSA-N 2 1 412.622 3.992 20 0 HHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000303494116 971791611 /nfs/dbraw/zinc/79/16/11/971791611.db2.gz SVILFTRQSVYGTE-LRCWTOGTSA-N 2 1 412.622 3.848 20 0 HHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000303494116 971791613 /nfs/dbraw/zinc/79/16/13/971791613.db2.gz SVILFTRQSVYGTE-LRCWTOGTSA-N 2 1 412.622 3.848 20 0 HHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000303494116 971791619 /nfs/dbraw/zinc/79/16/19/971791619.db2.gz SVILFTRQSVYGTE-LRCWTOGTSA-N 2 1 412.622 3.848 20 0 HHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000303685830 971962330 /nfs/dbraw/zinc/96/23/30/971962330.db2.gz ZWBXNKYVQKEPJF-NRFANRHFSA-N 2 1 407.002 3.868 20 0 HHADMP C[C@@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000303705342 971971522 /nfs/dbraw/zinc/97/15/22/971971522.db2.gz XYTUTLLZSSHYHS-SFTDATJTSA-N 2 1 420.601 3.958 20 0 HHADMP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000303727309 971981303 /nfs/dbraw/zinc/98/13/03/971981303.db2.gz CNJCLAVZPUODGB-CNSORXHKSA-N 2 1 415.622 3.632 20 0 HHADMP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000303727309 971981307 /nfs/dbraw/zinc/98/13/07/971981307.db2.gz CNJCLAVZPUODGB-CNSORXHKSA-N 2 1 415.622 3.632 20 0 HHADMP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000303799335 972035669 /nfs/dbraw/zinc/03/56/69/972035669.db2.gz ALDDRBTUVAKQFT-RUZDIDTESA-N 2 1 421.585 3.580 20 0 HHADMP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000303799335 972035676 /nfs/dbraw/zinc/03/56/76/972035676.db2.gz ALDDRBTUVAKQFT-RUZDIDTESA-N 2 1 421.585 3.580 20 0 HHADMP CCCCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1OCC ZINC000537619737 1013162435 /nfs/dbraw/zinc/16/24/35/1013162435.db2.gz JSRQZSMYOZKFQQ-RBBKRZOGSA-N 2 1 403.611 3.722 20 0 HHADMP CCCCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1OCC ZINC000537619737 1013162440 /nfs/dbraw/zinc/16/24/40/1013162440.db2.gz JSRQZSMYOZKFQQ-RBBKRZOGSA-N 2 1 403.611 3.722 20 0 HHADMP C[C@@H](CC[NH+](C)C)NC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000542251526 1013211883 /nfs/dbraw/zinc/21/18/83/1013211883.db2.gz CXFAMEBAFFEJBA-AWEZNQCLSA-N 2 1 401.382 3.597 20 0 HHADMP Cc1nn2c(C[NH+]3CCC(CC[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)c(C(C)C)nc2s1 ZINC000537658841 1013219432 /nfs/dbraw/zinc/21/94/32/1013219432.db2.gz BJODGVNQMCUBOR-IRXDYDNUSA-N 2 1 419.639 3.934 20 0 HHADMP COc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)ccc1OCc1ccccc1 ZINC000537660222 1013220391 /nfs/dbraw/zinc/22/03/91/1013220391.db2.gz BECYLAKDKOODRO-XMMPIXPASA-N 2 1 423.601 3.875 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000537692608 1013256871 /nfs/dbraw/zinc/25/68/71/1013256871.db2.gz KPMQYIYVNXGCDB-CEXWTWQISA-N 2 1 408.468 3.575 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1nn(C2CCCCC2)cc1C ZINC000542367375 1013322527 /nfs/dbraw/zinc/32/25/27/1013322527.db2.gz OYLSXKIFQTXSFW-HXUWFJFHSA-N 2 1 404.603 3.577 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@H](C)c3ccccc3Cl)cc2)CC1 ZINC000015481913 962770900 /nfs/dbraw/zinc/77/09/00/962770900.db2.gz JNKWPADUPSCDJT-QGZVFWFLSA-N 2 1 400.954 3.771 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000537810489 1013372391 /nfs/dbraw/zinc/37/23/91/1013372391.db2.gz RODKLWIXRKCPFD-JOCHJYFZSA-N 2 1 415.626 3.698 20 0 HHADMP COc1cc(C[NH2+]C2CC[NH+](C)CC2)ccc1OCCOc1ccccc1Cl ZINC000017313901 963185433 /nfs/dbraw/zinc/18/54/33/963185433.db2.gz IXZLQUTYNGFWSB-UHFFFAOYSA-N 2 1 404.938 3.990 20 0 HHADMP CC(C)CO[C@H](C)c1noc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000537843180 1013405428 /nfs/dbraw/zinc/40/54/28/1013405428.db2.gz LFSCXGQEDKISPK-GOSISDBHSA-N 2 1 401.555 3.937 20 0 HHADMP CC(C)CO[C@H](C)c1noc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000537843180 1013405434 /nfs/dbraw/zinc/40/54/34/1013405434.db2.gz LFSCXGQEDKISPK-GOSISDBHSA-N 2 1 401.555 3.937 20 0 HHADMP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553505448 1013406322 /nfs/dbraw/zinc/40/63/22/1013406322.db2.gz VPSFZSKDEHKWHE-SANMLTNESA-N 2 1 412.537 3.985 20 0 HHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000048711593 964035232 /nfs/dbraw/zinc/03/52/32/964035232.db2.gz VUAWCLPCQWAYMH-INIZCTEOSA-N 2 1 403.368 3.826 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529171 1013470426 /nfs/dbraw/zinc/47/04/26/1013470426.db2.gz QLMIWEPQPPCMKG-QLFBSQMISA-N 2 1 409.477 3.578 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529171 1013470434 /nfs/dbraw/zinc/47/04/34/1013470434.db2.gz QLMIWEPQPPCMKG-QLFBSQMISA-N 2 1 409.477 3.578 20 0 HHADMP C[C@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542532812 1013477137 /nfs/dbraw/zinc/47/71/37/1013477137.db2.gz SVROODGZMHGVKV-BXWFABGCSA-N 2 1 400.485 3.688 20 0 HHADMP C[C@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542531478 1013473897 /nfs/dbraw/zinc/47/38/97/1013473897.db2.gz KXYDJSZBGFJPMF-ZMSDIMECSA-N 2 1 401.378 3.976 20 0 HHADMP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000026174459 964475006 /nfs/dbraw/zinc/47/50/06/964475006.db2.gz OFYXGKIVRYSADO-NRFANRHFSA-N 2 1 420.601 3.919 20 0 HHADMP C[C@@H](c1ccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1)[NH+]1CCOCC1 ZINC000537928207 1013512876 /nfs/dbraw/zinc/51/28/76/1013512876.db2.gz INUXGDJVOBXYLL-IBGZPJMESA-N 2 1 423.561 3.513 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000537978623 1013554660 /nfs/dbraw/zinc/55/46/60/1013554660.db2.gz AQTKMWWVQXPXDE-RDPSFJRHSA-N 2 1 412.622 3.993 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000537978623 1013554665 /nfs/dbraw/zinc/55/46/65/1013554665.db2.gz AQTKMWWVQXPXDE-RDPSFJRHSA-N 2 1 412.622 3.993 20 0 HHADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057152480 965312809 /nfs/dbraw/zinc/31/28/09/965312809.db2.gz KXFACQKYHZHCDQ-JOCHJYFZSA-N 2 1 406.574 3.598 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000057174310 965326454 /nfs/dbraw/zinc/32/64/54/965326454.db2.gz QZHUYBYCRMVUPH-XMMPIXPASA-N 2 1 405.586 3.988 20 0 HHADMP C[N@H+]1CCC[C@H](NC(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000057819217 965555239 /nfs/dbraw/zinc/55/52/39/965555239.db2.gz VOWCSXZFBSMYMW-QHCPKHFHSA-N 2 1 406.574 3.843 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000060580474 966214584 /nfs/dbraw/zinc/21/45/84/966214584.db2.gz JUJQAHCMUPYCCH-ISKFKSNPSA-N 2 1 421.585 3.861 20 0 HHADMP O=C(Cn1c[nH+]c2c1CCCC2)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000542722713 1013633882 /nfs/dbraw/zinc/63/38/82/1013633882.db2.gz IFSWFVBDQVEVRK-UHFFFAOYSA-N 2 1 416.569 3.971 20 0 HHADMP C[NH+](C)CCC1CC[NH+](CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000056524253 966362299 /nfs/dbraw/zinc/36/22/99/966362299.db2.gz VTNJIAHBVWSAJF-JOCHJYFZSA-N 2 1 403.567 3.757 20 0 HHADMP COc1ccc([C@@H](CNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)[NH+]2CCCC2)cc1 ZINC000056791849 966465596 /nfs/dbraw/zinc/46/55/96/966465596.db2.gz SZMRSGCQLPZBPZ-HSZRJFAPSA-N 2 1 416.610 3.594 20 0 HHADMP COc1ccc([C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C(C)C)cc1 ZINC000538100478 1013669421 /nfs/dbraw/zinc/66/94/21/1013669421.db2.gz FQFYYDCYQOXPQB-LADGPHEKSA-N 2 1 409.574 3.879 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000063464290 966867663 /nfs/dbraw/zinc/86/76/63/966867663.db2.gz XVUOSPNEXMGMBI-ISKFKSNPSA-N 2 1 408.590 3.809 20 0 HHADMP CC(C)[C@H](CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)[NH+]1CCOCC1 ZINC000043391160 966963875 /nfs/dbraw/zinc/96/38/75/966963875.db2.gz ZQFGPZZVFDDSGA-QHCPKHFHSA-N 2 1 416.610 3.929 20 0 HHADMP CC(C)[C@H](CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)[NH+]1CCOCC1 ZINC000043391160 966963885 /nfs/dbraw/zinc/96/38/85/966963885.db2.gz ZQFGPZZVFDDSGA-QHCPKHFHSA-N 2 1 416.610 3.929 20 0 HHADMP COCC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000542834360 1013697599 /nfs/dbraw/zinc/69/75/99/1013697599.db2.gz BPQFFUHROYSLBN-GMKZXUHWSA-N 2 1 407.558 3.662 20 0 HHADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000542840252 1013701973 /nfs/dbraw/zinc/70/19/73/1013701973.db2.gz HXSWXQMHGZXZBF-NRFANRHFSA-N 2 1 404.558 3.991 20 0 HHADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000542840252 1013701980 /nfs/dbraw/zinc/70/19/80/1013701980.db2.gz HXSWXQMHGZXZBF-NRFANRHFSA-N 2 1 404.558 3.991 20 0 HHADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000542854291 1013712567 /nfs/dbraw/zinc/71/25/67/1013712567.db2.gz QWJBNCHBXJTBLQ-HNAYVOBHSA-N 2 1 409.452 3.993 20 0 HHADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000542854291 1013712570 /nfs/dbraw/zinc/71/25/70/1013712570.db2.gz QWJBNCHBXJTBLQ-HNAYVOBHSA-N 2 1 409.452 3.993 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+](C)C)CC2)cc1 ZINC000065466327 967480031 /nfs/dbraw/zinc/48/00/31/967480031.db2.gz BTMISSHGDSTWLO-DEOSSOPVSA-N 2 1 424.589 3.524 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000065518355 967503501 /nfs/dbraw/zinc/50/35/01/967503501.db2.gz QVSPWPRJXQIXCR-XJUOHMSHSA-N 2 1 400.611 3.566 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000065518355 967503505 /nfs/dbraw/zinc/50/35/05/967503505.db2.gz QVSPWPRJXQIXCR-XJUOHMSHSA-N 2 1 400.611 3.566 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000065518355 967503515 /nfs/dbraw/zinc/50/35/15/967503515.db2.gz QVSPWPRJXQIXCR-XJUOHMSHSA-N 2 1 400.611 3.566 20 0 HHADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000065518445 967503679 /nfs/dbraw/zinc/50/36/79/967503679.db2.gz VJDSRTOEAMZQAR-RUZDIDTESA-N 2 1 420.601 3.994 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000065521758 967505910 /nfs/dbraw/zinc/50/59/10/967505910.db2.gz QBBHZJQDZQABDO-RDPSFJRHSA-N 2 1 406.574 3.917 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NC(=O)Nc2cccc(C)c2C)cc1 ZINC000542883949 1013732168 /nfs/dbraw/zinc/73/21/68/1013732168.db2.gz ZVIYWHCKUBNTPZ-QGZVFWFLSA-N 2 1 405.502 3.796 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2cc(OC)ncc2F)CC1 ZINC000554068727 1013784185 /nfs/dbraw/zinc/78/41/85/1013784185.db2.gz FHQMIEPVHIDZSB-CVEARBPZSA-N 2 1 404.505 3.922 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N(CC[NH+]3CCCCCC3)C(C)C)CC2)cs1 ZINC000554080719 1013789582 /nfs/dbraw/zinc/78/95/82/1013789582.db2.gz MGIBRVFKHKCJRL-UHFFFAOYSA-N 2 1 406.640 3.777 20 0 HHADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000554099616 1013797307 /nfs/dbraw/zinc/79/73/07/1013797307.db2.gz NUDFMWZZZACRDT-MRXNPFEDSA-N 2 1 419.791 3.648 20 0 HHADMP COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c(OC)c1 ZINC000048564821 968604620 /nfs/dbraw/zinc/60/46/20/968604620.db2.gz SYZFKGRWDBULQI-GOSISDBHSA-N 2 1 403.567 3.619 20 0 HHADMP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000065866841 968688664 /nfs/dbraw/zinc/68/86/64/968688664.db2.gz AAPDHZILCBDTCF-FQEVSTJZSA-N 2 1 419.610 3.516 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000071927170 968891926 /nfs/dbraw/zinc/89/19/26/968891926.db2.gz XPYFGONBPOOEPE-XMMPIXPASA-N 2 1 406.574 3.658 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000071927170 968891932 /nfs/dbraw/zinc/89/19/32/968891932.db2.gz XPYFGONBPOOEPE-XMMPIXPASA-N 2 1 406.574 3.658 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)CC(C)C ZINC000078872665 969019902 /nfs/dbraw/zinc/01/99/02/969019902.db2.gz ILPDGSJURYWUFQ-SIKLNZKXSA-N 2 1 404.599 3.958 20 0 HHADMP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)CC2)c1 ZINC000105294737 969228779 /nfs/dbraw/zinc/22/87/79/969228779.db2.gz QRUSCYSWCMFFSH-NRFANRHFSA-N 2 1 412.603 3.721 20 0 HHADMP CN(C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000554237515 1013867414 /nfs/dbraw/zinc/86/74/14/1013867414.db2.gz KTMNVVZBVILLAS-PGGWPXBNSA-N 2 1 404.986 3.744 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000108596993 969397868 /nfs/dbraw/zinc/39/78/68/969397868.db2.gz WNGWFMREWRNHSF-HXUWFJFHSA-N 2 1 409.574 3.789 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000109015971 969449755 /nfs/dbraw/zinc/44/97/55/969449755.db2.gz NNKBPNGIGDJTSU-UPVQGACJSA-N 2 1 409.549 3.991 20 0 HHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3C[C@H](C)C[C@H]3c3cccnc3)CC2)cc1 ZINC000554262625 1013882962 /nfs/dbraw/zinc/88/29/62/1013882962.db2.gz BRGOKJYYXJYBAH-QPPBQGQZSA-N 2 1 406.574 3.507 20 0 HHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3C[C@H](C)C[C@H]3c3cccnc3)CC2)cc1 ZINC000554262625 1013882967 /nfs/dbraw/zinc/88/29/67/1013882967.db2.gz BRGOKJYYXJYBAH-QPPBQGQZSA-N 2 1 406.574 3.507 20 0 HHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@H](C)C[C@H]3c3cccnc3)CC2)cc1 ZINC000554262625 1013882969 /nfs/dbraw/zinc/88/29/69/1013882969.db2.gz BRGOKJYYXJYBAH-QPPBQGQZSA-N 2 1 406.574 3.507 20 0 HHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3C[C@H](C)C[C@H]3c3cccnc3)CC2)cc1 ZINC000554262625 1013882974 /nfs/dbraw/zinc/88/29/74/1013882974.db2.gz BRGOKJYYXJYBAH-QPPBQGQZSA-N 2 1 406.574 3.507 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)CC1 ZINC000554263987 1013883187 /nfs/dbraw/zinc/88/31/87/1013883187.db2.gz KSVUAQYEWRIIMX-YADARESESA-N 2 1 406.574 3.554 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)CC1 ZINC000554263987 1013883195 /nfs/dbraw/zinc/88/31/95/1013883195.db2.gz KSVUAQYEWRIIMX-YADARESESA-N 2 1 406.574 3.554 20 0 HHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000109562851 969533851 /nfs/dbraw/zinc/53/38/51/969533851.db2.gz ZUHRIOFBCWDMPL-FCHUYYIVSA-N 2 1 411.615 3.989 20 0 HHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000109562851 969533857 /nfs/dbraw/zinc/53/38/57/969533857.db2.gz ZUHRIOFBCWDMPL-FCHUYYIVSA-N 2 1 411.615 3.989 20 0 HHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000109562851 969533864 /nfs/dbraw/zinc/53/38/64/969533864.db2.gz ZUHRIOFBCWDMPL-FCHUYYIVSA-N 2 1 411.615 3.989 20 0 HHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000110549408 969684727 /nfs/dbraw/zinc/68/47/27/969684727.db2.gz JXMONYQZRABQCC-UHFFFAOYSA-N 2 1 414.619 3.822 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1)C(C)C ZINC000110600765 969694951 /nfs/dbraw/zinc/69/49/51/969694951.db2.gz XYJKYOAXNYPOEF-VWLOTQADSA-N 2 1 422.617 3.635 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)CC2)cs1 ZINC000110938795 969744094 /nfs/dbraw/zinc/74/40/94/969744094.db2.gz QZOGGZCDTDEFOO-LAUBAEHRSA-N 2 1 412.603 3.615 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@@H]3CC[N@H+]([C@@H](C)c4ccccc4)C3)CC2)cs1 ZINC000110938795 969744098 /nfs/dbraw/zinc/74/40/98/969744098.db2.gz QZOGGZCDTDEFOO-LAUBAEHRSA-N 2 1 412.603 3.615 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)c1 ZINC000195746326 969998050 /nfs/dbraw/zinc/99/80/50/969998050.db2.gz ZNLJOEOLPYGGNE-XMMPIXPASA-N 2 1 424.589 3.783 20 0 HHADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000139837730 970049221 /nfs/dbraw/zinc/04/92/21/970049221.db2.gz NBSXFMGKSGRQLH-CEXWTWQISA-N 2 1 404.624 3.723 20 0 HHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000139837730 970049235 /nfs/dbraw/zinc/04/92/35/970049235.db2.gz NBSXFMGKSGRQLH-CEXWTWQISA-N 2 1 404.624 3.723 20 0 HHADMP C[C@H](c1ccc(NC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1)[NH+]1CCOCC1 ZINC000554442939 1013951225 /nfs/dbraw/zinc/95/12/25/1013951225.db2.gz QESDYRYACJWXLL-VGOFRKELSA-N 2 1 414.525 3.643 20 0 HHADMP C[C@H](c1ccc(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1)[NH+]1CCOCC1 ZINC000554442940 1013951321 /nfs/dbraw/zinc/95/13/21/1013951321.db2.gz QESDYRYACJWXLL-VGSWGCGISA-N 2 1 414.525 3.643 20 0 HHADMP c1sc(-c2ccccn2)nc1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000236698999 970157822 /nfs/dbraw/zinc/15/78/22/970157822.db2.gz CBCTYRPFZXWHKO-UHFFFAOYSA-N 2 1 421.614 3.893 20 0 HHADMP CC(C)(C)n1cc(C[NH2+]CCC[NH+]2CCC(O)CC2)c(-c2ccccc2Cl)n1 ZINC000236781927 970171575 /nfs/dbraw/zinc/17/15/75/970171575.db2.gz UDNYLEQKNITQID-UHFFFAOYSA-N 2 1 404.986 3.895 20 0 HHADMP CCN(CC)c1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000236968363 970196958 /nfs/dbraw/zinc/19/69/58/970196958.db2.gz GOWOTSZXGUXPEP-QHCPKHFHSA-N 2 1 408.590 3.520 20 0 HHADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000237074593 970217936 /nfs/dbraw/zinc/21/79/36/970217936.db2.gz HNCCDZMZFWYCCM-UHFFFAOYSA-N 2 1 421.564 3.796 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2cc3ccccc3[nH]c2=O)c1)C1CCOCC1 ZINC000237205920 970241359 /nfs/dbraw/zinc/24/13/59/970241359.db2.gz HUFBPNDHDIODQF-UHFFFAOYSA-N 2 1 421.541 3.720 20 0 HHADMP COc1cc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)c(-c2ccccc2)cc1OC ZINC000237368828 970271079 /nfs/dbraw/zinc/27/10/79/970271079.db2.gz SSUNLZMNIYMWPB-UHFFFAOYSA-N 2 1 411.590 3.734 20 0 HHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000237673773 970335935 /nfs/dbraw/zinc/33/59/35/970335935.db2.gz PNNSDUIRFOXJCK-HXUWFJFHSA-N 2 1 404.986 3.528 20 0 HHADMP Clc1ccc([C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)N2CCOCC2)cc1 ZINC000237740295 970350892 /nfs/dbraw/zinc/35/08/92/970350892.db2.gz WDMNIRXRFNXIHQ-XMMPIXPASA-N 2 1 413.993 3.968 20 0 HHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C[C@H](C)O1 ZINC000237774243 970363935 /nfs/dbraw/zinc/36/39/35/970363935.db2.gz CSZVAXBXWNMRIK-OYRHEFFESA-N 2 1 419.573 3.913 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccsc1 ZINC000148996360 970377544 /nfs/dbraw/zinc/37/75/44/970377544.db2.gz XFLGSDMQDAZRGA-APWZRJJASA-N 2 1 406.621 3.624 20 0 HHADMP C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000149443725 970399012 /nfs/dbraw/zinc/39/90/12/970399012.db2.gz IDLBMJQQSMSITP-NJYVYQBISA-N 2 1 401.595 3.538 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000149443725 970399020 /nfs/dbraw/zinc/39/90/20/970399020.db2.gz IDLBMJQQSMSITP-NJYVYQBISA-N 2 1 401.595 3.538 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000149443725 970399028 /nfs/dbraw/zinc/39/90/28/970399028.db2.gz IDLBMJQQSMSITP-NJYVYQBISA-N 2 1 401.595 3.538 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000149443725 970399039 /nfs/dbraw/zinc/39/90/39/970399039.db2.gz IDLBMJQQSMSITP-NJYVYQBISA-N 2 1 401.595 3.538 20 0 HHADMP CC[N@@H+](C)[C@H](C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccccc1 ZINC000247964612 970494114 /nfs/dbraw/zinc/49/41/14/970494114.db2.gz GBWSOIHPADMFII-REHUZNOOSA-N 2 1 409.574 3.605 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C1 ZINC000248270782 970526481 /nfs/dbraw/zinc/52/64/81/970526481.db2.gz ZLPNFHGHIURIAI-PLACYPQZSA-N 2 1 415.622 3.782 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C1 ZINC000248270782 970526487 /nfs/dbraw/zinc/52/64/87/970526487.db2.gz ZLPNFHGHIURIAI-PLACYPQZSA-N 2 1 415.622 3.782 20 0 HHADMP COc1cccc([C@@H](CNC(=O)NCCC[N@@H+](C)C2CCCCC2)[NH+]2CCCC2)c1 ZINC000195601444 970543869 /nfs/dbraw/zinc/54/38/69/970543869.db2.gz IFEIIPRNUXMIQW-HSZRJFAPSA-N 2 1 416.610 3.786 20 0 HHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000426036597 974159733 /nfs/dbraw/zinc/15/97/33/974159733.db2.gz QULHBKFPCUHKAA-JOCHJYFZSA-N 2 1 414.981 3.551 20 0 HHADMP COc1ccc(CC[C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1O ZINC000426409405 974436259 /nfs/dbraw/zinc/43/62/59/974436259.db2.gz GZDUNDIDQGACIJ-OFNKIYASSA-N 2 1 411.590 3.690 20 0 HHADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000427490217 975144914 /nfs/dbraw/zinc/14/49/14/975144914.db2.gz IJBSQXFWJCVTPV-QHCPKHFHSA-N 2 1 407.558 3.820 20 0 HHADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000427490217 975144916 /nfs/dbraw/zinc/14/49/16/975144916.db2.gz IJBSQXFWJCVTPV-QHCPKHFHSA-N 2 1 407.558 3.820 20 0 HHADMP Cc1nc(C(C)C)oc1C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000428217544 975540670 /nfs/dbraw/zinc/54/06/70/975540670.db2.gz JUGNEAYZXQHCQY-UHFFFAOYSA-N 2 1 412.578 3.567 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)NCCC[NH+](C)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000428273331 975587375 /nfs/dbraw/zinc/58/73/75/975587375.db2.gz ZTRSPCYDEJKXMZ-URXFXBBRSA-N 2 1 408.590 3.861 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)NCCC[N@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000428273331 975587384 /nfs/dbraw/zinc/58/73/84/975587384.db2.gz ZTRSPCYDEJKXMZ-URXFXBBRSA-N 2 1 408.590 3.861 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)NCCC[N@@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000428273331 975587394 /nfs/dbraw/zinc/58/73/94/975587394.db2.gz ZTRSPCYDEJKXMZ-URXFXBBRSA-N 2 1 408.590 3.861 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2CCc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000428283285 975596805 /nfs/dbraw/zinc/59/68/05/975596805.db2.gz STSFIJPWELSIQK-BWKNWUBXSA-N 2 1 420.601 3.787 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000428283285 975596826 /nfs/dbraw/zinc/59/68/26/975596826.db2.gz STSFIJPWELSIQK-BWKNWUBXSA-N 2 1 420.601 3.787 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NCCC[N@H+]2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000428283285 975596838 /nfs/dbraw/zinc/59/68/38/975596838.db2.gz STSFIJPWELSIQK-BWKNWUBXSA-N 2 1 420.601 3.787 20 0 HHADMP OC[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1Br ZINC000428542576 975845456 /nfs/dbraw/zinc/84/54/56/975845456.db2.gz DYLWMJGOUAPGRG-LJQANCHMSA-N 2 1 417.391 3.854 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)CC1 ZINC000428782711 976057671 /nfs/dbraw/zinc/05/76/71/976057671.db2.gz LKMBHOWYWOSJQB-WIYYLYMNSA-N 2 1 413.528 3.883 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)CC1 ZINC000428782711 976057682 /nfs/dbraw/zinc/05/76/82/976057682.db2.gz LKMBHOWYWOSJQB-WIYYLYMNSA-N 2 1 413.528 3.883 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)[nH+]1 ZINC000428868029 976158495 /nfs/dbraw/zinc/15/84/95/976158495.db2.gz SGBCRTBFZDLYSQ-NFBKMPQASA-N 2 1 421.589 3.711 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)[nH+]1 ZINC000428868029 976158501 /nfs/dbraw/zinc/15/85/01/976158501.db2.gz SGBCRTBFZDLYSQ-NFBKMPQASA-N 2 1 421.589 3.711 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000429079314 976364078 /nfs/dbraw/zinc/36/40/78/976364078.db2.gz AGZYRCAIKPQHBB-XUZZJYLKSA-N 2 1 405.586 3.925 20 0 HHADMP C[NH+](C)C1(CNC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CCC1 ZINC000429130438 976416659 /nfs/dbraw/zinc/41/66/59/976416659.db2.gz CVAMOHGIMXPIHK-UHFFFAOYSA-N 2 1 413.393 3.741 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000429236713 976527010 /nfs/dbraw/zinc/52/70/10/976527010.db2.gz UTNTXEFMUPICRV-CQSZACIVSA-N 2 1 403.527 3.934 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000429236713 976527023 /nfs/dbraw/zinc/52/70/23/976527023.db2.gz UTNTXEFMUPICRV-CQSZACIVSA-N 2 1 403.527 3.934 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(Br)c1 ZINC000429244828 976534622 /nfs/dbraw/zinc/53/46/22/976534622.db2.gz IAELMPCOPHIBNC-HNNXBMFYSA-N 2 1 407.356 3.947 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(Br)c1 ZINC000429244828 976534632 /nfs/dbraw/zinc/53/46/32/976534632.db2.gz IAELMPCOPHIBNC-HNNXBMFYSA-N 2 1 407.356 3.947 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCCO2)cc1)C(C)C ZINC000429324659 976591098 /nfs/dbraw/zinc/59/10/98/976591098.db2.gz FMELZJBVSJTEPV-RUZDIDTESA-N 2 1 423.601 3.938 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1)C(C)C ZINC000429324659 976591112 /nfs/dbraw/zinc/59/11/12/976591112.db2.gz FMELZJBVSJTEPV-RUZDIDTESA-N 2 1 423.601 3.938 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1)C(C)C ZINC000429324659 976591127 /nfs/dbraw/zinc/59/11/27/976591127.db2.gz FMELZJBVSJTEPV-RUZDIDTESA-N 2 1 423.601 3.938 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)CC[N@H+]1C ZINC000429494173 976751761 /nfs/dbraw/zinc/75/17/61/976751761.db2.gz RAIZHAVNBXKPQW-BVYCBKJFSA-N 2 1 400.611 3.584 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)CC[NH+]1C ZINC000429494173 976751766 /nfs/dbraw/zinc/75/17/66/976751766.db2.gz RAIZHAVNBXKPQW-BVYCBKJFSA-N 2 1 400.611 3.584 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)CC[NH+]1C ZINC000429494173 976751775 /nfs/dbraw/zinc/75/17/75/976751775.db2.gz RAIZHAVNBXKPQW-BVYCBKJFSA-N 2 1 400.611 3.584 20 0 HHADMP CC(C)[NH2+]C1CCN(C(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000429498014 976755517 /nfs/dbraw/zinc/75/55/17/976755517.db2.gz ZCZIAAIBQLQDRO-QFIPXVFZSA-N 2 1 400.611 3.631 20 0 HHADMP COc1ccccc1-c1ncc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000430242681 977414171 /nfs/dbraw/zinc/41/41/71/977414171.db2.gz SHCKZNGALKLHAV-BGYRXZFFSA-N 2 1 424.589 3.864 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000430670539 977680993 /nfs/dbraw/zinc/68/09/93/977680993.db2.gz NIQXKUNHCPWIBG-RBBKRZOGSA-N 2 1 419.560 3.723 20 0 HHADMP Cc1cc(Cl)ccc1OCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430671130 977682060 /nfs/dbraw/zinc/68/20/60/977682060.db2.gz PEONYMQFEKSXJP-UHFFFAOYSA-N 2 1 422.013 3.682 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000430678279 977688963 /nfs/dbraw/zinc/68/89/63/977688963.db2.gz SIGGDUNOEVEXRW-VPUSJEBWSA-N 2 1 423.645 3.935 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCc1ccc(Cl)s1 ZINC000430679396 977690047 /nfs/dbraw/zinc/69/00/47/977690047.db2.gz PLXXDDSXJFHIBI-UHFFFAOYSA-N 2 1 412.043 3.989 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(OC(F)F)cc1 ZINC000430684401 977694300 /nfs/dbraw/zinc/69/43/00/977694300.db2.gz NBXNVHGXRYANKX-UHFFFAOYSA-N 2 1 409.521 3.556 20 0 HHADMP Cc1ccc(OCCC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C ZINC000430685903 977695010 /nfs/dbraw/zinc/69/50/10/977695010.db2.gz SXXYTFTUWHTZES-UHFFFAOYSA-N 2 1 415.622 3.727 20 0 HHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COCc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000430824595 977780331 /nfs/dbraw/zinc/78/03/31/977780331.db2.gz XFBDQFKSFJTGED-OIBXWCBGSA-N 2 1 400.538 3.688 20 0 HHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COCc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000430824595 977780339 /nfs/dbraw/zinc/78/03/39/977780339.db2.gz XFBDQFKSFJTGED-OIBXWCBGSA-N 2 1 400.538 3.688 20 0 HHADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COCc2ccccc2F)CC[NH+]1Cc1ccccc1 ZINC000430824595 977780349 /nfs/dbraw/zinc/78/03/49/977780349.db2.gz XFBDQFKSFJTGED-OIBXWCBGSA-N 2 1 400.538 3.688 20 0 HHADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)COCc2ccccc2F)CC[NH+]1Cc1ccccc1 ZINC000430824595 977780356 /nfs/dbraw/zinc/78/03/56/977780356.db2.gz XFBDQFKSFJTGED-OIBXWCBGSA-N 2 1 400.538 3.688 20 0 HHADMP COC(=O)[C@@H](c1ccccc1Cl)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430923118 977889413 /nfs/dbraw/zinc/88/94/13/977889413.db2.gz BZQSOFDFVXSIDO-JOCHJYFZSA-N 2 1 422.013 3.682 20 0 HHADMP Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1C ZINC000430932462 977896626 /nfs/dbraw/zinc/89/66/26/977896626.db2.gz YWDGJLVEESLSFA-NRFANRHFSA-N 2 1 414.638 3.759 20 0 HHADMP Cc1cc(C)c(NC(=O)C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(C)c1 ZINC000430958426 977913190 /nfs/dbraw/zinc/91/31/90/977913190.db2.gz XURBAXKIVMWJML-UHFFFAOYSA-N 2 1 414.638 3.678 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000430978965 977924636 /nfs/dbraw/zinc/92/46/36/977924636.db2.gz MIRSIKJZNCOZIC-RLLQIKCJSA-N 2 1 400.592 3.703 20 0 HHADMP CC(C)(C)[N@H+]1C[C@@H](C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H](C(F)(F)F)C1 ZINC000431036419 977969517 /nfs/dbraw/zinc/96/95/17/977969517.db2.gz WFXVWLJWWDZVAR-RTBURBONSA-N 2 1 411.512 3.807 20 0 HHADMP CC(=O)c1cccc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000431077785 978006827 /nfs/dbraw/zinc/00/68/27/978006827.db2.gz QHGUTWSPPBWITO-UHFFFAOYSA-N 2 1 400.567 3.549 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000431199879 978089616 /nfs/dbraw/zinc/08/96/16/978089616.db2.gz ZJZSWBWBQBWRQV-UHFFFAOYSA-N 2 1 424.593 3.737 20 0 HHADMP CCS[C@H]1CCC[C@@H](NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000431666393 978422294 /nfs/dbraw/zinc/42/22/94/978422294.db2.gz SXHZQLHMIUFUCF-IRLDBZIGSA-N 2 1 424.699 3.888 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000431672888 978427174 /nfs/dbraw/zinc/42/71/74/978427174.db2.gz JLLAAEMJMFZAGT-YFXJRYMSSA-N 2 1 412.553 3.781 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000431675843 978428502 /nfs/dbraw/zinc/42/85/02/978428502.db2.gz JPTKZWFIKIQRSR-QPPBQGQZSA-N 2 1 406.574 3.567 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000431675843 978428505 /nfs/dbraw/zinc/42/85/05/978428505.db2.gz JPTKZWFIKIQRSR-QPPBQGQZSA-N 2 1 406.574 3.567 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000431691682 978438692 /nfs/dbraw/zinc/43/86/92/978438692.db2.gz LRCVUEKGLXFFDU-UGKGYDQZSA-N 2 1 412.578 3.714 20 0 HHADMP COc1cccc([C@H](C)NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000431769854 978498616 /nfs/dbraw/zinc/49/86/16/978498616.db2.gz CVQDJUNFQOXKPD-IBGZPJMESA-N 2 1 416.610 3.594 20 0 HHADMP COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)CC2)cc1 ZINC000431774664 978502823 /nfs/dbraw/zinc/50/28/23/978502823.db2.gz FTNAIFXSXWFJJA-XMMPIXPASA-N 2 1 413.606 3.821 20 0 HHADMP Cc1ccccc1C[C@H](C)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431778221 978505975 /nfs/dbraw/zinc/50/59/75/978505975.db2.gz HVANYOFIZKLYFU-NRFANRHFSA-N 2 1 414.638 3.764 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCCSc1ccccc1 ZINC000431878795 978571882 /nfs/dbraw/zinc/57/18/82/978571882.db2.gz CCDNHYACPAJKJA-UHFFFAOYSA-N 2 1 418.651 3.616 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C[C@H](c3ccccc3)[NH+](C)C)cc2)C[C@H](C)O1 ZINC000431903448 978588703 /nfs/dbraw/zinc/58/87/03/978588703.db2.gz UETYPNVVPGJPSJ-JXALWOEJSA-N 2 1 409.574 3.605 20 0 HHADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431914595 978597930 /nfs/dbraw/zinc/59/79/30/978597930.db2.gz SZBCSCOWTKTEJO-QHCPKHFHSA-N 2 1 410.606 3.701 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)[C@H]2C)CC1 ZINC000432835931 978987808 /nfs/dbraw/zinc/98/78/08/978987808.db2.gz KFXTUMYQCFGJES-BWKNWUBXSA-N 2 1 405.586 3.954 20 0 HHADMP CCN([C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000432871650 978997371 /nfs/dbraw/zinc/99/73/71/978997371.db2.gz LWMHPONFWIZHBO-DENIHFKCSA-N 2 1 415.603 3.594 20 0 HHADMP C[NH+](Cc1cc(Br)ccc1C[N@@H+](C)C[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000432955230 979023071 /nfs/dbraw/zinc/02/30/71/979023071.db2.gz LWYBOKDXNNGUIX-WOJBJXKFSA-N 2 1 411.384 3.671 20 0 HHADMP C[NH+](Cc1ccc(Br)cc1C[N@H+](C)C[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000432955230 979023076 /nfs/dbraw/zinc/02/30/76/979023076.db2.gz LWYBOKDXNNGUIX-WOJBJXKFSA-N 2 1 411.384 3.671 20 0 HHADMP C[NH+](Cc1ccc(Br)cc1C[N@@H+](C)C[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000432955230 979023081 /nfs/dbraw/zinc/02/30/81/979023081.db2.gz LWYBOKDXNNGUIX-WOJBJXKFSA-N 2 1 411.384 3.671 20 0 HHADMP COc1ccc(COC[C@@H](O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000433074243 979059601 /nfs/dbraw/zinc/05/96/01/979059601.db2.gz HVGSQLVPKFRHGG-DEOSSOPVSA-N 2 1 424.585 3.561 20 0 HHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1 ZINC000433113479 979079493 /nfs/dbraw/zinc/07/94/93/979079493.db2.gz CKCFQGGVBUJSSY-IBGZPJMESA-N 2 1 402.583 3.745 20 0 HHADMP COc1cccc(CNC(=O)[C@@H](C)[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433115940 979080385 /nfs/dbraw/zinc/08/03/85/979080385.db2.gz QGSABTFNHFSZTN-OAQYLSRUSA-N 2 1 421.585 3.688 20 0 HHADMP O=C(NC1CC1)[C@@H](c1ccccc1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433126785 979087084 /nfs/dbraw/zinc/08/70/84/979087084.db2.gz PRUDEJPOPQUNFI-XMMPIXPASA-N 2 1 403.570 3.994 20 0 HHADMP C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433167699 979111955 /nfs/dbraw/zinc/11/19/55/979111955.db2.gz OLEHFGQPMULLRC-JOCHJYFZSA-N 2 1 417.597 3.948 20 0 HHADMP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433167700 979112046 /nfs/dbraw/zinc/11/20/46/979112046.db2.gz OLEHFGQPMULLRC-QFIPXVFZSA-N 2 1 417.597 3.948 20 0 HHADMP C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433172000 979116325 /nfs/dbraw/zinc/11/63/25/979116325.db2.gz CVBDTCNPWITEDC-NRFANRHFSA-N 2 1 423.576 3.861 20 0 HHADMP C[C@H](NC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccc(F)cc1 ZINC000433193793 979132673 /nfs/dbraw/zinc/13/26/73/979132673.db2.gz SHWNRDNOPHLMCN-FQEVSTJZSA-N 2 1 409.549 3.991 20 0 HHADMP Cc1ccc(CNC(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1F ZINC000433212151 979145185 /nfs/dbraw/zinc/14/51/85/979145185.db2.gz FWDIIZQWGSQFAX-UHFFFAOYSA-N 2 1 409.549 3.738 20 0 HHADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000433388566 979270202 /nfs/dbraw/zinc/27/02/02/979270202.db2.gz VBLNAEHLOONAAZ-UGKGYDQZSA-N 2 1 421.601 3.698 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1-c1csc(C)n1 ZINC000433816621 979597625 /nfs/dbraw/zinc/59/76/25/979597625.db2.gz XXGSABNQJZCXGO-GOSISDBHSA-N 2 1 415.607 3.998 20 0 HHADMP CN(C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434142051 979902048 /nfs/dbraw/zinc/90/20/48/979902048.db2.gz BFQZHOKWNHYKEF-XMMPIXPASA-N 2 1 407.558 3.789 20 0 HHADMP Cn1ccnc1COc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000434660262 980325638 /nfs/dbraw/zinc/32/56/38/980325638.db2.gz BNEVSVSOTPMPJK-UHFFFAOYSA-N 2 1 405.546 3.912 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccsc1 ZINC000448218262 981633026 /nfs/dbraw/zinc/63/30/26/981633026.db2.gz UFWQRWWQCNXZIV-JRGCBEDISA-N 2 1 404.624 3.789 20 0 HHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000448365745 981726042 /nfs/dbraw/zinc/72/60/42/981726042.db2.gz JUQVWUMRZUEICR-AUSIDOKSSA-N 2 1 414.594 3.888 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)[C@@H](C)C1 ZINC000448461320 981794505 /nfs/dbraw/zinc/79/45/05/981794505.db2.gz KJRGVICNCPNJFD-REWPJTCUSA-N 2 1 400.611 3.790 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)[C@H](C)C1 ZINC000448463334 981797278 /nfs/dbraw/zinc/79/72/78/981797278.db2.gz ARKKLMMSFHHDJF-QMMLZNLJSA-N 2 1 407.002 3.849 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000448469707 981809363 /nfs/dbraw/zinc/80/93/63/981809363.db2.gz AZOGSFQUXOJYAV-GMAHTHKFSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000448469707 981809374 /nfs/dbraw/zinc/80/93/74/981809374.db2.gz AZOGSFQUXOJYAV-GMAHTHKFSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000448469707 981809386 /nfs/dbraw/zinc/80/93/86/981809386.db2.gz AZOGSFQUXOJYAV-GMAHTHKFSA-N 2 1 400.611 3.660 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)[C@H](C)C1 ZINC000448519301 981845734 /nfs/dbraw/zinc/84/57/34/981845734.db2.gz CUORAGNBGADUMG-XMSQKQJNSA-N 2 1 421.029 3.924 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)[C@H]1c1cccs1 ZINC000448519680 981846760 /nfs/dbraw/zinc/84/67/60/981846760.db2.gz FHYAJUZIZGWOMQ-MXKPZRPRSA-N 2 1 416.635 3.789 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)[C@H]1c1cccs1 ZINC000448519680 981846763 /nfs/dbraw/zinc/84/67/63/981846763.db2.gz FHYAJUZIZGWOMQ-MXKPZRPRSA-N 2 1 416.635 3.789 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)[C@H]1c1cccs1 ZINC000448519680 981846767 /nfs/dbraw/zinc/84/67/67/981846767.db2.gz FHYAJUZIZGWOMQ-MXKPZRPRSA-N 2 1 416.635 3.789 20 0 HHADMP Cn1cc[nH+]c1CC1CCN(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000448520836 981849746 /nfs/dbraw/zinc/84/97/46/981849746.db2.gz MAFZFCVSCUWFDA-WIYYLYMNSA-N 2 1 415.607 3.529 20 0 HHADMP Cn1cc[nH+]c1CC1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000448520836 981849759 /nfs/dbraw/zinc/84/97/59/981849759.db2.gz MAFZFCVSCUWFDA-WIYYLYMNSA-N 2 1 415.607 3.529 20 0 HHADMP CCCN(CC[NH+]1CCCCCC1)C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000460343881 982115425 /nfs/dbraw/zinc/11/54/25/982115425.db2.gz SSWSZENGQDBYOD-UHFFFAOYSA-N 2 1 401.599 3.656 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N(Cc1ccccc1)C1CC1 ZINC000460363379 982138438 /nfs/dbraw/zinc/13/84/38/982138438.db2.gz IGMKJBFYFZCXGM-NHCUHLMSSA-N 2 1 405.586 3.924 20 0 HHADMP O=C(C[N@@H+]1CCS[C@H]2CCCC[C@@H]21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000437525300 982149941 /nfs/dbraw/zinc/14/99/41/982149941.db2.gz MMBYQYZUTPTXCK-PMACEKPBSA-N 2 1 405.633 3.534 20 0 HHADMP O=C(C[N@H+]1CCS[C@H]2CCCC[C@@H]21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000437525300 982149945 /nfs/dbraw/zinc/14/99/45/982149945.db2.gz MMBYQYZUTPTXCK-PMACEKPBSA-N 2 1 405.633 3.534 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000460387079 982166923 /nfs/dbraw/zinc/16/69/23/982166923.db2.gz OEGBBZJDPLKOLK-SMIHKQSGSA-N 2 1 412.622 3.518 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000460387079 982166925 /nfs/dbraw/zinc/16/69/25/982166925.db2.gz OEGBBZJDPLKOLK-SMIHKQSGSA-N 2 1 412.622 3.518 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000460387079 982166930 /nfs/dbraw/zinc/16/69/30/982166930.db2.gz OEGBBZJDPLKOLK-SMIHKQSGSA-N 2 1 412.622 3.518 20 0 HHADMP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460411770 982195845 /nfs/dbraw/zinc/19/58/45/982195845.db2.gz ZZPCAEVNFWPCTH-DHIUTWEWSA-N 2 1 424.633 3.947 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000437625080 982246224 /nfs/dbraw/zinc/24/62/24/982246224.db2.gz OEHBYIRMQKSWDB-QGZVFWFLSA-N 2 1 416.488 3.508 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2cc3c(cccc3F)[nH]2)CC1)Cc1ccccc1 ZINC000438099540 982587400 /nfs/dbraw/zinc/58/74/00/982587400.db2.gz ZWUKWTFGIIIXEL-UHFFFAOYSA-N 2 1 422.548 3.767 20 0 HHADMP Cc1ccc2cc(C[NH2+]Cc3cccc(C[N@H+]4CCC[C@H](C(N)=O)C4)c3)ccc2n1 ZINC000438186260 982640200 /nfs/dbraw/zinc/64/02/00/982640200.db2.gz GLFPWTKPXWEISO-QHCPKHFHSA-N 2 1 402.542 3.530 20 0 HHADMP CSC1(CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC[NH+](C)CC1 ZINC000460959619 982691459 /nfs/dbraw/zinc/69/14/59/982691459.db2.gz QJFBVNMTHGPQSE-UHFFFAOYSA-N 2 1 411.615 3.632 20 0 HHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccco1 ZINC000461006857 982720611 /nfs/dbraw/zinc/72/06/11/982720611.db2.gz JLMWMKHTMKGQFW-KZKAQZJJSA-N 2 1 424.589 3.872 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000438447914 982798922 /nfs/dbraw/zinc/79/89/22/982798922.db2.gz QFRKEFKPJKMQMK-YHBQERECSA-N 2 1 412.622 3.770 20 0 HHADMP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461439680 983103835 /nfs/dbraw/zinc/10/38/35/983103835.db2.gz TYWUIIKMPWAKHV-PKTZIBPZSA-N 2 1 412.537 3.841 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000439230502 983320596 /nfs/dbraw/zinc/32/05/96/983320596.db2.gz SAOLMVHWKIZKHE-QUCCMNQESA-N 2 1 400.592 3.657 20 0 HHADMP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000439361497 983379297 /nfs/dbraw/zinc/37/92/97/983379297.db2.gz VBKMRULPSCJSEJ-YLJYHZDGSA-N 2 1 420.648 3.966 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000439733018 983518601 /nfs/dbraw/zinc/51/86/01/983518601.db2.gz MQNKPRUCBIPQHO-DVECYGJZSA-N 2 1 424.564 3.917 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000439733018 983518602 /nfs/dbraw/zinc/51/86/02/983518602.db2.gz MQNKPRUCBIPQHO-DVECYGJZSA-N 2 1 424.564 3.917 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000439765065 983529644 /nfs/dbraw/zinc/52/96/44/983529644.db2.gz DRKCYOLPWHJVDG-NZQKXSOJSA-N 2 1 406.574 3.635 20 0 HHADMP CC[NH+](CC)CCOc1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)ccc1OC ZINC000439844535 983555715 /nfs/dbraw/zinc/55/57/15/983555715.db2.gz VMBOXMNVPSIVJV-FQEVSTJZSA-N 2 1 403.567 3.761 20 0 HHADMP O=C(NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000440127056 983652870 /nfs/dbraw/zinc/65/28/70/983652870.db2.gz DJQDZKVMRWMSGT-QHCPKHFHSA-N 2 1 422.573 3.829 20 0 HHADMP O=C(NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000440127056 983652872 /nfs/dbraw/zinc/65/28/72/983652872.db2.gz DJQDZKVMRWMSGT-QHCPKHFHSA-N 2 1 422.573 3.829 20 0 HHADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCc3ccccc3[C@H](c3ccccc3)[C@@H]2C)CC1 ZINC000441057616 984047757 /nfs/dbraw/zinc/04/77/57/984047757.db2.gz AHRBZVQMDVVHEG-FNZWTVRRSA-N 2 1 405.586 3.666 20 0 HHADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000441388362 984225240 /nfs/dbraw/zinc/22/52/40/984225240.db2.gz XHPPBXNSWZYYNT-UHFFFAOYSA-N 2 1 417.601 3.963 20 0 HHADMP O=C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1cccc(Br)c1 ZINC000441398882 984230738 /nfs/dbraw/zinc/23/07/38/984230738.db2.gz DCYFNFBEBOEBTK-DNVCBOLYSA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1cccc(Br)c1 ZINC000441398882 984230742 /nfs/dbraw/zinc/23/07/42/984230742.db2.gz DCYFNFBEBOEBTK-DNVCBOLYSA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1cccc(Br)c1 ZINC000441398882 984230747 /nfs/dbraw/zinc/23/07/47/984230747.db2.gz DCYFNFBEBOEBTK-DNVCBOLYSA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1cccc(Br)c1 ZINC000441398882 984230750 /nfs/dbraw/zinc/23/07/50/984230750.db2.gz DCYFNFBEBOEBTK-DNVCBOLYSA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1cccc(Br)c1 ZINC000441398884 984230866 /nfs/dbraw/zinc/23/08/66/984230866.db2.gz DCYFNFBEBOEBTK-HNAYVOBHSA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1cccc(Br)c1 ZINC000441398884 984230869 /nfs/dbraw/zinc/23/08/69/984230869.db2.gz DCYFNFBEBOEBTK-HNAYVOBHSA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1cccc(Br)c1 ZINC000441398884 984230874 /nfs/dbraw/zinc/23/08/74/984230874.db2.gz DCYFNFBEBOEBTK-HNAYVOBHSA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1cccc(Br)c1 ZINC000441398884 984230879 /nfs/dbraw/zinc/23/08/79/984230879.db2.gz DCYFNFBEBOEBTK-HNAYVOBHSA-N 2 1 406.368 3.726 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441408479 984236850 /nfs/dbraw/zinc/23/68/50/984236850.db2.gz IWYCVPMXGJQHTB-NZQKXSOJSA-N 2 1 421.589 3.766 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441408479 984236863 /nfs/dbraw/zinc/23/68/63/984236863.db2.gz IWYCVPMXGJQHTB-NZQKXSOJSA-N 2 1 421.589 3.766 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441408479 984236875 /nfs/dbraw/zinc/23/68/75/984236875.db2.gz IWYCVPMXGJQHTB-NZQKXSOJSA-N 2 1 421.589 3.766 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441408479 984236877 /nfs/dbraw/zinc/23/68/77/984236877.db2.gz IWYCVPMXGJQHTB-NZQKXSOJSA-N 2 1 421.589 3.766 20 0 HHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000461729206 984743703 /nfs/dbraw/zinc/74/37/03/984743703.db2.gz PTIINSZSTHFMNZ-GGAORHGYSA-N 2 1 400.611 3.660 20 0 HHADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000462048761 985023737 /nfs/dbraw/zinc/02/37/37/985023737.db2.gz LWFIEELBMACKGL-HSZRJFAPSA-N 2 1 413.606 3.583 20 0 HHADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000462048761 985023749 /nfs/dbraw/zinc/02/37/49/985023749.db2.gz LWFIEELBMACKGL-HSZRJFAPSA-N 2 1 413.606 3.583 20 0 HHADMP Cc1cc(CNC(=O)NC(C)(C)CC[NH+]2CCCCCC2)cc(N2CCCC2)[nH+]1 ZINC000462261651 985249770 /nfs/dbraw/zinc/24/97/70/985249770.db2.gz JXDHLUQSBIZCEO-UHFFFAOYSA-N 2 1 401.599 3.834 20 0 HHADMP Cc1cc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)cc(N2CCCC2)[nH+]1 ZINC000462272703 985261916 /nfs/dbraw/zinc/26/19/16/985261916.db2.gz VRFDEFXKFRGYEZ-FQEVSTJZSA-N 2 1 415.969 3.746 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000462524628 985474666 /nfs/dbraw/zinc/47/46/66/985474666.db2.gz WQNCHMAUVCWVSS-PXDATVDWSA-N 2 1 420.601 3.513 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000462746905 985687763 /nfs/dbraw/zinc/68/77/63/985687763.db2.gz VJVKFEVWDKRXTF-PUHATCMVSA-N 2 1 400.611 3.660 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000462746905 985687766 /nfs/dbraw/zinc/68/77/66/985687766.db2.gz VJVKFEVWDKRXTF-PUHATCMVSA-N 2 1 400.611 3.660 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000462746905 985687769 /nfs/dbraw/zinc/68/77/69/985687769.db2.gz VJVKFEVWDKRXTF-PUHATCMVSA-N 2 1 400.611 3.660 20 0 HHADMP COc1ccc(OC)c(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000443598547 985775385 /nfs/dbraw/zinc/77/53/85/985775385.db2.gz FKNPFEFNQVACMS-GOSISDBHSA-N 2 1 403.567 3.619 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N(C)[C@H]3CC[NH+](C)C[C@@H]3C)cc2)C1 ZINC000443636093 985819492 /nfs/dbraw/zinc/81/94/92/985819492.db2.gz BJBJXKZNYHWKFP-SRYPRDQNSA-N 2 1 400.611 3.646 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)[C@H]3CC[N@H+](C)C[C@@H]3C)cc2)C1 ZINC000443636093 985819500 /nfs/dbraw/zinc/81/95/00/985819500.db2.gz BJBJXKZNYHWKFP-SRYPRDQNSA-N 2 1 400.611 3.646 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)[C@H]3CC[N@@H+](C)C[C@@H]3C)cc2)C1 ZINC000443636093 985819504 /nfs/dbraw/zinc/81/95/04/985819504.db2.gz BJBJXKZNYHWKFP-SRYPRDQNSA-N 2 1 400.611 3.646 20 0 HHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000443645998 985837862 /nfs/dbraw/zinc/83/78/62/985837862.db2.gz CLJXEMCHVPQDHU-DVECYGJZSA-N 2 1 408.590 3.897 20 0 HHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000463008320 985961506 /nfs/dbraw/zinc/96/15/06/985961506.db2.gz GRMSLWYFZDXLKE-YKSBVNFPSA-N 2 1 408.590 3.800 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]C2CCC(C(=O)N3CCSCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463121062 986085127 /nfs/dbraw/zinc/08/51/27/986085127.db2.gz YQCOJHHDAHNSFJ-SDXIKQIGSA-N 2 1 415.647 3.763 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]C2CCC(C(=O)N3CCSCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463121062 986085139 /nfs/dbraw/zinc/08/51/39/986085139.db2.gz YQCOJHHDAHNSFJ-SDXIKQIGSA-N 2 1 415.647 3.763 20 0 HHADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000463140437 986109288 /nfs/dbraw/zinc/10/92/88/986109288.db2.gz VUKNSUHFELHOIU-HXUWFJFHSA-N 2 1 421.585 3.702 20 0 HHADMP O=C(C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000463190652 986162205 /nfs/dbraw/zinc/16/22/05/986162205.db2.gz KDTHUIVSISZNEQ-UHFFFAOYSA-N 2 1 419.613 3.764 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463235122 986203903 /nfs/dbraw/zinc/20/39/03/986203903.db2.gz GIUKIQRJSHIUIE-NSISKUIASA-N 2 1 406.492 3.898 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000463235122 986203910 /nfs/dbraw/zinc/20/39/10/986203910.db2.gz GIUKIQRJSHIUIE-NSISKUIASA-N 2 1 406.492 3.898 20 0 HHADMP Cc1cccc(CC[C@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)c1 ZINC000468510895 986211707 /nfs/dbraw/zinc/21/17/07/986211707.db2.gz ISBUJVIXJMPQGT-NRFANRHFSA-N 2 1 409.574 3.767 20 0 HHADMP Cc1cc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)on1 ZINC000463276405 986243206 /nfs/dbraw/zinc/24/32/06/986243206.db2.gz YQIDCRPZXSDBQA-ZDFPQIBNSA-N 2 1 400.542 3.538 20 0 HHADMP Cc1cc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)on1 ZINC000463276405 986243217 /nfs/dbraw/zinc/24/32/17/986243217.db2.gz YQIDCRPZXSDBQA-ZDFPQIBNSA-N 2 1 400.542 3.538 20 0 HHADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000463292060 986259279 /nfs/dbraw/zinc/25/92/79/986259279.db2.gz ZCWSXXKYFDQIOV-BRDMEDAHSA-N 2 1 418.629 3.982 20 0 HHADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000468793656 986503537 /nfs/dbraw/zinc/50/35/37/986503537.db2.gz CKBHPKGQPGZOOV-MIZPHKNDSA-N 2 1 409.574 3.833 20 0 HHADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000468793656 986503544 /nfs/dbraw/zinc/50/35/44/986503544.db2.gz CKBHPKGQPGZOOV-MIZPHKNDSA-N 2 1 409.574 3.833 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2cc(C(F)(F)F)ccc2n1C ZINC000463628484 986604252 /nfs/dbraw/zinc/60/42/52/986604252.db2.gz LKFSSCZGOILXEL-SFHVURJKSA-N 2 1 424.511 3.685 20 0 HHADMP CCOC(=O)c1csc(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000468909309 986616249 /nfs/dbraw/zinc/61/62/49/986616249.db2.gz KCPVKCIGWHDUKQ-SLFFLAALSA-N 2 1 413.587 3.753 20 0 HHADMP CCOC(=O)c1csc(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000468909531 986616430 /nfs/dbraw/zinc/61/64/30/986616430.db2.gz KCPVKCIGWHDUKQ-XUVXKRRUSA-N 2 1 413.587 3.753 20 0 HHADMP CC[N@H+]1CC[C@@H]([NH2+]CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H](C)C1 ZINC000469039293 986749308 /nfs/dbraw/zinc/74/93/08/986749308.db2.gz PIFXHPNKOJVCBI-GHTZIAJQSA-N 2 1 412.544 3.537 20 0 HHADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000469095164 986810142 /nfs/dbraw/zinc/81/01/42/986810142.db2.gz TVCOFRGRYUNVDO-UHFFFAOYSA-N 2 1 411.550 3.850 20 0 HHADMP CC1(C)C[C@H]([NH2+]CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C(C)(C)O1 ZINC000444642624 986828287 /nfs/dbraw/zinc/82/82/87/986828287.db2.gz ITXWGTJCYXVWLX-MOPGFXCFSA-N 2 1 407.986 3.529 20 0 HHADMP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000444782862 986939353 /nfs/dbraw/zinc/93/93/53/986939353.db2.gz RMPNSPLANKWELR-UXHICEINSA-N 2 1 407.480 3.997 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000469334363 987042516 /nfs/dbraw/zinc/04/25/16/987042516.db2.gz NBFICJXERJBXAC-XMMPIXPASA-N 2 1 415.541 3.769 20 0 HHADMP COc1ccc2[nH]c(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CCN(C)CC3)cc2c1 ZINC000469367106 987064721 /nfs/dbraw/zinc/06/47/21/987064721.db2.gz JKVZYQIGWXERQP-DHIUTWEWSA-N 2 1 412.578 3.586 20 0 HHADMP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000469423633 987111380 /nfs/dbraw/zinc/11/13/80/987111380.db2.gz CKCOFOWJXFTCDM-SFHVURJKSA-N 2 1 411.456 3.599 20 0 HHADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000469423633 987111383 /nfs/dbraw/zinc/11/13/83/987111383.db2.gz CKCOFOWJXFTCDM-SFHVURJKSA-N 2 1 411.456 3.599 20 0 HHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000469425002 987113126 /nfs/dbraw/zinc/11/31/26/987113126.db2.gz VJZMRSMYOHAGPR-DEOSSOPVSA-N 2 1 423.605 3.502 20 0 HHADMP c1ccc(C(OCC[NH+]2CCN(CC[NH+]3CCCCC3)CC2)c2ccccc2)cc1 ZINC000469731753 987382771 /nfs/dbraw/zinc/38/27/71/987382771.db2.gz SHWLQOCFSBWBSS-UHFFFAOYSA-N 2 1 407.602 3.896 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC(=O)N1CCc2ccccc2C1 ZINC000469758446 987412030 /nfs/dbraw/zinc/41/20/30/987412030.db2.gz REXAWALTRLBGOI-ACWUQQCTSA-N 2 1 405.586 3.708 20 0 HHADMP Cc1ccc(CN(C(=O)C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)C2CC2)o1 ZINC000469764079 987416325 /nfs/dbraw/zinc/41/63/25/987416325.db2.gz NGBRUXDMAXTJRN-RTBURBONSA-N 2 1 409.574 3.825 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCCN1C(=O)c2ccccc2C1=O ZINC000469765375 987417851 /nfs/dbraw/zinc/41/78/51/987417851.db2.gz TZFWZLDOJPWFIN-GZOXUSKESA-N 2 1 419.569 3.809 20 0 HHADMP C[C@@H]1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463956398 988068351 /nfs/dbraw/zinc/06/83/51/988068351.db2.gz ZFRQRPIDJPEZKP-IFMALSPDSA-N 2 1 410.562 3.723 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000463965854 988079151 /nfs/dbraw/zinc/07/91/51/988079151.db2.gz BFDHCIPLMXUFGQ-VQTJNVASSA-N 2 1 400.592 3.514 20 0 HHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000470289029 988246989 /nfs/dbraw/zinc/24/69/89/988246989.db2.gz LBSHOIYINTVWQW-XPWALMASSA-N 2 1 400.611 3.800 20 0 HHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000470289029 988246997 /nfs/dbraw/zinc/24/69/97/988246997.db2.gz LBSHOIYINTVWQW-XPWALMASSA-N 2 1 400.611 3.800 20 0 HHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000470289029 988247004 /nfs/dbraw/zinc/24/70/04/988247004.db2.gz LBSHOIYINTVWQW-XPWALMASSA-N 2 1 400.611 3.800 20 0 HHADMP CC(C)[NH+](CCCNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)C(C)C ZINC000470508843 988506484 /nfs/dbraw/zinc/50/64/84/988506484.db2.gz YLZKBCUKGBDNSD-UHFFFAOYSA-N 2 1 402.627 3.845 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC(F)(F)F ZINC000470552541 988566026 /nfs/dbraw/zinc/56/60/26/988566026.db2.gz XJWJXTXVQLFFPQ-WSTZPKSXSA-N 2 1 411.512 3.772 20 0 HHADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000470552541 988566041 /nfs/dbraw/zinc/56/60/41/988566041.db2.gz XJWJXTXVQLFFPQ-WSTZPKSXSA-N 2 1 411.512 3.772 20 0 HHADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000470552541 988566049 /nfs/dbraw/zinc/56/60/49/988566049.db2.gz XJWJXTXVQLFFPQ-WSTZPKSXSA-N 2 1 411.512 3.772 20 0 HHADMP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@@H](C[N@@H+](C)CC4CC4)C3)c2)CC1 ZINC000470728745 988758537 /nfs/dbraw/zinc/75/85/37/988758537.db2.gz XTLQXBLVKCVUAC-DEOSSOPVSA-N 2 1 412.622 3.792 20 0 HHADMP CN(C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470731627 988763567 /nfs/dbraw/zinc/76/35/67/988763567.db2.gz FQOFEPLUKWGKBH-GOTSBHOMSA-N 2 1 412.553 3.734 20 0 HHADMP CN(C(=O)NCCC[NH+](C)Cc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470750308 988791233 /nfs/dbraw/zinc/79/12/33/988791233.db2.gz VZUQQVHUSCJYMJ-DEOSSOPVSA-N 2 1 408.590 3.815 20 0 HHADMP CN(C(=O)NCCC[N@H+](C)Cc1ccccc1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470750308 988791241 /nfs/dbraw/zinc/79/12/41/988791241.db2.gz VZUQQVHUSCJYMJ-DEOSSOPVSA-N 2 1 408.590 3.815 20 0 HHADMP CN(C(=O)NCCC[N@@H+](C)Cc1ccccc1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470750308 988791248 /nfs/dbraw/zinc/79/12/48/988791248.db2.gz VZUQQVHUSCJYMJ-DEOSSOPVSA-N 2 1 408.590 3.815 20 0 HHADMP CCS[C@H]1CC[C@H]([N@@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000464770203 988993599 /nfs/dbraw/zinc/99/35/99/988993599.db2.gz FQXIFGZWVGPEQK-VXKWHMMOSA-N 2 1 403.636 3.682 20 0 HHADMP C[C@H]1CCc2c(sc3nc(CC[N@@H+]4CC[C@H](C[NH+](C)CC5CC5)C4)nc(N)c23)C1 ZINC000470963179 989026485 /nfs/dbraw/zinc/02/64/85/989026485.db2.gz ZGCMTVNZRKIPHZ-DOTOQJQBSA-N 2 1 413.635 3.605 20 0 HHADMP C[C@H]1CCc2c(sc3nc(CC[N@H+]4CC[C@H](C[NH+](C)CC5CC5)C4)nc(N)c23)C1 ZINC000470963179 989026501 /nfs/dbraw/zinc/02/65/01/989026501.db2.gz ZGCMTVNZRKIPHZ-DOTOQJQBSA-N 2 1 413.635 3.605 20 0 HHADMP C[C@H]1CCc2c(sc3nc(CC[NH+]4CC[C@H](C[N@H+](C)CC5CC5)C4)nc(N)c23)C1 ZINC000470963179 989026515 /nfs/dbraw/zinc/02/65/15/989026515.db2.gz ZGCMTVNZRKIPHZ-DOTOQJQBSA-N 2 1 413.635 3.605 20 0 HHADMP C[C@H]1CCc2c(sc3nc(CC[NH+]4CC[C@H](C[N@@H+](C)CC5CC5)C4)nc(N)c23)C1 ZINC000470963179 989026524 /nfs/dbraw/zinc/02/65/24/989026524.db2.gz ZGCMTVNZRKIPHZ-DOTOQJQBSA-N 2 1 413.635 3.605 20 0 HHADMP C[C@@H]1CCc2c(sc3nc(CC[N@@H+]4CC[C@@H](C[NH+](C)CC5CC5)C4)nc(N)c23)C1 ZINC000470963182 989027655 /nfs/dbraw/zinc/02/76/55/989027655.db2.gz ZGCMTVNZRKIPHZ-WBVHZDCISA-N 2 1 413.635 3.605 20 0 HHADMP C[C@@H]1CCc2c(sc3nc(CC[N@H+]4CC[C@@H](C[NH+](C)CC5CC5)C4)nc(N)c23)C1 ZINC000470963182 989027668 /nfs/dbraw/zinc/02/76/68/989027668.db2.gz ZGCMTVNZRKIPHZ-WBVHZDCISA-N 2 1 413.635 3.605 20 0 HHADMP C[C@@H]1CCc2c(sc3nc(CC[NH+]4CC[C@@H](C[N@H+](C)CC5CC5)C4)nc(N)c23)C1 ZINC000470963182 989027675 /nfs/dbraw/zinc/02/76/75/989027675.db2.gz ZGCMTVNZRKIPHZ-WBVHZDCISA-N 2 1 413.635 3.605 20 0 HHADMP C[C@@H]1CCc2c(sc3nc(CC[NH+]4CC[C@@H](C[N@@H+](C)CC5CC5)C4)nc(N)c23)C1 ZINC000470963182 989027681 /nfs/dbraw/zinc/02/76/81/989027681.db2.gz ZGCMTVNZRKIPHZ-WBVHZDCISA-N 2 1 413.635 3.605 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000464825398 989063866 /nfs/dbraw/zinc/06/38/66/989063866.db2.gz WVHJCJMBAJWOJA-OAQYLSRUSA-N 2 1 400.611 3.696 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000464946263 989238115 /nfs/dbraw/zinc/23/81/15/989238115.db2.gz HBVNEOJGRTUJAJ-HSZRJFAPSA-N 2 1 400.611 3.840 20 0 HHADMP C[C@H](c1ccc(F)cc1F)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000471230017 989373928 /nfs/dbraw/zinc/37/39/28/989373928.db2.gz KCTKLILBBBDZJS-GOSISDBHSA-N 2 1 415.528 3.986 20 0 HHADMP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000471242529 989388230 /nfs/dbraw/zinc/38/82/30/989388230.db2.gz VADDERPKWVBQPJ-OAQYLSRUSA-N 2 1 424.614 3.879 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000471242529 989388238 /nfs/dbraw/zinc/38/82/38/989388238.db2.gz VADDERPKWVBQPJ-OAQYLSRUSA-N 2 1 424.614 3.879 20 0 HHADMP C[C@@H](NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000471554829 989755925 /nfs/dbraw/zinc/75/59/25/989755925.db2.gz JQMTYOGLUXXTGJ-ZBNTXBBCSA-N 2 1 409.574 3.717 20 0 HHADMP C[C@@H](NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000471554829 989755933 /nfs/dbraw/zinc/75/59/33/989755933.db2.gz JQMTYOGLUXXTGJ-ZBNTXBBCSA-N 2 1 409.574 3.717 20 0 HHADMP C[C@@H](NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000471554830 989755969 /nfs/dbraw/zinc/75/59/69/989755969.db2.gz JQMTYOGLUXXTGJ-ZSTWQFLISA-N 2 1 409.574 3.717 20 0 HHADMP C[C@@H](NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000471554830 989755975 /nfs/dbraw/zinc/75/59/75/989755975.db2.gz JQMTYOGLUXXTGJ-ZSTWQFLISA-N 2 1 409.574 3.717 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)Cc1ccccc1 ZINC000465430297 989775527 /nfs/dbraw/zinc/77/55/27/989775527.db2.gz GZZLNGWVANCJRP-RZUBCFFCSA-N 2 1 414.619 3.603 20 0 HHADMP C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000465431593 989776695 /nfs/dbraw/zinc/77/66/95/989776695.db2.gz KINOKFUKQUYFHD-ZJSXRUAMSA-N 2 1 406.574 3.567 20 0 HHADMP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000465431593 989776710 /nfs/dbraw/zinc/77/67/10/989776710.db2.gz KINOKFUKQUYFHD-ZJSXRUAMSA-N 2 1 406.574 3.567 20 0 HHADMP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000465431593 989776717 /nfs/dbraw/zinc/77/67/17/989776717.db2.gz KINOKFUKQUYFHD-ZJSXRUAMSA-N 2 1 406.574 3.567 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000465523682 989878336 /nfs/dbraw/zinc/87/83/36/989878336.db2.gz LGHIIRGVSMOSBH-TZIWHRDSSA-N 2 1 400.592 3.514 20 0 HHADMP CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000465534727 989896842 /nfs/dbraw/zinc/89/68/42/989896842.db2.gz SSMFMSITXTYKTR-MZKRTTBSSA-N 2 1 400.611 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000465535289 989898421 /nfs/dbraw/zinc/89/84/21/989898421.db2.gz AKSOEXCWGRUFFJ-HDAAZOAOSA-N 2 1 406.640 3.798 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000465535289 989898429 /nfs/dbraw/zinc/89/84/29/989898429.db2.gz AKSOEXCWGRUFFJ-HDAAZOAOSA-N 2 1 406.640 3.798 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000465535289 989898436 /nfs/dbraw/zinc/89/84/36/989898436.db2.gz AKSOEXCWGRUFFJ-HDAAZOAOSA-N 2 1 406.640 3.798 20 0 HHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000471734041 989930183 /nfs/dbraw/zinc/93/01/83/989930183.db2.gz FHJUIFCJOMJUPC-FAEJEUNOSA-N 2 1 418.548 3.601 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)C1 ZINC000465568387 989936316 /nfs/dbraw/zinc/93/63/16/989936316.db2.gz KJSGVEWUTAGXKW-RTWAWAEBSA-N 2 1 400.611 3.934 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1 ZINC000465568387 989936333 /nfs/dbraw/zinc/93/63/33/989936333.db2.gz KJSGVEWUTAGXKW-RTWAWAEBSA-N 2 1 400.611 3.934 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000465568387 989936340 /nfs/dbraw/zinc/93/63/40/989936340.db2.gz KJSGVEWUTAGXKW-RTWAWAEBSA-N 2 1 400.611 3.934 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465593565 989972067 /nfs/dbraw/zinc/97/20/67/989972067.db2.gz GKWUPKNBIUOTSI-GGAORHGYSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000465593565 989972077 /nfs/dbraw/zinc/97/20/77/989972077.db2.gz GKWUPKNBIUOTSI-GGAORHGYSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000465593565 989972082 /nfs/dbraw/zinc/97/20/82/989972082.db2.gz GKWUPKNBIUOTSI-GGAORHGYSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000465593675 989973232 /nfs/dbraw/zinc/97/32/32/989973232.db2.gz GUHFJLLCPHGERW-SBHAEUEKSA-N 2 1 406.640 3.942 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000465593675 989973242 /nfs/dbraw/zinc/97/32/42/989973242.db2.gz GUHFJLLCPHGERW-SBHAEUEKSA-N 2 1 406.640 3.942 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000465593675 989973248 /nfs/dbraw/zinc/97/32/48/989973248.db2.gz GUHFJLLCPHGERW-SBHAEUEKSA-N 2 1 406.640 3.942 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000465615432 990002092 /nfs/dbraw/zinc/00/20/92/990002092.db2.gz KMKQWMBEIKQLEG-QHCPKHFHSA-N 2 1 400.611 3.662 20 0 HHADMP C[N@@H+](CCCNC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000465617854 990004110 /nfs/dbraw/zinc/00/41/10/990004110.db2.gz DPLUOXJESIUMTF-UNMCSNQZSA-N 2 1 414.619 3.952 20 0 HHADMP C[NH+](CCCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000465617854 990004113 /nfs/dbraw/zinc/00/41/13/990004113.db2.gz DPLUOXJESIUMTF-UNMCSNQZSA-N 2 1 414.619 3.952 20 0 HHADMP C[NH+](CCCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000465617854 990004125 /nfs/dbraw/zinc/00/41/25/990004125.db2.gz DPLUOXJESIUMTF-UNMCSNQZSA-N 2 1 414.619 3.952 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000465676576 990062223 /nfs/dbraw/zinc/06/22/23/990062223.db2.gz ABQODXUZCRXDIO-GGAORHGYSA-N 2 1 400.611 3.662 20 0 HHADMP C[C@@H](OC1CCCCCC1)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000471931092 990097300 /nfs/dbraw/zinc/09/73/00/990097300.db2.gz RCCKRVKBEFRTFT-HXUWFJFHSA-N 2 1 407.643 3.769 20 0 HHADMP COc1cccc([C@@H]2[C@@H](NC(=O)Nc3ccccc3CC[NH+](C)C)CC[N@H+]2C2CC2)c1 ZINC000471962625 990127965 /nfs/dbraw/zinc/12/79/65/990127965.db2.gz FLICYGLEHYLMIJ-BJKOFHAPSA-N 2 1 422.573 3.899 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000465753812 990140016 /nfs/dbraw/zinc/14/00/16/990140016.db2.gz MBIGNFMGROPLCG-MQSCRBSSSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000465753812 990140025 /nfs/dbraw/zinc/14/00/25/990140025.db2.gz MBIGNFMGROPLCG-MQSCRBSSSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000465753812 990140029 /nfs/dbraw/zinc/14/00/29/990140029.db2.gz MBIGNFMGROPLCG-MQSCRBSSSA-N 2 1 400.611 3.660 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000465793755 990175538 /nfs/dbraw/zinc/17/55/38/990175538.db2.gz WINVHYMXZYJFCC-QHCPKHFHSA-N 2 1 400.611 3.936 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000465802922 990184715 /nfs/dbraw/zinc/18/47/15/990184715.db2.gz ACUDIURRAXXKJN-GMAHTHKFSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000465879378 990997855 /nfs/dbraw/zinc/99/78/55/990997855.db2.gz ZBPKVINZVGDMQD-NFBKMPQASA-N 2 1 400.611 3.503 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)CC2)[nH+]c1 ZINC000465957999 991100430 /nfs/dbraw/zinc/10/04/30/991100430.db2.gz NNOBZEDAQRPUOB-LEWJYISDSA-N 2 1 413.610 3.655 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)CC2)[nH+]c1 ZINC000465957999 991100436 /nfs/dbraw/zinc/10/04/36/991100436.db2.gz NNOBZEDAQRPUOB-LEWJYISDSA-N 2 1 413.610 3.655 20 0 HHADMP CCCC[N@H+](C)CC1CCN(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)CC1 ZINC000465960653 991104190 /nfs/dbraw/zinc/10/41/90/991104190.db2.gz YHONYWQJVUNWDF-UHFFFAOYSA-N 2 1 401.599 3.512 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)CC1 ZINC000465960653 991104198 /nfs/dbraw/zinc/10/41/98/991104198.db2.gz YHONYWQJVUNWDF-UHFFFAOYSA-N 2 1 401.599 3.512 20 0 HHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(CC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465962407 991106824 /nfs/dbraw/zinc/10/68/24/991106824.db2.gz YSKZGUOFZIYWTN-DHIUTWEWSA-N 2 1 400.611 3.805 20 0 HHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000465962407 991106826 /nfs/dbraw/zinc/10/68/26/991106826.db2.gz YSKZGUOFZIYWTN-DHIUTWEWSA-N 2 1 400.611 3.805 20 0 HHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000465962407 991106830 /nfs/dbraw/zinc/10/68/30/991106830.db2.gz YSKZGUOFZIYWTN-DHIUTWEWSA-N 2 1 400.611 3.805 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000466011097 991176260 /nfs/dbraw/zinc/17/62/60/991176260.db2.gz BTXCFJPPGUAPFH-FGZHOGPDSA-N 2 1 402.627 3.906 20 0 HHADMP C[NH+](C)CCC1CCN(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CC1 ZINC000466012965 991178314 /nfs/dbraw/zinc/17/83/14/991178314.db2.gz UPKFVYGPUATCRV-UHFFFAOYSA-N 2 1 412.578 3.785 20 0 HHADMP C[NH+](C)CCC1CCN(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CC1 ZINC000466012965 991178318 /nfs/dbraw/zinc/17/83/18/991178318.db2.gz UPKFVYGPUATCRV-UHFFFAOYSA-N 2 1 412.578 3.785 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C[N@H+]1Cc1ccccc1 ZINC000466228576 991450778 /nfs/dbraw/zinc/45/07/78/991450778.db2.gz WFAJGKJZHKDHBG-HYBUGGRVSA-N 2 1 406.574 3.745 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C[N@H+]1Cc1ccccc1 ZINC000466228578 991451020 /nfs/dbraw/zinc/45/10/20/991451020.db2.gz WFAJGKJZHKDHBG-YKSBVNFPSA-N 2 1 406.574 3.745 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C[N@H+]1Cc1ccccc1 ZINC000466248277 991484068 /nfs/dbraw/zinc/48/40/68/991484068.db2.gz KTEOOYDVXWWQKA-SDUSCBPUSA-N 2 1 420.601 3.513 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C[NH+]1Cc1ccccc1 ZINC000466248277 991484072 /nfs/dbraw/zinc/48/40/72/991484072.db2.gz KTEOOYDVXWWQKA-SDUSCBPUSA-N 2 1 420.601 3.513 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C[NH+]1Cc1ccccc1 ZINC000466248277 991484079 /nfs/dbraw/zinc/48/40/79/991484079.db2.gz KTEOOYDVXWWQKA-SDUSCBPUSA-N 2 1 420.601 3.513 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2cncc(Br)c2)C[C@H](C)O1 ZINC000466374586 991652883 /nfs/dbraw/zinc/65/28/83/991652883.db2.gz UCVLYBHCGINWKH-IYBDPMFKSA-N 2 1 404.352 3.743 20 0 HHADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000466514668 991801401 /nfs/dbraw/zinc/80/14/01/991801401.db2.gz MFVNFIKDQCKASI-RBBKRZOGSA-N 2 1 421.589 3.531 20 0 HHADMP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000466541536 991847169 /nfs/dbraw/zinc/84/71/69/991847169.db2.gz RQQANMVALIPJKB-RBBKRZOGSA-N 2 1 421.589 3.613 20 0 HHADMP CC[NH+](CC)CCOC1CC[NH+](CC[S@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000466729948 992040634 /nfs/dbraw/zinc/04/06/34/992040634.db2.gz CNWYHAXTKMNFHO-SANMLTNESA-N 2 1 421.434 3.924 20 0 HHADMP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1cc2ccccc2o1 ZINC000466910381 992225633 /nfs/dbraw/zinc/22/56/33/992225633.db2.gz VAVCWOSIYUOFEE-MOPGFXCFSA-N 2 1 413.562 3.575 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000467096140 992401822 /nfs/dbraw/zinc/40/18/22/992401822.db2.gz XJVHMWYDBDQZAF-NRFANRHFSA-N 2 1 408.590 3.597 20 0 HHADMP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000467209729 992534824 /nfs/dbraw/zinc/53/48/24/992534824.db2.gz ZCXNBFGKBRBVDE-OAHLLOKOSA-N 2 1 414.377 3.897 20 0 HHADMP C[C@H](NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467856404 993087667 /nfs/dbraw/zinc/08/76/67/993087667.db2.gz YPPQUYKTFDASQC-DJPFJPOOSA-N 2 1 421.632 3.732 20 0 HHADMP C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467856404 993087674 /nfs/dbraw/zinc/08/76/74/993087674.db2.gz YPPQUYKTFDASQC-DJPFJPOOSA-N 2 1 421.632 3.732 20 0 HHADMP CC1CC[NH+](C2CCC(NC(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000472116888 993168799 /nfs/dbraw/zinc/16/87/99/993168799.db2.gz BYNKWJPCXZCIPS-BOMBAVFCSA-N 2 1 412.622 3.851 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000472167575 993214242 /nfs/dbraw/zinc/21/42/42/993214242.db2.gz ACRQQWWHRYHHSN-UKILVPOCSA-N 2 1 420.601 3.718 20 0 HHADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000472167575 993214250 /nfs/dbraw/zinc/21/42/50/993214250.db2.gz ACRQQWWHRYHHSN-UKILVPOCSA-N 2 1 420.601 3.718 20 0 HHADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000472167575 993214257 /nfs/dbraw/zinc/21/42/57/993214257.db2.gz ACRQQWWHRYHHSN-UKILVPOCSA-N 2 1 420.601 3.718 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000472167559 993214351 /nfs/dbraw/zinc/21/43/51/993214351.db2.gz ACRQQWWHRYHHSN-ILBGXUMGSA-N 2 1 420.601 3.718 20 0 HHADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000472167559 993214357 /nfs/dbraw/zinc/21/43/57/993214357.db2.gz ACRQQWWHRYHHSN-ILBGXUMGSA-N 2 1 420.601 3.718 20 0 HHADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000472167559 993214368 /nfs/dbraw/zinc/21/43/68/993214368.db2.gz ACRQQWWHRYHHSN-ILBGXUMGSA-N 2 1 420.601 3.718 20 0 HHADMP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472305585 993317694 /nfs/dbraw/zinc/31/76/94/993317694.db2.gz MJUZOBAONJMYLN-QFIPXVFZSA-N 2 1 400.611 3.852 20 0 HHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000472313975 993325156 /nfs/dbraw/zinc/32/51/56/993325156.db2.gz LEOXRJMTPRVQES-DNQXCXABSA-N 2 1 412.622 3.662 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472319209 993330710 /nfs/dbraw/zinc/33/07/10/993330710.db2.gz UHVNQOKJJACOEK-DQEYMECFSA-N 2 1 420.601 3.672 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472319209 993330717 /nfs/dbraw/zinc/33/07/17/993330717.db2.gz UHVNQOKJJACOEK-DQEYMECFSA-N 2 1 420.601 3.672 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472319209 993330724 /nfs/dbraw/zinc/33/07/24/993330724.db2.gz UHVNQOKJJACOEK-DQEYMECFSA-N 2 1 420.601 3.672 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000472384083 993379318 /nfs/dbraw/zinc/37/93/18/993379318.db2.gz GQGKBNWFIRTFTN-XMMPIXPASA-N 2 1 412.622 3.806 20 0 HHADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000472384083 993379325 /nfs/dbraw/zinc/37/93/25/993379325.db2.gz GQGKBNWFIRTFTN-XMMPIXPASA-N 2 1 412.622 3.806 20 0 HHADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000472384083 993379334 /nfs/dbraw/zinc/37/93/34/993379334.db2.gz GQGKBNWFIRTFTN-XMMPIXPASA-N 2 1 412.622 3.806 20 0 HHADMP CCN(C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472387006 993382444 /nfs/dbraw/zinc/38/24/44/993382444.db2.gz XKWFYEAFDDNVSO-RPBOFIJWSA-N 2 1 420.601 3.815 20 0 HHADMP CCN(C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472387006 993382448 /nfs/dbraw/zinc/38/24/48/993382448.db2.gz XKWFYEAFDDNVSO-RPBOFIJWSA-N 2 1 420.601 3.815 20 0 HHADMP CCN(C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472387006 993382454 /nfs/dbraw/zinc/38/24/54/993382454.db2.gz XKWFYEAFDDNVSO-RPBOFIJWSA-N 2 1 420.601 3.815 20 0 HHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000472684920 993606012 /nfs/dbraw/zinc/60/60/12/993606012.db2.gz RJYRSDWUQWGPCT-LJQANCHMSA-N 2 1 408.384 3.974 20 0 HHADMP Ic1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCCO2 ZINC000480759846 993624824 /nfs/dbraw/zinc/62/48/24/993624824.db2.gz PSSWREHEYICWLZ-CXAGYDPISA-N 2 1 412.315 3.579 20 0 HHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000480778989 993645706 /nfs/dbraw/zinc/64/57/06/993645706.db2.gz JIPBEBKVOUVWDE-BWKNWUBXSA-N 2 1 403.574 3.902 20 0 HHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000480781026 993648680 /nfs/dbraw/zinc/64/86/80/993648680.db2.gz PYJAOLCKPIQLPI-GJZUVCINSA-N 2 1 422.617 3.553 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1 ZINC000480883265 993745479 /nfs/dbraw/zinc/74/54/79/993745479.db2.gz KJUIQKDCPJBFSI-GBXCKJPGSA-N 2 1 417.557 3.522 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1 ZINC000480883265 993745491 /nfs/dbraw/zinc/74/54/91/993745491.db2.gz KJUIQKDCPJBFSI-GBXCKJPGSA-N 2 1 417.557 3.522 20 0 HHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)[C@@H](C)C1 ZINC000480908922 993765268 /nfs/dbraw/zinc/76/52/68/993765268.db2.gz LBOAOPMONVJXQX-WMZHIEFXSA-N 2 1 410.562 3.561 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)[C@@H](C)C1 ZINC000480908922 993765279 /nfs/dbraw/zinc/76/52/79/993765279.db2.gz LBOAOPMONVJXQX-WMZHIEFXSA-N 2 1 410.562 3.561 20 0 HHADMP COc1ccc(CCn2c(C)cc(C(=O)C[NH+]3CCC(C[NH+](C)C)CC3)c2C)cc1 ZINC000480942682 993788991 /nfs/dbraw/zinc/78/89/91/993788991.db2.gz QLCDUPXNXXPBJM-UHFFFAOYSA-N 2 1 411.590 3.813 20 0 HHADMP C[C@@H](CCNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000472958145 993890713 /nfs/dbraw/zinc/89/07/13/993890713.db2.gz HPWUIHNYPSVFML-QFIPXVFZSA-N 2 1 422.617 3.903 20 0 HHADMP COc1ccccc1[C@H](C)N(C)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481167832 993999285 /nfs/dbraw/zinc/99/92/85/993999285.db2.gz AKVPHDKSGHKZBB-QTEQDKRBSA-N 2 1 409.574 3.715 20 0 HHADMP COc1ccccc1[C@H](C)N(C)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481167832 993999290 /nfs/dbraw/zinc/99/92/90/993999290.db2.gz AKVPHDKSGHKZBB-QTEQDKRBSA-N 2 1 409.574 3.715 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1C(F)(F)F ZINC000481184283 994015281 /nfs/dbraw/zinc/01/52/81/994015281.db2.gz BDOMPGZMFVUHNG-LMNJBCLMSA-N 2 1 422.491 3.945 20 0 HHADMP CC(C[NH+]1CC[C@@]2(C1)OCc1ccccc12)C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000473155673 994027231 /nfs/dbraw/zinc/02/72/31/994027231.db2.gz AONGFJGVCLWXFC-UIOOFZCWSA-N 2 1 404.554 3.885 20 0 HHADMP CC(C[NH+]1CC[C@@]2(C1)OCc1ccccc12)C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000473155673 994027239 /nfs/dbraw/zinc/02/72/39/994027239.db2.gz AONGFJGVCLWXFC-UIOOFZCWSA-N 2 1 404.554 3.885 20 0 HHADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000481230345 994060790 /nfs/dbraw/zinc/06/07/90/994060790.db2.gz GNQKVDUAZXPQHO-INIZCTEOSA-N 2 1 408.575 3.511 20 0 HHADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(S(=O)(=O)NC3CCCCCC3)c2)C1 ZINC000481318322 994137940 /nfs/dbraw/zinc/13/79/40/994137940.db2.gz KBMSJKTXWQBBKU-MOPGFXCFSA-N 2 1 407.624 3.680 20 0 HHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(S(=O)(=O)NC3CCCCCC3)c2)C1 ZINC000481318322 994137948 /nfs/dbraw/zinc/13/79/48/994137948.db2.gz KBMSJKTXWQBBKU-MOPGFXCFSA-N 2 1 407.624 3.680 20 0 HHADMP CC[C@@H](Cc1ccccc1Br)[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000481835936 994687604 /nfs/dbraw/zinc/68/76/04/994687604.db2.gz IUBQGWVYJWCHHV-IBGZPJMESA-N 2 1 424.427 3.691 20 0 HHADMP CC1(C)CC(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000481906143 994778244 /nfs/dbraw/zinc/77/82/44/994778244.db2.gz CONCBHKCVALYPR-IRLDBZIGSA-N 2 1 412.622 3.992 20 0 HHADMP CC[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481912856 994785382 /nfs/dbraw/zinc/78/53/82/994785382.db2.gz ZJBRDQZTMVENJZ-YJBOKZPZSA-N 2 1 402.004 3.553 20 0 HHADMP CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481912856 994785393 /nfs/dbraw/zinc/78/53/93/994785393.db2.gz ZJBRDQZTMVENJZ-YJBOKZPZSA-N 2 1 402.004 3.553 20 0 HHADMP COC(=O)c1ccc(-c2ccc(C[NH2+]C3CCN(c4cc(C)[nH+]c(C)n4)CC3)o2)cc1 ZINC000482043919 994965702 /nfs/dbraw/zinc/96/57/02/994965702.db2.gz HOHBEZQHFAKDDY-UHFFFAOYSA-N 2 1 420.513 3.899 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)[C@H](C)C1 ZINC000482113779 995061115 /nfs/dbraw/zinc/06/11/15/995061115.db2.gz ZDPWPNAUSQCHQU-XXBNENTESA-N 2 1 410.562 3.561 20 0 HHADMP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000482293372 995272453 /nfs/dbraw/zinc/27/24/53/995272453.db2.gz RYMRGKNNCWDGQS-DQEYMECFSA-N 2 1 420.601 3.944 20 0 HHADMP CC(C)[NH+](CCC[NH2+]Cc1ccc(Br)cc1N1CCOCC1)C(C)C ZINC000474365702 995345996 /nfs/dbraw/zinc/34/59/96/995345996.db2.gz LCNIPKDEMFCJGJ-UHFFFAOYSA-N 2 1 412.416 3.884 20 0 HHADMP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@H](C)c1nc2ccccc2s1 ZINC000474482874 995440970 /nfs/dbraw/zinc/44/09/70/995440970.db2.gz PRDRMFHCMKPNCU-ROUUACIJSA-N 2 1 422.598 3.966 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000474549339 995515587 /nfs/dbraw/zinc/51/55/87/995515587.db2.gz BOFQCLRYNXOSTD-XMMPIXPASA-N 2 1 409.549 3.879 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000474549339 995515591 /nfs/dbraw/zinc/51/55/91/995515591.db2.gz BOFQCLRYNXOSTD-XMMPIXPASA-N 2 1 409.549 3.879 20 0 HHADMP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCCN3CCC[N@@H+](C)CC3)s2)cc1 ZINC000482540870 995549520 /nfs/dbraw/zinc/54/95/20/995549520.db2.gz ZXXKWTBPWJYTBL-QGZVFWFLSA-N 2 1 402.608 3.805 20 0 HHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000482545796 995554409 /nfs/dbraw/zinc/55/44/09/995554409.db2.gz ZJVKPISMNGAMIH-LJQANCHMSA-N 2 1 402.583 3.944 20 0 HHADMP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCC3)cc1 ZINC000482550414 995558240 /nfs/dbraw/zinc/55/82/40/995558240.db2.gz QGWWYLVDJSKVDX-RTBURBONSA-N 2 1 412.603 3.673 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000482562119 995568619 /nfs/dbraw/zinc/56/86/19/995568619.db2.gz PLYBLFRSQAIPML-MISYRCLQSA-N 2 1 411.512 3.909 20 0 HHADMP C[C@H](c1ccc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000474624166 995573702 /nfs/dbraw/zinc/57/37/02/995573702.db2.gz VAULOIHSAVTYBA-YKSBVNFPSA-N 2 1 422.573 3.818 20 0 HHADMP C[C@H](c1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000474624166 995573712 /nfs/dbraw/zinc/57/37/12/995573712.db2.gz VAULOIHSAVTYBA-YKSBVNFPSA-N 2 1 422.573 3.818 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)C1 ZINC000482570404 995575674 /nfs/dbraw/zinc/57/56/74/995575674.db2.gz WJHQWFXYMZBZQZ-MAUKXSAKSA-N 2 1 416.566 3.504 20 0 HHADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c1)CCCO2 ZINC000482618793 995614598 /nfs/dbraw/zinc/61/45/98/995614598.db2.gz IBOYUYBWYKUUIX-FYYLOGMGSA-N 2 1 407.558 3.696 20 0 HHADMP CN(C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000474690309 995633184 /nfs/dbraw/zinc/63/31/84/995633184.db2.gz CRJNBXFQHWAPPP-XMMPIXPASA-N 2 1 409.549 3.913 20 0 HHADMP CN(C(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000474690309 995633191 /nfs/dbraw/zinc/63/31/91/995633191.db2.gz CRJNBXFQHWAPPP-XMMPIXPASA-N 2 1 409.549 3.913 20 0 HHADMP C[C@H](c1nnc(-c2ccccc2F)s1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000482707006 995694830 /nfs/dbraw/zinc/69/48/30/995694830.db2.gz NWBUDHDTFVKSLY-MRXNPFEDSA-N 2 1 404.555 3.982 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)[C@@H](C)C1 ZINC000482718474 995704537 /nfs/dbraw/zinc/70/45/37/995704537.db2.gz DEJNONSBDYGESA-VXKWHMMOSA-N 2 1 409.659 3.527 20 0 HHADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000482809058 995764256 /nfs/dbraw/zinc/76/42/56/995764256.db2.gz CEVUJIVBLNGVCY-APWZRJJASA-N 2 1 415.965 3.897 20 0 HHADMP COc1cc([C@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc(OC)c1OC ZINC000482860738 995798320 /nfs/dbraw/zinc/79/83/20/995798320.db2.gz VFBAGCXTYAGCBP-INIZCTEOSA-N 2 1 417.550 3.880 20 0 HHADMP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)CCC3)cc1 ZINC000482874774 995808588 /nfs/dbraw/zinc/80/85/88/995808588.db2.gz PJRCZSYNAWQUBO-UYAOXDASSA-N 2 1 415.603 3.879 20 0 HHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc(OCC[NH+](C)C)cc3)CC2)oc1C ZINC000482884605 995816978 /nfs/dbraw/zinc/81/69/78/995816978.db2.gz CLTOEOULQNXXNL-IBGZPJMESA-N 3 1 414.594 3.795 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)[C@@H](C)C1 ZINC000482887884 995819411 /nfs/dbraw/zinc/81/94/11/995819411.db2.gz LHVMTGPFMWAHPP-YYDVJCTNSA-N 2 1 409.565 3.656 20 0 HHADMP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474978700 995841175 /nfs/dbraw/zinc/84/11/75/995841175.db2.gz ZORYGVMYIOUGOR-LADGPHEKSA-N 2 1 409.549 3.771 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474978700 995841178 /nfs/dbraw/zinc/84/11/78/995841178.db2.gz ZORYGVMYIOUGOR-LADGPHEKSA-N 2 1 409.549 3.771 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474978700 995841186 /nfs/dbraw/zinc/84/11/86/995841186.db2.gz ZORYGVMYIOUGOR-LADGPHEKSA-N 2 1 409.549 3.771 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474978700 995841189 /nfs/dbraw/zinc/84/11/89/995841189.db2.gz ZORYGVMYIOUGOR-LADGPHEKSA-N 2 1 409.549 3.771 20 0 HHADMP CCN(C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475009680 995866300 /nfs/dbraw/zinc/86/63/00/995866300.db2.gz RNUQKIHOOREAJS-LADGPHEKSA-N 2 1 424.589 3.604 20 0 HHADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000482952623 995877375 /nfs/dbraw/zinc/87/73/75/995877375.db2.gz UJSFOZOUNXMWKZ-IBGZPJMESA-N 2 1 415.603 3.822 20 0 HHADMP Cc1ccc(NCCCNC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)[nH+]c1 ZINC000475125494 995938194 /nfs/dbraw/zinc/93/81/94/995938194.db2.gz SLHJUJYFNTYQEJ-RUZDIDTESA-N 2 1 421.589 3.890 20 0 HHADMP Cc1ccc(NCCCNC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)[nH+]c1 ZINC000475125494 995938201 /nfs/dbraw/zinc/93/82/01/995938201.db2.gz SLHJUJYFNTYQEJ-RUZDIDTESA-N 2 1 421.589 3.890 20 0 HHADMP CC[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[NH+](CC)CC ZINC000475142233 995950147 /nfs/dbraw/zinc/95/01/47/995950147.db2.gz AOYSFJSPSJQALU-IBGZPJMESA-N 2 1 410.400 3.650 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000475145261 995953076 /nfs/dbraw/zinc/95/30/76/995953076.db2.gz KMPYXRYGGZWBIX-XPNTWCBSSA-N 2 1 400.611 3.660 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1)c1ccccc1 ZINC000475150871 995955761 /nfs/dbraw/zinc/95/57/61/995955761.db2.gz LFGAKTARLKOILJ-ZCYQVOJMSA-N 2 1 405.517 3.924 20 0 HHADMP CCN(C(=O)NCc1cccc(C[NH+](C)CC)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475156959 995959021 /nfs/dbraw/zinc/95/90/21/995959021.db2.gz PEDAYGMSBANZQM-DEOSSOPVSA-N 2 1 408.590 3.944 20 0 HHADMP CCN(C(=O)NCc1cccc(C[N@H+](C)CC)c1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475156959 995959024 /nfs/dbraw/zinc/95/90/24/995959024.db2.gz PEDAYGMSBANZQM-DEOSSOPVSA-N 2 1 408.590 3.944 20 0 HHADMP CCN(C(=O)NCc1cccc(C[N@@H+](C)CC)c1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475156959 995959027 /nfs/dbraw/zinc/95/90/27/995959027.db2.gz PEDAYGMSBANZQM-DEOSSOPVSA-N 2 1 408.590 3.944 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)c1ccccc1 ZINC000475158708 995959922 /nfs/dbraw/zinc/95/99/22/995959922.db2.gz ZPZPNRWMNBDVFQ-RBUKOAKNSA-N 2 1 411.443 3.828 20 0 HHADMP C[C@@H](CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000475192528 995986944 /nfs/dbraw/zinc/98/69/44/995986944.db2.gz UEAZVRISKMRMCU-FQEVSTJZSA-N 2 1 400.611 3.993 20 0 HHADMP Brc1cnn(CCCC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000475214677 996001689 /nfs/dbraw/zinc/00/16/89/996001689.db2.gz QQELQMIWDSYGQA-SESVDKBCSA-N 2 1 417.395 3.926 20 0 HHADMP Cc1c([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cnn1-c1cccc(Cl)c1 ZINC000483189671 996027671 /nfs/dbraw/zinc/02/76/71/996027671.db2.gz CAFUHRXTYVKGTF-WMZOPIPTSA-N 2 1 402.970 3.986 20 0 HHADMP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475278689 996041174 /nfs/dbraw/zinc/04/11/74/996041174.db2.gz JJJPVMNBOFWTDD-UNMCSNQZSA-N 2 1 419.569 3.953 20 0 HHADMP C[C@@H](CC[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)OCc1ccccc1 ZINC000475315565 996065122 /nfs/dbraw/zinc/06/51/22/996065122.db2.gz AMKUZOMHCCYXHI-FDFHNCONSA-N 2 1 404.595 3.572 20 0 HHADMP C[C@@H](CC[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)OCc1ccccc1 ZINC000475315565 996065130 /nfs/dbraw/zinc/06/51/30/996065130.db2.gz AMKUZOMHCCYXHI-FDFHNCONSA-N 2 1 404.595 3.572 20 0 HHADMP O[C@H](COCc1ccccc1F)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483484264 996210921 /nfs/dbraw/zinc/21/09/21/996210921.db2.gz IZQHNRFOFAAMBS-UMXIMWEHSA-N 2 1 412.549 3.690 20 0 HHADMP O[C@H](COCc1ccccc1F)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483484264 996210925 /nfs/dbraw/zinc/21/09/25/996210925.db2.gz IZQHNRFOFAAMBS-UMXIMWEHSA-N 2 1 412.549 3.690 20 0 HHADMP O[C@H](COCc1ccccc1F)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483484264 996210930 /nfs/dbraw/zinc/21/09/30/996210930.db2.gz IZQHNRFOFAAMBS-UMXIMWEHSA-N 2 1 412.549 3.690 20 0 HHADMP O[C@H](COCc1ccccc1F)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483484264 996210934 /nfs/dbraw/zinc/21/09/34/996210934.db2.gz IZQHNRFOFAAMBS-UMXIMWEHSA-N 2 1 412.549 3.690 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C[C@@H]1C ZINC000483692271 996331796 /nfs/dbraw/zinc/33/17/96/996331796.db2.gz LFHINYXDWLSOAU-NZQKXSOJSA-N 2 1 400.611 3.933 20 0 HHADMP COc1ccccc1COC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475737278 996336007 /nfs/dbraw/zinc/33/60/07/996336007.db2.gz LBPKYTAHOAQBKC-AHWVRZQESA-N 2 1 424.585 3.561 20 0 HHADMP COc1ccccc1COC[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475737278 996336012 /nfs/dbraw/zinc/33/60/12/996336012.db2.gz LBPKYTAHOAQBKC-AHWVRZQESA-N 2 1 424.585 3.561 20 0 HHADMP COc1ccccc1COC[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475737278 996336016 /nfs/dbraw/zinc/33/60/16/996336016.db2.gz LBPKYTAHOAQBKC-AHWVRZQESA-N 2 1 424.585 3.561 20 0 HHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cccc(NS(C)(=O)=O)c1 ZINC000483741202 996360195 /nfs/dbraw/zinc/36/01/95/996360195.db2.gz HHXOIQXYPFXOEQ-RIFZZMRRSA-N 2 1 407.605 3.853 20 0 HHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cccc(NS(C)(=O)=O)c1 ZINC000483741202 996360199 /nfs/dbraw/zinc/36/01/99/996360199.db2.gz HHXOIQXYPFXOEQ-RIFZZMRRSA-N 2 1 407.605 3.853 20 0 HHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cccc(NS(C)(=O)=O)c1 ZINC000483741203 996360346 /nfs/dbraw/zinc/36/03/46/996360346.db2.gz HHXOIQXYPFXOEQ-VPWXQRGCSA-N 2 1 407.605 3.853 20 0 HHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cccc(NS(C)(=O)=O)c1 ZINC000483741203 996360351 /nfs/dbraw/zinc/36/03/51/996360351.db2.gz HHXOIQXYPFXOEQ-VPWXQRGCSA-N 2 1 407.605 3.853 20 0 HHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCC[NH+](C)Cc2ccc(F)cc2)C1 ZINC000484024149 996527712 /nfs/dbraw/zinc/52/77/12/996527712.db2.gz IEBCPJZQHIZJIL-PZJWPPBQSA-N 2 1 404.574 3.554 20 0 HHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000484024149 996527717 /nfs/dbraw/zinc/52/77/17/996527717.db2.gz IEBCPJZQHIZJIL-PZJWPPBQSA-N 2 1 404.574 3.554 20 0 HHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000484024149 996527722 /nfs/dbraw/zinc/52/77/22/996527722.db2.gz IEBCPJZQHIZJIL-PZJWPPBQSA-N 2 1 404.574 3.554 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000476036807 996558494 /nfs/dbraw/zinc/55/84/94/996558494.db2.gz VJPVMUCSUTXIFV-JOCHJYFZSA-N 2 1 411.594 3.744 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000476036807 996558509 /nfs/dbraw/zinc/55/85/09/996558509.db2.gz VJPVMUCSUTXIFV-JOCHJYFZSA-N 2 1 411.594 3.744 20 0 HHADMP C[C@H]([NH2+]C1(CNC2CC[NH+](Cc3ccccn3)CC2)CCOCC1)c1ccccc1 ZINC000484149351 996600146 /nfs/dbraw/zinc/60/01/46/996600146.db2.gz WTBUNIWSTQAJCH-NRFANRHFSA-N 2 1 408.590 3.536 20 0 HHADMP C[NH+](C)Cc1cccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000476294198 996736219 /nfs/dbraw/zinc/73/62/19/996736219.db2.gz FWUJZYBUSDVOEX-CWAQXLGLSA-N 2 1 406.574 3.743 20 0 HHADMP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)C2)c1 ZINC000484468588 996787911 /nfs/dbraw/zinc/78/79/11/996787911.db2.gz CBURAPDKZNIBHY-QYXIYQDXSA-N 2 1 409.574 3.783 20 0 HHADMP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)C2)c1 ZINC000484468588 996787918 /nfs/dbraw/zinc/78/79/18/996787918.db2.gz CBURAPDKZNIBHY-QYXIYQDXSA-N 2 1 409.574 3.783 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccccc2Br)[C@H](C)C1 ZINC000484488268 996809910 /nfs/dbraw/zinc/80/99/10/996809910.db2.gz UVZDEAJGKWNMBO-AOIWGVFYSA-N 2 1 413.400 3.943 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc(F)c1 ZINC000476575783 997075341 /nfs/dbraw/zinc/07/53/41/997075341.db2.gz ZYQRISXNDWHSRI-UCBGAZFYSA-N 2 1 424.564 3.923 20 0 HHADMP COc1cccc([C@@H](CNC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)[NH+]2CCCC2)c1 ZINC000476624012 997143840 /nfs/dbraw/zinc/14/38/40/997143840.db2.gz HZCOJVPRTFKCRQ-HYBUGGRVSA-N 2 1 424.589 3.652 20 0 HHADMP C[C@@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000476681967 997221136 /nfs/dbraw/zinc/22/11/36/997221136.db2.gz RMPKETKHVIOQIG-LAUBAEHRSA-N 2 1 402.970 3.762 20 0 HHADMP C[C@@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000476681967 997221164 /nfs/dbraw/zinc/22/11/64/997221164.db2.gz RMPKETKHVIOQIG-LAUBAEHRSA-N 2 1 402.970 3.762 20 0 HHADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000476781622 997339169 /nfs/dbraw/zinc/33/91/69/997339169.db2.gz SFRQSLFMWQDCIK-OAQYLSRUSA-N 2 1 420.479 3.810 20 0 HHADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000476781622 997339172 /nfs/dbraw/zinc/33/91/72/997339172.db2.gz SFRQSLFMWQDCIK-OAQYLSRUSA-N 2 1 420.479 3.810 20 0 HHADMP COc1ccccc1[C@H](C)NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476972119 997590938 /nfs/dbraw/zinc/59/09/38/997590938.db2.gz KLYDQHIQKWLLCJ-UXHICEINSA-N 2 1 401.595 3.849 20 0 HHADMP COc1ccccc1[C@H](C)NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476972119 997590952 /nfs/dbraw/zinc/59/09/52/997590952.db2.gz KLYDQHIQKWLLCJ-UXHICEINSA-N 2 1 401.595 3.849 20 0 HHADMP COc1ccc(COC[C@H](O)C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000476975031 997594412 /nfs/dbraw/zinc/59/44/12/997594412.db2.gz QMGDHNFBZLOKSI-NFBKMPQASA-N 2 1 404.595 3.549 20 0 HHADMP COc1cccc(COC[C@@H](O)C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000476986392 997610783 /nfs/dbraw/zinc/61/07/83/997610783.db2.gz PTJXDNBQLKAIMA-REWPJTCUSA-N 2 1 404.595 3.549 20 0 HHADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000485395653 997823476 /nfs/dbraw/zinc/82/34/76/997823476.db2.gz GLSCRBZWBAWCDA-ZRCGQRJVSA-N 2 1 400.611 3.648 20 0 HHADMP CC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000485395653 997823483 /nfs/dbraw/zinc/82/34/83/997823483.db2.gz GLSCRBZWBAWCDA-ZRCGQRJVSA-N 2 1 400.611 3.648 20 0 HHADMP CC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000485395653 997823500 /nfs/dbraw/zinc/82/35/00/997823500.db2.gz GLSCRBZWBAWCDA-ZRCGQRJVSA-N 2 1 400.611 3.648 20 0 HHADMP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N1CCc2sccc2C1 ZINC000485477328 997926466 /nfs/dbraw/zinc/92/64/66/997926466.db2.gz JJAHOBWRVNQNKV-UHFFFAOYSA-N 2 1 409.599 3.621 20 0 HHADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc[nH+]1 ZINC000486011558 998455578 /nfs/dbraw/zinc/45/55/78/998455578.db2.gz YGTRXCAHQQOQJM-SQOUVECCSA-N 2 1 424.593 3.616 20 0 HHADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc[nH+]1 ZINC000486011558 998455581 /nfs/dbraw/zinc/45/55/81/998455581.db2.gz YGTRXCAHQQOQJM-SQOUVECCSA-N 2 1 424.593 3.616 20 0 HHADMP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000477930435 998664641 /nfs/dbraw/zinc/66/46/41/998664641.db2.gz AHWWFJIRCBMIOL-LJQANCHMSA-N 2 1 407.624 3.634 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000478035082 998726454 /nfs/dbraw/zinc/72/64/54/998726454.db2.gz CWJIIKUUPZUHFD-PKOBYXMFSA-N 2 1 403.533 3.764 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)NCC(C)(C)C[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000478408803 998942289 /nfs/dbraw/zinc/94/22/89/998942289.db2.gz BFIYVDNIWXGIIG-IRLDBZIGSA-N 2 1 400.611 3.803 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000478416022 998946322 /nfs/dbraw/zinc/94/63/22/998946322.db2.gz INJLRWLZPBJFPK-XLIONFOSSA-N 2 1 424.992 3.893 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000487024703 999039952 /nfs/dbraw/zinc/03/99/52/999039952.db2.gz ADNAMLYLFKREKD-HUVFLSCGSA-N 2 1 408.590 3.808 20 0 HHADMP C[C@@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487061359 999051275 /nfs/dbraw/zinc/05/12/75/999051275.db2.gz DAZBASDFJPKKLT-WIYYLYMNSA-N 2 1 412.553 3.597 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N[C@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)[nH+]1 ZINC000487129308 999076217 /nfs/dbraw/zinc/07/62/17/999076217.db2.gz QJKAUOQIQWRGLO-IRLDBZIGSA-N 2 1 421.589 3.569 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N[C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)[nH+]1 ZINC000487129308 999076221 /nfs/dbraw/zinc/07/62/21/999076221.db2.gz QJKAUOQIQWRGLO-IRLDBZIGSA-N 2 1 421.589 3.569 20 0 HHADMP Cc1cc(N2CCC([NH2+][C@H]3CCCc4nn(-c5ccccc5)cc43)CC2)nc(C)[nH+]1 ZINC000479060740 999274253 /nfs/dbraw/zinc/27/42/53/999274253.db2.gz NMCHRQLOZIVYEA-QFIPXVFZSA-N 2 1 402.546 3.915 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000479063685 999275822 /nfs/dbraw/zinc/27/58/22/999275822.db2.gz PVNBFMFQHBYCHH-MOPGFXCFSA-N 2 1 403.592 3.512 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000479063685 999275828 /nfs/dbraw/zinc/27/58/28/999275828.db2.gz PVNBFMFQHBYCHH-MOPGFXCFSA-N 2 1 403.592 3.512 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000479063692 999276056 /nfs/dbraw/zinc/27/60/56/999276056.db2.gz PVNBFMFQHBYCHH-RTBURBONSA-N 2 1 403.592 3.512 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000479063692 999276060 /nfs/dbraw/zinc/27/60/60/999276060.db2.gz PVNBFMFQHBYCHH-RTBURBONSA-N 2 1 403.592 3.512 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)cc1 ZINC000479069524 999279487 /nfs/dbraw/zinc/27/94/87/999279487.db2.gz YVZOGKMKNFUTGC-DLBZAZTESA-N 2 1 412.559 3.857 20 0 HHADMP CC(C)(CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000479073368 999280909 /nfs/dbraw/zinc/28/09/09/999280909.db2.gz XUFUTZMPOHJVQL-XZOQPEGZSA-N 2 1 412.622 3.805 20 0 HHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)CC1 ZINC000479356796 999401063 /nfs/dbraw/zinc/40/10/63/999401063.db2.gz GFAAMTGOFOCKOV-UHFFFAOYSA-N 2 1 423.605 3.816 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000488474396 999499284 /nfs/dbraw/zinc/49/92/84/999499284.db2.gz YJDJGKADWBNAQB-IEZKXTBUSA-N 2 1 405.586 3.925 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000488474396 999499285 /nfs/dbraw/zinc/49/92/85/999499285.db2.gz YJDJGKADWBNAQB-IEZKXTBUSA-N 2 1 405.586 3.925 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000488474396 999499288 /nfs/dbraw/zinc/49/92/88/999499288.db2.gz YJDJGKADWBNAQB-IEZKXTBUSA-N 2 1 405.586 3.925 20 0 HHADMP C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488648223 999557668 /nfs/dbraw/zinc/55/76/68/999557668.db2.gz XKJBYELSZJEQHR-IEEQIXEPSA-N 2 1 410.606 3.555 20 0 HHADMP C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488648223 999557671 /nfs/dbraw/zinc/55/76/71/999557671.db2.gz XKJBYELSZJEQHR-IEEQIXEPSA-N 2 1 410.606 3.555 20 0 HHADMP C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488648223 999557674 /nfs/dbraw/zinc/55/76/74/999557674.db2.gz XKJBYELSZJEQHR-IEEQIXEPSA-N 2 1 410.606 3.555 20 0 HHADMP C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488648220 999557703 /nfs/dbraw/zinc/55/77/03/999557703.db2.gz XKJBYELSZJEQHR-AYEXWZOKSA-N 2 1 410.606 3.555 20 0 HHADMP C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488648220 999557707 /nfs/dbraw/zinc/55/77/07/999557707.db2.gz XKJBYELSZJEQHR-AYEXWZOKSA-N 2 1 410.606 3.555 20 0 HHADMP C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488648220 999557711 /nfs/dbraw/zinc/55/77/11/999557711.db2.gz XKJBYELSZJEQHR-AYEXWZOKSA-N 2 1 410.606 3.555 20 0 HHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000479913648 999646746 /nfs/dbraw/zinc/64/67/46/999646746.db2.gz OWALXMYFWOUCIN-PMACEKPBSA-N 2 1 407.624 3.776 20 0 HHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000479913648 999646748 /nfs/dbraw/zinc/64/67/48/999646748.db2.gz OWALXMYFWOUCIN-PMACEKPBSA-N 2 1 407.624 3.776 20 0 HHADMP C[C@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000488963842 999659025 /nfs/dbraw/zinc/65/90/25/999659025.db2.gz XDMMEHPJLMYCCR-MVBJEAIPSA-N 2 1 410.606 3.698 20 0 HHADMP C[C@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH+](C2CCC2)C1 ZINC000488963842 999659026 /nfs/dbraw/zinc/65/90/26/999659026.db2.gz XDMMEHPJLMYCCR-MVBJEAIPSA-N 2 1 410.606 3.698 20 0 HHADMP C[C@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH+](C2CCC2)C1 ZINC000488963842 999659028 /nfs/dbraw/zinc/65/90/28/999659028.db2.gz XDMMEHPJLMYCCR-MVBJEAIPSA-N 2 1 410.606 3.698 20 0 HHADMP COc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)N2CCOCC2)cc1 ZINC000480075197 999710395 /nfs/dbraw/zinc/71/03/95/999710395.db2.gz ZQXPIMOTGGFBKN-NYMACZPPSA-N 2 1 423.601 3.569 20 0 HHADMP COc1ccc(C[N@@H+](C)[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000489158355 999713608 /nfs/dbraw/zinc/71/36/08/999713608.db2.gz RMCVSYYXJPINFG-HXUWFJFHSA-N 2 1 409.574 3.605 20 0 HHADMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480145020 999729734 /nfs/dbraw/zinc/72/97/34/999729734.db2.gz GWKCFMDWXFAQAR-LJQANCHMSA-N 2 1 407.624 3.824 20 0 HHADMP C[N@H+]1CC[C@]2(CCN(C(=O)NCCC[NH+](Cc3ccccc3)Cc3ccccc3)C2)C1 ZINC000489442885 999768400 /nfs/dbraw/zinc/76/84/00/999768400.db2.gz HGBNCQVKRPRSGZ-SANMLTNESA-N 2 1 420.601 3.816 20 0 HHADMP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)c1 ZINC000480339102 999774988 /nfs/dbraw/zinc/77/49/88/999774988.db2.gz VSYICZKQBLOWJE-SFHVURJKSA-N 2 1 423.376 3.519 20 0 HHADMP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)cc1 ZINC000480339631 999774993 /nfs/dbraw/zinc/77/49/93/999774993.db2.gz XCCVDVJHJIZTGU-SFHVURJKSA-N 2 1 423.376 3.519 20 0 HHADMP COc1cccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)[NH+](C)C)c1 ZINC000489520251 999783136 /nfs/dbraw/zinc/78/31/36/999783136.db2.gz CLPPYHMNTAKVCU-IEXUWNMDSA-N 2 1 424.589 3.508 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000489534023 999786432 /nfs/dbraw/zinc/78/64/32/999786432.db2.gz NJYFLSUNSJJFII-OFNKIYASSA-N 2 1 400.611 3.660 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000489534025 999786489 /nfs/dbraw/zinc/78/64/89/999786489.db2.gz NJYFLSUNSJJFII-REWPJTCUSA-N 2 1 400.611 3.660 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)[nH+]1 ZINC000489535817 999786968 /nfs/dbraw/zinc/78/69/68/999786968.db2.gz WWOBIAQERKCFEG-CVDCTZTESA-N 2 1 421.589 3.569 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)CC2)[nH+]1 ZINC000489535817 999786969 /nfs/dbraw/zinc/78/69/69/999786969.db2.gz WWOBIAQERKCFEG-CVDCTZTESA-N 2 1 421.589 3.569 20 0 HHADMP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)ccc1S(C)(=O)=O ZINC000480464083 999805122 /nfs/dbraw/zinc/80/51/22/999805122.db2.gz HEZMXAWCAUQZNI-SFHVURJKSA-N 2 1 416.587 3.935 20 0 HHADMP COc1ccccc1[C@H](C)NC(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489632190 999806431 /nfs/dbraw/zinc/80/64/31/999806431.db2.gz GHBCLQJGBRGUSO-FQEVSTJZSA-N 2 1 409.574 3.716 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)[nH+]c1 ZINC000489632064 999806479 /nfs/dbraw/zinc/80/64/79/999806479.db2.gz VGDDGPDPQRYRAY-OFNKIYASSA-N 2 1 421.589 3.569 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)CC2)[nH+]c1 ZINC000489632064 999806481 /nfs/dbraw/zinc/80/64/81/999806481.db2.gz VGDDGPDPQRYRAY-OFNKIYASSA-N 2 1 421.589 3.569 20 0 HHADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)NCC[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000489742541 999829146 /nfs/dbraw/zinc/82/91/46/999829146.db2.gz JGPRSOLCMDPXPT-SKWRHMBASA-N 2 1 412.622 3.659 20 0 HHADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000489742541 999829147 /nfs/dbraw/zinc/82/91/47/999829147.db2.gz JGPRSOLCMDPXPT-SKWRHMBASA-N 2 1 412.622 3.659 20 0 HHADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000489742541 999829148 /nfs/dbraw/zinc/82/91/48/999829148.db2.gz JGPRSOLCMDPXPT-SKWRHMBASA-N 2 1 412.622 3.659 20 0 HHADMP COc1cc(C)cc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000489754783 999831736 /nfs/dbraw/zinc/83/17/36/999831736.db2.gz SZHAJVAOSSSYAS-UHFFFAOYSA-N 2 1 416.610 3.972 20 0 HHADMP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000480602977 999838259 /nfs/dbraw/zinc/83/82/59/999838259.db2.gz QVTVGOFFACSMMH-RTBURBONSA-N 2 1 415.603 3.820 20 0 HHADMP CC(C)COc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000480632348 999846049 /nfs/dbraw/zinc/84/60/49/999846049.db2.gz UNNMLAMKURPRFD-HXUWFJFHSA-N 2 1 409.574 3.960 20 0 HHADMP COc1cccc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000480640877 999848829 /nfs/dbraw/zinc/84/88/29/999848829.db2.gz WBFASOGENLLNAY-UHFFFAOYSA-N 2 1 402.542 3.702 20 0 HHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000480693684 999861123 /nfs/dbraw/zinc/86/11/23/999861123.db2.gz MUSVZGUJUYAFKQ-LJQANCHMSA-N 2 1 424.589 3.642 20 0 HHADMP CC[N@H+](C)[C@H](C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccccc1 ZINC000490088154 999891005 /nfs/dbraw/zinc/89/10/05/999891005.db2.gz FLIQKXZTRFXZDP-DEOSSOPVSA-N 2 1 406.574 3.850 20 0 HHADMP CC[N@@H+](C)[C@H](C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccccc1 ZINC000490088154 999891006 /nfs/dbraw/zinc/89/10/06/999891006.db2.gz FLIQKXZTRFXZDP-DEOSSOPVSA-N 2 1 406.574 3.850 20 0 HHADMP C[C@@H]1C[N@@H+](CCOC(c2ccccc2)c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490654856 999989302 /nfs/dbraw/zinc/98/93/02/999989302.db2.gz ZALHIRQLZDCHQD-RCZVLFRGSA-N 2 1 407.602 3.750 20 0 HHADMP C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490825909 1000012477 /nfs/dbraw/zinc/01/24/77/1000012477.db2.gz LKVWKXYOPCFHSA-SQJMNOBHSA-N 2 1 405.586 3.925 20 0 HHADMP C[C@H](NC(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490825832 1000012491 /nfs/dbraw/zinc/01/24/91/1000012491.db2.gz LCPYLWVTKCOFLL-FPOVZHCZSA-N 2 1 410.562 3.659 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000491029432 1000036507 /nfs/dbraw/zinc/03/65/07/1000036507.db2.gz IWBWIELVNIGFCL-OPAMFIHVSA-N 2 1 415.534 3.749 20 0 HHADMP CC(C)Oc1ccc([C@@H](CNC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)[NH+](C)C)cc1 ZINC000491082483 1000043573 /nfs/dbraw/zinc/04/35/73/1000043573.db2.gz WOTBZWQZZMTLDF-AUSIDOKSSA-N 2 1 416.610 3.592 20 0 HHADMP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000493180284 1000161732 /nfs/dbraw/zinc/16/17/32/1000161732.db2.gz KSXIXPGCMQTKRQ-MRXNPFEDSA-N 2 1 417.485 3.833 20 0 HHADMP O[C@@]1(C[NH2+]C2CC(c3ccc(Br)cc3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000493959713 1000238238 /nfs/dbraw/zinc/23/82/38/1000238238.db2.gz FXGBEFUAMQSUJR-KITAHSCOSA-N 2 1 415.375 3.922 20 0 HHADMP O[C@@]1(C[NH2+]C2CC(c3ccc(Br)cc3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000493959713 1000238243 /nfs/dbraw/zinc/23/82/43/1000238243.db2.gz FXGBEFUAMQSUJR-KITAHSCOSA-N 2 1 415.375 3.922 20 0 HHADMP O[C@]1(C[NH2+]Cc2ccc(Br)c(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000494107269 1000310895 /nfs/dbraw/zinc/31/08/95/1000310895.db2.gz MBYNRIGHUBNAJB-IBGZPJMESA-N 2 1 409.755 3.829 20 0 HHADMP O[C@]1(C[NH2+]Cc2ccc(Br)c(Cl)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000494107269 1000310907 /nfs/dbraw/zinc/31/09/07/1000310907.db2.gz MBYNRIGHUBNAJB-IBGZPJMESA-N 2 1 409.755 3.829 20 0 HHADMP O[C@@]1(C[NH2+]Cc2ccc(Br)c(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000494107271 1000311019 /nfs/dbraw/zinc/31/10/19/1000311019.db2.gz MBYNRIGHUBNAJB-LJQANCHMSA-N 2 1 409.755 3.829 20 0 HHADMP O[C@@]1(C[NH2+]Cc2ccc(Br)c(Cl)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000494107271 1000311027 /nfs/dbraw/zinc/31/10/27/1000311027.db2.gz MBYNRIGHUBNAJB-LJQANCHMSA-N 2 1 409.755 3.829 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494129440 1000321946 /nfs/dbraw/zinc/32/19/46/1000321946.db2.gz XYOYSPXCEXBNJO-YADHBBJMSA-N 2 1 401.501 3.980 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494129440 1000321950 /nfs/dbraw/zinc/32/19/50/1000321950.db2.gz XYOYSPXCEXBNJO-YADHBBJMSA-N 2 1 401.501 3.980 20 0 HHADMP C[NH+](C)CCOc1cccc(NC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1 ZINC000504737745 1000348450 /nfs/dbraw/zinc/34/84/50/1000348450.db2.gz OWTWNQGUQLUSKC-UHFFFAOYSA-N 2 1 410.562 3.585 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000504738650 1000348833 /nfs/dbraw/zinc/34/88/33/1000348833.db2.gz YRYRDZOHZCUFGQ-JOCHJYFZSA-N 2 1 412.553 3.565 20 0 HHADMP CC[NH+](CC)Cc1cccc(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)c1 ZINC000494409472 1000478329 /nfs/dbraw/zinc/47/83/29/1000478329.db2.gz BPRBOWFSZSOXCF-UHFFFAOYSA-N 2 1 413.472 3.977 20 0 HHADMP C[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@@H+]1CCc2sccc2C1 ZINC000504976217 1000482897 /nfs/dbraw/zinc/48/28/97/1000482897.db2.gz CAQSTZFJWVVRLF-SFHVURJKSA-N 2 1 412.603 3.590 20 0 HHADMP C[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@H+]1CCc2sccc2C1 ZINC000504976217 1000482901 /nfs/dbraw/zinc/48/29/01/1000482901.db2.gz CAQSTZFJWVVRLF-SFHVURJKSA-N 2 1 412.603 3.590 20 0 HHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000504987757 1000490379 /nfs/dbraw/zinc/49/03/79/1000490379.db2.gz CILVKBWRIREVDR-GOSISDBHSA-N 2 1 414.619 3.836 20 0 HHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000504987757 1000490385 /nfs/dbraw/zinc/49/03/85/1000490385.db2.gz CILVKBWRIREVDR-GOSISDBHSA-N 2 1 414.619 3.836 20 0 HHADMP CC1CC[NH+](C2CCC(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)CC2)CC1 ZINC000505067219 1000534012 /nfs/dbraw/zinc/53/40/12/1000534012.db2.gz ZEEUHMBEFIXYLY-XPPIMPSXSA-N 2 1 401.570 3.949 20 0 HHADMP CC1CC[NH+](C2CCC(NC(=O)[C@H]3CCC[N@H+]3Cc3ccc(F)cc3)CC2)CC1 ZINC000505067219 1000534017 /nfs/dbraw/zinc/53/40/17/1000534017.db2.gz ZEEUHMBEFIXYLY-XPPIMPSXSA-N 2 1 401.570 3.949 20 0 HHADMP FC(F)(F)c1ccc(Cn2cc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)cn2)cc1 ZINC000494577717 1000562253 /nfs/dbraw/zinc/56/22/53/1000562253.db2.gz FILHTGMMMQYCSR-SFHVURJKSA-N 2 1 422.495 3.541 20 0 HHADMP C[NH+](C)Cc1cccc(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000505415041 1000757344 /nfs/dbraw/zinc/75/73/44/1000757344.db2.gz MSRDOXBAUOCFLL-OAQYLSRUSA-N 2 1 401.501 3.522 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccsc1 ZINC000505604624 1000930166 /nfs/dbraw/zinc/93/01/66/1000930166.db2.gz SPAYDBHRJVLIDW-RBUKOAKNSA-N 2 1 407.530 3.624 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccccc1Br ZINC000495698670 1001062971 /nfs/dbraw/zinc/06/29/71/1001062971.db2.gz CHXNQEOJRHXHSD-HNNXBMFYSA-N 2 1 404.352 3.591 20 0 HHADMP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000505995945 1001151076 /nfs/dbraw/zinc/15/10/76/1001151076.db2.gz KKENSRHRGWIDQW-PMACEKPBSA-N 2 1 416.569 3.710 20 0 HHADMP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000505995945 1001151081 /nfs/dbraw/zinc/15/10/81/1001151081.db2.gz KKENSRHRGWIDQW-PMACEKPBSA-N 2 1 416.569 3.710 20 0 HHADMP CN(c1ccccc1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1)C1CC[NH+](C)CC1 ZINC000506152495 1001250986 /nfs/dbraw/zinc/25/09/86/1001250986.db2.gz FOCDZMOSPBHBRG-OAQYLSRUSA-N 2 1 418.589 3.639 20 0 HHADMP Cc1[nH+]ccc(N2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)c1Cl ZINC000497129795 1001273162 /nfs/dbraw/zinc/27/31/62/1001273162.db2.gz NNFBTFJEYBDQPN-UHFFFAOYSA-N 2 1 400.954 3.508 20 0 HHADMP C[N@@H+](CCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)Cc1ccc(F)cc1 ZINC000506324594 1001354661 /nfs/dbraw/zinc/35/46/61/1001354661.db2.gz DIJPIANFMWCYQD-UHFFFAOYSA-N 2 1 404.574 3.555 20 0 HHADMP CN(CC[NH+]1CCCC1)C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000497594579 1001451152 /nfs/dbraw/zinc/45/11/52/1001451152.db2.gz AXNWHRMWVFFXHC-OAQYLSRUSA-N 2 1 412.603 3.585 20 0 HHADMP CN(CC[NH+]1CCCC1)C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000497594579 1001451156 /nfs/dbraw/zinc/45/11/56/1001451156.db2.gz AXNWHRMWVFFXHC-OAQYLSRUSA-N 2 1 412.603 3.585 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000497614452 1001459405 /nfs/dbraw/zinc/45/94/05/1001459405.db2.gz VZOGTBVZOALAJJ-SQJMNOBHSA-N 2 1 420.601 3.780 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000497614452 1001459406 /nfs/dbraw/zinc/45/94/06/1001459406.db2.gz VZOGTBVZOALAJJ-SQJMNOBHSA-N 2 1 420.601 3.780 20 0 HHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccccc2OCC(=O)N2CCCC2)CC1 ZINC000506886934 1001580765 /nfs/dbraw/zinc/58/07/65/1001580765.db2.gz YWXMHZDBVTUEBI-UHFFFAOYSA-N 2 1 401.595 3.632 20 0 HHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000498031330 1001614000 /nfs/dbraw/zinc/61/40/00/1001614000.db2.gz VFXJYNMFKMHWMY-WIYYLYMNSA-N 2 1 418.607 3.888 20 0 HHADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000498031330 1001614004 /nfs/dbraw/zinc/61/40/04/1001614004.db2.gz VFXJYNMFKMHWMY-WIYYLYMNSA-N 2 1 418.607 3.888 20 0 HHADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000498031330 1001614006 /nfs/dbraw/zinc/61/40/06/1001614006.db2.gz VFXJYNMFKMHWMY-WIYYLYMNSA-N 2 1 418.607 3.888 20 0 HHADMP CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c2cccs2)CC1 ZINC000498128999 1001653897 /nfs/dbraw/zinc/65/38/97/1001653897.db2.gz XWSNDZCNSOGXDG-HSALFYBXSA-N 2 1 404.624 3.647 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000506951171 1001724488 /nfs/dbraw/zinc/72/44/88/1001724488.db2.gz MSGRFDBVOVUBPT-KNKQGSTJSA-N 2 1 404.574 3.724 20 0 HHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000506952211 1001725215 /nfs/dbraw/zinc/72/52/15/1001725215.db2.gz NUKVCIOAFQTVDI-FCHUYYIVSA-N 2 1 412.622 3.731 20 0 HHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000506952211 1001725223 /nfs/dbraw/zinc/72/52/23/1001725223.db2.gz NUKVCIOAFQTVDI-FCHUYYIVSA-N 2 1 412.622 3.731 20 0 HHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000506952211 1001725229 /nfs/dbraw/zinc/72/52/29/1001725229.db2.gz NUKVCIOAFQTVDI-FCHUYYIVSA-N 2 1 412.622 3.731 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)CC(C)C ZINC000498443975 1001873003 /nfs/dbraw/zinc/87/30/03/1001873003.db2.gz NLFQMVFCWLGLOK-MZKRTTBSSA-N 2 1 403.611 3.782 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)CC(C)C ZINC000498443975 1001873026 /nfs/dbraw/zinc/87/30/26/1001873026.db2.gz NLFQMVFCWLGLOK-MZKRTTBSSA-N 2 1 403.611 3.782 20 0 HHADMP C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000498460184 1001887764 /nfs/dbraw/zinc/88/77/64/1001887764.db2.gz AWHHCWNZROEJNY-HXUWFJFHSA-N 2 1 413.537 3.754 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCCC1 ZINC000498618102 1002018784 /nfs/dbraw/zinc/01/87/84/1002018784.db2.gz MBWNPKBSVCRBNA-DHIUTWEWSA-N 2 1 407.558 3.613 20 0 HHADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000507383258 1002038820 /nfs/dbraw/zinc/03/88/20/1002038820.db2.gz SJMCWZXNZQVDOW-MZKRTTBSSA-N 2 1 400.611 3.696 20 0 HHADMP CC[NH+]1CCC[C@@H](CNC(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000507383258 1002038840 /nfs/dbraw/zinc/03/88/40/1002038840.db2.gz SJMCWZXNZQVDOW-MZKRTTBSSA-N 2 1 400.611 3.696 20 0 HHADMP CC[NH+]1CCC[C@@H](CNC(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000507383258 1002038829 /nfs/dbraw/zinc/03/88/29/1002038829.db2.gz SJMCWZXNZQVDOW-MZKRTTBSSA-N 2 1 400.611 3.696 20 0 HHADMP CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000498665377 1002059678 /nfs/dbraw/zinc/05/96/78/1002059678.db2.gz YKDNKNOVOYUWFV-LEWJYISDSA-N 2 1 408.537 3.661 20 0 HHADMP CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000498665377 1002059692 /nfs/dbraw/zinc/05/96/92/1002059692.db2.gz YKDNKNOVOYUWFV-LEWJYISDSA-N 2 1 408.537 3.661 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N2CCC[NH+](C(C)C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000498666331 1002059946 /nfs/dbraw/zinc/05/99/46/1002059946.db2.gz HMLVORJNZXZXST-NHCUHLMSSA-N 2 1 408.537 3.614 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N2CCC[NH+](C(C)C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000498666331 1002059955 /nfs/dbraw/zinc/05/99/55/1002059955.db2.gz HMLVORJNZXZXST-NHCUHLMSSA-N 2 1 408.537 3.614 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N2CCC[N@@H+](C(C)C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000498666331 1002059967 /nfs/dbraw/zinc/05/99/67/1002059967.db2.gz HMLVORJNZXZXST-NHCUHLMSSA-N 2 1 408.537 3.614 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N2CCC[N@H+](C(C)C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000498666331 1002059977 /nfs/dbraw/zinc/05/99/77/1002059977.db2.gz HMLVORJNZXZXST-NHCUHLMSSA-N 2 1 408.537 3.614 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000498687376 1002074255 /nfs/dbraw/zinc/07/42/55/1002074255.db2.gz ATEGVHJRTRWUHK-NZQKXSOJSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000498686844 1002074310 /nfs/dbraw/zinc/07/43/10/1002074310.db2.gz YIHCCFZGLNBOEF-YUXAGFNASA-N 2 1 420.548 3.758 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000498686844 1002074317 /nfs/dbraw/zinc/07/43/17/1002074317.db2.gz YIHCCFZGLNBOEF-YUXAGFNASA-N 2 1 420.548 3.758 20 0 HHADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[NH+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000498688559 1002075628 /nfs/dbraw/zinc/07/56/28/1002075628.db2.gz NLVCZXMTKBZTGS-OSZJIOELSA-N 2 1 420.548 3.757 20 0 HHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[NH+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000498688559 1002075638 /nfs/dbraw/zinc/07/56/38/1002075638.db2.gz NLVCZXMTKBZTGS-OSZJIOELSA-N 2 1 420.548 3.757 20 0 HHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000498688559 1002075649 /nfs/dbraw/zinc/07/56/49/1002075649.db2.gz NLVCZXMTKBZTGS-OSZJIOELSA-N 2 1 420.548 3.757 20 0 HHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000498688559 1002075658 /nfs/dbraw/zinc/07/56/58/1002075658.db2.gz NLVCZXMTKBZTGS-OSZJIOELSA-N 2 1 420.548 3.757 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498690004 1002076866 /nfs/dbraw/zinc/07/68/66/1002076866.db2.gz PNAHYQYPKKYKAG-VXKWHMMOSA-N 2 1 420.548 3.758 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498690004 1002076878 /nfs/dbraw/zinc/07/68/78/1002076878.db2.gz PNAHYQYPKKYKAG-VXKWHMMOSA-N 2 1 420.548 3.758 20 0 HHADMP O=C1C[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CN1Cc1ccccc1 ZINC000507457378 1002081896 /nfs/dbraw/zinc/08/18/96/1002081896.db2.gz BHIYBSLPXXPGNY-ZKGSSEMHSA-N 2 1 403.570 3.535 20 0 HHADMP C[C@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498707574 1002091559 /nfs/dbraw/zinc/09/15/59/1002091559.db2.gz UOMXDJYAWMBEQM-REWPJTCUSA-N 2 1 400.611 3.660 20 0 HHADMP O=C(CCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)N1Cc2ccccc2C1 ZINC000507522680 1002131696 /nfs/dbraw/zinc/13/16/96/1002131696.db2.gz BNCIZNLPVSJOMA-DSNGMDLFSA-N 2 1 403.570 3.809 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H](CN4CCOCC4)c4ccccc4)[C@H]3C2)cc1 ZINC000507529901 1002138559 /nfs/dbraw/zinc/13/85/59/1002138559.db2.gz PBTNNNRROMKLOX-CQJMVLFOSA-N 2 1 405.586 3.560 20 0 HHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H](CN4CCOCC4)c4ccccc4)[C@H]3C2)cc1 ZINC000507529901 1002138555 /nfs/dbraw/zinc/13/85/55/1002138555.db2.gz PBTNNNRROMKLOX-CQJMVLFOSA-N 2 1 405.586 3.560 20 0 HHADMP COc1c(C)cc(C[N@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1C ZINC000507656387 1002254732 /nfs/dbraw/zinc/25/47/32/1002254732.db2.gz BCOHHFJAZMMREN-UHFFFAOYSA-N 2 1 423.601 3.833 20 0 HHADMP COc1c(C)cc(C[N@@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1C ZINC000507656387 1002254742 /nfs/dbraw/zinc/25/47/42/1002254742.db2.gz BCOHHFJAZMMREN-UHFFFAOYSA-N 2 1 423.601 3.833 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000498898945 1002289522 /nfs/dbraw/zinc/28/95/22/1002289522.db2.gz UCTVBKURGSOSKR-SXSPYAJSSA-N 2 1 412.553 3.781 20 0 HHADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000499102065 1002493002 /nfs/dbraw/zinc/49/30/02/1002493002.db2.gz QDSWICGKVVXSLQ-IGKWTDBASA-N 2 1 424.589 3.508 20 0 HHADMP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000499110639 1002501248 /nfs/dbraw/zinc/50/12/48/1002501248.db2.gz KYKGULWNXYFIJK-JTHBVZDNSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000499112098 1002502129 /nfs/dbraw/zinc/50/21/29/1002502129.db2.gz NWOSUVKYAZXSPZ-MYSJAJEPSA-N 2 1 408.590 3.888 20 0 HHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H](CN2CCOCC2)c2ccccc2)C3)cc1 ZINC000499138976 1002523159 /nfs/dbraw/zinc/52/31/59/1002523159.db2.gz LDENSHHHANVVBO-QYOOZWMWSA-N 2 1 405.586 3.845 20 0 HHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H](CN2CCOCC2)c2ccccc2)C3)cc1 ZINC000499138976 1002523175 /nfs/dbraw/zinc/52/31/75/1002523175.db2.gz LDENSHHHANVVBO-QYOOZWMWSA-N 2 1 405.586 3.845 20 0 HHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H](CN2CCOCC2)c2ccccc2)C3)cc1 ZINC000499138977 1002523393 /nfs/dbraw/zinc/52/33/93/1002523393.db2.gz LDENSHHHANVVBO-SSUZURRFSA-N 2 1 405.586 3.845 20 0 HHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H](CN2CCOCC2)c2ccccc2)C3)cc1 ZINC000499138977 1002523401 /nfs/dbraw/zinc/52/34/01/1002523401.db2.gz LDENSHHHANVVBO-SSUZURRFSA-N 2 1 405.586 3.845 20 0 HHADMP c1csc([C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)N2CCOCC2)c1 ZINC000499141847 1002526257 /nfs/dbraw/zinc/52/62/57/1002526257.db2.gz NLWZFCUGVHOHCD-GPJHCHHRSA-N 2 1 411.615 3.907 20 0 HHADMP C[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000499150778 1002534897 /nfs/dbraw/zinc/53/48/97/1002534897.db2.gz ZCWSXXKYFDQIOV-IGSOQLKZSA-N 2 1 418.629 3.982 20 0 HHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCN2CC[NH+](Cc4ccccc4)CC2)C3)cc1 ZINC000499163503 1002549362 /nfs/dbraw/zinc/54/93/62/1002549362.db2.gz WFGSAQCLYRETPY-LGKQTMLJSA-N 3 1 418.629 3.589 20 0 HHADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000508043916 1002566483 /nfs/dbraw/zinc/56/64/83/1002566483.db2.gz AURRGWRITDBBLC-JOCHJYFZSA-N 2 1 417.500 3.789 20 0 HHADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000508043916 1002566495 /nfs/dbraw/zinc/56/64/95/1002566495.db2.gz AURRGWRITDBBLC-JOCHJYFZSA-N 2 1 417.500 3.789 20 0 HHADMP COc1ccc(CN2CC[C@@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2=O)cc1 ZINC000499216798 1002601368 /nfs/dbraw/zinc/60/13/68/1002601368.db2.gz TVYRKDSNIKWQRW-STAYPELNSA-N 2 1 419.569 3.581 20 0 HHADMP COc1ccc(CN2CC[C@@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2=O)cc1 ZINC000499216798 1002601375 /nfs/dbraw/zinc/60/13/75/1002601375.db2.gz TVYRKDSNIKWQRW-STAYPELNSA-N 2 1 419.569 3.581 20 0 HHADMP c1ccc(C[C@@H](CN2CCOCC2)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000499237862 1002629192 /nfs/dbraw/zinc/62/91/92/1002629192.db2.gz PFWJDZLYDUXICL-NFGXINMFSA-N 2 1 419.613 3.715 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000499311781 1002718729 /nfs/dbraw/zinc/71/87/29/1002718729.db2.gz JJQWMAYKUIRLDF-ZHRRBRCNSA-N 2 1 409.509 3.983 20 0 HHADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000499315594 1002721821 /nfs/dbraw/zinc/72/18/21/1002721821.db2.gz YAJZRTWVVPEEHI-SBUREZEXSA-N 2 1 421.545 3.852 20 0 HHADMP C[C@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508690312 1003127664 /nfs/dbraw/zinc/12/76/64/1003127664.db2.gz JNIFAZFASUOBDH-RDPSFJRHSA-N 2 1 420.601 3.706 20 0 HHADMP Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000508701426 1003138990 /nfs/dbraw/zinc/13/89/90/1003138990.db2.gz WZOGFESRQXVBMJ-RZFJZAQRSA-N 2 1 407.602 3.869 20 0 HHADMP Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000508701426 1003138981 /nfs/dbraw/zinc/13/89/81/1003138981.db2.gz WZOGFESRQXVBMJ-RZFJZAQRSA-N 2 1 407.602 3.869 20 0 HHADMP COc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1OC ZINC000508713094 1003151893 /nfs/dbraw/zinc/15/18/93/1003151893.db2.gz SBTIGRKPYOMOBD-PMOQBDJRSA-N 2 1 411.590 3.807 20 0 HHADMP COc1ccc([C@H](CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[NH+](C)C)cc1OC ZINC000508713094 1003151904 /nfs/dbraw/zinc/15/19/04/1003151904.db2.gz SBTIGRKPYOMOBD-PMOQBDJRSA-N 2 1 411.590 3.807 20 0 HHADMP COc1ccc([C@H](CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1OC ZINC000508713094 1003151910 /nfs/dbraw/zinc/15/19/10/1003151910.db2.gz SBTIGRKPYOMOBD-PMOQBDJRSA-N 2 1 411.590 3.807 20 0 HHADMP C[C@]1(c2ccccc2)CCC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000500188859 1003535198 /nfs/dbraw/zinc/53/51/98/1003535198.db2.gz WTIHZMBBLNKTJJ-SANMLTNESA-N 2 1 405.586 3.952 20 0 HHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000509231496 1003641443 /nfs/dbraw/zinc/64/14/43/1003641443.db2.gz HALBOAWOVGVYMS-LVCYWYKZSA-N 2 1 411.512 3.678 20 0 HHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000509231496 1003641449 /nfs/dbraw/zinc/64/14/49/1003641449.db2.gz HALBOAWOVGVYMS-LVCYWYKZSA-N 2 1 411.512 3.678 20 0 HHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000509231496 1003641456 /nfs/dbraw/zinc/64/14/56/1003641456.db2.gz HALBOAWOVGVYMS-LVCYWYKZSA-N 2 1 411.512 3.678 20 0 HHADMP O=C(N1CCC([NH+]2CCCCC2)CC1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000509338230 1003715372 /nfs/dbraw/zinc/71/53/72/1003715372.db2.gz PRXRBSNXWWJMCR-QFIPXVFZSA-N 2 1 423.523 3.918 20 0 HHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000500787849 1003956691 /nfs/dbraw/zinc/95/66/91/1003956691.db2.gz RXPLMUFSQXOLAI-JOCHJYFZSA-N 2 1 401.599 3.594 20 0 HHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000509594399 1003968223 /nfs/dbraw/zinc/96/82/23/1003968223.db2.gz FDGJDCUMBYRMJH-ILWGZMRPSA-N 2 1 412.578 3.872 20 0 HHADMP CC[C@@H](C)[NH2+][C@@H](CNC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1)c1ccco1 ZINC000509595181 1003968825 /nfs/dbraw/zinc/96/88/25/1003968825.db2.gz GPGRCTUGRCXMSX-MJGOQNOKSA-N 2 1 400.523 3.665 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N3CCC(CCC[NH+]4CCCC4)CC3)CC2)cs1 ZINC000500822797 1003981780 /nfs/dbraw/zinc/98/17/80/1003981780.db2.gz GXSHCUPZJIPVJX-UHFFFAOYSA-N 2 1 418.651 3.778 20 0 HHADMP Cc1nn2c(C[NH+]3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)c(C(C)C)nc2s1 ZINC000512176532 1004078607 /nfs/dbraw/zinc/07/86/07/1004078607.db2.gz AMBSBPFABBWQHF-IYBDPMFKSA-N 2 1 405.612 3.544 20 0 HHADMP Cc1nn2c(C[NH+]3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)c(C(C)C)nc2s1 ZINC000512176532 1004078612 /nfs/dbraw/zinc/07/86/12/1004078612.db2.gz AMBSBPFABBWQHF-IYBDPMFKSA-N 2 1 405.612 3.544 20 0 HHADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000501041104 1004142697 /nfs/dbraw/zinc/14/26/97/1004142697.db2.gz VQYJYQBROYXYRC-DEOSSOPVSA-N 2 1 406.574 3.984 20 0 HHADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCCN2CC[NH+](C(C)C)CC2)[C@@H]2CCCC[C@H]12 ZINC000501056033 1004158559 /nfs/dbraw/zinc/15/85/59/1004158559.db2.gz DKGAHEYMPLLLKL-QJUOVVKFSA-N 2 1 420.686 3.586 20 0 HHADMP C[C@@H](NC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000501067440 1004169391 /nfs/dbraw/zinc/16/93/91/1004169391.db2.gz IWYTYNKDRNARIQ-QGZVFWFLSA-N 2 1 400.954 3.761 20 0 HHADMP COc1ccc([C@@H](NC(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)C(C)C)cc1 ZINC000501068083 1004170467 /nfs/dbraw/zinc/17/04/67/1004170467.db2.gz KOQDXIZNRCWIED-VWLOTQADSA-N 2 1 424.589 3.752 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000501068886 1004171406 /nfs/dbraw/zinc/17/14/06/1004171406.db2.gz ASGPMOLTEHLTFH-NZQKXSOJSA-N 2 1 400.611 3.660 20 0 HHADMP COCC[N@@H+](C)CCCC1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000501071461 1004174734 /nfs/dbraw/zinc/17/47/34/1004174734.db2.gz GKGZBORVUPTJEA-UHFFFAOYSA-N 2 1 422.658 3.564 20 0 HHADMP c1ccc(C[NH+]2CC[C@]3(CCN(C[C@H]4C[N@@H+](Cc5ccccc5)CCCO4)C3)C2)cc1 ZINC000512284799 1004187119 /nfs/dbraw/zinc/18/71/19/1004187119.db2.gz DKCSGTMHDXJYSI-SXOMAYOGSA-N 2 1 419.613 3.876 20 0 HHADMP c1ccc(C[N@H+]2CC[C@]3(CCN(C[C@H]4C[NH+](Cc5ccccc5)CCCO4)C3)C2)cc1 ZINC000512284799 1004187124 /nfs/dbraw/zinc/18/71/24/1004187124.db2.gz DKCSGTMHDXJYSI-SXOMAYOGSA-N 2 1 419.613 3.876 20 0 HHADMP c1ccc(C[N@@H+]2CC[C@]3(CCN(C[C@H]4C[NH+](Cc5ccccc5)CCCO4)C3)C2)cc1 ZINC000512284799 1004187129 /nfs/dbraw/zinc/18/71/29/1004187129.db2.gz DKCSGTMHDXJYSI-SXOMAYOGSA-N 2 1 419.613 3.876 20 0 HHADMP c1ccc(C[NH+]2CC[C@]3(CCN(C[C@@H]4C[N@@H+](Cc5ccccc5)CCCO4)C3)C2)cc1 ZINC000512284798 1004187340 /nfs/dbraw/zinc/18/73/40/1004187340.db2.gz DKCSGTMHDXJYSI-SVBPBHIXSA-N 2 1 419.613 3.876 20 0 HHADMP c1ccc(C[N@H+]2CC[C@]3(CCN(C[C@@H]4C[NH+](Cc5ccccc5)CCCO4)C3)C2)cc1 ZINC000512284798 1004187343 /nfs/dbraw/zinc/18/73/43/1004187343.db2.gz DKCSGTMHDXJYSI-SVBPBHIXSA-N 2 1 419.613 3.876 20 0 HHADMP c1ccc(C[N@@H+]2CC[C@]3(CCN(C[C@@H]4C[NH+](Cc5ccccc5)CCCO4)C3)C2)cc1 ZINC000512284798 1004187349 /nfs/dbraw/zinc/18/73/49/1004187349.db2.gz DKCSGTMHDXJYSI-SVBPBHIXSA-N 2 1 419.613 3.876 20 0 HHADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000501116487 1004215521 /nfs/dbraw/zinc/21/55/21/1004215521.db2.gz RYXJGUIVWRZJEG-OALUTQOASA-N 2 1 413.528 3.965 20 0 HHADMP CC(C)[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000501130012 1004223410 /nfs/dbraw/zinc/22/34/10/1004223410.db2.gz BSXYXWPOCUFJQC-HSZRJFAPSA-N 2 1 400.611 3.660 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC[C@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000512391691 1004265536 /nfs/dbraw/zinc/26/55/36/1004265536.db2.gz GVISCIWCCQCJMG-PMVMPFDFSA-N 2 1 400.611 3.660 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000512391691 1004265543 /nfs/dbraw/zinc/26/55/43/1004265543.db2.gz GVISCIWCCQCJMG-PMVMPFDFSA-N 2 1 400.611 3.660 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000512391691 1004265554 /nfs/dbraw/zinc/26/55/54/1004265554.db2.gz GVISCIWCCQCJMG-PMVMPFDFSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C[NH+]1Cc1ccccc1 ZINC000512393806 1004266712 /nfs/dbraw/zinc/26/67/12/1004266712.db2.gz VYNVOJOFMCWRGE-AKIFATBCSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C[N@@H+]1Cc1ccccc1 ZINC000512393806 1004266719 /nfs/dbraw/zinc/26/67/19/1004266719.db2.gz VYNVOJOFMCWRGE-AKIFATBCSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C[N@H+]1Cc1ccccc1 ZINC000512393806 1004266728 /nfs/dbraw/zinc/26/67/28/1004266728.db2.gz VYNVOJOFMCWRGE-AKIFATBCSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CCC([NH+]3CCCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000512407530 1004276308 /nfs/dbraw/zinc/27/63/08/1004276308.db2.gz WGHXOGZWYFMWON-GGAORHGYSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@H]1C[C@@H](CCNC(=O)N(CC[NH+](C)C)C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000512425059 1004291367 /nfs/dbraw/zinc/29/13/67/1004291367.db2.gz WXXHBCGDFXEGHF-RBBKRZOGSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000510130326 1004345476 /nfs/dbraw/zinc/34/54/76/1004345476.db2.gz YHRACVYFYQEOHH-IGBVOLGGSA-N 2 1 422.013 3.856 20 0 HHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000510130326 1004345480 /nfs/dbraw/zinc/34/54/80/1004345480.db2.gz YHRACVYFYQEOHH-IGBVOLGGSA-N 2 1 422.013 3.856 20 0 HHADMP C[NH+](Cc1cc(Br)ccc1C[N@H+](C)[C@@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000510143278 1004353877 /nfs/dbraw/zinc/35/38/77/1004353877.db2.gz LQWRWVADUFCGEG-WOJBJXKFSA-N 2 1 411.384 3.671 20 0 HHADMP C[NH+](Cc1ccc(Br)cc1C[N@H+](C)[C@@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000510143278 1004353883 /nfs/dbraw/zinc/35/38/83/1004353883.db2.gz LQWRWVADUFCGEG-WOJBJXKFSA-N 2 1 411.384 3.671 20 0 HHADMP C[NH+](Cc1ccc(Br)cc1C[N@@H+](C)[C@@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000510143278 1004353890 /nfs/dbraw/zinc/35/38/90/1004353890.db2.gz LQWRWVADUFCGEG-WOJBJXKFSA-N 2 1 411.384 3.671 20 0 HHADMP CCC[N@H+](Cc1cc(C)c(C(=O)OC)o1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510248311 1004424197 /nfs/dbraw/zinc/42/41/97/1004424197.db2.gz GYSSHESGBCSDCE-UHFFFAOYSA-N 2 1 400.523 3.662 20 0 HHADMP CCC[N@@H+](Cc1cc(C)c(C(=O)OC)o1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510248311 1004424205 /nfs/dbraw/zinc/42/42/05/1004424205.db2.gz GYSSHESGBCSDCE-UHFFFAOYSA-N 2 1 400.523 3.662 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4ccccc4N4CCOCC4)[C@H]3C2)cc1 ZINC000512612308 1004425694 /nfs/dbraw/zinc/42/56/94/1004425694.db2.gz OJOSIQFWSVWATN-SDHOMARFSA-N 2 1 405.586 3.914 20 0 HHADMP O=C1C[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CN1Cc1ccccc1 ZINC000512616823 1004429707 /nfs/dbraw/zinc/42/97/07/1004429707.db2.gz CTTFNOWIHKLAHM-VEYUFSJPSA-N 2 1 417.597 3.925 20 0 HHADMP CS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512633942 1004446316 /nfs/dbraw/zinc/44/63/16/1004446316.db2.gz BFWIGWLPMRKTKZ-OEMFJLHTSA-N 2 1 412.599 3.622 20 0 HHADMP CS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512633942 1004446324 /nfs/dbraw/zinc/44/63/24/1004446324.db2.gz BFWIGWLPMRKTKZ-OEMFJLHTSA-N 2 1 412.599 3.622 20 0 HHADMP COC(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512653965 1004466310 /nfs/dbraw/zinc/46/63/10/1004466310.db2.gz IGSFBTJYMCQLSB-GMKZXUHWSA-N 2 1 408.542 3.629 20 0 HHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000512673047 1004482281 /nfs/dbraw/zinc/48/22/81/1004482281.db2.gz MAFAILJSLVGUDM-QZTJIDSGSA-N 2 1 401.986 3.721 20 0 HHADMP C[N@@H+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501527785 1004491737 /nfs/dbraw/zinc/49/17/37/1004491737.db2.gz MDUBRGKFFVOESI-OAQYLSRUSA-N 2 1 407.480 3.852 20 0 HHADMP C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000512698707 1004502930 /nfs/dbraw/zinc/50/29/30/1004502930.db2.gz KWOSZMDBVRDTNK-FUPPJEDESA-N 2 1 412.622 3.945 20 0 HHADMP C[C@H](NC(=O)N1CCC[NH+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512698707 1004502934 /nfs/dbraw/zinc/50/29/34/1004502934.db2.gz KWOSZMDBVRDTNK-FUPPJEDESA-N 2 1 412.622 3.945 20 0 HHADMP C[C@H](NC(=O)N1CCC[NH+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512698707 1004502942 /nfs/dbraw/zinc/50/29/42/1004502942.db2.gz KWOSZMDBVRDTNK-FUPPJEDESA-N 2 1 412.622 3.945 20 0 HHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000512810678 1004573289 /nfs/dbraw/zinc/57/32/89/1004573289.db2.gz VGHVQVZXCZZFGP-MJGOQNOKSA-N 2 1 403.368 3.968 20 0 HHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000512810678 1004573297 /nfs/dbraw/zinc/57/32/97/1004573297.db2.gz VGHVQVZXCZZFGP-MJGOQNOKSA-N 2 1 403.368 3.968 20 0 HHADMP Cc1cnn([C@@H]2CC[NH+](Cc3ccccc3)C2)c1NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000501667402 1004585768 /nfs/dbraw/zinc/58/57/68/1004585768.db2.gz VNUPIYJFAPEPMX-FCHUYYIVSA-N 2 1 409.578 3.842 20 0 HHADMP Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000501667402 1004585778 /nfs/dbraw/zinc/58/57/78/1004585778.db2.gz VNUPIYJFAPEPMX-FCHUYYIVSA-N 2 1 409.578 3.842 20 0 HHADMP Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000501667402 1004585792 /nfs/dbraw/zinc/58/57/92/1004585792.db2.gz VNUPIYJFAPEPMX-FCHUYYIVSA-N 2 1 409.578 3.842 20 0 HHADMP FC(F)OC[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CC[C@H](COC(F)F)C3)c2)C1 ZINC000512831307 1004589575 /nfs/dbraw/zinc/58/95/75/1004589575.db2.gz BXSXFZAZCTUVHN-HDICACEKSA-N 2 1 404.448 3.809 20 0 HHADMP FC(F)OC[C@@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@H](COC(F)F)C3)c2)C1 ZINC000512831307 1004589578 /nfs/dbraw/zinc/58/95/78/1004589578.db2.gz BXSXFZAZCTUVHN-HDICACEKSA-N 2 1 404.448 3.809 20 0 HHADMP FC(F)OC[C@@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@H](COC(F)F)C3)c2)C1 ZINC000512831307 1004589583 /nfs/dbraw/zinc/58/95/83/1004589583.db2.gz BXSXFZAZCTUVHN-HDICACEKSA-N 2 1 404.448 3.809 20 0 HHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000510509486 1004632013 /nfs/dbraw/zinc/63/20/13/1004632013.db2.gz DLBLHANNDOCWJR-UGKGYDQZSA-N 2 1 400.611 3.981 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000501770156 1004707943 /nfs/dbraw/zinc/70/79/43/1004707943.db2.gz NGLGWDDVZZMCBN-FPOVZHCZSA-N 2 1 421.651 3.871 20 0 HHADMP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC1 ZINC000501771073 1004709215 /nfs/dbraw/zinc/70/92/15/1004709215.db2.gz AVMTXJGGMLRPOC-UHFFFAOYSA-N 2 1 401.551 3.720 20 0 HHADMP C[C@H](NC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)C1=CC[N@H+](C)CC1 ZINC000510568114 1004712012 /nfs/dbraw/zinc/71/20/12/1004712012.db2.gz CQEVVSYUXSZXIJ-INIZCTEOSA-N 2 1 424.511 3.619 20 0 HHADMP C[C@H](NC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)C1=CC[N@@H+](C)CC1 ZINC000510568114 1004712044 /nfs/dbraw/zinc/71/20/44/1004712044.db2.gz CQEVVSYUXSZXIJ-INIZCTEOSA-N 2 1 424.511 3.619 20 0 HHADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000501779752 1004719195 /nfs/dbraw/zinc/71/91/95/1004719195.db2.gz YRMYGCTWJIGTLN-OAQYLSRUSA-N 2 1 412.603 3.633 20 0 HHADMP C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510575640 1004722447 /nfs/dbraw/zinc/72/24/47/1004722447.db2.gz ZMHLPLYBNDACES-ZVDOUQERSA-N 2 1 402.583 3.759 20 0 HHADMP Cc1cc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)n([C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000501782857 1004723883 /nfs/dbraw/zinc/72/38/83/1004723883.db2.gz WVCOUOZXZZHEMJ-FGZHOGPDSA-N 2 1 409.578 3.842 20 0 HHADMP Cc1cc(NC(=O)CC[C@H]2CCCC[NH+]2C)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000501782857 1004723891 /nfs/dbraw/zinc/72/38/91/1004723891.db2.gz WVCOUOZXZZHEMJ-FGZHOGPDSA-N 2 1 409.578 3.842 20 0 HHADMP Cc1cc(NC(=O)CC[C@H]2CCCC[NH+]2C)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000501782857 1004723900 /nfs/dbraw/zinc/72/39/00/1004723900.db2.gz WVCOUOZXZZHEMJ-FGZHOGPDSA-N 2 1 409.578 3.842 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1)C1CC1 ZINC000510789582 1004853440 /nfs/dbraw/zinc/85/34/40/1004853440.db2.gz HFLWDBFFJIEZBW-UHFFFAOYSA-N 2 1 401.620 3.762 20 0 HHADMP Fc1cccc(Cl)c1CN1CCC([NH2+]CC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000513212795 1004863860 /nfs/dbraw/zinc/86/38/60/1004863860.db2.gz QMAXNQCQFUNGFB-UHFFFAOYSA-N 2 1 409.977 3.678 20 0 HHADMP O[C@]1(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000513232636 1004872941 /nfs/dbraw/zinc/87/29/41/1004872941.db2.gz ISICUUSCXRWTSL-DEOSSOPVSA-N 2 1 413.993 3.531 20 0 HHADMP O[C@]1(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000513232636 1004872949 /nfs/dbraw/zinc/87/29/49/1004872949.db2.gz ISICUUSCXRWTSL-DEOSSOPVSA-N 2 1 413.993 3.531 20 0 HHADMP O=C(Nc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000510999730 1004973605 /nfs/dbraw/zinc/97/36/05/1004973605.db2.gz NQGVUDIIEFOPFZ-IQFVJIFQSA-N 2 1 404.558 3.793 20 0 HHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(OCc4cccs4)c(OC)c3)C2)CC1 ZINC000513460247 1004975947 /nfs/dbraw/zinc/97/59/47/1004975947.db2.gz DEALXBITVFEPNU-HXUWFJFHSA-N 2 1 415.603 3.548 20 0 HHADMP CCc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000511009767 1004978054 /nfs/dbraw/zinc/97/80/54/1004978054.db2.gz DBCKMVYNXYVXCY-QHCPKHFHSA-N 2 1 411.571 3.927 20 0 HHADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000513587835 1005038187 /nfs/dbraw/zinc/03/81/87/1005038187.db2.gz BKLZKLHTKLBXMI-QRVBRYPASA-N 2 1 413.537 3.942 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C[C@@H](C)O1 ZINC000511166653 1005054636 /nfs/dbraw/zinc/05/46/36/1005054636.db2.gz DJAXMBTXBVNVJA-OTPAQWSUSA-N 2 1 421.585 3.577 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C[C@@H](C)O1 ZINC000511166653 1005054640 /nfs/dbraw/zinc/05/46/40/1005054640.db2.gz DJAXMBTXBVNVJA-OTPAQWSUSA-N 2 1 421.585 3.577 20 0 HHADMP CCc1ccc(-c2ccc(C[NH+]3CCC(CC(=O)N4CC[NH+](C)CC4)CC3)o2)cc1 ZINC000513655314 1005068534 /nfs/dbraw/zinc/06/85/34/1005068534.db2.gz LQKXVFGERDVSDV-UHFFFAOYSA-N 2 1 409.574 3.885 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]Cc4ccc(N5CCOCC5)nc4)[C@@H]3C2)cc1 ZINC000513697983 1005086680 /nfs/dbraw/zinc/08/66/80/1005086680.db2.gz VFNLWYIDHCRALW-ISJGIBHGSA-N 2 1 420.601 3.699 20 0 HHADMP C[C@H](NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511246668 1005089588 /nfs/dbraw/zinc/08/95/88/1005089588.db2.gz HHMZEYIESWTZBK-KJJMTIBFSA-N 2 1 404.643 3.935 20 0 HHADMP C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511246668 1005089593 /nfs/dbraw/zinc/08/95/93/1005089593.db2.gz HHMZEYIESWTZBK-KJJMTIBFSA-N 2 1 404.643 3.935 20 0 HHADMP C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511246668 1005089599 /nfs/dbraw/zinc/08/95/99/1005089599.db2.gz HHMZEYIESWTZBK-KJJMTIBFSA-N 2 1 404.643 3.935 20 0 HHADMP C[C@H](NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511292751 1005111432 /nfs/dbraw/zinc/11/14/32/1005111432.db2.gz KBAPVHAQTGJLFJ-WWNPGLIZSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@H](NC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511292751 1005111437 /nfs/dbraw/zinc/11/14/37/1005111437.db2.gz KBAPVHAQTGJLFJ-WWNPGLIZSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@H](NC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511292751 1005111441 /nfs/dbraw/zinc/11/14/41/1005111441.db2.gz KBAPVHAQTGJLFJ-WWNPGLIZSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000502799743 1005222975 /nfs/dbraw/zinc/22/29/75/1005222975.db2.gz SYWGCUOCOGIZOP-MSOLQXFVSA-N 2 1 414.619 3.923 20 0 HHADMP C[C@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000502799743 1005222978 /nfs/dbraw/zinc/22/29/78/1005222978.db2.gz SYWGCUOCOGIZOP-MSOLQXFVSA-N 2 1 414.619 3.923 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000502814037 1005228429 /nfs/dbraw/zinc/22/84/29/1005228429.db2.gz WNGPXQANRYMMNV-UHFFFAOYSA-N 2 1 408.590 3.944 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+](C)CC[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000502846398 1005242326 /nfs/dbraw/zinc/24/23/26/1005242326.db2.gz DLLVJGFCBLTAFY-VQIMIIECSA-N 2 1 414.516 3.824 20 0 HHADMP C[C@@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000502849291 1005243228 /nfs/dbraw/zinc/24/32/28/1005243228.db2.gz XQPGZURPGGJMLE-NRFANRHFSA-N 2 1 420.601 3.739 20 0 HHADMP COc1ccc([C@@H](CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)[NH+]2CCCC2)cc1 ZINC000502863392 1005248712 /nfs/dbraw/zinc/24/87/12/1005248712.db2.gz QCAVKUNAHYDOPY-NFBKMPQASA-N 2 1 416.610 3.786 20 0 HHADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000511632647 1005253314 /nfs/dbraw/zinc/25/33/14/1005253314.db2.gz XZTYPBREPSJDKD-UHFFFAOYSA-N 2 1 414.619 3.726 20 0 HHADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000511646169 1005259721 /nfs/dbraw/zinc/25/97/21/1005259721.db2.gz ILQAMRMIZLZNLW-UHFFFAOYSA-N 2 1 414.619 3.726 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCC[NH+](Cc4ccccc4)C3)CC2)cc1 ZINC000511648173 1005260898 /nfs/dbraw/zinc/26/08/98/1005260898.db2.gz ODOJWHMCCQYPFR-DEOSSOPVSA-N 2 1 421.585 3.642 20 0 HHADMP COc1ccc(C[NH+]2CCCN(C(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000511648173 1005260901 /nfs/dbraw/zinc/26/09/01/1005260901.db2.gz ODOJWHMCCQYPFR-DEOSSOPVSA-N 2 1 421.585 3.642 20 0 HHADMP COc1ccc(C[NH+]2CCCN(C(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000511648173 1005260906 /nfs/dbraw/zinc/26/09/06/1005260906.db2.gz ODOJWHMCCQYPFR-DEOSSOPVSA-N 2 1 421.585 3.642 20 0 HHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000514177029 1005299577 /nfs/dbraw/zinc/29/95/77/1005299577.db2.gz ZWHMTXZXSNQEHS-SFTDATJTSA-N 2 1 412.603 3.534 20 0 HHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000514177029 1005299581 /nfs/dbraw/zinc/29/95/81/1005299581.db2.gz ZWHMTXZXSNQEHS-SFTDATJTSA-N 2 1 412.603 3.534 20 0 HHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000514177029 1005299585 /nfs/dbraw/zinc/29/95/85/1005299585.db2.gz ZWHMTXZXSNQEHS-SFTDATJTSA-N 2 1 412.603 3.534 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1)[NH+](C)C ZINC000514181529 1005301233 /nfs/dbraw/zinc/30/12/33/1005301233.db2.gz CUFSQQPLWZCLRE-GOTSBHOMSA-N 2 1 424.589 3.743 20 0 HHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000514183308 1005301960 /nfs/dbraw/zinc/30/19/60/1005301960.db2.gz TZNKURFWRPQXSU-PKOBYXMFSA-N 2 1 403.596 3.662 20 0 HHADMP C[C@H]1C[N@H+](C2CCN(C(=O)c3cccc(C[NH+](C)Cc4ccccc4)c3)CC2)CCO1 ZINC000511754537 1005308428 /nfs/dbraw/zinc/30/84/28/1005308428.db2.gz PNALQVCYDJDDGP-NRFANRHFSA-N 2 1 421.585 3.644 20 0 HHADMP C[C@H]1C[NH+](C2CCN(C(=O)c3cccc(C[N@H+](C)Cc4ccccc4)c3)CC2)CCO1 ZINC000511754537 1005308429 /nfs/dbraw/zinc/30/84/29/1005308429.db2.gz PNALQVCYDJDDGP-NRFANRHFSA-N 2 1 421.585 3.644 20 0 HHADMP C[C@H]1C[NH+](C2CCN(C(=O)c3cccc(C[N@@H+](C)Cc4ccccc4)c3)CC2)CCO1 ZINC000511754537 1005308431 /nfs/dbraw/zinc/30/84/31/1005308431.db2.gz PNALQVCYDJDDGP-NRFANRHFSA-N 2 1 421.585 3.644 20 0 HHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000514241154 1005328732 /nfs/dbraw/zinc/32/87/32/1005328732.db2.gz FTUYMKXCXNONPV-HSZRJFAPSA-N 2 1 424.976 3.999 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000503401709 1005408936 /nfs/dbraw/zinc/40/89/36/1005408936.db2.gz QWDIRBCFTQGISQ-WPFOTENUSA-N 2 1 412.622 3.975 20 0 HHADMP O=C(CC[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1)NCc1ccccc1Cl ZINC000503418396 1005414684 /nfs/dbraw/zinc/41/46/84/1005414684.db2.gz ZVHZBQVRSMGQGH-GOSISDBHSA-N 2 1 400.954 3.759 20 0 HHADMP C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)CC[C@@H]3CCCC[N@H+]3C)cc2)C[C@H]1C ZINC000503430497 1005418196 /nfs/dbraw/zinc/41/81/96/1005418196.db2.gz RTLHGXFNZBASFD-XPNTWCBSSA-N 2 1 415.622 3.576 20 0 HHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCCC[N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000503446990 1005422969 /nfs/dbraw/zinc/42/29/69/1005422969.db2.gz NQKBTTVULVWQED-HSZRJFAPSA-N 2 1 400.611 3.662 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000503473394 1005431283 /nfs/dbraw/zinc/43/12/83/1005431283.db2.gz NWQUAAQIIYLLCH-UKILVPOCSA-N 2 1 420.601 3.687 20 0 HHADMP Cc1cccc(-c2n[nH]cc2C[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000504086116 1005549786 /nfs/dbraw/zinc/54/97/86/1005549786.db2.gz IAAHJBDTGXMJEH-XMMPIXPASA-N 2 1 403.574 3.854 20 0 HHADMP C[C@@H](CCc1ccccc1)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000531167331 1006026089 /nfs/dbraw/zinc/02/60/89/1006026089.db2.gz BILHGMVNMHBJPY-QFIPXVFZSA-N 2 1 407.602 3.968 20 0 HHADMP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000534099366 1006071026 /nfs/dbraw/zinc/07/10/26/1006071026.db2.gz MDQZBXWKLBRBES-XYEHWOGUSA-N 2 1 416.997 3.744 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000534099366 1006071038 /nfs/dbraw/zinc/07/10/38/1006071038.db2.gz MDQZBXWKLBRBES-XYEHWOGUSA-N 2 1 416.997 3.744 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000534099366 1006071047 /nfs/dbraw/zinc/07/10/47/1006071047.db2.gz MDQZBXWKLBRBES-XYEHWOGUSA-N 2 1 416.997 3.744 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000534099366 1006071057 /nfs/dbraw/zinc/07/10/57/1006071057.db2.gz MDQZBXWKLBRBES-XYEHWOGUSA-N 2 1 416.997 3.744 20 0 HHADMP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000534099364 1006071804 /nfs/dbraw/zinc/07/18/04/1006071804.db2.gz MDQZBXWKLBRBES-GUGJDKNPSA-N 2 1 416.997 3.744 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000534099364 1006071819 /nfs/dbraw/zinc/07/18/19/1006071819.db2.gz MDQZBXWKLBRBES-GUGJDKNPSA-N 2 1 416.997 3.744 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000534099364 1006071835 /nfs/dbraw/zinc/07/18/35/1006071835.db2.gz MDQZBXWKLBRBES-GUGJDKNPSA-N 2 1 416.997 3.744 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000534099364 1006071847 /nfs/dbraw/zinc/07/18/47/1006071847.db2.gz MDQZBXWKLBRBES-GUGJDKNPSA-N 2 1 416.997 3.744 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C[C@H]1C ZINC000531376021 1006160036 /nfs/dbraw/zinc/16/00/36/1006160036.db2.gz PFQSORWQZTWQML-LQWHRVPQSA-N 2 1 407.002 3.991 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C[C@H]1C ZINC000531376023 1006160208 /nfs/dbraw/zinc/16/02/08/1006160208.db2.gz PFQSORWQZTWQML-LVCYWYKZSA-N 2 1 407.002 3.991 20 0 HHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000531380539 1006163325 /nfs/dbraw/zinc/16/33/25/1006163325.db2.gz HDNULBHCKUFSIX-IBGZPJMESA-N 2 1 422.525 3.882 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000531443272 1006199381 /nfs/dbraw/zinc/19/93/81/1006199381.db2.gz JDEDPDPBPPEKCP-LJQANCHMSA-N 2 1 408.546 3.638 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCC3(CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000534227039 1006224946 /nfs/dbraw/zinc/22/49/46/1006224946.db2.gz SNLJYRXUFSJLQS-QHCPKHFHSA-N 2 1 412.622 3.662 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000534227039 1006224956 /nfs/dbraw/zinc/22/49/56/1006224956.db2.gz SNLJYRXUFSJLQS-QHCPKHFHSA-N 2 1 412.622 3.662 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000534227039 1006224967 /nfs/dbraw/zinc/22/49/67/1006224967.db2.gz SNLJYRXUFSJLQS-QHCPKHFHSA-N 2 1 412.622 3.662 20 0 HHADMP COc1ccccc1[C@H](C)NC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534229513 1006228793 /nfs/dbraw/zinc/22/87/93/1006228793.db2.gz LYOWJIAYHBSBAP-NRFANRHFSA-N 2 1 421.585 3.861 20 0 HHADMP CC1(C)CC(NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC(C)(C)[NH2+]1 ZINC000534249134 1006256314 /nfs/dbraw/zinc/25/63/14/1006256314.db2.gz BWDSYDBQTBBULV-UHFFFAOYSA-N 2 1 412.622 3.993 20 0 HHADMP C[C@H](CCNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000534258373 1006267133 /nfs/dbraw/zinc/26/71/33/1006267133.db2.gz XRNDEVBZMNEPLU-GOSISDBHSA-N 2 1 400.542 3.597 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000531621022 1006310863 /nfs/dbraw/zinc/31/08/63/1006310863.db2.gz XUSPRESCOHSXHB-LGVFNWMJSA-N 2 1 420.601 3.566 20 0 HHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)cs1 ZINC000531715795 1006374875 /nfs/dbraw/zinc/37/48/75/1006374875.db2.gz GOFGEQXWRRWCIH-MRXNPFEDSA-N 2 1 421.632 3.672 20 0 HHADMP C[NH+]1CCC([C@@H]2CCN(C(=O)[C@@]3(C(F)(F)F)CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000534408907 1006384599 /nfs/dbraw/zinc/38/45/99/1006384599.db2.gz FBBHZMWNRFFNTQ-IFMALSPDSA-N 2 1 423.523 3.631 20 0 HHADMP CC[N@H+]1CCC[C@@H](CNC(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000515389565 1006432103 /nfs/dbraw/zinc/43/21/03/1006432103.db2.gz IHPFAEVFUBIPOI-ZKMPZPQNSA-N 2 1 420.601 3.686 20 0 HHADMP CC[NH+]1CCC[C@@H](CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000515389565 1006432113 /nfs/dbraw/zinc/43/21/13/1006432113.db2.gz IHPFAEVFUBIPOI-ZKMPZPQNSA-N 2 1 420.601 3.686 20 0 HHADMP CC[NH+]1CCC[C@@H](CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000515389565 1006432121 /nfs/dbraw/zinc/43/21/21/1006432121.db2.gz IHPFAEVFUBIPOI-ZKMPZPQNSA-N 2 1 420.601 3.686 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000531900679 1006507211 /nfs/dbraw/zinc/50/72/11/1006507211.db2.gz SQTVULOHAHVPQV-MRXNPFEDSA-N 2 1 415.500 3.815 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000531900678 1006507847 /nfs/dbraw/zinc/50/78/47/1006507847.db2.gz SQTVULOHAHVPQV-INIZCTEOSA-N 2 1 415.500 3.815 20 0 HHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000531940061 1006533405 /nfs/dbraw/zinc/53/34/05/1006533405.db2.gz VBVODXQEUACHHX-NFBKMPQASA-N 2 1 409.574 3.877 20 0 HHADMP CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000531981321 1006558562 /nfs/dbraw/zinc/55/85/62/1006558562.db2.gz UOVNYINTSMKZPO-MWTRTKDXSA-N 2 1 401.514 3.670 20 0 HHADMP OC[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(OC(F)(F)F)cc1 ZINC000532015643 1006576687 /nfs/dbraw/zinc/57/66/87/1006576687.db2.gz KUWOHQVESIUJAD-HXUWFJFHSA-N 2 1 422.491 3.990 20 0 HHADMP COc1ccc([C@H]([NH2+][C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000538392812 1006663112 /nfs/dbraw/zinc/66/31/12/1006663112.db2.gz OVCQSRVSQPNXCS-JKFKMHIGSA-N 2 1 407.558 3.515 20 0 HHADMP C[NH+]1CCN(c2ncc(C[NH2+]CCC(c3ccccc3)c3ccccc3)cn2)CC1 ZINC000532140208 1006667119 /nfs/dbraw/zinc/66/71/19/1006667119.db2.gz RNEJHDAJMDRJTB-UHFFFAOYSA-N 2 1 401.558 3.540 20 0 HHADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000515801649 1006681979 /nfs/dbraw/zinc/68/19/79/1006681979.db2.gz RHJUZCAWZSJKJO-XMMPIXPASA-N 2 1 422.573 3.520 20 0 HHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000532193456 1006711295 /nfs/dbraw/zinc/71/12/95/1006711295.db2.gz VGNSUIZLHIHADH-DRLORSAXSA-N 3 1 406.618 3.827 20 0 HHADMP COc1ccc([C@H](C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)N2CCOCC2)cc1 ZINC000532204145 1006720139 /nfs/dbraw/zinc/72/01/39/1006720139.db2.gz IGFJAAKJLASGDX-ZPZUNKDASA-N 2 1 415.622 3.701 20 0 HHADMP CCC(CC)n1nc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C ZINC000538462464 1006732342 /nfs/dbraw/zinc/73/23/42/1006732342.db2.gz LOTCZMAKATXJQC-UHFFFAOYSA-N 2 1 417.642 3.821 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000538590677 1006857533 /nfs/dbraw/zinc/85/75/33/1006857533.db2.gz RVYHPXMLOFMHDP-GBXCKJPGSA-N 2 1 407.606 3.935 20 0 HHADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000532442216 1006885874 /nfs/dbraw/zinc/88/58/74/1006885874.db2.gz KTHIYTJCSGKWHA-OXJNMPFZSA-N 2 1 412.603 3.617 20 0 HHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000538638727 1006908496 /nfs/dbraw/zinc/90/84/96/1006908496.db2.gz MLTQOOGAMNKSBY-GOSISDBHSA-N 2 1 400.485 3.829 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000532579050 1007013298 /nfs/dbraw/zinc/01/32/98/1007013298.db2.gz FWTAIZFKAKRJGQ-XUZZJYLKSA-N 2 1 405.586 3.720 20 0 HHADMP C[N@H+]1CC[C@@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534969394 1007024384 /nfs/dbraw/zinc/02/43/84/1007024384.db2.gz RIMHPWYARNJNTK-LAUBAEHRSA-N 2 1 422.976 3.646 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc3ccc(C(F)(F)F)cc3[nH]2)CC1 ZINC000538744463 1007029560 /nfs/dbraw/zinc/02/95/60/1007029560.db2.gz PRWNYWSQKCLVSN-UHFFFAOYSA-N 2 1 403.408 3.586 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000534976191 1007034506 /nfs/dbraw/zinc/03/45/06/1007034506.db2.gz MHNCDGVJKNRDGP-UHFFFAOYSA-N 2 1 400.542 3.727 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000534978440 1007037669 /nfs/dbraw/zinc/03/76/69/1007037669.db2.gz AAVKOJXJFSXDLC-GCJKJVERSA-N 2 1 412.553 3.740 20 0 HHADMP C[C@H]1CC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000538760097 1007044511 /nfs/dbraw/zinc/04/45/11/1007044511.db2.gz RFKPXPXBPDVMEE-JXFKEZNVSA-N 2 1 419.495 3.830 20 0 HHADMP C[C@H]1CC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000538760097 1007044517 /nfs/dbraw/zinc/04/45/17/1007044517.db2.gz RFKPXPXBPDVMEE-JXFKEZNVSA-N 2 1 419.495 3.830 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534986273 1007044618 /nfs/dbraw/zinc/04/46/18/1007044618.db2.gz GWVDAQOGOBILMK-OPYAIIAOSA-N 2 1 422.976 3.742 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000534987225 1007045568 /nfs/dbraw/zinc/04/55/68/1007045568.db2.gz CDBJFWGZGWKIQA-ASKNOMKYSA-N 2 1 410.965 3.596 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC[NH+]1C ZINC000534987225 1007045582 /nfs/dbraw/zinc/04/55/82/1007045582.db2.gz CDBJFWGZGWKIQA-ASKNOMKYSA-N 2 1 410.965 3.596 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC[NH+]1C ZINC000534987225 1007045592 /nfs/dbraw/zinc/04/55/92/1007045592.db2.gz CDBJFWGZGWKIQA-ASKNOMKYSA-N 2 1 410.965 3.596 20 0 HHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000538763713 1007049253 /nfs/dbraw/zinc/04/92/53/1007049253.db2.gz RSYNSBKJJDLZBP-JOCHJYFZSA-N 2 1 416.013 3.743 20 0 HHADMP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1OCc1ccccc1 ZINC000532628350 1007049958 /nfs/dbraw/zinc/04/99/58/1007049958.db2.gz GWHIQJLGWQBINI-XZOQPEGZSA-N 2 1 410.558 3.742 20 0 HHADMP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000532628908 1007050744 /nfs/dbraw/zinc/05/07/44/1007050744.db2.gz QXZAOJQIQHQASM-RPWUZVMVSA-N 2 1 408.590 3.693 20 0 HHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccccc2OCC[NH+](C)C)cc1 ZINC000516392330 1007057291 /nfs/dbraw/zinc/05/72/91/1007057291.db2.gz QDAFOKOHJCFANX-HXUWFJFHSA-N 2 1 409.574 3.931 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)Nc3cccc(CC[NH+]4CCCC4)c3)CC2)cs1 ZINC000538807045 1007085492 /nfs/dbraw/zinc/08/54/92/1007085492.db2.gz IRIFJUIQGOKHNX-UHFFFAOYSA-N 2 1 412.603 3.941 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH+]([C@H](C)c3ccccc3)C2)CC1 ZINC000516578130 1007164303 /nfs/dbraw/zinc/16/43/03/1007164303.db2.gz OOIXDRCNWYHVNC-NFBKMPQASA-N 2 1 400.611 3.975 20 0 HHADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000516578130 1007164310 /nfs/dbraw/zinc/16/43/10/1007164310.db2.gz OOIXDRCNWYHVNC-NFBKMPQASA-N 2 1 400.611 3.975 20 0 HHADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000516578130 1007164317 /nfs/dbraw/zinc/16/43/17/1007164317.db2.gz OOIXDRCNWYHVNC-NFBKMPQASA-N 2 1 400.611 3.975 20 0 HHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000516665035 1007214403 /nfs/dbraw/zinc/21/44/03/1007214403.db2.gz YYJNCUJLDXBMSX-UHFFFAOYSA-N 2 1 414.619 3.660 20 0 HHADMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2cc(C)nn2C(C)(C)C)CC1)CC1CC1 ZINC000538947547 1007233056 /nfs/dbraw/zinc/23/30/56/1007233056.db2.gz BHTLWWIJTXQXNU-UHFFFAOYSA-N 2 1 403.615 3.719 20 0 HHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2cc(C)nn2C(C)(C)C)CC1)CC1CC1 ZINC000538947547 1007233065 /nfs/dbraw/zinc/23/30/65/1007233065.db2.gz BHTLWWIJTXQXNU-UHFFFAOYSA-N 2 1 403.615 3.719 20 0 HHADMP CC[N@H+](CCC1CC[NH+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1)CC1CC1 ZINC000538947897 1007234324 /nfs/dbraw/zinc/23/43/24/1007234324.db2.gz GEEHSTHTRUUZDX-QHCPKHFHSA-N 2 1 401.570 3.979 20 0 HHADMP CC[N@@H+](CCC1CC[NH+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1)CC1CC1 ZINC000538947897 1007234331 /nfs/dbraw/zinc/23/43/31/1007234331.db2.gz GEEHSTHTRUUZDX-QHCPKHFHSA-N 2 1 401.570 3.979 20 0 HHADMP Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)c(C)n2n1 ZINC000538986441 1007281669 /nfs/dbraw/zinc/28/16/69/1007281669.db2.gz WTRYTYILLBTLKC-CEXWTWQISA-N 2 1 407.562 3.806 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1nc2c(s1)CCCC2 ZINC000538987765 1007282636 /nfs/dbraw/zinc/28/26/36/1007282636.db2.gz NGJHCTVOUHTUNJ-APWZRJJASA-N 2 1 412.603 3.570 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1nc2c(s1)CCCC2 ZINC000538987765 1007282646 /nfs/dbraw/zinc/28/26/46/1007282646.db2.gz NGJHCTVOUHTUNJ-APWZRJJASA-N 2 1 412.603 3.570 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)c(C)c2)CC1 ZINC000516789443 1007290154 /nfs/dbraw/zinc/29/01/54/1007290154.db2.gz DXRBSDIUGLMWHL-XMMPIXPASA-N 2 1 421.589 3.658 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)c(C)c2)CC1 ZINC000516789443 1007290167 /nfs/dbraw/zinc/29/01/67/1007290167.db2.gz DXRBSDIUGLMWHL-XMMPIXPASA-N 2 1 421.589 3.658 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000539019456 1007316668 /nfs/dbraw/zinc/31/66/68/1007316668.db2.gz XAYLEOKAOXRNHF-GOSISDBHSA-N 2 1 424.570 3.816 20 0 HHADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)[C@@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000535269184 1007318915 /nfs/dbraw/zinc/31/89/15/1007318915.db2.gz HPJXMJNOQRGODP-IFMALSPDSA-N 2 1 417.475 3.744 20 0 HHADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)[C@@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000535269184 1007318928 /nfs/dbraw/zinc/31/89/28/1007318928.db2.gz HPJXMJNOQRGODP-IFMALSPDSA-N 2 1 417.475 3.744 20 0 HHADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000535269184 1007318944 /nfs/dbraw/zinc/31/89/44/1007318944.db2.gz HPJXMJNOQRGODP-IFMALSPDSA-N 2 1 417.475 3.744 20 0 HHADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000535269184 1007318953 /nfs/dbraw/zinc/31/89/53/1007318953.db2.gz HPJXMJNOQRGODP-IFMALSPDSA-N 2 1 417.475 3.744 20 0 HHADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)[C@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000535269212 1007319314 /nfs/dbraw/zinc/31/93/14/1007319314.db2.gz HPJXMJNOQRGODP-UNMCSNQZSA-N 2 1 417.475 3.744 20 0 HHADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)[C@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000535269212 1007319329 /nfs/dbraw/zinc/31/93/29/1007319329.db2.gz HPJXMJNOQRGODP-UNMCSNQZSA-N 2 1 417.475 3.744 20 0 HHADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000535269212 1007319342 /nfs/dbraw/zinc/31/93/42/1007319342.db2.gz HPJXMJNOQRGODP-UNMCSNQZSA-N 2 1 417.475 3.744 20 0 HHADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000535269212 1007319357 /nfs/dbraw/zinc/31/93/57/1007319357.db2.gz HPJXMJNOQRGODP-UNMCSNQZSA-N 2 1 417.475 3.744 20 0 HHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccccc1OCC(=O)N1CCCC1 ZINC000516894357 1007335025 /nfs/dbraw/zinc/33/50/25/1007335025.db2.gz AJNHIKNVEJIUBO-UHFFFAOYSA-N 2 1 409.574 3.772 20 0 HHADMP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000535294551 1007346082 /nfs/dbraw/zinc/34/60/82/1007346082.db2.gz NJOPFFPGVDGCPS-URXFXBBRSA-N 2 1 406.574 3.727 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000535294551 1007346098 /nfs/dbraw/zinc/34/60/98/1007346098.db2.gz NJOPFFPGVDGCPS-URXFXBBRSA-N 2 1 406.574 3.727 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000535294551 1007346111 /nfs/dbraw/zinc/34/61/11/1007346111.db2.gz NJOPFFPGVDGCPS-URXFXBBRSA-N 2 1 406.574 3.727 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000535294551 1007346124 /nfs/dbraw/zinc/34/61/24/1007346124.db2.gz NJOPFFPGVDGCPS-URXFXBBRSA-N 2 1 406.574 3.727 20 0 HHADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000539072816 1007364228 /nfs/dbraw/zinc/36/42/28/1007364228.db2.gz UKPZFPOBMKUAIN-QRVBRYPASA-N 2 1 410.002 3.556 20 0 HHADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1Cl ZINC000539081493 1007371914 /nfs/dbraw/zinc/37/19/14/1007371914.db2.gz ZHHYUQKEYFDVAF-SFHVURJKSA-N 2 1 407.986 3.990 20 0 HHADMP Cc1ccsc1-c1nnc(NC(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)o1 ZINC000535319561 1007372365 /nfs/dbraw/zinc/37/23/65/1007372365.db2.gz SLKCDDBZYBPBDP-UHFFFAOYSA-N 2 1 417.579 3.633 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000533010668 1007375030 /nfs/dbraw/zinc/37/50/30/1007375030.db2.gz VTDKNVIMDJJGBF-DUXKGJEZSA-N 2 1 404.986 3.601 20 0 HHADMP O=C(Nc1cccc2c1CN(c1ccccn1)C2)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000535326637 1007379541 /nfs/dbraw/zinc/37/95/41/1007379541.db2.gz LZQXOLVNCGIALG-OAQYLSRUSA-N 2 1 413.525 3.998 20 0 HHADMP C[C@@H]1CCC[C@@](CNC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)([NH+](C)C)C1 ZINC000517089099 1007400952 /nfs/dbraw/zinc/40/09/52/1007400952.db2.gz FSMTWROGNFCKLG-MTXNFPGFSA-N 2 1 401.595 3.536 20 0 HHADMP C[C@@H]1CCC[C@@](CNC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)([NH+](C)C)C1 ZINC000517089099 1007400963 /nfs/dbraw/zinc/40/09/63/1007400963.db2.gz FSMTWROGNFCKLG-MTXNFPGFSA-N 2 1 401.595 3.536 20 0 HHADMP c1cn(-c2ccccc2)nc1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000539116739 1007404258 /nfs/dbraw/zinc/40/42/58/1007404258.db2.gz JUCQRXFJJSWVHP-UHFFFAOYSA-N 2 1 403.574 3.560 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000535366294 1007423809 /nfs/dbraw/zinc/42/38/09/1007423809.db2.gz KBUOICXHIFAPEO-DLTYFMDKSA-N 2 1 406.574 3.642 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000535366294 1007423815 /nfs/dbraw/zinc/42/38/15/1007423815.db2.gz KBUOICXHIFAPEO-DLTYFMDKSA-N 2 1 406.574 3.642 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000535366294 1007423818 /nfs/dbraw/zinc/42/38/18/1007423818.db2.gz KBUOICXHIFAPEO-DLTYFMDKSA-N 2 1 406.574 3.642 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)CC1 ZINC000535397312 1007463029 /nfs/dbraw/zinc/46/30/29/1007463029.db2.gz NIUALENPGGJVJT-RPBOFIJWSA-N 2 1 420.601 3.985 20 0 HHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000535397312 1007463032 /nfs/dbraw/zinc/46/30/32/1007463032.db2.gz NIUALENPGGJVJT-RPBOFIJWSA-N 2 1 420.601 3.985 20 0 HHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000535397312 1007463039 /nfs/dbraw/zinc/46/30/39/1007463039.db2.gz NIUALENPGGJVJT-RPBOFIJWSA-N 2 1 420.601 3.985 20 0 HHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000539221640 1007514988 /nfs/dbraw/zinc/51/49/88/1007514988.db2.gz LGXLKSZTCZHQSZ-IBGZPJMESA-N 2 1 408.468 3.944 20 0 HHADMP COc1cccc([C@@H](C)[NH2+]CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000539228698 1007521330 /nfs/dbraw/zinc/52/13/30/1007521330.db2.gz FRGDLDPVYVCXBX-VGSWGCGISA-N 2 1 415.965 3.953 20 0 HHADMP C[C@@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000533211874 1007539735 /nfs/dbraw/zinc/53/97/35/1007539735.db2.gz HJHBRFKHKQLHRP-HNNXBMFYSA-N 2 1 417.351 3.728 20 0 HHADMP C[C@H]([NH2+][C@@H](C)c1ccccc1OC(F)F)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539246917 1007540168 /nfs/dbraw/zinc/54/01/68/1007540168.db2.gz SUIXEXFTMZKZEF-JENIJYKNSA-N 2 1 417.500 3.718 20 0 HHADMP C[C@H]([NH2+][C@@H](C)c1ccccc1OC(F)F)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000539246917 1007540176 /nfs/dbraw/zinc/54/01/76/1007540176.db2.gz SUIXEXFTMZKZEF-JENIJYKNSA-N 2 1 417.500 3.718 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535655640 1007667839 /nfs/dbraw/zinc/66/78/39/1007667839.db2.gz OWAQFUHQZFXUHM-GHTZIAJQSA-N 2 1 424.992 3.893 20 0 HHADMP CCOCCC[N@H+]1CC[C@H](N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)[C@H](C)C1 ZINC000539395518 1007700557 /nfs/dbraw/zinc/70/05/57/1007700557.db2.gz PPKBKGSKZDZQQH-AKIFATBCSA-N 2 1 415.622 3.701 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)[C@H](C)C1 ZINC000539395518 1007700567 /nfs/dbraw/zinc/70/05/67/1007700567.db2.gz PPKBKGSKZDZQQH-AKIFATBCSA-N 3 1 415.622 3.701 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)[C@H](C)C1 ZINC000539395518 1007700573 /nfs/dbraw/zinc/70/05/73/1007700573.db2.gz PPKBKGSKZDZQQH-AKIFATBCSA-N 3 1 415.622 3.701 20 0 HHADMP C[C@@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535676283 1007701258 /nfs/dbraw/zinc/70/12/58/1007701258.db2.gz PMGDSWVDUNDDDZ-NRFANRHFSA-N 2 1 423.576 3.861 20 0 HHADMP C[C@H](NC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccc(F)cc1 ZINC000535679405 1007706974 /nfs/dbraw/zinc/70/69/74/1007706974.db2.gz GDKYREISJAIDFR-FQEVSTJZSA-N 2 1 409.549 3.991 20 0 HHADMP C[C@@H](NC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccc(F)cc1 ZINC000535679410 1007707421 /nfs/dbraw/zinc/70/74/21/1007707421.db2.gz GDKYREISJAIDFR-HXUWFJFHSA-N 2 1 409.549 3.991 20 0 HHADMP C[C@H](C(=O)NCCc1ccccc1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535680689 1007709615 /nfs/dbraw/zinc/70/96/15/1007709615.db2.gz LJRQITWIVUDYSN-JOCHJYFZSA-N 2 1 405.586 3.722 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535681876 1007711506 /nfs/dbraw/zinc/71/15/06/1007711506.db2.gz QQXHCOWQQBSWDV-UWJYYQICSA-N 2 1 424.992 3.892 20 0 HHADMP CC1CC[NH+](CCNC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535683961 1007714775 /nfs/dbraw/zinc/71/47/75/1007714775.db2.gz OCGVLQRKQUUVMU-YLJYHZDGSA-N 2 1 410.965 3.503 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535684346 1007715374 /nfs/dbraw/zinc/71/53/74/1007715374.db2.gz UVCMNOQSPBAABU-LQWHRVPQSA-N 2 1 422.976 3.742 20 0 HHADMP C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000533416073 1007723606 /nfs/dbraw/zinc/72/36/06/1007723606.db2.gz GZWCPMSEAOHRKL-HSALFYBXSA-N 2 1 409.574 3.988 20 0 HHADMP C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000533416073 1007723614 /nfs/dbraw/zinc/72/36/14/1007723614.db2.gz GZWCPMSEAOHRKL-HSALFYBXSA-N 2 1 409.574 3.988 20 0 HHADMP C[NH+](C)CCC1CCN(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535699969 1007735993 /nfs/dbraw/zinc/73/59/93/1007735993.db2.gz KZZGCKVDMCPPHD-GHTZIAJQSA-N 2 1 424.992 3.845 20 0 HHADMP CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535698894 1007736262 /nfs/dbraw/zinc/73/62/62/1007736262.db2.gz IBIRPNJTUPBRBL-DYESRHJHSA-N 2 1 424.992 3.988 20 0 HHADMP C[N@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535703406 1007740842 /nfs/dbraw/zinc/74/08/42/1007740842.db2.gz ZMBHMIIQHATOPI-FXAWDEMLSA-N 2 1 410.965 3.647 20 0 HHADMP CN(C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000535709088 1007749128 /nfs/dbraw/zinc/74/91/28/1007749128.db2.gz ZALYXJQUWUWJEM-QFIPXVFZSA-N 2 1 412.553 3.693 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)[C@H](C)C1 ZINC000533458282 1007770503 /nfs/dbraw/zinc/77/05/03/1007770503.db2.gz KTZYLQGWSHYDEM-JRGCBEDISA-N 2 1 407.002 3.849 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)CC1 ZINC000517651088 1007863648 /nfs/dbraw/zinc/86/36/48/1007863648.db2.gz SPCUJQUBNJETFW-CVEARBPZSA-N 2 1 404.436 3.594 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH+](CCc2cccs2)CC1)c1ccsc1 ZINC000517676465 1007892234 /nfs/dbraw/zinc/89/22/34/1007892234.db2.gz DOIACYQMGKIXQU-FQEVSTJZSA-N 2 1 420.648 3.762 20 0 HHADMP C[C@@H](C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000517717979 1007929394 /nfs/dbraw/zinc/92/93/94/1007929394.db2.gz QONAVWLDJDPODB-CVDCTZTESA-N 2 1 419.569 3.538 20 0 HHADMP C[C@@H](C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000517717979 1007929400 /nfs/dbraw/zinc/92/94/00/1007929400.db2.gz QONAVWLDJDPODB-CVDCTZTESA-N 2 1 419.569 3.538 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000539651685 1007969161 /nfs/dbraw/zinc/96/91/61/1007969161.db2.gz RKSCIKTVOJFUOR-CJFMBICVSA-N 2 1 408.590 3.608 20 0 HHADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000536057658 1008087278 /nfs/dbraw/zinc/08/72/78/1008087278.db2.gz MISLBMLVOOEZKT-QHCPKHFHSA-N 2 1 408.546 3.860 20 0 HHADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000536057658 1008087294 /nfs/dbraw/zinc/08/72/94/1008087294.db2.gz MISLBMLVOOEZKT-QHCPKHFHSA-N 2 1 408.546 3.860 20 0 HHADMP C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000518008968 1008100129 /nfs/dbraw/zinc/10/01/29/1008100129.db2.gz HLXRVODCHUCZBG-NRFANRHFSA-N 2 1 415.965 3.847 20 0 HHADMP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000518015916 1008104883 /nfs/dbraw/zinc/10/48/83/1008104883.db2.gz YQJQZAQOPNNGFS-FPOVZHCZSA-N 2 1 404.986 3.793 20 0 HHADMP COc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)[NH+]2CCCCC2)cc1 ZINC000518016673 1008105731 /nfs/dbraw/zinc/10/57/31/1008105731.db2.gz OEKRJUQMMSRXAF-REWPJTCUSA-N 2 1 414.594 3.538 20 0 HHADMP CN(c1ccccc1C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000539833227 1008127035 /nfs/dbraw/zinc/12/70/35/1008127035.db2.gz RBJNMDJKJPIJAE-FQEVSTJZSA-N 2 1 414.638 3.591 20 0 HHADMP C[C@@H]1C[N@@H+]([C@@H]2CCCc3ccc(Br)cc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000539886768 1008162522 /nfs/dbraw/zinc/16/25/22/1008162522.db2.gz OCBQCVVSOHCIIJ-TYCQWZJGSA-N 2 1 406.412 3.784 20 0 HHADMP C[C@@H]1C[N@H+]([C@@H]2CCCc3ccc(Br)cc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000539886768 1008162524 /nfs/dbraw/zinc/16/25/24/1008162524.db2.gz OCBQCVVSOHCIIJ-TYCQWZJGSA-N 2 1 406.412 3.784 20 0 HHADMP C[C@H](C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000539985549 1008221135 /nfs/dbraw/zinc/22/11/35/1008221135.db2.gz NOPAOLSZQYKECE-HXUWFJFHSA-N 2 1 406.574 3.593 20 0 HHADMP CC[N@@H+](CCC1CCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1)CC1CC1 ZINC000540014429 1008238039 /nfs/dbraw/zinc/23/80/39/1008238039.db2.gz ZAQQFZTUMGIEKG-UHFFFAOYSA-N 2 1 418.601 3.931 20 0 HHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1)CC1CC1 ZINC000540014913 1008238363 /nfs/dbraw/zinc/23/83/63/1008238363.db2.gz AWVZYWDKKKDYOI-FQEVSTJZSA-N 2 1 406.640 3.894 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NCCCC[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)cs1 ZINC000518311389 1008254546 /nfs/dbraw/zinc/25/45/46/1008254546.db2.gz ROLTVBXUTZRKOK-ROUUACIJSA-N 2 1 406.640 3.538 20 0 HHADMP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[N@H+](Cc4ccccc4)C[C@H]3C)cc2)CC1 ZINC000518365772 1008277114 /nfs/dbraw/zinc/27/71/14/1008277114.db2.gz MXFHKPYMWDBRPQ-JOCHJYFZSA-N 2 1 420.601 3.564 20 0 HHADMP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+](Cc4ccccc4)C[C@H]3C)cc2)CC1 ZINC000518365772 1008277121 /nfs/dbraw/zinc/27/71/21/1008277121.db2.gz MXFHKPYMWDBRPQ-JOCHJYFZSA-N 2 1 420.601 3.564 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(F)c(Br)c2)[C@@H](C)C1 ZINC000540143459 1008310090 /nfs/dbraw/zinc/31/00/90/1008310090.db2.gz GSQVUAXTQSFCIT-HNAYVOBHSA-N 2 1 401.364 3.857 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1F ZINC000518521827 1008336425 /nfs/dbraw/zinc/33/64/25/1008336425.db2.gz KRHIFIYABPUXQD-UHFFFAOYSA-N 2 1 401.530 3.582 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1F ZINC000518521827 1008336431 /nfs/dbraw/zinc/33/64/31/1008336431.db2.gz KRHIFIYABPUXQD-UHFFFAOYSA-N 2 1 401.530 3.582 20 0 HHADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCCOc3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000540244036 1008350368 /nfs/dbraw/zinc/35/03/68/1008350368.db2.gz GHDDOYFXGGZRPS-OALUTQOASA-N 2 1 410.986 3.699 20 0 HHADMP C[C@H]([NH2+][C@@H](C)c1ccc(OC(F)F)cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000540321661 1008379556 /nfs/dbraw/zinc/37/95/56/1008379556.db2.gz TWKWLGHJKDPJGD-ABSDTBQOSA-N 2 1 417.500 3.718 20 0 HHADMP CCn1c2ccccc2nc1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000518771688 1008417122 /nfs/dbraw/zinc/41/71/22/1008417122.db2.gz MUTRJWZUWBDMMW-UHFFFAOYSA-N 2 1 405.590 3.744 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H]2CCCc3cc(F)ccc32)c1 ZINC000540406963 1008419560 /nfs/dbraw/zinc/41/95/60/1008419560.db2.gz ZOWVVXPKCYMOFK-HSZRJFAPSA-N 2 1 411.521 3.654 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cnn(C)c2C(F)(F)F)CC1 ZINC000540408341 1008420368 /nfs/dbraw/zinc/42/03/68/1008420368.db2.gz HHVNDQLFYSYINY-CQSZACIVSA-N 2 1 413.463 3.571 20 0 HHADMP CC(C)[N@@H+](Cc1ccc(NC(=O)C[NH+](C)[C@H]2CCSC2)cc1)C[C@H]1CCCCO1 ZINC000540421696 1008426303 /nfs/dbraw/zinc/42/63/03/1008426303.db2.gz HQWXHPKCOJGVCW-FCHUYYIVSA-N 2 1 419.635 3.842 20 0 HHADMP CC(C)[N@H+](Cc1ccc(NC(=O)C[NH+](C)[C@H]2CCSC2)cc1)C[C@H]1CCCCO1 ZINC000540421696 1008426307 /nfs/dbraw/zinc/42/63/07/1008426307.db2.gz HQWXHPKCOJGVCW-FCHUYYIVSA-N 2 1 419.635 3.842 20 0 HHADMP CC(C)[NH+](Cc1ccc(NC(=O)C[N@H+](C)[C@H]2CCSC2)cc1)C[C@H]1CCCCO1 ZINC000540421696 1008426310 /nfs/dbraw/zinc/42/63/10/1008426310.db2.gz HQWXHPKCOJGVCW-FCHUYYIVSA-N 2 1 419.635 3.842 20 0 HHADMP CC(C)[NH+](Cc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCSC2)cc1)C[C@H]1CCCCO1 ZINC000540421696 1008426314 /nfs/dbraw/zinc/42/63/14/1008426314.db2.gz HQWXHPKCOJGVCW-FCHUYYIVSA-N 2 1 419.635 3.842 20 0 HHADMP C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)c3ccc(C[NH+](C)C)cc3)cc2)C[C@H]1C ZINC000540473129 1008445349 /nfs/dbraw/zinc/44/53/49/1008445349.db2.gz VIZXYETYFWVNGJ-OYRHEFFESA-N 2 1 423.601 3.687 20 0 HHADMP C[C@H]1CCC[N@@H+](CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000518862944 1008451079 /nfs/dbraw/zinc/45/10/79/1008451079.db2.gz DKSWRFPJBJVCEJ-KRWDZBQOSA-N 2 1 414.516 3.511 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N(CC[NH+](C)C)C3CCCCC3)cc2)C[C@@H](C)O1 ZINC000518892717 1008461938 /nfs/dbraw/zinc/46/19/38/1008461938.db2.gz ZLFIVCXIYNLHDH-WOJBJXKFSA-N 2 1 401.595 3.632 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000519014450 1008501807 /nfs/dbraw/zinc/50/18/07/1008501807.db2.gz MTHMXOLQZKQRKS-JOCHJYFZSA-N 2 1 412.553 3.565 20 0 HHADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000545458171 1008569924 /nfs/dbraw/zinc/56/99/24/1008569924.db2.gz VSVVXMXDHNJCAH-UHFFFAOYSA-N 2 1 420.395 3.579 20 0 HHADMP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000543070465 1008647500 /nfs/dbraw/zinc/64/75/00/1008647500.db2.gz ZUBADFMLOMWANV-GGUMNFRJSA-N 2 1 414.594 3.852 20 0 HHADMP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC)C1 ZINC000543074777 1008652394 /nfs/dbraw/zinc/65/23/94/1008652394.db2.gz XLWGUOLFZJBQFE-YOEHRIQHSA-N 2 1 409.596 3.580 20 0 HHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000549204621 1008777222 /nfs/dbraw/zinc/77/72/22/1008777222.db2.gz KWNFZMZQUVNVFM-DHIUTWEWSA-N 2 1 412.622 3.660 20 0 HHADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000549204621 1008777240 /nfs/dbraw/zinc/77/72/40/1008777240.db2.gz KWNFZMZQUVNVFM-DHIUTWEWSA-N 2 1 412.622 3.660 20 0 HHADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000549204621 1008777253 /nfs/dbraw/zinc/77/72/53/1008777253.db2.gz KWNFZMZQUVNVFM-DHIUTWEWSA-N 2 1 412.622 3.660 20 0 HHADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)cc1 ZINC000543245433 1008814352 /nfs/dbraw/zinc/81/43/52/1008814352.db2.gz GGWSKQHKZQANPO-UHFFFAOYSA-N 2 1 420.344 3.804 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccc(F)cc1 ZINC000519442946 1008819642 /nfs/dbraw/zinc/81/96/42/1008819642.db2.gz MPNHQPPARUKJMA-KNQAVFIVSA-N 2 1 401.501 3.596 20 0 HHADMP O=C1CCCN1Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000519458314 1008836578 /nfs/dbraw/zinc/83/65/78/1008836578.db2.gz BCHVVOFNDQNRLH-UHFFFAOYSA-N 2 1 409.549 3.745 20 0 HHADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000519477139 1008851282 /nfs/dbraw/zinc/85/12/82/1008851282.db2.gz NEOIQRJIXJDUKO-UHFFFAOYSA-N 2 1 417.491 3.905 20 0 HHADMP C[NH+]1CCCC[C@@H]1CC[NH+]1CCCC2(CCCN(CC[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC000519481706 1008855098 /nfs/dbraw/zinc/85/50/98/1008855098.db2.gz WRJPVZYMHCDOJZ-AEAWWFNXSA-N 3 1 404.687 3.913 20 0 HHADMP C[NH+]1CCCC[C@@H]1CCN1CCCC2(CCC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)C1 ZINC000519481706 1008855114 /nfs/dbraw/zinc/85/51/14/1008855114.db2.gz WRJPVZYMHCDOJZ-AEAWWFNXSA-N 3 1 404.687 3.913 20 0 HHADMP C[NH+]1CCCC[C@@H]1CCN1CCCC2(CCC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)C1 ZINC000519481706 1008855143 /nfs/dbraw/zinc/85/51/43/1008855143.db2.gz WRJPVZYMHCDOJZ-AEAWWFNXSA-N 3 1 404.687 3.913 20 0 HHADMP c1nc(-c2ccncc2)sc1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000519606385 1008927305 /nfs/dbraw/zinc/92/73/05/1008927305.db2.gz MHLKADKQEQKTPR-UHFFFAOYSA-N 2 1 421.614 3.893 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cnc2c(F)cccc2c1 ZINC000519699631 1008967738 /nfs/dbraw/zinc/96/77/38/1008967738.db2.gz AONPFYTYUZAYHW-UHFFFAOYSA-N 2 1 412.553 3.642 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)CCC[NH+]2CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000543399206 1008990047 /nfs/dbraw/zinc/99/00/47/1008990047.db2.gz INBPCXUFZDVFRL-SFTDATJTSA-N 2 1 408.537 3.616 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N(C)CCC[NH+]2CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000543399206 1008990056 /nfs/dbraw/zinc/99/00/56/1008990056.db2.gz INBPCXUFZDVFRL-SFTDATJTSA-N 2 1 408.537 3.616 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2C)cc1F ZINC000543405876 1009000156 /nfs/dbraw/zinc/00/01/56/1009000156.db2.gz DUPFRCRLYIPTRT-HSZRJFAPSA-N 2 1 408.521 3.791 20 0 HHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ncc(Br)cc1Br ZINC000543446044 1009032693 /nfs/dbraw/zinc/03/26/93/1009032693.db2.gz UNVVWRNSLPOXBC-UHFFFAOYSA-N 2 1 402.134 3.682 20 0 HHADMP C[C@H]([NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543458604 1009041462 /nfs/dbraw/zinc/04/14/62/1009041462.db2.gz GYADJAKHYMLBEG-LZLYRXPVSA-N 2 1 400.485 3.688 20 0 HHADMP C[NH+](C)C[C@@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000549453467 1009044056 /nfs/dbraw/zinc/04/40/56/1009044056.db2.gz CKSUFZBWSHCMFO-LEWJYISDSA-N 2 1 400.954 3.516 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cc3c(cc2OC)OCO3)CC1 ZINC000546058288 1009082231 /nfs/dbraw/zinc/08/22/31/1009082231.db2.gz NGJRIXWMUJAXDX-INIZCTEOSA-N 2 1 415.509 3.556 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549522849 1009132374 /nfs/dbraw/zinc/13/23/74/1009132374.db2.gz GIOZJNCIXZOVKF-YGOYIFOWSA-N 2 1 407.558 3.629 20 0 HHADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000549589724 1009217074 /nfs/dbraw/zinc/21/70/74/1009217074.db2.gz VNFCBHFJUBITAY-YADHBBJMSA-N 2 1 400.611 3.803 20 0 HHADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549589724 1009217084 /nfs/dbraw/zinc/21/70/84/1009217084.db2.gz VNFCBHFJUBITAY-YADHBBJMSA-N 2 1 400.611 3.803 20 0 HHADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549589724 1009217093 /nfs/dbraw/zinc/21/70/93/1009217093.db2.gz VNFCBHFJUBITAY-YADHBBJMSA-N 2 1 400.611 3.803 20 0 HHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cc(Br)cs2)c2cccs2)CC1 ZINC000520190803 1009331224 /nfs/dbraw/zinc/33/12/24/1009331224.db2.gz MENLQOWEAOWDQT-OAHLLOKOSA-N 2 1 400.411 3.650 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000543812830 1009375398 /nfs/dbraw/zinc/37/53/98/1009375398.db2.gz DELMSKZIMVDTEX-SBUREZEXSA-N 2 1 422.504 3.571 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)cc1 ZINC000543814696 1009378656 /nfs/dbraw/zinc/37/86/56/1009378656.db2.gz NNLPVMUWNCADHL-PGRDOPGGSA-N 2 1 403.530 3.859 20 0 HHADMP CC[C@H](C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000549822489 1009432865 /nfs/dbraw/zinc/43/28/65/1009432865.db2.gz SWNSCZMAPKVZKG-RUZDIDTESA-N 2 1 423.601 3.934 20 0 HHADMP CC[NH+](CC)CCCC1CCN(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)CC1 ZINC000543896429 1009478637 /nfs/dbraw/zinc/47/86/37/1009478637.db2.gz WDBOFNURNVTSLP-UHFFFAOYSA-N 2 1 401.555 3.568 20 0 HHADMP C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000543907636 1009492766 /nfs/dbraw/zinc/49/27/66/1009492766.db2.gz SKAUDDZWIWXJOG-OALUTQOASA-N 2 1 410.965 3.786 20 0 HHADMP C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000543907636 1009492775 /nfs/dbraw/zinc/49/27/75/1009492775.db2.gz SKAUDDZWIWXJOG-OALUTQOASA-N 2 1 410.965 3.786 20 0 HHADMP C[NH+](C)[C@H](C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(Cl)c1 ZINC000520398643 1009533128 /nfs/dbraw/zinc/53/31/28/1009533128.db2.gz KNGNHBWCYUYSGB-QFIPXVFZSA-N 2 1 415.965 3.734 20 0 HHADMP C[C@H](NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000544041469 1009644328 /nfs/dbraw/zinc/64/43/28/1009644328.db2.gz NCZUXFBBXUZSGW-WPVAHCMFSA-N 2 1 414.594 3.548 20 0 HHADMP C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1=O ZINC000550105655 1009704582 /nfs/dbraw/zinc/70/45/82/1009704582.db2.gz QNKREZHGSOICSJ-SRPRTCBCSA-N 2 1 421.560 3.942 20 0 HHADMP C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1=O ZINC000550105655 1009704593 /nfs/dbraw/zinc/70/45/93/1009704593.db2.gz QNKREZHGSOICSJ-SRPRTCBCSA-N 2 1 421.560 3.942 20 0 HHADMP C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1=O ZINC000550105655 1009704605 /nfs/dbraw/zinc/70/46/05/1009704605.db2.gz QNKREZHGSOICSJ-SRPRTCBCSA-N 2 1 421.560 3.942 20 0 HHADMP Cc1ccc2nc(C[NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CC34CCOCC4)cn2c1 ZINC000550269631 1009820009 /nfs/dbraw/zinc/82/00/09/1009820009.db2.gz LRQJWRHMSLNBKR-QFIPXVFZSA-N 2 1 404.558 3.661 20 0 HHADMP Cc1ccc2nc(C[NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CC34CCOCC4)cn2c1 ZINC000550269631 1009820027 /nfs/dbraw/zinc/82/00/27/1009820027.db2.gz LRQJWRHMSLNBKR-QFIPXVFZSA-N 2 1 404.558 3.661 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1ccco1 ZINC000520878480 1009933638 /nfs/dbraw/zinc/93/36/38/1009933638.db2.gz CACZNAWQWVKPDL-OAQYLSRUSA-N 2 1 404.599 3.960 20 0 HHADMP C[C@@H]([NH2+]CCN1c2cccc3cccc(c23)S1(=O)=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544419733 1010037885 /nfs/dbraw/zinc/03/78/85/1010037885.db2.gz LFDMBIOYPJZDRY-IEBWSBKVSA-N 2 1 413.587 3.591 20 0 HHADMP C[C@@H]([NH2+]CCN1c2cccc3cccc(c23)S1(=O)=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544419733 1010037898 /nfs/dbraw/zinc/03/78/98/1010037898.db2.gz LFDMBIOYPJZDRY-IEBWSBKVSA-N 2 1 413.587 3.591 20 0 HHADMP Cc1cnc([C@@H]([NH2+][C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C2CC2)s1 ZINC000544421178 1010040363 /nfs/dbraw/zinc/04/03/63/1010040363.db2.gz ITMYQEOSOVVSFD-UWJYYQICSA-N 2 1 412.603 3.662 20 0 HHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2Br)C[C@H]1c1ccccc1 ZINC000550700188 1010111476 /nfs/dbraw/zinc/11/14/76/1010111476.db2.gz TYRYOGYELLILPZ-NSHGMRRFSA-N 2 1 419.363 3.614 20 0 HHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2Br)C[C@H]1c1ccccc1 ZINC000550700188 1010111481 /nfs/dbraw/zinc/11/14/81/1010111481.db2.gz TYRYOGYELLILPZ-NSHGMRRFSA-N 2 1 419.363 3.614 20 0 HHADMP C[C@@H](c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000521144534 1010171009 /nfs/dbraw/zinc/17/10/09/1010171009.db2.gz PSAVZSQBHZEXIP-NZQKXSOJSA-N 2 1 407.558 3.931 20 0 HHADMP C[C@@H](c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000521144534 1010171021 /nfs/dbraw/zinc/17/10/21/1010171021.db2.gz PSAVZSQBHZEXIP-NZQKXSOJSA-N 2 1 407.558 3.931 20 0 HHADMP CCOC(=O)C1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000550881852 1010239135 /nfs/dbraw/zinc/23/91/35/1010239135.db2.gz DVAGPJDJKCQXBU-OOMBGRCJSA-N 2 1 414.590 3.627 20 0 HHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000550937279 1010267266 /nfs/dbraw/zinc/26/72/66/1010267266.db2.gz FXUUKBKIGYPPHU-UHFFFAOYSA-N 2 1 401.576 3.591 20 0 HHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccccc2C[NH+]2CC[C@@H](O)C2)CC1 ZINC000550938247 1010267824 /nfs/dbraw/zinc/26/78/24/1010267824.db2.gz TUGKDMVHCPBJMP-NRUKRLKBSA-N 3 1 407.602 3.786 20 0 HHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000550938247 1010267837 /nfs/dbraw/zinc/26/78/37/1010267837.db2.gz TUGKDMVHCPBJMP-NRUKRLKBSA-N 3 1 407.602 3.786 20 0 HHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000550938247 1010267851 /nfs/dbraw/zinc/26/78/51/1010267851.db2.gz TUGKDMVHCPBJMP-NRUKRLKBSA-N 3 1 407.602 3.786 20 0 HHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000551020856 1010322326 /nfs/dbraw/zinc/32/23/26/1010322326.db2.gz RODQYTCUFXRMFI-SFHVURJKSA-N 2 1 401.576 3.923 20 0 HHADMP O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000521349701 1010325048 /nfs/dbraw/zinc/32/50/48/1010325048.db2.gz SHYMKDCICNLTGL-JOCHJYFZSA-N 2 1 419.013 3.868 20 0 HHADMP C[C@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547508239 1010333555 /nfs/dbraw/zinc/33/35/55/1010333555.db2.gz DOGLONPTPQVJMI-HARLFGEKSA-N 2 1 419.548 3.899 20 0 HHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)N3CCCCC3)c2)[C@@H](C)C1 ZINC000547842964 1010445900 /nfs/dbraw/zinc/44/59/00/1010445900.db2.gz DKDOVUYYSSEMEN-NZQKXSOJSA-N 2 1 401.595 3.539 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)N3CCCCC3)c2)[C@@H](C)C1 ZINC000547842964 1010445906 /nfs/dbraw/zinc/44/59/06/1010445906.db2.gz DKDOVUYYSSEMEN-NZQKXSOJSA-N 2 1 401.595 3.539 20 0 HHADMP COc1cc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c(F)cn1 ZINC000551258310 1010474576 /nfs/dbraw/zinc/47/45/76/1010474576.db2.gz FQDIKXGCCJSQJM-ICSRJNTNSA-N 2 1 413.537 3.809 20 0 HHADMP COc1cc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c(F)cn1 ZINC000551258310 1010474578 /nfs/dbraw/zinc/47/45/78/1010474578.db2.gz FQDIKXGCCJSQJM-ICSRJNTNSA-N 2 1 413.537 3.809 20 0 HHADMP CN1c2ccccc2[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CC1=O ZINC000551263125 1010479810 /nfs/dbraw/zinc/47/98/10/1010479810.db2.gz MVBUHHKPLJGLFL-GMAHTHKFSA-N 2 1 419.569 3.613 20 0 HHADMP CN1c2ccccc2[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CC1=O ZINC000551263125 1010479813 /nfs/dbraw/zinc/47/98/13/1010479813.db2.gz MVBUHHKPLJGLFL-GMAHTHKFSA-N 2 1 419.569 3.613 20 0 HHADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000544942713 1010507259 /nfs/dbraw/zinc/50/72/59/1010507259.db2.gz GLPPVGXMHNTCMN-PMACEKPBSA-N 2 1 420.395 3.579 20 0 HHADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000544942713 1010507269 /nfs/dbraw/zinc/50/72/69/1010507269.db2.gz GLPPVGXMHNTCMN-PMACEKPBSA-N 2 1 420.395 3.579 20 0 HHADMP CCc1nc(C[NH+]2CCC(CNC(=O)CC[N@H+](C)C3CCCCC3)CC2)cs1 ZINC000548061030 1010517070 /nfs/dbraw/zinc/51/70/70/1010517070.db2.gz ORVAOXUQFQOXMY-UHFFFAOYSA-N 2 1 406.640 3.688 20 0 HHADMP CCc1nc(C[NH+]2CCC(CNC(=O)CC[N@@H+](C)C3CCCCC3)CC2)cs1 ZINC000548061030 1010517079 /nfs/dbraw/zinc/51/70/79/1010517079.db2.gz ORVAOXUQFQOXMY-UHFFFAOYSA-N 2 1 406.640 3.688 20 0 HHADMP C[C@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000521797475 1010625936 /nfs/dbraw/zinc/62/59/36/1010625936.db2.gz UUTYCWNQDCIETQ-CEXWTWQISA-N 2 1 400.567 3.701 20 0 HHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2csc(Br)c2)c2cccs2)CC1 ZINC000521804585 1010631193 /nfs/dbraw/zinc/63/11/93/1010631193.db2.gz SXMZPZWKMVPJNU-AWEZNQCLSA-N 2 1 400.411 3.650 20 0 HHADMP CC[N@@H+](Cc1ccc(-c2nc(-c3cccc(N4CC[NH+](C)CC4)n3)no2)cc1)C(C)C ZINC000545127165 1010632429 /nfs/dbraw/zinc/63/24/29/1010632429.db2.gz RMTMKGWKNRGLRC-UHFFFAOYSA-N 2 1 420.561 3.781 20 0 HHADMP CC[NH+](CC)CCCNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000521809108 1010633814 /nfs/dbraw/zinc/63/38/14/1010633814.db2.gz VKDPFUQWMUSTCP-UHFFFAOYSA-N 2 1 415.409 3.989 20 0 HHADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCc3nc(-c4ccccc4Br)sc32)C1 ZINC000545161532 1010658782 /nfs/dbraw/zinc/65/87/82/1010658782.db2.gz YZVYMFVHOYIQFZ-KXBFYZLASA-N 2 1 422.392 3.606 20 0 HHADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCc3nc(-c4ccccc4Br)sc32)C1 ZINC000545161532 1010658787 /nfs/dbraw/zinc/65/87/87/1010658787.db2.gz YZVYMFVHOYIQFZ-KXBFYZLASA-N 2 1 422.392 3.606 20 0 HHADMP C[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000551703254 1010749452 /nfs/dbraw/zinc/74/94/52/1010749452.db2.gz VNNOYZNKNFGURY-UCGXPXSYSA-N 2 1 407.602 3.778 20 0 HHADMP C[C@H](NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000551703254 1010749470 /nfs/dbraw/zinc/74/94/70/1010749470.db2.gz VNNOYZNKNFGURY-UCGXPXSYSA-N 2 1 407.602 3.778 20 0 HHADMP C[C@H](NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000551703254 1010749479 /nfs/dbraw/zinc/74/94/79/1010749479.db2.gz VNNOYZNKNFGURY-UCGXPXSYSA-N 2 1 407.602 3.778 20 0 HHADMP C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000551703254 1010749490 /nfs/dbraw/zinc/74/94/90/1010749490.db2.gz VNNOYZNKNFGURY-UCGXPXSYSA-N 2 1 407.602 3.778 20 0 HHADMP C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000551703254 1010749501 /nfs/dbraw/zinc/74/95/01/1010749501.db2.gz VNNOYZNKNFGURY-UCGXPXSYSA-N 2 1 407.602 3.778 20 0 HHADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000522092917 1010806206 /nfs/dbraw/zinc/80/62/06/1010806206.db2.gz XUPGSWJPCCATHW-FQEVSTJZSA-N 2 1 416.610 3.583 20 0 HHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000522092917 1010806211 /nfs/dbraw/zinc/80/62/11/1010806211.db2.gz XUPGSWJPCCATHW-FQEVSTJZSA-N 2 1 416.610 3.583 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000522631458 1011124921 /nfs/dbraw/zinc/12/49/21/1011124921.db2.gz PKUWFMZZPUOSET-VAMGGRTRSA-N 2 1 406.640 3.627 20 0 HHADMP CN(C)c1ncc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000522756566 1011197894 /nfs/dbraw/zinc/19/78/94/1011197894.db2.gz ZZSGOUXQAMEZPP-HKUYNNGSSA-N 2 1 407.484 3.734 20 0 HHADMP CN(C)c1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000522756566 1011197898 /nfs/dbraw/zinc/19/78/98/1011197898.db2.gz ZZSGOUXQAMEZPP-HKUYNNGSSA-N 2 1 407.484 3.734 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000536162104 1011291123 /nfs/dbraw/zinc/29/11/23/1011291123.db2.gz ZLMNBKFOHHRCAU-FOVJLYNBSA-N 2 1 406.574 3.957 20 0 HHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000522886794 1011332877 /nfs/dbraw/zinc/33/28/77/1011332877.db2.gz LZLDOEJOESXYPM-QHCPKHFHSA-N 2 1 400.611 3.601 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540719213 1011371453 /nfs/dbraw/zinc/37/14/53/1011371453.db2.gz ZJQIAARKRRQGFQ-ONGXBYRLSA-N 2 1 422.976 3.786 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540719213 1011371458 /nfs/dbraw/zinc/37/14/58/1011371458.db2.gz ZJQIAARKRRQGFQ-ONGXBYRLSA-N 2 1 422.976 3.786 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540719213 1011371468 /nfs/dbraw/zinc/37/14/68/1011371468.db2.gz ZJQIAARKRRQGFQ-ONGXBYRLSA-N 2 1 422.976 3.786 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540719213 1011371472 /nfs/dbraw/zinc/37/14/72/1011371472.db2.gz ZJQIAARKRRQGFQ-ONGXBYRLSA-N 2 1 422.976 3.786 20 0 HHADMP c1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(CN4CCOCC4)cc3)no2)cc1 ZINC000536302014 1011490944 /nfs/dbraw/zinc/49/09/44/1011490944.db2.gz JLFJJJJIZYTIJR-QFIPXVFZSA-N 2 1 404.514 3.906 20 0 HHADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000540862651 1011532463 /nfs/dbraw/zinc/53/24/63/1011532463.db2.gz GIIGYMFYDZMULX-ORYQWCPZSA-N 2 1 424.992 3.986 20 0 HHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000540862651 1011532477 /nfs/dbraw/zinc/53/24/77/1011532477.db2.gz GIIGYMFYDZMULX-ORYQWCPZSA-N 2 1 424.992 3.986 20 0 HHADMP CC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000540862651 1011532491 /nfs/dbraw/zinc/53/24/91/1011532491.db2.gz GIIGYMFYDZMULX-ORYQWCPZSA-N 2 1 424.992 3.986 20 0 HHADMP CC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000540862651 1011532500 /nfs/dbraw/zinc/53/25/00/1011532500.db2.gz GIIGYMFYDZMULX-ORYQWCPZSA-N 2 1 424.992 3.986 20 0 HHADMP C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000536357254 1011565774 /nfs/dbraw/zinc/56/57/74/1011565774.db2.gz YMSYRVJKYISFIC-ACRUOGEOSA-N 2 1 404.986 3.745 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000536357254 1011565781 /nfs/dbraw/zinc/56/57/81/1011565781.db2.gz YMSYRVJKYISFIC-ACRUOGEOSA-N 2 1 404.986 3.745 20 0 HHADMP C[N@H+]1CC[C@@H](CNC(=O)NCCC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536460770 1011681249 /nfs/dbraw/zinc/68/12/49/1011681249.db2.gz YIOCYMZMINURDP-PXNSSMCTSA-N 2 1 410.965 3.503 20 0 HHADMP CN(c1ccccc1C[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O)C1CC[NH+](C)CC1 ZINC000536676723 1011838099 /nfs/dbraw/zinc/83/80/99/1011838099.db2.gz LTUHAOWFAQIQBZ-XMMPIXPASA-N 2 1 424.564 3.593 20 0 HHADMP CN(c1ccccc1C[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O)C1CC[NH+](C)CC1 ZINC000536676723 1011838128 /nfs/dbraw/zinc/83/81/28/1011838128.db2.gz LTUHAOWFAQIQBZ-XMMPIXPASA-N 2 1 424.564 3.593 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2cccc3cc[nH]c32)CC1)Cc1ccccc1 ZINC000536678543 1011839757 /nfs/dbraw/zinc/83/97/57/1011839757.db2.gz GDYBMAIKBPBRGH-UHFFFAOYSA-N 2 1 404.558 3.628 20 0 HHADMP CCCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(OCCC)c1 ZINC000536710485 1011882752 /nfs/dbraw/zinc/88/27/52/1011882752.db2.gz NUCXPZSWGAAJSD-QFIPXVFZSA-N 2 1 403.611 3.865 20 0 HHADMP C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536724295 1011896549 /nfs/dbraw/zinc/89/65/49/1011896549.db2.gz FCZDEESPUJBLBB-INIZCTEOSA-N 2 1 402.489 3.925 20 0 HHADMP CC1CC[NH+](CCCNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000523470796 1011979120 /nfs/dbraw/zinc/97/91/20/1011979120.db2.gz OVXXHIIJUDHDGT-GMAHTHKFSA-N 2 1 400.611 3.803 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H](NCC4([NH+]5CCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000552047561 1012067630 /nfs/dbraw/zinc/06/76/30/1012067630.db2.gz QTRMYLSACQRTPX-CCDWMCETSA-N 2 1 411.634 3.912 20 0 HHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CC4(N5CCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000552047561 1012067644 /nfs/dbraw/zinc/06/76/44/1012067644.db2.gz QTRMYLSACQRTPX-CCDWMCETSA-N 2 1 411.634 3.912 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CC4(N5CCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000552047561 1012067659 /nfs/dbraw/zinc/06/76/59/1012067659.db2.gz QTRMYLSACQRTPX-CCDWMCETSA-N 2 1 411.634 3.912 20 0 HHADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000536864404 1012100006 /nfs/dbraw/zinc/10/00/06/1012100006.db2.gz RFXKNMIIIALHRO-KNQAVFIVSA-N 2 1 421.651 3.850 20 0 HHADMP O=C(C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523609292 1012178816 /nfs/dbraw/zinc/17/88/16/1012178816.db2.gz FOAJWZWALVSOAI-XMMPIXPASA-N 2 1 409.549 3.745 20 0 HHADMP Cc1ccc(OCCC[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1C ZINC000536935080 1012226510 /nfs/dbraw/zinc/22/65/10/1012226510.db2.gz MDHAJGTURZBBAC-VXKWHMMOSA-N 2 1 404.595 3.663 20 0 HHADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000541467307 1012231229 /nfs/dbraw/zinc/23/12/29/1012231229.db2.gz GWDCLQDSWHPEJB-TZIWHRDSSA-N 2 1 400.611 3.977 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000541467307 1012231243 /nfs/dbraw/zinc/23/12/43/1012231243.db2.gz GWDCLQDSWHPEJB-TZIWHRDSSA-N 2 1 400.611 3.977 20 0 HHADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c(C)c1OC ZINC000552238901 1012248052 /nfs/dbraw/zinc/24/80/52/1012248052.db2.gz PCUHPNDRBNOTCJ-YLJYHZDGSA-N 2 1 417.619 3.583 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000536999183 1012300751 /nfs/dbraw/zinc/30/07/51/1012300751.db2.gz BKWKUWFGXGAEIT-SFHVURJKSA-N 2 1 401.576 3.561 20 0 HHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000523876592 1012573203 /nfs/dbraw/zinc/57/32/03/1012573203.db2.gz MISWDNNKHPEPRD-YRPNKDGESA-N 2 1 406.640 3.626 20 0 HHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000523876592 1012573215 /nfs/dbraw/zinc/57/32/15/1012573215.db2.gz MISWDNNKHPEPRD-YRPNKDGESA-N 2 1 406.640 3.626 20 0 HHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000523876592 1012573230 /nfs/dbraw/zinc/57/32/30/1012573230.db2.gz MISWDNNKHPEPRD-YRPNKDGESA-N 2 1 406.640 3.626 20 0 HHADMP COc1ccc([C@H](C)[N@H+](C)CC(=O)N2CCC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000537258813 1012708436 /nfs/dbraw/zinc/70/84/36/1012708436.db2.gz HEMMHFWEYAJKHS-NRFANRHFSA-N 2 1 409.574 3.731 20 0 HHADMP COc1ccc([C@H](C)[N@@H+](C)CC(=O)N2CCC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000537258813 1012708454 /nfs/dbraw/zinc/70/84/54/1012708454.db2.gz HEMMHFWEYAJKHS-NRFANRHFSA-N 2 1 409.574 3.731 20 0 HHADMP COc1ccc([C@H](C)[NH+](C)CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)cc1 ZINC000537258813 1012708466 /nfs/dbraw/zinc/70/84/66/1012708466.db2.gz HEMMHFWEYAJKHS-NRFANRHFSA-N 2 1 409.574 3.731 20 0 HHADMP COc1ccc([C@H](C)[NH+](C)CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)cc1 ZINC000537258813 1012708485 /nfs/dbraw/zinc/70/84/85/1012708485.db2.gz HEMMHFWEYAJKHS-NRFANRHFSA-N 2 1 409.574 3.731 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)NCC2=CC[N@@H+](C)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000537271838 1012725470 /nfs/dbraw/zinc/72/54/70/1012725470.db2.gz CACOCYSTFFGXSX-QUCCMNQESA-N 2 1 424.511 3.649 20 0 HHADMP C[NH+]1CC=C(CNC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000537271838 1012725484 /nfs/dbraw/zinc/72/54/84/1012725484.db2.gz CACOCYSTFFGXSX-QUCCMNQESA-N 2 1 424.511 3.649 20 0 HHADMP C[NH+]1CC=C(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000537271838 1012725494 /nfs/dbraw/zinc/72/54/94/1012725494.db2.gz CACOCYSTFFGXSX-QUCCMNQESA-N 2 1 424.511 3.649 20 0 HHADMP CC[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C(c1ccccc1)c1ccccc1 ZINC000552717620 1012727835 /nfs/dbraw/zinc/72/78/35/1012727835.db2.gz VTXGOSSHVGBLEX-DEOSSOPVSA-N 2 1 423.601 3.571 20 0 HHADMP CC[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C(c1ccccc1)c1ccccc1 ZINC000552717620 1012727846 /nfs/dbraw/zinc/72/78/46/1012727846.db2.gz VTXGOSSHVGBLEX-DEOSSOPVSA-N 2 1 423.601 3.571 20 0 HHADMP CC[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C(c1ccccc1)c1ccccc1 ZINC000552717620 1012727868 /nfs/dbraw/zinc/72/78/68/1012727868.db2.gz VTXGOSSHVGBLEX-DEOSSOPVSA-N 2 1 423.601 3.571 20 0 HHADMP CCC[C@H]([NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1)c1ccccc1 ZINC000537287679 1012743577 /nfs/dbraw/zinc/74/35/77/1012743577.db2.gz INQSWRPSCDXHLH-DEOSSOPVSA-N 2 1 409.574 3.861 20 0 HHADMP CCC[C@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1)c1ccccc1 ZINC000537287679 1012743598 /nfs/dbraw/zinc/74/35/98/1012743598.db2.gz INQSWRPSCDXHLH-DEOSSOPVSA-N 2 1 409.574 3.861 20 0 HHADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C12CCCCC2 ZINC000537295622 1012753485 /nfs/dbraw/zinc/75/34/85/1012753485.db2.gz NEYFVWLXEJKDLA-DNVJHFABSA-N 2 1 413.606 3.601 20 0 HHADMP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cnn1-c1ccc(F)cc1 ZINC000541918441 1012775751 /nfs/dbraw/zinc/77/57/51/1012775751.db2.gz BBIMBRDFAZRKFO-SBUREZEXSA-N 2 1 408.521 3.737 20 0 HHADMP CCOc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000541952084 1012813748 /nfs/dbraw/zinc/81/37/48/1012813748.db2.gz OREULWYADDXOOF-GOSISDBHSA-N 2 1 406.530 3.889 20 0 HHADMP CCOc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000541952085 1012814175 /nfs/dbraw/zinc/81/41/75/1012814175.db2.gz OREULWYADDXOOF-SFHVURJKSA-N 2 1 406.530 3.889 20 0 HHADMP CCOc1cc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc(Cl)c1O ZINC000552830007 1012839889 /nfs/dbraw/zinc/83/98/89/1012839889.db2.gz WJRJPRHFQJJUCB-MRXNPFEDSA-N 2 1 404.938 3.955 20 0 HHADMP CCOc1cc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc(Cl)c1O ZINC000552830007 1012839910 /nfs/dbraw/zinc/83/99/10/1012839910.db2.gz WJRJPRHFQJJUCB-MRXNPFEDSA-N 2 1 404.938 3.955 20 0 HHADMP CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000524160577 1012952847 /nfs/dbraw/zinc/95/28/47/1012952847.db2.gz DGRYZYAYYOHXNT-KURKYZTESA-N 2 1 405.608 3.557 20 0 HHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3cccc(OC(F)F)c3)CC2)CC1 ZINC000552998331 1012973484 /nfs/dbraw/zinc/97/34/84/1012973484.db2.gz ANZWFFYZXAPFBW-MRXNPFEDSA-N 2 1 409.521 3.662 20 0 HHADMP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cc(Cl)sc1Cl ZINC000537486757 1012998456 /nfs/dbraw/zinc/99/84/56/1012998456.db2.gz PIXBLVBHLALQCS-BBRMVZONSA-N 2 1 414.402 3.995 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000524193471 1012999088 /nfs/dbraw/zinc/99/90/88/1012999088.db2.gz UIDAIGTWDSNYJF-FQEVSTJZSA-N 2 1 406.574 3.570 20 0 HHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc3ccccc3nc2N2CCOCC2)c1 ZINC000729682304 1071798393 /nfs/dbraw/zinc/79/83/93/1071798393.db2.gz MUXIGHQPHYRJOS-UHFFFAOYSA-N 2 1 404.558 3.813 20 0 HHADMP CCOc1cc2[nH+]ccc(N3CCN(C[C@H]4CCCC[N@H+]4C)CC3)c2cc1OCC ZINC000488206852 1072127037 /nfs/dbraw/zinc/12/70/37/1072127037.db2.gz AHBMNPQQHKYQLY-LJQANCHMSA-N 2 1 412.578 3.639 20 0 HHADMP Cn1nccc1[C@@H]1CCC[NH+](CCCCCC[N@@H+]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000729815093 1072129987 /nfs/dbraw/zinc/12/99/87/1072129987.db2.gz NUIIQKIVJOUFQN-SZPZYZBQSA-N 2 1 412.626 3.773 20 0 HHADMP Cn1nccc1[C@@H]1CCC[N@@H+](CCCCCC[NH+]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000729815093 1072129989 /nfs/dbraw/zinc/12/99/89/1072129989.db2.gz NUIIQKIVJOUFQN-SZPZYZBQSA-N 2 1 412.626 3.773 20 0 HHADMP Cn1nccc1[C@@H]1CCC[N@H+](CCCCCC[NH+]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000729815093 1072129991 /nfs/dbraw/zinc/12/99/91/1072129991.db2.gz NUIIQKIVJOUFQN-SZPZYZBQSA-N 2 1 412.626 3.773 20 0 HHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)NC(=O)Nc2ccc(C)cc2C)CC1)CC1CC1 ZINC000536738424 1072193365 /nfs/dbraw/zinc/19/33/65/1072193365.db2.gz SUOBJKHWZOOKAJ-UHFFFAOYSA-N 2 1 414.594 3.786 20 0 HHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc(I)cc2)no1 ZINC001212142898 1072357459 /nfs/dbraw/zinc/35/74/59/1072357459.db2.gz VVSHKYWESBWDSB-AWEZNQCLSA-N 2 1 414.291 3.509 20 0 HHADMP Cc1cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)cc(F)c1F ZINC001143599463 1072436457 /nfs/dbraw/zinc/43/64/57/1072436457.db2.gz FIVYDQBNDPIXIW-FQEVSTJZSA-N 2 1 401.501 3.924 20 0 HHADMP C[N@H+](Cc1ccccc1)C[C@H](C[NH+]1CCC(N2CCCNC2=O)CC1)c1ccccc1 ZINC001168296873 1072451591 /nfs/dbraw/zinc/45/15/91/1072451591.db2.gz ZANBIRHXCZNUOU-XMMPIXPASA-N 2 1 420.601 3.782 20 0 HHADMP CC(C)CCN1[C@@]2(CC[N@H+](C3CCC([NH+](C)C)CC3)C2)c2ccccc2S1(=O)=O ZINC001168318897 1072497241 /nfs/dbraw/zinc/49/72/41/1072497241.db2.gz HVSPOIPTKKWUFK-YABDQXBESA-N 2 1 419.635 3.511 20 0 HHADMP Cc1[nH+]ccn1CC(=O)c1cccc(-c2noc([C@H]3CCCC[C@]34CC[NH2+]C4)n2)c1 ZINC001212118378 1072530462 /nfs/dbraw/zinc/53/04/62/1072530462.db2.gz LFMRMJAWXOJLMQ-AUSIDOKSSA-N 2 1 405.502 3.762 20 0 HHADMP COc1c(Br)cc(F)cc1-c1noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n1 ZINC001212145318 1072544409 /nfs/dbraw/zinc/54/44/09/1072544409.db2.gz PSRQEJJSABUCMZ-AWEZNQCLSA-N 2 1 415.307 3.815 20 0 HHADMP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000571328350 1072604043 /nfs/dbraw/zinc/60/40/43/1072604043.db2.gz LHSRQWAKACXPOP-YOEHRIQHSA-N 2 1 409.596 3.579 20 0 HHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)CC2)n[nH]1 ZINC000571574765 1072661245 /nfs/dbraw/zinc/66/12/45/1072661245.db2.gz CIQJEUIEXKDYKC-GMKZXUHWSA-N 2 1 407.606 3.967 20 0 HHADMP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000571721347 1072710824 /nfs/dbraw/zinc/71/08/24/1072710824.db2.gz JFFKUTOKWOABPH-UHFFFAOYSA-N 2 1 415.475 3.659 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000479409601 1072831671 /nfs/dbraw/zinc/83/16/71/1072831671.db2.gz FVSOIMCXUAZCBY-REWPJTCUSA-N 2 1 400.611 3.975 20 0 HHADMP C[C@H](NC(=O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccc2ccccc2c1 ZINC000588711364 1073156131 /nfs/dbraw/zinc/15/61/31/1073156131.db2.gz ZOCARQRNPHLJRL-NJYVYQBISA-N 2 1 423.601 3.838 20 0 HHADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588709480 1073156140 /nfs/dbraw/zinc/15/61/40/1073156140.db2.gz BWSJPLRUVIIJJR-JZXOWHBKSA-N 2 1 407.986 3.797 20 0 HHADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588709480 1073156141 /nfs/dbraw/zinc/15/61/41/1073156141.db2.gz BWSJPLRUVIIJJR-JZXOWHBKSA-N 2 1 407.986 3.797 20 0 HHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000588770606 1073202161 /nfs/dbraw/zinc/20/21/61/1073202161.db2.gz UPOMRSPTXMRWCI-QFIPXVFZSA-N 2 1 415.626 3.913 20 0 HHADMP C[NH+](C)C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000555186288 1073249036 /nfs/dbraw/zinc/24/90/36/1073249036.db2.gz QYIZFSGIWNGPDL-QHAWAJNXSA-N 2 1 400.954 3.687 20 0 HHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000555215745 1073267433 /nfs/dbraw/zinc/26/74/33/1073267433.db2.gz YTZITEHWBSXMLO-HSZRJFAPSA-N 2 1 412.622 3.947 20 0 HHADMP O[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000572452362 1073291363 /nfs/dbraw/zinc/29/13/63/1073291363.db2.gz JCUQOVRNHFYGSU-UNMCSNQZSA-N 2 1 402.966 3.972 20 0 HHADMP Cc1nc(C(C)C)ccc1CN1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000555334582 1073341432 /nfs/dbraw/zinc/34/14/32/1073341432.db2.gz XTBWBPFXFKVQHR-JOCHJYFZSA-N 2 1 407.606 3.943 20 0 HHADMP c1ccc(C[N@H+]2C[C@H](C[NH2+]Cc3cccc4c3OCCCO4)C3(C2)CCOCC3)cc1 ZINC000555619097 1073684182 /nfs/dbraw/zinc/68/41/82/1073684182.db2.gz YADNDBQYNZOPFT-QHCPKHFHSA-N 2 1 422.569 3.866 20 0 HHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]Cc3cccc4c3OCCCO4)C3(C2)CCOCC3)cc1 ZINC000555619097 1073684184 /nfs/dbraw/zinc/68/41/84/1073684184.db2.gz YADNDBQYNZOPFT-QHCPKHFHSA-N 2 1 422.569 3.866 20 0 HHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000590395805 1073782222 /nfs/dbraw/zinc/78/22/22/1073782222.db2.gz HXWPNLALVCJXRR-OFVILXPXSA-N 2 1 420.601 3.988 20 0 HHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000590395805 1073782228 /nfs/dbraw/zinc/78/22/28/1073782228.db2.gz HXWPNLALVCJXRR-OFVILXPXSA-N 2 1 420.601 3.988 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000590786603 1074004101 /nfs/dbraw/zinc/00/41/01/1074004101.db2.gz HNFLCXOLPHYXQN-HNNXBMFYSA-N 2 1 401.473 3.964 20 0 HHADMP c1cc([C@@H]2CCC[NH+](Cc3ccccc3C[N@H+]3CCC[C@@H](c4cc[nH]n4)C3)C2)n[nH]1 ZINC000590926737 1074039915 /nfs/dbraw/zinc/03/99/15/1074039915.db2.gz OQIPEEKFDZPYPF-FGZHOGPDSA-N 2 1 404.562 3.892 20 0 HHADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)C2)n(C)n1 ZINC000446924243 1074107233 /nfs/dbraw/zinc/10/72/33/1074107233.db2.gz DVNMFJDVGIXJIK-NEWJYFPISA-N 2 1 407.606 3.588 20 0 HHADMP Cc1cc(=O)oc2ccc(NC(=O)[C@@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C(C)C)cc12 ZINC001168368921 1074165490 /nfs/dbraw/zinc/16/54/90/1074165490.db2.gz SKDPJQHPRSXARK-QHCPKHFHSA-N 2 1 411.546 3.529 20 0 HHADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000591688711 1074490211 /nfs/dbraw/zinc/49/02/11/1074490211.db2.gz NQJFGOQTZFFCQX-IBGZPJMESA-N 2 1 404.352 3.607 20 0 HHADMP C[N@@H+](CCN1CC[NH+](CCOc2ccc3ccccc3c2)CC1)Cc1ccccc1 ZINC000595571974 1075466539 /nfs/dbraw/zinc/46/65/39/1075466539.db2.gz YLAROQXVZIZYFP-UHFFFAOYSA-N 2 1 403.570 3.968 20 0 HHADMP CC(C)[NH+]1CCN(C2CC[NH+](C[C@H](O)c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000761125020 1075498601 /nfs/dbraw/zinc/49/86/01/1075498601.db2.gz WHVYHRZMXKFTBP-FQEVSTJZSA-N 2 1 400.394 3.517 20 0 HHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]c(C)cc3[nH]ccc31)CC2 ZINC001164714245 720123860 /nfs/dbraw/zinc/12/38/60/720123860.db2.gz BCGRFGYLELJLSL-HXUWFJFHSA-N 2 1 405.546 3.774 20 0 HHADMP Cc1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]c1C ZINC001164758794 720883941 /nfs/dbraw/zinc/88/39/41/720883941.db2.gz ZNUSIESFCOCMHW-NOZRDPDXSA-N 2 1 406.574 3.849 20 0 HHADMP Cc1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]c1C ZINC001164758794 720883942 /nfs/dbraw/zinc/88/39/42/720883942.db2.gz ZNUSIESFCOCMHW-NOZRDPDXSA-N 2 1 406.574 3.849 20 0 HHADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4[nH+]c(N5CCCC5)cc5ccccc54)C[C@H]3C2)cn1 ZINC001164771863 721209650 /nfs/dbraw/zinc/20/96/50/721209650.db2.gz RLEKCFBXZRZMFZ-FGZHOGPDSA-N 2 1 416.573 3.527 20 0 HHADMP Cc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001165019576 721802419 /nfs/dbraw/zinc/80/24/19/721802419.db2.gz DCZLQIYYLYKKQC-BVSLBCMMSA-N 2 1 406.578 3.517 20 0 HHADMP Cc1nc(N2CCCC2)cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]1 ZINC001165019576 721802422 /nfs/dbraw/zinc/80/24/22/721802422.db2.gz DCZLQIYYLYKKQC-BVSLBCMMSA-N 2 1 406.578 3.517 20 0 HHADMP Cc1nc(N2CCCC2)cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]1 ZINC001165019576 721802423 /nfs/dbraw/zinc/80/24/23/721802423.db2.gz DCZLQIYYLYKKQC-BVSLBCMMSA-N 2 1 406.578 3.517 20 0 HHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3C[NH+]3CCCC3)C[C@H]21 ZINC001165023251 721830447 /nfs/dbraw/zinc/83/04/47/721830447.db2.gz IKUTVQXIBBTPTN-AGILITTLSA-N 2 1 405.590 3.809 20 0 HHADMP CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976225 722157675 /nfs/dbraw/zinc/15/76/75/722157675.db2.gz VJUYDGBTENRUOI-AZUAARDMSA-N 2 1 400.954 3.588 20 0 HHADMP CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976225 722157678 /nfs/dbraw/zinc/15/76/78/722157678.db2.gz VJUYDGBTENRUOI-AZUAARDMSA-N 2 1 400.954 3.588 20 0 HHADMP CC(C)(c1ccnc(Cl)c1)[NH+]1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976225 722157683 /nfs/dbraw/zinc/15/76/83/722157683.db2.gz VJUYDGBTENRUOI-AZUAARDMSA-N 2 1 400.954 3.588 20 0 HHADMP CC(C)(c1ccnc(Cl)c1)[NH+]1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976225 722157686 /nfs/dbraw/zinc/15/76/86/722157686.db2.gz VJUYDGBTENRUOI-AZUAARDMSA-N 2 1 400.954 3.588 20 0 HHADMP Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ccc(OCC4CC[NH2+]CC4)cn2)C3)c1 ZINC001164994357 722213250 /nfs/dbraw/zinc/21/32/50/722213250.db2.gz AZKLCJBZICIUFB-RUZDIDTESA-N 2 1 424.564 3.844 20 0 HHADMP Cc1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301843771 971083126 /nfs/dbraw/zinc/08/31/26/971083126.db2.gz LCJUMASSLYQBOP-JWTNVVGKSA-N 2 1 416.516 3.892 20 0 HHADMP COc1cc(C[NH+]2CCN(c3cc[nH+]c4ccc(C)cc43)CC2)cc(OC)c1OC ZINC000302144372 971186979 /nfs/dbraw/zinc/18/69/79/971186979.db2.gz GVDOYMTUPDILKT-UHFFFAOYSA-N 2 1 407.514 3.891 20 0 HHADMP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000542140706 1013074620 /nfs/dbraw/zinc/07/46/20/1013074620.db2.gz KFEDGNDELUFTIH-IBGZPJMESA-N 2 1 423.557 3.753 20 0 HHADMP C[C@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000303145284 971526682 /nfs/dbraw/zinc/52/66/82/971526682.db2.gz DPDQBLPOZBKFNX-HXUWFJFHSA-N 2 1 411.565 3.717 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000303149348 971528664 /nfs/dbraw/zinc/52/86/64/971528664.db2.gz MKHHTMMZFCYHEK-VXKWHMMOSA-N 2 1 424.614 3.727 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000303149348 971528668 /nfs/dbraw/zinc/52/86/68/971528668.db2.gz MKHHTMMZFCYHEK-VXKWHMMOSA-N 2 1 424.614 3.727 20 0 HHADMP C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000303172057 971541419 /nfs/dbraw/zinc/54/14/19/971541419.db2.gz VUVWDWCFUVKEMS-WIYYLYMNSA-N 2 1 411.512 3.679 20 0 HHADMP CC1(C)CN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000303238564 971574321 /nfs/dbraw/zinc/57/43/21/971574321.db2.gz HUQNNSMAPFRYLK-NRFANRHFSA-N 2 1 410.562 3.723 20 0 HHADMP C[C@@H](C(=O)N1CCC[NH+](CCCc2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000303521841 971822748 /nfs/dbraw/zinc/82/27/48/971822748.db2.gz ZFABBSMIWRWESJ-QFIPXVFZSA-N 2 1 405.586 3.600 20 0 HHADMP C[C@@H](C(=O)N1CCC[NH+](CCCc2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000303521841 971822753 /nfs/dbraw/zinc/82/27/53/971822753.db2.gz ZFABBSMIWRWESJ-QFIPXVFZSA-N 2 1 405.586 3.600 20 0 HHADMP C[C@@H](C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)[NH+]1CCc2ccccc2C1 ZINC000303521841 971822758 /nfs/dbraw/zinc/82/27/58/971822758.db2.gz ZFABBSMIWRWESJ-QFIPXVFZSA-N 2 1 405.586 3.600 20 0 HHADMP C[C@@H](C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)[NH+]1CCc2ccccc2C1 ZINC000303521841 971822759 /nfs/dbraw/zinc/82/27/59/971822759.db2.gz ZFABBSMIWRWESJ-QFIPXVFZSA-N 2 1 405.586 3.600 20 0 HHADMP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303727311 971981090 /nfs/dbraw/zinc/98/10/90/971981090.db2.gz CNJCLAVZPUODGB-OSGAQNHASA-N 2 1 415.622 3.632 20 0 HHADMP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303727311 971981093 /nfs/dbraw/zinc/98/10/93/971981093.db2.gz CNJCLAVZPUODGB-OSGAQNHASA-N 2 1 415.622 3.632 20 0 HHADMP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303727311 971981099 /nfs/dbraw/zinc/98/10/99/971981099.db2.gz CNJCLAVZPUODGB-OSGAQNHASA-N 2 1 415.622 3.632 20 0 HHADMP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303727311 971981104 /nfs/dbraw/zinc/98/11/04/971981104.db2.gz CNJCLAVZPUODGB-OSGAQNHASA-N 2 1 415.622 3.632 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)[NH+](C)C)cc1 ZINC000303785784 972026576 /nfs/dbraw/zinc/02/65/76/972026576.db2.gz DMAYZHJXCJSKLP-ZJSXRUAMSA-N 2 1 408.590 3.904 20 0 HHADMP CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(C[NH+]4CCSCC4)cc3)sc2C1 ZINC000542199237 1013143007 /nfs/dbraw/zinc/14/30/07/1013143007.db2.gz KZGUHQJFEISRJC-UHFFFAOYSA-N 2 1 416.616 3.711 20 0 HHADMP CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc(C[NH+]4CCSCC4)cc3)sc2C1 ZINC000542199237 1013143018 /nfs/dbraw/zinc/14/30/18/1013143018.db2.gz KZGUHQJFEISRJC-UHFFFAOYSA-N 2 1 416.616 3.711 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000537613496 1013154026 /nfs/dbraw/zinc/15/40/26/1013154026.db2.gz QIDXVDCKNVARTI-REWPJTCUSA-N 2 1 406.574 3.633 20 0 HHADMP CCCCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1OCC ZINC000537619734 1013162262 /nfs/dbraw/zinc/16/22/62/1013162262.db2.gz JSRQZSMYOZKFQQ-IFMALSPDSA-N 2 1 403.611 3.722 20 0 HHADMP CCCCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1OCC ZINC000537619734 1013162271 /nfs/dbraw/zinc/16/22/71/1013162271.db2.gz JSRQZSMYOZKFQQ-IFMALSPDSA-N 2 1 403.611 3.722 20 0 HHADMP C[C@H]1C[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000537621850 1013167558 /nfs/dbraw/zinc/16/75/58/1013167558.db2.gz JHYRFADUOQPVCO-OFVILXPXSA-N 2 1 421.633 3.683 20 0 HHADMP C[C@H]1C[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000537621850 1013167561 /nfs/dbraw/zinc/16/75/61/1013167561.db2.gz JHYRFADUOQPVCO-OFVILXPXSA-N 2 1 421.633 3.683 20 0 HHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000537647097 1013207851 /nfs/dbraw/zinc/20/78/51/1013207851.db2.gz OHBQRMHUDQKDDF-FQEVSTJZSA-N 2 1 421.383 3.568 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cnc(-c4ccccn4)s3)CC2)C[C@H](C)O1 ZINC000537661104 1013222017 /nfs/dbraw/zinc/22/20/17/1013222017.db2.gz MAWMZTZCSZEZCE-HDICACEKSA-N 2 1 400.592 3.916 20 0 HHADMP CCCCOc1cccc(CNC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)c1 ZINC000553344488 1013287961 /nfs/dbraw/zinc/28/79/61/1013287961.db2.gz YSILPWWHTDCEFA-UHFFFAOYSA-N 2 1 401.595 3.678 20 0 HHADMP C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c1 ZINC000542360903 1013317715 /nfs/dbraw/zinc/31/77/15/1013317715.db2.gz ZYMDQYFONXUPHG-OAQYLSRUSA-N 2 1 424.589 3.750 20 0 HHADMP CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000015547571 962790435 /nfs/dbraw/zinc/79/04/35/962790435.db2.gz DXVHNPPYDOLVIS-OAQYLSRUSA-N 2 1 412.603 3.838 20 0 HHADMP CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000015547571 962790450 /nfs/dbraw/zinc/79/04/50/962790450.db2.gz DXVHNPPYDOLVIS-OAQYLSRUSA-N 2 1 412.603 3.838 20 0 HHADMP CC[N@@H+](CCC1CCN(C(=O)C2CCN(c3cc[nH+]cc3C)CC2)CC1)CC1CC1 ZINC000537813240 1013376340 /nfs/dbraw/zinc/37/63/40/1013376340.db2.gz GFGIFUKQOATGJI-UHFFFAOYSA-N 2 1 412.622 3.967 20 0 HHADMP C[C@@H](CNC(=O)[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000537845758 1013410459 /nfs/dbraw/zinc/41/04/59/1013410459.db2.gz MQNXDKRPRHHRCB-SFTDATJTSA-N 2 1 408.590 3.928 20 0 HHADMP CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537846341 1013410796 /nfs/dbraw/zinc/41/07/96/1013410796.db2.gz PNOGVBBTBSLQJI-SFHVURJKSA-N 2 1 408.546 3.850 20 0 HHADMP CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537846341 1013410803 /nfs/dbraw/zinc/41/08/03/1013410803.db2.gz PNOGVBBTBSLQJI-SFHVURJKSA-N 2 1 408.546 3.850 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000553513601 1013413591 /nfs/dbraw/zinc/41/35/91/1013413591.db2.gz LIXLYYZKAJEYNK-KNQAVFIVSA-N 2 1 407.668 3.707 20 0 HHADMP COc1cc2c(cc1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)O[C@H](C)C2 ZINC000048816716 964064920 /nfs/dbraw/zinc/06/49/20/964064920.db2.gz YEUGIYZAUICFLG-QRVBRYPASA-N 2 1 410.558 3.918 20 0 HHADMP C[C@H]([NH2+]CC(=O)Nc1ccnn1CC1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542530677 1013473269 /nfs/dbraw/zinc/47/32/69/1013473269.db2.gz GMCAQAUCGREUQI-ICSRJNTNSA-N 2 1 401.599 3.645 20 0 HHADMP C[C@H]([NH2+]CC(=O)Nc1ccnn1CC1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542530677 1013473274 /nfs/dbraw/zinc/47/32/74/1013473274.db2.gz GMCAQAUCGREUQI-ICSRJNTNSA-N 2 1 401.599 3.645 20 0 HHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000050137043 964275876 /nfs/dbraw/zinc/27/58/76/964275876.db2.gz HHMQNXOHICNVLE-IBGZPJMESA-N 2 1 404.624 3.620 20 0 HHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000537955493 1013535574 /nfs/dbraw/zinc/53/55/74/1013535574.db2.gz YMJQVDGWSJUWLS-GBESFXJTSA-N 2 1 409.368 3.630 20 0 HHADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057152481 965312398 /nfs/dbraw/zinc/31/23/98/965312398.db2.gz KXFACQKYHZHCDQ-QFIPXVFZSA-N 2 1 406.574 3.598 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057176775 965328401 /nfs/dbraw/zinc/32/84/01/965328401.db2.gz KYSPCIGEXKFVKF-QFIPXVFZSA-N 2 1 409.549 3.819 20 0 HHADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889404 965572675 /nfs/dbraw/zinc/57/26/75/965572675.db2.gz JWIKYDJENNRTMG-LJQANCHMSA-N 2 1 415.578 3.763 20 0 HHADMP CC[NH+](CC)Cc1ccc(C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000030693654 965769079 /nfs/dbraw/zinc/76/90/79/965769079.db2.gz WUKVKKOSHGYWHY-RUZDIDTESA-N 2 1 422.617 3.637 20 0 HHADMP CC[NH+](CC)Cc1ccc(C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000030693654 965769087 /nfs/dbraw/zinc/76/90/87/965769087.db2.gz WUKVKKOSHGYWHY-RUZDIDTESA-N 2 1 422.617 3.637 20 0 HHADMP CC[NH+](CC)Cc1ccc(C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000030693654 965769094 /nfs/dbraw/zinc/76/90/94/965769094.db2.gz WUKVKKOSHGYWHY-RUZDIDTESA-N 2 1 422.617 3.637 20 0 HHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000060545062 966197529 /nfs/dbraw/zinc/19/75/29/966197529.db2.gz RYMIWOAWDHIVCG-UHFFFAOYSA-N 2 1 400.611 3.934 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000056813367 966477270 /nfs/dbraw/zinc/47/72/70/966477270.db2.gz DUCHSYALMHNIBL-UHFFFAOYSA-N 2 1 400.611 3.934 20 0 HHADMP CC1CC[NH+](CCCNC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000061498638 966481443 /nfs/dbraw/zinc/48/14/43/966481443.db2.gz LJIMGDZKNHUUJC-OAQYLSRUSA-N 2 1 400.611 3.840 20 0 HHADMP C[N@@H+]1CCN(C(=S)NC2CC[NH+](Cc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000063145068 966759900 /nfs/dbraw/zinc/75/99/00/966759900.db2.gz JRRGUYVVBGHSED-HSZRJFAPSA-N 2 1 408.615 3.514 20 0 HHADMP C[N@H+]1CCN(C(=S)NC2CC[NH+](Cc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000063145068 966759905 /nfs/dbraw/zinc/75/99/05/966759905.db2.gz JRRGUYVVBGHSED-HSZRJFAPSA-N 2 1 408.615 3.514 20 0 HHADMP Cc1ccccc1C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000063464673 966868221 /nfs/dbraw/zinc/86/82/21/966868221.db2.gz ZIJJMUSLYDEEKC-DEOSSOPVSA-N 2 1 420.601 3.734 20 0 HHADMP Cc1ccccc1C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000063464673 966868227 /nfs/dbraw/zinc/86/82/27/966868227.db2.gz ZIJJMUSLYDEEKC-DEOSSOPVSA-N 2 1 420.601 3.734 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)c1 ZINC000064229352 967095331 /nfs/dbraw/zinc/09/53/31/967095331.db2.gz XEBVQPCPAFLQLW-UHFFFAOYSA-N 2 1 400.542 3.551 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1)[NH+](C)C ZINC000064237580 967102170 /nfs/dbraw/zinc/10/21/70/967102170.db2.gz CUFSQQPLWZCLRE-PKTZIBPZSA-N 2 1 424.589 3.743 20 0 HHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000542847717 1013706229 /nfs/dbraw/zinc/70/62/29/1013706229.db2.gz XBZSZNDXYVWMBJ-LOSJGSFVSA-N 2 1 402.542 3.507 20 0 HHADMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)c2nc3sc(C)c(C)c3c(N)n2)CC1 ZINC000538148489 1013708288 /nfs/dbraw/zinc/70/82/88/1013708288.db2.gz ZXMRBWNRWGXKQM-HNNXBMFYSA-N 2 1 405.612 3.774 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000045029262 967336301 /nfs/dbraw/zinc/33/63/01/967336301.db2.gz INOHOMYYUNMJEG-UHFFFAOYSA-N 2 1 406.574 3.569 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1F ZINC000065461138 967477663 /nfs/dbraw/zinc/47/76/63/967477663.db2.gz XLHGEJMLSOMKFN-UHFFFAOYSA-N 2 1 413.541 3.727 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000065523950 967507682 /nfs/dbraw/zinc/50/76/82/967507682.db2.gz ALTBQYUCYRSERP-BGYRXZFFSA-N 2 1 400.611 3.838 20 0 HHADMP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000065549568 967514734 /nfs/dbraw/zinc/51/47/34/967514734.db2.gz LGBHVGWSQQLAFJ-IBGZPJMESA-N 2 1 404.574 3.554 20 0 HHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000065549568 967514737 /nfs/dbraw/zinc/51/47/37/967514737.db2.gz LGBHVGWSQQLAFJ-IBGZPJMESA-N 2 1 404.574 3.554 20 0 HHADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000065549568 967514745 /nfs/dbraw/zinc/51/47/45/967514745.db2.gz LGBHVGWSQQLAFJ-IBGZPJMESA-N 2 1 404.574 3.554 20 0 HHADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000065549568 967514753 /nfs/dbraw/zinc/51/47/53/967514753.db2.gz LGBHVGWSQQLAFJ-IBGZPJMESA-N 2 1 404.574 3.554 20 0 HHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000065549917 967514794 /nfs/dbraw/zinc/51/47/94/967514794.db2.gz ALRCLAPKWUOADU-HXUWFJFHSA-N 2 1 400.611 3.982 20 0 HHADMP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000542886106 1013733492 /nfs/dbraw/zinc/73/34/92/1013733492.db2.gz QPGLWCZGDXDVIP-JKSUJKDBSA-N 2 1 405.502 3.817 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@@H](C)[N@H+]3CCCC[C@@H]3C)c(C)c2)CC1 ZINC000045976254 967614277 /nfs/dbraw/zinc/61/42/77/967614277.db2.gz IXWMNEPHKNVPJP-VQTJNVASSA-N 2 1 401.599 3.521 20 0 HHADMP CC(C)[NH+]1CCN(c2ccc(C(=O)NCCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000065750147 968624228 /nfs/dbraw/zinc/62/42/28/968624228.db2.gz HGYRSKCFFBDPTA-SZPZYZBQSA-N 2 1 414.638 3.705 20 0 HHADMP Cc1cccc(C[NH+]2CCN(C(=O)NCC3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000072036148 968948047 /nfs/dbraw/zinc/94/80/47/968948047.db2.gz PXAMXSBHAHFQQT-UHFFFAOYSA-N 2 1 420.601 3.734 20 0 HHADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000108818364 969422653 /nfs/dbraw/zinc/42/26/53/969422653.db2.gz YITRDOJXZCHVRM-UGCAPWQASA-N 2 1 421.585 3.861 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000108818364 969422658 /nfs/dbraw/zinc/42/26/58/969422658.db2.gz YITRDOJXZCHVRM-UGCAPWQASA-N 2 1 421.585 3.861 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000108818364 969422662 /nfs/dbraw/zinc/42/26/62/969422662.db2.gz YITRDOJXZCHVRM-UGCAPWQASA-N 2 1 421.585 3.861 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000108818364 969422667 /nfs/dbraw/zinc/42/26/67/969422667.db2.gz YITRDOJXZCHVRM-UGCAPWQASA-N 2 1 421.585 3.861 20 0 HHADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000109339330 969501578 /nfs/dbraw/zinc/50/15/78/969501578.db2.gz ZMRFSPLSKTYZNZ-HSZRJFAPSA-N 2 1 409.549 3.772 20 0 HHADMP O=C([C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000109339330 969501582 /nfs/dbraw/zinc/50/15/82/969501582.db2.gz ZMRFSPLSKTYZNZ-HSZRJFAPSA-N 2 1 409.549 3.772 20 0 HHADMP O=C([C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000109339330 969501586 /nfs/dbraw/zinc/50/15/86/969501586.db2.gz ZMRFSPLSKTYZNZ-HSZRJFAPSA-N 2 1 409.549 3.772 20 0 HHADMP CC(C)(C)[N@H+]1CCCN(C(=O)[C@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000110149887 969630140 /nfs/dbraw/zinc/63/01/40/969630140.db2.gz JZGLBNSDDQTYHJ-NRFANRHFSA-N 2 1 411.512 3.774 20 0 HHADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000110149887 969630142 /nfs/dbraw/zinc/63/01/42/969630142.db2.gz JZGLBNSDDQTYHJ-NRFANRHFSA-N 2 1 411.512 3.774 20 0 HHADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000110149887 969630144 /nfs/dbraw/zinc/63/01/44/969630144.db2.gz JZGLBNSDDQTYHJ-NRFANRHFSA-N 2 1 411.512 3.774 20 0 HHADMP C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000110152498 969630593 /nfs/dbraw/zinc/63/05/93/969630593.db2.gz LXSOISMOVMSBSX-WIYYLYMNSA-N 2 1 411.512 3.678 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NCc3ccccc3C[N@@H+](C)C(C)C)CC2)cs1 ZINC000110441999 969669051 /nfs/dbraw/zinc/66/90/51/969669051.db2.gz FVPRKBUAXMANCQ-UHFFFAOYSA-N 2 1 414.619 3.820 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NCc3ccccc3C[N@H+](C)C(C)C)CC2)cs1 ZINC000110441999 969669057 /nfs/dbraw/zinc/66/90/57/969669057.db2.gz FVPRKBUAXMANCQ-UHFFFAOYSA-N 2 1 414.619 3.820 20 0 HHADMP COc1cc2[nH+]c(NCc3ccccc3C[NH+]3CCCCC3)nc(N)c2cc1OC ZINC000110671607 969704167 /nfs/dbraw/zinc/70/41/67/969704167.db2.gz HLBABZUSMGEUOB-UHFFFAOYSA-N 2 1 407.518 3.827 20 0 HHADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000139847144 970049069 /nfs/dbraw/zinc/04/90/69/970049069.db2.gz QCSHRQQXWAUICT-NRFANRHFSA-N 2 1 412.603 3.530 20 0 HHADMP c1c(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000216162563 970065035 /nfs/dbraw/zinc/06/50/35/970065035.db2.gz AOBAPVWMXUDKJC-UHFFFAOYSA-N 2 1 415.585 3.753 20 0 HHADMP CC[NH+](CC)[C@@H](C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccccc1 ZINC000229641662 970132052 /nfs/dbraw/zinc/13/20/52/970132052.db2.gz NVAWGIOQEHBVPR-GBXCKJPGSA-N 2 1 409.574 3.607 20 0 HHADMP CC[NH+](CC)[C@@H](C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccccc1 ZINC000229641662 970132056 /nfs/dbraw/zinc/13/20/56/970132056.db2.gz NVAWGIOQEHBVPR-GBXCKJPGSA-N 2 1 409.574 3.607 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(OC)cc2OC)CC1 ZINC000236982040 970200010 /nfs/dbraw/zinc/20/00/10/970200010.db2.gz FXLMGJXYLCSIKC-QGZVFWFLSA-N 2 1 401.526 3.836 20 0 HHADMP COCC[NH+]1CCC(NC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000143557115 970201157 /nfs/dbraw/zinc/20/11/57/970201157.db2.gz CUNJELAOZHKEKQ-UHFFFAOYSA-N 2 1 402.583 3.683 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1)[NH+](C)C ZINC000554481552 1013964637 /nfs/dbraw/zinc/96/46/37/1013964637.db2.gz VFALDNDIUBNVRA-JCTONOIOSA-N 2 1 424.589 3.680 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1)[NH+](C)C ZINC000554481552 1013964640 /nfs/dbraw/zinc/96/46/40/1013964640.db2.gz VFALDNDIUBNVRA-JCTONOIOSA-N 2 1 424.589 3.680 20 0 HHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000237164030 970233490 /nfs/dbraw/zinc/23/34/90/970233490.db2.gz NWTPHENDSAPVGE-UHFFFAOYSA-N 2 1 404.002 3.506 20 0 HHADMP COc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)ccc1OCC(F)(F)F ZINC000237214966 970243304 /nfs/dbraw/zinc/24/33/04/970243304.db2.gz PJGGCWMRCRWHBF-UHFFFAOYSA-N 2 1 424.463 3.758 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000145597470 970266187 /nfs/dbraw/zinc/26/61/87/970266187.db2.gz AJQAFFSDARNRBK-HXUWFJFHSA-N 2 1 402.652 3.770 20 0 HHADMP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000145670387 970268645 /nfs/dbraw/zinc/26/86/45/970268645.db2.gz MKTNGMFTZFKRNJ-QFIPXVFZSA-N 2 1 411.615 3.989 20 0 HHADMP COc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1OCc1ccccc1 ZINC000237356170 970268989 /nfs/dbraw/zinc/26/89/89/970268989.db2.gz UPRGCURXRRWNCG-QFIPXVFZSA-N 2 1 410.558 3.865 20 0 HHADMP CSc1nnc(CCC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)n1CC(C)C ZINC000237433293 970285221 /nfs/dbraw/zinc/28/52/21/970285221.db2.gz SACSCSYYLTYFFO-UHFFFAOYSA-N 2 1 401.624 3.843 20 0 HHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237609110 970322094 /nfs/dbraw/zinc/32/20/94/970322094.db2.gz DHSBGPNLOTWWOP-IYBDPMFKSA-N 2 1 406.521 3.746 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000237672109 970336305 /nfs/dbraw/zinc/33/63/05/970336305.db2.gz OXILYMUJEOKEGE-LJQANCHMSA-N 2 1 412.578 3.993 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccsc1 ZINC000148995947 970378177 /nfs/dbraw/zinc/37/81/77/970378177.db2.gz XFLGSDMQDAZRGA-LPHOPBHVSA-N 2 1 406.621 3.624 20 0 HHADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1 ZINC000237932284 970397801 /nfs/dbraw/zinc/39/78/01/970397801.db2.gz ITWQWKAUFJJGNZ-INIZCTEOSA-N 2 1 409.452 3.642 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1 ZINC000237932284 970397806 /nfs/dbraw/zinc/39/78/06/970397806.db2.gz ITWQWKAUFJJGNZ-INIZCTEOSA-N 2 1 409.452 3.642 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(OC4CCCC4)c3)c2)C1 ZINC000237940549 970399895 /nfs/dbraw/zinc/39/98/95/970399895.db2.gz AATFGKVTAJDFAG-QHCPKHFHSA-N 2 1 421.585 3.995 20 0 HHADMP C[N@@H+](Cc1ccccc1NC(=O)NCCCC[NH+]1CCC[C@H]1CO)C1CCCCC1 ZINC000250235974 970533283 /nfs/dbraw/zinc/53/32/83/970533283.db2.gz OJIQNZHSHLBJLD-QFIPXVFZSA-N 2 1 416.610 3.810 20 0 HHADMP C[NH+](Cc1ccccc1NC(=O)NCCCC[N@@H+]1CCC[C@H]1CO)C1CCCCC1 ZINC000250235974 970533292 /nfs/dbraw/zinc/53/32/92/970533292.db2.gz OJIQNZHSHLBJLD-QFIPXVFZSA-N 2 1 416.610 3.810 20 0 HHADMP C[NH+](Cc1ccccc1NC(=O)NCCCC[N@H+]1CCC[C@H]1CO)C1CCCCC1 ZINC000250235974 970533304 /nfs/dbraw/zinc/53/33/04/970533304.db2.gz OJIQNZHSHLBJLD-QFIPXVFZSA-N 2 1 416.610 3.810 20 0 HHADMP COc1cccc([C@H](CNC(=O)NCCC[N@@H+](C)C2CCCCC2)[NH+]2CCCC2)c1 ZINC000195601445 970544171 /nfs/dbraw/zinc/54/41/71/970544171.db2.gz IFEIIPRNUXMIQW-QHCPKHFHSA-N 2 1 416.610 3.786 20 0 HHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000251598078 970547587 /nfs/dbraw/zinc/54/75/87/970547587.db2.gz BOLHKJKQBJYIJJ-SQJMNOBHSA-N 2 1 421.585 3.578 20 0 HHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000251598078 970547591 /nfs/dbraw/zinc/54/75/91/970547591.db2.gz BOLHKJKQBJYIJJ-SQJMNOBHSA-N 2 1 421.585 3.578 20 0 HHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000251598078 970547598 /nfs/dbraw/zinc/54/75/98/970547598.db2.gz BOLHKJKQBJYIJJ-SQJMNOBHSA-N 2 1 421.585 3.578 20 0 HHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000251598078 970547608 /nfs/dbraw/zinc/54/76/08/970547608.db2.gz BOLHKJKQBJYIJJ-SQJMNOBHSA-N 2 1 421.585 3.578 20 0 HHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000251598078 970547615 /nfs/dbraw/zinc/54/76/15/970547615.db2.gz BOLHKJKQBJYIJJ-SQJMNOBHSA-N 2 1 421.585 3.578 20 0 HHADMP C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000554745624 1014036710 /nfs/dbraw/zinc/03/67/10/1014036710.db2.gz MTKWZVHWKGMNPP-CQSZACIVSA-N 2 1 414.381 3.920 20 0 HHADMP C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000554745624 1014036715 /nfs/dbraw/zinc/03/67/15/1014036715.db2.gz MTKWZVHWKGMNPP-CQSZACIVSA-N 2 1 414.381 3.920 20 0 HHADMP Brc1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc2c1OCO2 ZINC000311154677 972624854 /nfs/dbraw/zinc/62/48/54/972624854.db2.gz OAURNBFZSPCUMN-INIZCTEOSA-N 2 1 403.320 3.790 20 0 HHADMP Brc1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc2c1OCO2 ZINC000311154681 972625674 /nfs/dbraw/zinc/62/56/74/972625674.db2.gz OAURNBFZSPCUMN-MRXNPFEDSA-N 2 1 403.320 3.790 20 0 HHADMP CO[C@H](C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000554819838 1014058617 /nfs/dbraw/zinc/05/86/17/1014058617.db2.gz FKIMOKPDDATWFU-HSZRJFAPSA-N 2 1 401.982 3.777 20 0 HHADMP CO[C@H](C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000554819838 1014058623 /nfs/dbraw/zinc/05/86/23/1014058623.db2.gz FKIMOKPDDATWFU-HSZRJFAPSA-N 2 1 401.982 3.777 20 0 HHADMP O=C(NC1CC[NH+](CCc2ccccc2)CC1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000410310293 973853013 /nfs/dbraw/zinc/85/30/13/973853013.db2.gz IOJPIYDKUDDKMH-VWLOTQADSA-N 2 1 420.601 3.657 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000410356479 973947438 /nfs/dbraw/zinc/94/74/38/973947438.db2.gz XDLCHZRQXPYBMG-FQEVSTJZSA-N 2 1 400.611 3.838 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)cc2)C1 ZINC000410377209 973974611 /nfs/dbraw/zinc/97/46/11/973974611.db2.gz YPMUVJFALHUZJC-SQJMNOBHSA-N 2 1 420.601 3.992 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)C1 ZINC000410377209 973974619 /nfs/dbraw/zinc/97/46/19/973974619.db2.gz YPMUVJFALHUZJC-SQJMNOBHSA-N 2 1 420.601 3.992 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)C1 ZINC000410377209 973974631 /nfs/dbraw/zinc/97/46/31/973974631.db2.gz YPMUVJFALHUZJC-SQJMNOBHSA-N 2 1 420.601 3.992 20 0 HHADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000410381339 973979369 /nfs/dbraw/zinc/97/93/69/973979369.db2.gz JUXIBXVLBLOROE-UHFFFAOYSA-N 2 1 408.590 3.597 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000410381339 973979375 /nfs/dbraw/zinc/97/93/75/973979375.db2.gz JUXIBXVLBLOROE-UHFFFAOYSA-N 2 1 408.590 3.597 20 0 HHADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc(N2CCCC2)n1 ZINC000426285428 974371395 /nfs/dbraw/zinc/37/13/95/974371395.db2.gz BDEYYXKGLRZYCM-QPTUXGOLSA-N 2 1 405.590 3.776 20 0 HHADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc(N2CCCC2)n1 ZINC000426285428 974371402 /nfs/dbraw/zinc/37/14/02/974371402.db2.gz BDEYYXKGLRZYCM-QPTUXGOLSA-N 2 1 405.590 3.776 20 0 HHADMP Cc1nc2ccc(C[NH+]3CCN(c4ccccc4OCC[NH+](C)C)CC3)cc2s1 ZINC000426403113 974434567 /nfs/dbraw/zinc/43/45/67/974434567.db2.gz VNNXEFWWBXVGHP-UHFFFAOYSA-N 2 1 410.587 3.867 20 0 HHADMP COCC[N@H+](Cc1scnc1C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000426557538 974527107 /nfs/dbraw/zinc/52/71/07/974527107.db2.gz FREFARXVLFMJDP-UHFFFAOYSA-N 2 1 402.608 3.631 20 0 HHADMP COCC[N@@H+](Cc1scnc1C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000426557538 974527114 /nfs/dbraw/zinc/52/71/14/974527114.db2.gz FREFARXVLFMJDP-UHFFFAOYSA-N 2 1 402.608 3.631 20 0 HHADMP Cc1cc(C)c(NC(=O)C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(C)c1 ZINC000426774530 974650887 /nfs/dbraw/zinc/65/08/87/974650887.db2.gz PCFGJWRWGKJECM-NHCUHLMSSA-N 2 1 401.595 3.762 20 0 HHADMP Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426799212 974669264 /nfs/dbraw/zinc/66/92/64/974669264.db2.gz KJOZNKDGNAZTDK-HDICACEKSA-N 2 1 407.986 3.798 20 0 HHADMP Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426799212 974669267 /nfs/dbraw/zinc/66/92/67/974669267.db2.gz KJOZNKDGNAZTDK-HDICACEKSA-N 2 1 407.986 3.798 20 0 HHADMP CCc1cccc(CC)c1NC(=O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426812704 974679217 /nfs/dbraw/zinc/67/92/17/974679217.db2.gz ROFSYHWYLXTBAQ-BGYRXZFFSA-N 2 1 415.622 3.961 20 0 HHADMP CCc1cccc(CC)c1NC(=O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426812704 974679220 /nfs/dbraw/zinc/67/92/20/974679220.db2.gz ROFSYHWYLXTBAQ-BGYRXZFFSA-N 2 1 415.622 3.961 20 0 HHADMP CCc1cccc(CC)c1NC(=O)C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000426812705 974679339 /nfs/dbraw/zinc/67/93/39/974679339.db2.gz ROFSYHWYLXTBAQ-PMACEKPBSA-N 2 1 415.622 3.961 20 0 HHADMP CCOc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426816952 974682674 /nfs/dbraw/zinc/68/26/74/974682674.db2.gz QZYHLBGYQUYCJS-HSALFYBXSA-N 2 1 417.594 3.624 20 0 HHADMP CCOc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426816952 974682681 /nfs/dbraw/zinc/68/26/81/974682681.db2.gz QZYHLBGYQUYCJS-HSALFYBXSA-N 2 1 417.594 3.624 20 0 HHADMP CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000426821093 974686578 /nfs/dbraw/zinc/68/65/78/974686578.db2.gz PTTXRQQWIGKWID-HSALFYBXSA-N 2 1 417.594 3.624 20 0 HHADMP CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000426821093 974686586 /nfs/dbraw/zinc/68/65/86/974686586.db2.gz PTTXRQQWIGKWID-HSALFYBXSA-N 2 1 417.594 3.624 20 0 HHADMP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000427003439 974815022 /nfs/dbraw/zinc/81/50/22/974815022.db2.gz WRSAVBQDHLFOCZ-UHFFFAOYSA-N 2 1 424.520 3.743 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)cc1 ZINC000427147389 974940225 /nfs/dbraw/zinc/94/02/25/974940225.db2.gz MAYPNNHMUCOQPI-QHCPKHFHSA-N 2 1 401.595 3.636 20 0 HHADMP Cc1cnc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000427818672 975307087 /nfs/dbraw/zinc/30/70/87/975307087.db2.gz IOYRLRILTXFUSW-OAQYLSRUSA-N 2 1 401.558 3.958 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000428107916 975440454 /nfs/dbraw/zinc/44/04/54/975440454.db2.gz ORSJCFMKUGAIFK-BAGYTPMASA-N 2 1 410.562 3.769 20 0 HHADMP C[C@@H](C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000428532979 975828376 /nfs/dbraw/zinc/82/83/76/975828376.db2.gz HXFWAWOTIFXUOU-NBGIEHNGSA-N 2 1 421.585 3.535 20 0 HHADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000428719980 976008774 /nfs/dbraw/zinc/00/87/74/976008774.db2.gz QKDVGCMEHNUDRS-GGAORHGYSA-N 2 1 415.622 3.542 20 0 HHADMP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000428753114 976026411 /nfs/dbraw/zinc/02/64/11/976026411.db2.gz MDWVWKDXYQRGLK-PQNGQFLHSA-N 2 1 408.590 3.859 20 0 HHADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000428753114 976026425 /nfs/dbraw/zinc/02/64/25/976026425.db2.gz MDWVWKDXYQRGLK-PQNGQFLHSA-N 2 1 408.590 3.859 20 0 HHADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000428753114 976026438 /nfs/dbraw/zinc/02/64/38/976026438.db2.gz MDWVWKDXYQRGLK-PQNGQFLHSA-N 2 1 408.590 3.859 20 0 HHADMP Cc1cc(Br)cc(C)c1NC(=O)CCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429018252 976299390 /nfs/dbraw/zinc/29/93/90/976299390.db2.gz GXENHAKAOBMPIC-FQEVSTJZSA-N 2 1 408.384 3.812 20 0 HHADMP Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429018252 976299398 /nfs/dbraw/zinc/29/93/98/976299398.db2.gz GXENHAKAOBMPIC-FQEVSTJZSA-N 2 1 408.384 3.812 20 0 HHADMP Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429018252 976299408 /nfs/dbraw/zinc/29/94/08/976299408.db2.gz GXENHAKAOBMPIC-FQEVSTJZSA-N 2 1 408.384 3.812 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000429239573 976529661 /nfs/dbraw/zinc/52/96/61/976529661.db2.gz VDRHYTXFLICZOD-CQSZACIVSA-N 2 1 408.449 3.506 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000429239573 976529671 /nfs/dbraw/zinc/52/96/71/976529671.db2.gz VDRHYTXFLICZOD-CQSZACIVSA-N 2 1 408.449 3.506 20 0 HHADMP C[C@@H](NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000429439656 976718195 /nfs/dbraw/zinc/71/81/95/976718195.db2.gz FMYDQOSZZHNNNW-BWKNWUBXSA-N 2 1 411.590 3.569 20 0 HHADMP C[C@@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000429439656 976718216 /nfs/dbraw/zinc/71/82/16/976718216.db2.gz FMYDQOSZZHNNNW-BWKNWUBXSA-N 2 1 411.590 3.569 20 0 HHADMP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000429500788 976756273 /nfs/dbraw/zinc/75/62/73/976756273.db2.gz GOQDTHNKSADEDN-LEWJYISDSA-N 2 1 409.578 3.772 20 0 HHADMP COc1ccccc1-n1nccc1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000430020114 977275969 /nfs/dbraw/zinc/27/59/69/977275969.db2.gz IZKJXNUSLUIQQF-BGYRXZFFSA-N 2 1 420.557 3.780 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1(c2ccc(F)cc2)CC1 ZINC000430676923 977687916 /nfs/dbraw/zinc/68/79/16/977687916.db2.gz FNKQYRFUJPYUPL-UHFFFAOYSA-N 2 1 401.570 3.512 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000430687080 977695000 /nfs/dbraw/zinc/69/50/00/977695000.db2.gz OUVHSUSYFJVMMO-SFTDATJTSA-N 2 1 419.560 3.723 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C[C@H]1CCc2ccccc2C1 ZINC000430686302 977695090 /nfs/dbraw/zinc/69/50/90/977695090.db2.gz MFDMQZCQMKRKQR-QFIPXVFZSA-N 2 1 411.634 3.836 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000430685843 977695145 /nfs/dbraw/zinc/69/51/45/977695145.db2.gz SILXWSPBXLLUIC-UHFFFAOYSA-N 2 1 401.639 3.858 20 0 HHADMP CCOc1ccccc1OCC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430915343 977884104 /nfs/dbraw/zinc/88/41/04/977884104.db2.gz CHNIDBWISDZWIL-UHFFFAOYSA-N 2 1 403.611 3.592 20 0 HHADMP CCOc1ccccc1OCC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430915343 977884111 /nfs/dbraw/zinc/88/41/11/977884111.db2.gz CHNIDBWISDZWIL-UHFFFAOYSA-N 3 1 403.611 3.592 20 0 HHADMP CCOc1ccccc1OCC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430915343 977884121 /nfs/dbraw/zinc/88/41/21/977884121.db2.gz CHNIDBWISDZWIL-UHFFFAOYSA-N 3 1 403.611 3.592 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C/C=C\c1ccc(F)cc1 ZINC000431007035 977951707 /nfs/dbraw/zinc/95/17/07/977951707.db2.gz OZZKWMOKXYQPGB-ARJAWSKDSA-N 2 1 401.570 3.884 20 0 HHADMP CC[C@@H](Nc1ccccc1)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431053755 977982613 /nfs/dbraw/zinc/98/26/13/977982613.db2.gz ATCCJKAGSCZRNU-HSZRJFAPSA-N 2 1 400.611 3.532 20 0 HHADMP Cc1cc(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000431114246 978027175 /nfs/dbraw/zinc/02/71/75/978027175.db2.gz KVHOUMKEXPSGAV-WOJBJXKFSA-N 2 1 416.614 3.577 20 0 HHADMP C[C@H](Cc1cccs1)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431659505 978417616 /nfs/dbraw/zinc/41/76/16/978417616.db2.gz SRHKIKPYASSUIZ-GOSISDBHSA-N 2 1 406.640 3.517 20 0 HHADMP CCc1ccccc1CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431662877 978419495 /nfs/dbraw/zinc/41/94/95/978419495.db2.gz GEHCDYNLLOTILA-UHFFFAOYSA-N 2 1 400.611 3.587 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000431675384 978428593 /nfs/dbraw/zinc/42/85/93/978428593.db2.gz IEJDTADNPOITAK-QDSKXPNFSA-N 2 1 408.590 3.512 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCC1(c2ccccc2)CC1 ZINC000431858702 978556260 /nfs/dbraw/zinc/55/62/60/978556260.db2.gz DMZLPNZECFLDFL-UHFFFAOYSA-N 2 1 412.622 3.556 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCc1ccccc1Cl ZINC000431863333 978558498 /nfs/dbraw/zinc/55/84/98/978558498.db2.gz DUENVTJUAUQITM-UHFFFAOYSA-N 2 1 407.002 3.678 20 0 HHADMP CC[C@@H](Cc1ccccc1)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431964865 978620855 /nfs/dbraw/zinc/62/08/55/978620855.db2.gz JIQCRTFVDDLEIJ-QHCPKHFHSA-N 2 1 414.638 3.845 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCc1ccc(F)c(Cl)c1 ZINC000431991293 978634557 /nfs/dbraw/zinc/63/45/57/978634557.db2.gz JDFIFTGQZJNBFU-UHFFFAOYSA-N 2 1 424.992 3.817 20 0 HHADMP CC(C)[N@H+](Cc1ccc(NC(=O)NCC[NH+]2CC=CCC2)cc1)C[C@@H]1CCCCO1 ZINC000432368507 978780965 /nfs/dbraw/zinc/78/09/65/978780965.db2.gz QPDKSVFAMAPIMN-QHCPKHFHSA-N 2 1 414.594 3.850 20 0 HHADMP CC(C)[NH+](Cc1ccc(NC(=O)NCC[N@H+]2CC=CCC2)cc1)C[C@@H]1CCCCO1 ZINC000432368507 978780968 /nfs/dbraw/zinc/78/09/68/978780968.db2.gz QPDKSVFAMAPIMN-QHCPKHFHSA-N 2 1 414.594 3.850 20 0 HHADMP CC(C)[NH+](Cc1ccc(NC(=O)NCC[N@@H+]2CC=CCC2)cc1)C[C@@H]1CCCCO1 ZINC000432368507 978780973 /nfs/dbraw/zinc/78/09/73/978780973.db2.gz QPDKSVFAMAPIMN-QHCPKHFHSA-N 2 1 414.594 3.850 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000432423081 978805571 /nfs/dbraw/zinc/80/55/71/978805571.db2.gz WQSCWERCBGAWBI-NXWXRZEISA-N 2 1 411.512 3.847 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000432423081 978805574 /nfs/dbraw/zinc/80/55/74/978805574.db2.gz WQSCWERCBGAWBI-NXWXRZEISA-N 2 1 411.512 3.847 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000432423081 978805578 /nfs/dbraw/zinc/80/55/78/978805578.db2.gz WQSCWERCBGAWBI-NXWXRZEISA-N 2 1 411.512 3.847 20 0 HHADMP C[NH+](Cc1cc(Br)ccc1C[N@@H+](C)C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000432955225 979022890 /nfs/dbraw/zinc/02/28/90/979022890.db2.gz LWYBOKDXNNGUIX-PMACEKPBSA-N 2 1 411.384 3.671 20 0 HHADMP C[NH+](Cc1ccc(Br)cc1C[N@H+](C)C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000432955225 979022894 /nfs/dbraw/zinc/02/28/94/979022894.db2.gz LWYBOKDXNNGUIX-PMACEKPBSA-N 2 1 411.384 3.671 20 0 HHADMP C[NH+](Cc1ccc(Br)cc1C[N@@H+](C)C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000432955225 979022899 /nfs/dbraw/zinc/02/28/99/979022899.db2.gz LWYBOKDXNNGUIX-PMACEKPBSA-N 2 1 411.384 3.671 20 0 HHADMP Cc1oc2nc(C[N@@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)nc(N)c2c1C ZINC000433044276 979050763 /nfs/dbraw/zinc/05/07/63/979050763.db2.gz INGANXVBPVNUJJ-UHFFFAOYSA-N 2 1 405.546 3.910 20 0 HHADMP Cc1oc2nc(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)nc(N)c2c1C ZINC000433044276 979050768 /nfs/dbraw/zinc/05/07/68/979050768.db2.gz INGANXVBPVNUJJ-UHFFFAOYSA-N 2 1 405.546 3.910 20 0 HHADMP CC[NH+](CC)Cc1cc([C@H](C)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)ccc1OC ZINC000433097038 979071611 /nfs/dbraw/zinc/07/16/11/979071611.db2.gz KDYZAZVHDBOHHA-SFHVURJKSA-N 2 1 424.589 3.554 20 0 HHADMP CC[NH+](CC)Cc1cc([C@H](C)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)ccc1OC ZINC000433097038 979071620 /nfs/dbraw/zinc/07/16/20/979071620.db2.gz KDYZAZVHDBOHHA-SFHVURJKSA-N 2 1 424.589 3.554 20 0 HHADMP O=C1c2ccccc2C(=O)N1CCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433158362 979106495 /nfs/dbraw/zinc/10/64/95/979106495.db2.gz ANYXDFVLHURDRC-UHFFFAOYSA-N 2 1 417.553 3.661 20 0 HHADMP COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1C ZINC000433163524 979108935 /nfs/dbraw/zinc/10/89/35/979108935.db2.gz PCKNBLGHFGVJAI-UHFFFAOYSA-N 2 1 423.557 3.589 20 0 HHADMP COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1C ZINC000433163524 979108940 /nfs/dbraw/zinc/10/89/40/979108940.db2.gz PCKNBLGHFGVJAI-UHFFFAOYSA-N 2 1 423.557 3.589 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000433363177 979256962 /nfs/dbraw/zinc/25/69/62/979256962.db2.gz GYUACTPSTAASHU-ISKFKSNPSA-N 2 1 409.574 3.898 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000433577634 979398855 /nfs/dbraw/zinc/39/88/55/979398855.db2.gz DLDRAHVICFMSDX-UHFFFAOYSA-N 2 1 414.638 3.549 20 0 HHADMP Cc1cc(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435529318 980923580 /nfs/dbraw/zinc/92/35/80/980923580.db2.gz REHXLUIXCROLAO-UNMCSNQZSA-N 2 1 424.593 3.634 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(C)nn1[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000435532017 980924937 /nfs/dbraw/zinc/92/49/37/980924937.db2.gz CVYSDTRZCMBWEA-FGZHOGPDSA-N 2 1 424.593 3.587 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435532017 980924943 /nfs/dbraw/zinc/92/49/43/980924943.db2.gz CVYSDTRZCMBWEA-FGZHOGPDSA-N 2 1 424.593 3.587 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(C)nn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000435532017 980924945 /nfs/dbraw/zinc/92/49/45/980924945.db2.gz CVYSDTRZCMBWEA-FGZHOGPDSA-N 2 1 424.593 3.587 20 0 HHADMP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448209905 981623621 /nfs/dbraw/zinc/62/36/21/981623621.db2.gz VULBRYWCTIRLGF-KNQAVFIVSA-N 2 1 416.635 3.618 20 0 HHADMP C[C@@H]1CCCN(Cc2csc(NC(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)n2)C1 ZINC000448235346 981644897 /nfs/dbraw/zinc/64/48/97/981644897.db2.gz WQGQQZNRUWGTQA-HLIPFELVSA-N 2 1 417.623 3.856 20 0 HHADMP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000437056582 981727893 /nfs/dbraw/zinc/72/78/93/981727893.db2.gz LERMJWSJGMNUHS-ISKFKSNPSA-N 2 1 423.626 3.757 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000437056582 981727894 /nfs/dbraw/zinc/72/78/94/981727894.db2.gz LERMJWSJGMNUHS-ISKFKSNPSA-N 2 1 423.626 3.757 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)[C@H](C)C1 ZINC000448460847 981794582 /nfs/dbraw/zinc/79/45/82/981794582.db2.gz GLOLSTOIAWORNK-NFBKMPQASA-N 2 1 400.611 3.934 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)[C@@H](C)C1 ZINC000448525334 981853834 /nfs/dbraw/zinc/85/38/34/981853834.db2.gz PZWWEFAUSYSLGH-VJBMBRPKSA-N 2 1 414.638 3.831 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)[C@@H](C)C1 ZINC000448525334 981853843 /nfs/dbraw/zinc/85/38/43/981853843.db2.gz PZWWEFAUSYSLGH-VJBMBRPKSA-N 2 1 414.638 3.831 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)[C@@H](C)C1 ZINC000448525334 981853859 /nfs/dbraw/zinc/85/38/59/981853859.db2.gz PZWWEFAUSYSLGH-VJBMBRPKSA-N 2 1 414.638 3.831 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccnn1C1CCCC1 ZINC000460353100 982126742 /nfs/dbraw/zinc/12/67/42/982126742.db2.gz PNNRHPBLLYCMDU-HROJSSOGSA-N 2 1 409.578 3.683 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccnn1C1CCCC1 ZINC000460353100 982126747 /nfs/dbraw/zinc/12/67/47/982126747.db2.gz PNNRHPBLLYCMDU-HROJSSOGSA-N 2 1 409.578 3.683 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000460387081 982166622 /nfs/dbraw/zinc/16/66/22/982166622.db2.gz OEGBBZJDPLKOLK-WXFUMESZSA-N 2 1 412.622 3.518 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000460387081 982166626 /nfs/dbraw/zinc/16/66/26/982166626.db2.gz OEGBBZJDPLKOLK-WXFUMESZSA-N 2 1 412.622 3.518 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000460387081 982166631 /nfs/dbraw/zinc/16/66/31/982166631.db2.gz OEGBBZJDPLKOLK-WXFUMESZSA-N 2 1 412.622 3.518 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000437607699 982229420 /nfs/dbraw/zinc/22/94/20/982229420.db2.gz XKFANMLGKZLQIX-QGZVFWFLSA-N 2 1 400.489 3.894 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1F ZINC000437655172 982272906 /nfs/dbraw/zinc/27/29/06/982272906.db2.gz LINNDALVQCIDMV-HXUWFJFHSA-N 2 1 413.541 3.916 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1F ZINC000437655172 982272911 /nfs/dbraw/zinc/27/29/11/982272911.db2.gz LINNDALVQCIDMV-HXUWFJFHSA-N 2 1 413.541 3.916 20 0 HHADMP C[C@H](NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000460658018 982428657 /nfs/dbraw/zinc/42/86/57/982428657.db2.gz RTWZTFNVCQIHMV-TWDDROGUSA-N 2 1 424.633 3.803 20 0 HHADMP C[C@H](NC(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000460658018 982428663 /nfs/dbraw/zinc/42/86/63/982428663.db2.gz RTWZTFNVCQIHMV-TWDDROGUSA-N 2 1 424.633 3.803 20 0 HHADMP C[C@H](NC(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000460658018 982428666 /nfs/dbraw/zinc/42/86/66/982428666.db2.gz RTWZTFNVCQIHMV-TWDDROGUSA-N 2 1 424.633 3.803 20 0 HHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000438157933 982621766 /nfs/dbraw/zinc/62/17/66/982621766.db2.gz QCAVCCPNBVYGSC-HXUWFJFHSA-N 2 1 400.567 3.740 20 0 HHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000438157933 982621768 /nfs/dbraw/zinc/62/17/68/982621768.db2.gz QCAVCCPNBVYGSC-HXUWFJFHSA-N 2 1 400.567 3.740 20 0 HHADMP Cc1cccc(N2CCC([NH2+]C3CCC(N4C(=O)c5ccccc5C4=O)CC3)CC2)[nH+]1 ZINC000438186562 982640108 /nfs/dbraw/zinc/64/01/08/982640108.db2.gz FVBQUILFNOEFOB-UHFFFAOYSA-N 2 1 418.541 3.556 20 0 HHADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2ccccc2Oc2ccc(F)cc2Cl)C1 ZINC000461413815 983078613 /nfs/dbraw/zinc/07/86/13/983078613.db2.gz FTVCQKIXQMFWRG-KRWDZBQOSA-N 2 1 419.928 3.948 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2ccccc2Oc2ccc(F)cc2Cl)C1 ZINC000461413815 983078620 /nfs/dbraw/zinc/07/86/20/983078620.db2.gz FTVCQKIXQMFWRG-KRWDZBQOSA-N 2 1 419.928 3.948 20 0 HHADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000461442327 983107197 /nfs/dbraw/zinc/10/71/97/983107197.db2.gz GABWTDTZGSGUMC-LSQMVHIFSA-N 2 1 421.560 3.771 20 0 HHADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000461442327 983107205 /nfs/dbraw/zinc/10/72/05/983107205.db2.gz GABWTDTZGSGUMC-LSQMVHIFSA-N 2 1 421.560 3.771 20 0 HHADMP O=C([C@@H]1CCC[NH+]1Cc1ccc(F)cc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461442327 983107208 /nfs/dbraw/zinc/10/72/08/983107208.db2.gz GABWTDTZGSGUMC-LSQMVHIFSA-N 2 1 421.560 3.771 20 0 HHADMP O=C([C@@H]1CCC[NH+]1Cc1ccc(F)cc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461442327 983107214 /nfs/dbraw/zinc/10/72/14/983107214.db2.gz GABWTDTZGSGUMC-LSQMVHIFSA-N 2 1 421.560 3.771 20 0 HHADMP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461448406 983113925 /nfs/dbraw/zinc/11/39/25/983113925.db2.gz YDHSRGPVZITXQN-FTJBHMTQSA-N 2 1 417.597 3.879 20 0 HHADMP C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000461467400 983129359 /nfs/dbraw/zinc/12/93/59/983129359.db2.gz OJQNAIXTQGUBQI-JOCHJYFZSA-N 2 1 409.574 3.659 20 0 HHADMP C[NH+](C)CCN(Cc1cccs1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000439024735 983217092 /nfs/dbraw/zinc/21/70/92/983217092.db2.gz VGNGBRVLXZOIBQ-LJQANCHMSA-N 2 1 403.567 3.690 20 0 HHADMP O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000439962370 983596497 /nfs/dbraw/zinc/59/64/97/983596497.db2.gz PYDWEYTUCSKEKF-QFIPXVFZSA-N 2 1 412.578 3.847 20 0 HHADMP Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000440146085 983660034 /nfs/dbraw/zinc/66/00/34/983660034.db2.gz NKNDYVNZUFMHEQ-QFIPXVFZSA-N 2 1 412.578 3.765 20 0 HHADMP Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000440146085 983660035 /nfs/dbraw/zinc/66/00/35/983660035.db2.gz NKNDYVNZUFMHEQ-QFIPXVFZSA-N 2 1 412.578 3.765 20 0 HHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000440816645 983919279 /nfs/dbraw/zinc/91/92/79/983919279.db2.gz NNKUASXCNOGOIK-UDTLNKQYSA-N 2 1 400.611 3.981 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000441192133 984107640 /nfs/dbraw/zinc/10/76/40/984107640.db2.gz DBFPHCKDYHROIO-HUVFLSCGSA-N 2 1 407.558 3.866 20 0 HHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000441356059 984204858 /nfs/dbraw/zinc/20/48/58/984204858.db2.gz LESSKGQTDJZIBX-CVEARBPZSA-N 2 1 419.791 3.648 20 0 HHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000441356059 984204865 /nfs/dbraw/zinc/20/48/65/984204865.db2.gz LESSKGQTDJZIBX-CVEARBPZSA-N 2 1 419.791 3.648 20 0 HHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000441356059 984204873 /nfs/dbraw/zinc/20/48/73/984204873.db2.gz LESSKGQTDJZIBX-CVEARBPZSA-N 2 1 419.791 3.648 20 0 HHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000441356059 984204880 /nfs/dbraw/zinc/20/48/80/984204880.db2.gz LESSKGQTDJZIBX-CVEARBPZSA-N 2 1 419.791 3.648 20 0 HHADMP C[C@H]1C[C@H](NC(=O)N2CCC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C[N@H+]1C1CC1 ZINC000441375853 984217210 /nfs/dbraw/zinc/21/72/10/984217210.db2.gz JICWVWKHVMSXFU-LPHOPBHVSA-N 2 1 424.511 3.548 20 0 HHADMP C[C@H]1C[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)C[NH+]1C1CC1 ZINC000441375853 984217215 /nfs/dbraw/zinc/21/72/15/984217215.db2.gz JICWVWKHVMSXFU-LPHOPBHVSA-N 2 1 424.511 3.548 20 0 HHADMP C[C@H]1C[C@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)C[NH+]1C1CC1 ZINC000441375853 984217220 /nfs/dbraw/zinc/21/72/20/984217220.db2.gz JICWVWKHVMSXFU-LPHOPBHVSA-N 2 1 424.511 3.548 20 0 HHADMP CCC[NH+]1CCC([NH2+]Cc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)CC1 ZINC000461796288 984783702 /nfs/dbraw/zinc/78/37/02/984783702.db2.gz MIRFQJUWNZRIRH-UHFFFAOYSA-N 2 1 411.569 3.511 20 0 HHADMP COCC[NH+]1CCC(Nc2ccc(C[N@@H+](C[C@@H]3CCCCO3)C(C)C)cc2)CC1 ZINC000462070055 985041967 /nfs/dbraw/zinc/04/19/67/985041967.db2.gz VDIYMAWNIIJGTF-DEOSSOPVSA-N 2 1 403.611 3.989 20 0 HHADMP C[C@H](c1ccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1)[NH+]1CCOCC1 ZINC000462253909 985238722 /nfs/dbraw/zinc/23/87/22/985238722.db2.gz IRQCSLTULGFJNQ-REHUZNOOSA-N 2 1 422.573 3.722 20 0 HHADMP C[C@H](c1ccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1)[NH+]1CCOCC1 ZINC000462253909 985238734 /nfs/dbraw/zinc/23/87/34/985238734.db2.gz IRQCSLTULGFJNQ-REHUZNOOSA-N 2 1 422.573 3.722 20 0 HHADMP Cc1cc(CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)cc(N2CCCC2)[nH+]1 ZINC000462263964 985252320 /nfs/dbraw/zinc/25/23/20/985252320.db2.gz RZEBIOJBONIXCA-UHFFFAOYSA-N 2 1 421.589 3.796 20 0 HHADMP C[N@H+]1CCN(CC[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1(C)C ZINC000442869693 985252794 /nfs/dbraw/zinc/25/27/94/985252794.db2.gz FAQYJGJHSSZLPT-OAQYLSRUSA-N 2 1 403.517 3.993 20 0 HHADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)CC1(C)C ZINC000442873510 985253175 /nfs/dbraw/zinc/25/31/75/985253175.db2.gz PJQUJVNAZYOSPI-GOSISDBHSA-N 2 1 402.583 3.942 20 0 HHADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CC1(C)C ZINC000442872195 985253271 /nfs/dbraw/zinc/25/32/71/985253271.db2.gz HPHWDCPKENXSPC-KRWDZBQOSA-N 2 1 400.792 3.705 20 0 HHADMP C[C@@H]1CC[C@@H](C)[NH+]1Cc1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1 ZINC000443200228 985440185 /nfs/dbraw/zinc/44/01/85/985440185.db2.gz GCCBONRAZMVCOK-HZPDHXFCSA-N 2 1 403.958 3.905 20 0 HHADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000462539207 985487085 /nfs/dbraw/zinc/48/70/85/985487085.db2.gz QZWPVLHGDQENGW-MRXNPFEDSA-N 2 1 402.505 3.507 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(C(F)(F)F)cc3C)CC2)CC1 ZINC000443421985 985578823 /nfs/dbraw/zinc/57/88/23/985578823.db2.gz ZQKNKUUJYQJZKX-UHFFFAOYSA-N 2 1 411.512 3.780 20 0 HHADMP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)nc(-c2ccc(Cl)cc2)n1 ZINC000443577112 985753115 /nfs/dbraw/zinc/75/31/15/985753115.db2.gz CKMSOTPFLWXHDK-PCCBWWKXSA-N 2 1 400.954 3.789 20 0 HHADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)nc(-c2ccc(Cl)cc2)n1 ZINC000443577112 985753127 /nfs/dbraw/zinc/75/31/27/985753127.db2.gz CKMSOTPFLWXHDK-PCCBWWKXSA-N 2 1 400.954 3.789 20 0 HHADMP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)Nc1ccnn1Cc1cccs1 ZINC000443589199 985764520 /nfs/dbraw/zinc/76/45/20/985764520.db2.gz KCIIVFQXQYCISJ-UHFFFAOYSA-N 2 1 415.607 3.519 20 0 HHADMP COc1ccc(-c2noc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)n2)c(OC)c1 ZINC000443603119 985780185 /nfs/dbraw/zinc/78/01/85/985780185.db2.gz QOWQIGPCKYNQHO-UHFFFAOYSA-N 2 1 414.550 3.842 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N(C)[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000443636948 985820668 /nfs/dbraw/zinc/82/06/68/985820668.db2.gz HFQDYIPDCXTMNB-SRYPRDQNSA-N 2 1 400.611 3.646 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000443636948 985820689 /nfs/dbraw/zinc/82/06/89/985820689.db2.gz HFQDYIPDCXTMNB-SRYPRDQNSA-N 2 1 400.611 3.646 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000443636948 985820716 /nfs/dbraw/zinc/82/07/16/985820716.db2.gz HFQDYIPDCXTMNB-SRYPRDQNSA-N 2 1 400.611 3.646 20 0 HHADMP CC(C)[NH+]1CCC(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000468254014 985953566 /nfs/dbraw/zinc/95/35/66/985953566.db2.gz ZKRCAAUTIUSSOF-UHFFFAOYSA-N 2 1 411.512 3.860 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000463015027 985970142 /nfs/dbraw/zinc/97/01/42/985970142.db2.gz WVCALXBYRHGVMC-NQHRYMMQSA-N 2 1 420.601 3.670 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000463015027 985970149 /nfs/dbraw/zinc/97/01/49/985970149.db2.gz WVCALXBYRHGVMC-NQHRYMMQSA-N 2 1 420.601 3.670 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000463015027 985970160 /nfs/dbraw/zinc/97/01/60/985970160.db2.gz WVCALXBYRHGVMC-NQHRYMMQSA-N 2 1 420.601 3.670 20 0 HHADMP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C1(C)C ZINC000463015383 985970473 /nfs/dbraw/zinc/97/04/73/985970473.db2.gz WZIACWMBCMAXBR-XZOQPEGZSA-N 2 1 404.595 3.858 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000463016653 985973134 /nfs/dbraw/zinc/97/31/34/985973134.db2.gz UWVCITSAZHZCTC-HYBUGGRVSA-N 2 1 406.574 3.602 20 0 HHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)CC1 ZINC000463026711 985986131 /nfs/dbraw/zinc/98/61/31/985986131.db2.gz BSGPBBOPBDCGSG-SANMLTNESA-N 2 1 407.602 3.646 20 0 HHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)Cn3cccn3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463073855 986030115 /nfs/dbraw/zinc/03/01/15/986030115.db2.gz ZKHRZQBZJMLVNP-REWPJTCUSA-N 2 1 417.557 3.665 20 0 HHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)Cn3cccn3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463073855 986030132 /nfs/dbraw/zinc/03/01/32/986030132.db2.gz ZKHRZQBZJMLVNP-REWPJTCUSA-N 2 1 417.557 3.665 20 0 HHADMP C[C@H]1C[C@H]([NH2+]CCCN2CCN(c3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463140442 986109225 /nfs/dbraw/zinc/10/92/25/986109225.db2.gz VVPYSQMRGSFDRZ-UKILVPOCSA-N 2 1 406.618 3.841 20 0 HHADMP C[C@H]1C[C@H]([NH2+]CCCN2CCN(c3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463140442 986109235 /nfs/dbraw/zinc/10/92/35/986109235.db2.gz VVPYSQMRGSFDRZ-UKILVPOCSA-N 2 1 406.618 3.841 20 0 HHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCCNc3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000463141360 986110217 /nfs/dbraw/zinc/11/02/17/986110217.db2.gz JVRGQYAIYQAOHU-UHFFFAOYSA-N 2 1 424.486 4.338 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCc1ccc(C(F)F)cc1 ZINC000463219034 986190998 /nfs/dbraw/zinc/19/09/98/986190998.db2.gz AXPRYGWHBYDREW-UHFFFAOYSA-N 2 1 422.564 3.962 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)c1 ZINC000468509749 986210808 /nfs/dbraw/zinc/21/08/08/986210808.db2.gz AWRWMIXXDUHAHS-BJKOFHAPSA-N 2 1 407.558 3.773 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)c1 ZINC000468511530 986212683 /nfs/dbraw/zinc/21/26/83/986212683.db2.gz NAQMBFXJSKYFFO-ZCYQVOJMSA-N 2 1 421.585 3.848 20 0 HHADMP Cc1ccc(CC[C@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)cc1 ZINC000468512546 986213570 /nfs/dbraw/zinc/21/35/70/986213570.db2.gz UWDSTKPKIRIXGA-NRFANRHFSA-N 2 1 409.574 3.767 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000463272791 986240253 /nfs/dbraw/zinc/24/02/53/986240253.db2.gz UITXOFSDLUFHFI-BWKNWUBXSA-N 2 1 420.601 3.813 20 0 HHADMP C[C@H](c1nccs1)N1CC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000468545416 986252170 /nfs/dbraw/zinc/25/21/70/986252170.db2.gz YOSZKPNKXRSNSM-LJQANCHMSA-N 2 1 413.635 3.552 20 0 HHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+]CCN2CC[NH+](Cc4ccccc4)CC2)C3)cc1 ZINC000463294818 986262460 /nfs/dbraw/zinc/26/24/60/986262460.db2.gz WFGSAQCLYRETPY-COZMKHHLSA-N 3 1 418.629 3.589 20 0 HHADMP Cc1cc(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)n([C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000444236750 986425873 /nfs/dbraw/zinc/42/58/73/986425873.db2.gz JLMRDNBASFIIHV-IIZPIQPGSA-N 2 1 409.578 3.838 20 0 HHADMP Cc1cc(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000444236750 986425876 /nfs/dbraw/zinc/42/58/76/986425876.db2.gz JLMRDNBASFIIHV-IIZPIQPGSA-N 2 1 409.578 3.838 20 0 HHADMP Cc1cc(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000444236750 986425879 /nfs/dbraw/zinc/42/58/79/986425879.db2.gz JLMRDNBASFIIHV-IIZPIQPGSA-N 2 1 409.578 3.838 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000444337198 986515729 /nfs/dbraw/zinc/51/57/29/986515729.db2.gz LLZSVBSPJIFRDF-FDDCHVKYSA-N 2 1 405.546 3.714 20 0 HHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)CCCOc2ccccc2C(N)=O)CC1 ZINC000469193529 986918171 /nfs/dbraw/zinc/91/81/71/986918171.db2.gz OXKICQSMFKXSNB-HXUWFJFHSA-N 2 1 409.574 3.896 20 0 HHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000469206687 986930643 /nfs/dbraw/zinc/93/06/43/986930643.db2.gz WQCFKQUSBKUMNH-QFIPXVFZSA-N 2 1 407.549 3.900 20 0 HHADMP Cc1cccc(N2CC[NH+](CCC(=O)NCc3cccc(C[N@H+](C)C(C)C)c3)CC2)c1 ZINC000469254066 986973505 /nfs/dbraw/zinc/97/35/05/986973505.db2.gz XXNMFVRUUPXWKO-UHFFFAOYSA-N 2 1 422.617 3.664 20 0 HHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000469433555 987120245 /nfs/dbraw/zinc/12/02/45/987120245.db2.gz FYJTXBKSPLQFPF-DEOSSOPVSA-N 2 1 423.605 3.502 20 0 HHADMP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@H](C[N@H+]4CCCC[C@H]4C)C3)cc2)CC1 ZINC000469522178 987198011 /nfs/dbraw/zinc/19/80/11/987198011.db2.gz OSSKTXKJDNBDDQ-FGZHOGPDSA-N 2 1 412.622 3.555 20 0 HHADMP CCOc1ccc(CN(C)C(=O)C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000469759839 987413562 /nfs/dbraw/zinc/41/35/62/987413562.db2.gz DSUMRNVMPVBTPA-NHCUHLMSSA-N 2 1 423.601 3.790 20 0 HHADMP COC(=O)c1cc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc(C(=O)OC)c1 ZINC000469782027 987428654 /nfs/dbraw/zinc/42/86/54/987428654.db2.gz XSEMYKIKVVIAES-ROUUACIJSA-N 2 1 424.541 3.506 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000469791557 987435914 /nfs/dbraw/zinc/43/59/14/987435914.db2.gz PSDPOYLFPMSDFL-IIMDRIAPSA-N 2 1 410.002 3.632 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000469791557 987435920 /nfs/dbraw/zinc/43/59/20/987435920.db2.gz PSDPOYLFPMSDFL-IIMDRIAPSA-N 2 1 410.002 3.632 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)C1 ZINC000469866700 987503617 /nfs/dbraw/zinc/50/36/17/987503617.db2.gz RBCMNKCDJZHZFO-VIZSFHNOSA-N 2 1 409.578 3.908 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H](C)[C@@H](n4ccnc4)C3)cc2)C1 ZINC000469866101 987503692 /nfs/dbraw/zinc/50/36/92/987503692.db2.gz OTDCBNHABKLFFE-VIZSFHNOSA-N 2 1 409.578 3.908 20 0 HHADMP C[N@H+](Cc1cc(Br)cc(Br)c1N)CC1CC[NH+](C)CC1 ZINC000469913110 987543256 /nfs/dbraw/zinc/54/32/56/987543256.db2.gz AGLRFUDGBCXYIT-UHFFFAOYSA-N 2 1 405.178 3.567 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)[C@H]1c1cccs1 ZINC000463965946 988078696 /nfs/dbraw/zinc/07/86/96/988078696.db2.gz GDDMLHPIZHQLKB-OPYAIIAOSA-N 2 1 416.591 3.860 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(-c2nc(C)co2)ccc1C ZINC000470268608 988218102 /nfs/dbraw/zinc/21/81/02/988218102.db2.gz NKWFWWXDGHNPSM-HXUWFJFHSA-N 2 1 413.566 3.838 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C[C@H]1C ZINC000470278856 988233211 /nfs/dbraw/zinc/23/32/11/988233211.db2.gz HYSVVSMJJKJZDT-MNEFBYGVSA-N 2 1 414.516 3.822 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1 ZINC000470287009 988243644 /nfs/dbraw/zinc/24/36/44/988243644.db2.gz XUNASMJNLPZOTK-LPHOPBHVSA-N 2 1 414.516 3.585 20 0 HHADMP C[C@H]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000470520144 988518773 /nfs/dbraw/zinc/51/87/73/988518773.db2.gz IDLSHLZYJLXKAH-FQEVSTJZSA-N 2 1 400.526 3.984 20 0 HHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000470737615 988773778 /nfs/dbraw/zinc/77/37/78/988773778.db2.gz QOMQTUADAJAULA-HXUWFJFHSA-N 2 1 419.013 3.678 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000470744486 988783761 /nfs/dbraw/zinc/78/37/61/988783761.db2.gz GYMNJHQBNLPOKB-XPNTWCBSSA-N 2 1 400.611 3.660 20 0 HHADMP CN(C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470746103 988786258 /nfs/dbraw/zinc/78/62/58/988786258.db2.gz NBRJZGGTDAKGQS-RPWUZVMVSA-N 2 1 406.574 3.567 20 0 HHADMP CN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470746103 988786272 /nfs/dbraw/zinc/78/62/72/988786272.db2.gz NBRJZGGTDAKGQS-RPWUZVMVSA-N 2 1 406.574 3.567 20 0 HHADMP CN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470746103 988786277 /nfs/dbraw/zinc/78/62/77/988786277.db2.gz NBRJZGGTDAKGQS-RPWUZVMVSA-N 2 1 406.574 3.567 20 0 HHADMP Cc1cc(N2CCC[C@H]([NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)C2=O)ccc1Br ZINC000464686530 988892862 /nfs/dbraw/zinc/89/28/62/988892862.db2.gz CTOVHSFWYXLRBA-VDGAXYAQSA-N 2 1 420.395 3.669 20 0 HHADMP Cc1cc(N2CCC[C@H]([NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)C2=O)ccc1Br ZINC000464686530 988892874 /nfs/dbraw/zinc/89/28/74/988892874.db2.gz CTOVHSFWYXLRBA-VDGAXYAQSA-N 2 1 420.395 3.669 20 0 HHADMP Cc1cc(N2CCC[C@H]([N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)C2=O)ccc1Br ZINC000464686530 988892886 /nfs/dbraw/zinc/89/28/86/988892886.db2.gz CTOVHSFWYXLRBA-VDGAXYAQSA-N 2 1 420.395 3.669 20 0 HHADMP Cc1cc(N2CCC[C@H]([N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)C2=O)ccc1Br ZINC000464686530 988892898 /nfs/dbraw/zinc/89/28/98/988892898.db2.gz CTOVHSFWYXLRBA-VDGAXYAQSA-N 2 1 420.395 3.669 20 0 HHADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000470965229 989029426 /nfs/dbraw/zinc/02/94/26/989029426.db2.gz DQRXWXRARKIVAG-NRFANRHFSA-N 2 1 419.569 3.910 20 0 HHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000470965229 989029437 /nfs/dbraw/zinc/02/94/37/989029437.db2.gz DQRXWXRARKIVAG-NRFANRHFSA-N 2 1 419.569 3.910 20 0 HHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000470965229 989029454 /nfs/dbraw/zinc/02/94/54/989029454.db2.gz DQRXWXRARKIVAG-NRFANRHFSA-N 2 1 419.569 3.910 20 0 HHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000470965229 989029474 /nfs/dbraw/zinc/02/94/74/989029474.db2.gz DQRXWXRARKIVAG-NRFANRHFSA-N 2 1 419.569 3.910 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000464830837 989071035 /nfs/dbraw/zinc/07/10/35/989071035.db2.gz MPJWFGCNURPBCP-VQTJNVASSA-N 2 1 406.640 3.798 20 0 HHADMP COC(=O)c1ccc(OCC[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c(Cl)c1 ZINC000464859587 989114206 /nfs/dbraw/zinc/11/42/06/989114206.db2.gz YLEQELYBXSGCSP-LJQANCHMSA-N 2 1 416.949 3.959 20 0 HHADMP COC(=O)c1ccc(OCC[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c(Cl)c1 ZINC000464859587 989114209 /nfs/dbraw/zinc/11/42/09/989114209.db2.gz YLEQELYBXSGCSP-LJQANCHMSA-N 2 1 416.949 3.959 20 0 HHADMP COC(=O)c1ccc(OCC[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000464859587 989114213 /nfs/dbraw/zinc/11/42/13/989114213.db2.gz YLEQELYBXSGCSP-LJQANCHMSA-N 2 1 416.949 3.959 20 0 HHADMP COC(=O)c1ccc(OCC[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000464859587 989114216 /nfs/dbraw/zinc/11/42/16/989114216.db2.gz YLEQELYBXSGCSP-LJQANCHMSA-N 2 1 416.949 3.959 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000464953763 989250134 /nfs/dbraw/zinc/25/01/34/989250134.db2.gz RUVSFWPOPZYDDZ-QHCPKHFHSA-N 2 1 400.611 3.696 20 0 HHADMP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471380222 989558037 /nfs/dbraw/zinc/55/80/37/989558037.db2.gz OWBJLTBDQUJOIT-PLQXJYEYSA-N 2 1 403.570 3.877 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000471387164 989565859 /nfs/dbraw/zinc/56/58/59/989565859.db2.gz BFKQHKUPYCAGKQ-UHFFFAOYSA-N 2 1 417.553 3.976 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000471387164 989565868 /nfs/dbraw/zinc/56/58/68/989565868.db2.gz BFKQHKUPYCAGKQ-UHFFFAOYSA-N 2 1 417.553 3.976 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000471387164 989565873 /nfs/dbraw/zinc/56/58/73/989565873.db2.gz BFKQHKUPYCAGKQ-UHFFFAOYSA-N 2 1 417.553 3.976 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000471387164 989565879 /nfs/dbraw/zinc/56/58/79/989565879.db2.gz BFKQHKUPYCAGKQ-UHFFFAOYSA-N 2 1 417.553 3.976 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1)C(C)C ZINC000465359559 989709507 /nfs/dbraw/zinc/70/95/07/989709507.db2.gz SXYGRTQKUTXHAE-UHFFFAOYSA-N 2 1 401.595 3.634 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000465407412 989754310 /nfs/dbraw/zinc/75/43/10/989754310.db2.gz MFURUTAPPFTVNN-GOTSBHOMSA-N 2 1 424.589 3.970 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)C1 ZINC000465416864 989763359 /nfs/dbraw/zinc/76/33/59/989763359.db2.gz YFVAFOFYKUUETD-NFBKMPQASA-N 2 1 416.610 3.596 20 0 HHADMP CC[C@@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471564030 989764774 /nfs/dbraw/zinc/76/47/74/989764774.db2.gz RANRYZUIPFSCRX-PKTZIBPZSA-N 2 1 410.562 3.549 20 0 HHADMP CC[C@@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471564030 989764790 /nfs/dbraw/zinc/76/47/90/989764790.db2.gz RANRYZUIPFSCRX-PKTZIBPZSA-N 2 1 410.562 3.549 20 0 HHADMP C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000465431590 989776549 /nfs/dbraw/zinc/77/65/49/989776549.db2.gz KINOKFUKQUYFHD-QPPBQGQZSA-N 2 1 406.574 3.567 20 0 HHADMP C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000465431590 989776556 /nfs/dbraw/zinc/77/65/56/989776556.db2.gz KINOKFUKQUYFHD-QPPBQGQZSA-N 2 1 406.574 3.567 20 0 HHADMP C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000465431590 989776562 /nfs/dbraw/zinc/77/65/62/989776562.db2.gz KINOKFUKQUYFHD-QPPBQGQZSA-N 2 1 406.574 3.567 20 0 HHADMP C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000465435222 989780784 /nfs/dbraw/zinc/78/07/84/989780784.db2.gz BNFANZBVEDGYFE-QFIPXVFZSA-N 2 1 420.601 3.957 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000471598685 989802190 /nfs/dbraw/zinc/80/21/90/989802190.db2.gz LRQSDICNEGRMQZ-VWNXMTODSA-N 2 1 406.574 3.645 20 0 HHADMP C[C@@H]1CCN(C(=O)NCCC[NH+]2CCc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000465524823 989881066 /nfs/dbraw/zinc/88/10/66/989881066.db2.gz DIFNXVMKHFLYAF-JOCHJYFZSA-N 2 1 420.601 3.741 20 0 HHADMP C[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000465524823 989881076 /nfs/dbraw/zinc/88/10/76/989881076.db2.gz DIFNXVMKHFLYAF-JOCHJYFZSA-N 2 1 420.601 3.741 20 0 HHADMP C[C@@H]1CCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000465524823 989881089 /nfs/dbraw/zinc/88/10/89/989881089.db2.gz DIFNXVMKHFLYAF-JOCHJYFZSA-N 2 1 420.601 3.741 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000465524805 989881200 /nfs/dbraw/zinc/88/12/00/989881200.db2.gz DGKPYSQZSGIPED-UKILVPOCSA-N 2 1 420.601 3.987 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccsc1 ZINC000465533148 989894474 /nfs/dbraw/zinc/89/44/74/989894474.db2.gz JFWPFHVLYBFUBG-SZVBFZGTSA-N 2 1 406.621 3.795 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)CC[C@@H]3CCCC[NH+]3C)cc2)C1 ZINC000465555709 989918977 /nfs/dbraw/zinc/91/89/77/989918977.db2.gz YTUMEWAKMNNPCI-OFNKIYASSA-N 2 1 400.611 3.934 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N(C)CC[C@@H]3CCCC[N@@H+]3C)cc2)C1 ZINC000465555709 989918984 /nfs/dbraw/zinc/91/89/84/989918984.db2.gz YTUMEWAKMNNPCI-OFNKIYASSA-N 2 1 400.611 3.934 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N(C)CC[C@@H]3CCCC[N@H+]3C)cc2)C1 ZINC000465555709 989918999 /nfs/dbraw/zinc/91/89/99/989918999.db2.gz YTUMEWAKMNNPCI-OFNKIYASSA-N 2 1 400.611 3.934 20 0 HHADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000465596067 989977223 /nfs/dbraw/zinc/97/72/23/989977223.db2.gz JSNBSNFVQAAKDF-RTWAWAEBSA-N 2 1 412.603 3.631 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000465596067 989977236 /nfs/dbraw/zinc/97/72/36/989977236.db2.gz JSNBSNFVQAAKDF-RTWAWAEBSA-N 2 1 412.603 3.631 20 0 HHADMP CC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000465596067 989977246 /nfs/dbraw/zinc/97/72/46/989977246.db2.gz JSNBSNFVQAAKDF-RTWAWAEBSA-N 2 1 412.603 3.631 20 0 HHADMP CC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000465596067 989977261 /nfs/dbraw/zinc/97/72/61/989977261.db2.gz JSNBSNFVQAAKDF-RTWAWAEBSA-N 2 1 412.603 3.631 20 0 HHADMP CC1CC[NH+]([C@H](CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c2ccccc2)CC1 ZINC000465711157 990096500 /nfs/dbraw/zinc/09/65/00/990096500.db2.gz GQLACGJOHPVKSC-DHIUTWEWSA-N 2 1 400.611 3.975 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000465720271 990105727 /nfs/dbraw/zinc/10/57/27/990105727.db2.gz OECVPQHJARCGGS-JTHBVZDNSA-N 2 1 400.611 3.833 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000465720270 990105781 /nfs/dbraw/zinc/10/57/81/990105781.db2.gz OECVPQHJARCGGS-GMAHTHKFSA-N 2 1 400.611 3.833 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000465817611 990200793 /nfs/dbraw/zinc/20/07/93/990200793.db2.gz SZIRQIMRJLMBEF-DEOSSOPVSA-N 2 1 408.590 3.802 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000465817611 990200796 /nfs/dbraw/zinc/20/07/96/990200796.db2.gz SZIRQIMRJLMBEF-DEOSSOPVSA-N 2 1 408.590 3.802 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000465817611 990200802 /nfs/dbraw/zinc/20/08/02/990200802.db2.gz SZIRQIMRJLMBEF-DEOSSOPVSA-N 2 1 408.590 3.802 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000465823517 990206976 /nfs/dbraw/zinc/20/69/76/990206976.db2.gz XWGXCSGALFCTEI-FGZHOGPDSA-N 2 1 412.578 3.826 20 0 HHADMP Cc1ccc2[nH]c(C[NH2+]Cc3cccc(C[N@H+]4CCC[C@@H](C(N)=O)C4)c3)cc2c1C ZINC000472046903 990214468 /nfs/dbraw/zinc/21/44/68/990214468.db2.gz HRDBHOKHDCWLKC-OAQYLSRUSA-N 2 1 404.558 3.772 20 0 HHADMP C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[NH+](C)Cc1ccccc1 ZINC000465876944 990992950 /nfs/dbraw/zinc/99/29/50/990992950.db2.gz MKYLQSAOZDBVGB-SYYKKAFVSA-N 2 1 414.619 3.951 20 0 HHADMP C[C@H](CNC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1)[N@H+](C)Cc1ccccc1 ZINC000465876944 990992957 /nfs/dbraw/zinc/99/29/57/990992957.db2.gz MKYLQSAOZDBVGB-SYYKKAFVSA-N 2 1 414.619 3.951 20 0 HHADMP C[C@H](CNC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1)[N@@H+](C)Cc1ccccc1 ZINC000465876944 990992962 /nfs/dbraw/zinc/99/29/62/990992962.db2.gz MKYLQSAOZDBVGB-SYYKKAFVSA-N 2 1 414.619 3.951 20 0 HHADMP CC[NH+](CC)CCOC1CCN(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000465878398 990994986 /nfs/dbraw/zinc/99/49/86/990994986.db2.gz XQGWVMBQKWHXHC-QFIPXVFZSA-N 2 1 422.658 3.564 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000466003988 991167997 /nfs/dbraw/zinc/16/79/97/991167997.db2.gz CBQGEDJGYZMSPD-QFIPXVFZSA-N 2 1 410.562 3.681 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000466003988 991168002 /nfs/dbraw/zinc/16/80/02/991168002.db2.gz CBQGEDJGYZMSPD-QFIPXVFZSA-N 2 1 410.562 3.681 20 0 HHADMP C[C@H]1CCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000466022649 991191065 /nfs/dbraw/zinc/19/10/65/991191065.db2.gz OMQVUFGGFSCNFP-IBGZPJMESA-N 2 1 412.553 3.693 20 0 HHADMP C[NH+](C)Cc1cc(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ccc1F ZINC000466024547 991193948 /nfs/dbraw/zinc/19/39/48/991193948.db2.gz DBGUQKKTMYBEAV-UWJYYQICSA-N 2 1 418.582 3.831 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000466054388 991225583 /nfs/dbraw/zinc/22/55/83/991225583.db2.gz WSTFWYIRUIKWQM-NVXWUHKLSA-N 2 1 415.409 3.939 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)[C@H]1c1cccs1 ZINC000466082779 991260123 /nfs/dbraw/zinc/26/01/23/991260123.db2.gz WNUOLMPIUAAUJY-DYXWJJEUSA-N 2 1 404.624 3.791 20 0 HHADMP C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@H]1c1cccs1 ZINC000466092815 991271695 /nfs/dbraw/zinc/27/16/95/991271695.db2.gz BDXMGADONLTMPP-FPOVZHCZSA-N 2 1 404.624 3.648 20 0 HHADMP C[NH+](C)CCOc1cccc(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000466097552 991275901 /nfs/dbraw/zinc/27/59/01/991275901.db2.gz HKDAGUGSKXQCMS-DYESRHJHSA-N 2 1 416.591 3.893 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000466137020 991318207 /nfs/dbraw/zinc/31/82/07/991318207.db2.gz GRRDXLRFEMUXGP-GBXCKJPGSA-N 2 1 406.574 3.613 20 0 HHADMP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000466199556 991396653 /nfs/dbraw/zinc/39/66/53/991396653.db2.gz FDTYNGBGHCYSLR-CYFREDJKSA-N 2 1 424.564 3.752 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000466289121 991537889 /nfs/dbraw/zinc/53/78/89/991537889.db2.gz TXKKXEFOMWEQMS-HUVFLSCGSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000466289121 991537899 /nfs/dbraw/zinc/53/78/99/991537899.db2.gz TXKKXEFOMWEQMS-HUVFLSCGSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000466289121 991537911 /nfs/dbraw/zinc/53/79/11/991537911.db2.gz TXKKXEFOMWEQMS-HUVFLSCGSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1cc2ccccc2o1 ZINC000466910382 992225821 /nfs/dbraw/zinc/22/58/21/992225821.db2.gz VAVCWOSIYUOFEE-OALUTQOASA-N 2 1 413.562 3.575 20 0 HHADMP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466910383 992226018 /nfs/dbraw/zinc/22/60/18/992226018.db2.gz VAVCWOSIYUOFEE-RBUKOAKNSA-N 2 1 413.562 3.575 20 0 HHADMP FC(F)(F)c1cccc(-c2noc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)n2)c1 ZINC000466923657 992236199 /nfs/dbraw/zinc/23/61/99/992236199.db2.gz LMOXYXXCVPGJHE-UHFFFAOYSA-N 2 1 424.467 3.832 20 0 HHADMP O=C(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)N(Cc1ccccc1)c1ccccc1 ZINC000466922765 992236316 /nfs/dbraw/zinc/23/63/16/992236316.db2.gz DFMRJGSEIZJUBC-UHFFFAOYSA-N 2 1 421.585 3.797 20 0 HHADMP O=C(C[N@H+]1CCC[C@@H](Cc2csc3ccccc23)C1)NC1CC[NH+](C2CC2)CC1 ZINC000466924959 992237659 /nfs/dbraw/zinc/23/76/59/992237659.db2.gz LZJFWFRWXQBGKO-SFHVURJKSA-N 2 1 411.615 3.899 20 0 HHADMP CN(C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000467080032 992385626 /nfs/dbraw/zinc/38/56/26/992385626.db2.gz CDBDCEPIZKKORY-XMMPIXPASA-N 2 1 408.590 3.597 20 0 HHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000467098512 992404594 /nfs/dbraw/zinc/40/45/94/992404594.db2.gz BEJLCWIAOBCZFF-REWPJTCUSA-N 2 1 400.611 3.587 20 0 HHADMP O=C(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000467214307 992538904 /nfs/dbraw/zinc/53/89/04/992538904.db2.gz PUTPQIJZWVLOKA-UHFFFAOYSA-N 2 1 400.350 3.509 20 0 HHADMP O=C1c2ccccc2CCN1CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000467361878 992680254 /nfs/dbraw/zinc/68/02/54/992680254.db2.gz KJWZQGRKTWBAQQ-PZUNEJSGSA-N 2 1 403.570 3.575 20 0 HHADMP O=C1c2ccccc2CCN1CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000467361879 992680474 /nfs/dbraw/zinc/68/04/74/992680474.db2.gz KJWZQGRKTWBAQQ-QLBJFCOMSA-N 2 1 403.570 3.575 20 0 HHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000467418982 992720686 /nfs/dbraw/zinc/72/06/86/992720686.db2.gz LSXMOOIGLLOXTL-OAQYLSRUSA-N 2 1 424.427 3.534 20 0 HHADMP COCC[NH+]1CCC([NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000467426831 992726035 /nfs/dbraw/zinc/72/60/35/992726035.db2.gz YSJMUXFEGWBZNJ-FQEVSTJZSA-N 2 1 411.384 3.617 20 0 HHADMP C[C@H](c1ccc(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000467495170 992780560 /nfs/dbraw/zinc/78/05/60/992780560.db2.gz UPOLNXIROHPYLV-YOSAUDMPSA-N 2 1 422.573 3.864 20 0 HHADMP C[C@H](c1ccc(NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000467495170 992780570 /nfs/dbraw/zinc/78/05/70/992780570.db2.gz UPOLNXIROHPYLV-YOSAUDMPSA-N 2 1 422.573 3.864 20 0 HHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000472313980 993325261 /nfs/dbraw/zinc/32/52/61/993325261.db2.gz LEOXRJMTPRVQES-ZEQRLZLVSA-N 2 1 412.622 3.662 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2c2cccn2C)CC1 ZINC000472354717 993354771 /nfs/dbraw/zinc/35/47/71/993354771.db2.gz IZACGMDIMRKLTO-XMMPIXPASA-N 2 1 408.590 3.641 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2c2cccn2C)CC1 ZINC000472354717 993354775 /nfs/dbraw/zinc/35/47/75/993354775.db2.gz IZACGMDIMRKLTO-XMMPIXPASA-N 2 1 408.590 3.641 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H](C)O1 ZINC000480717494 993586109 /nfs/dbraw/zinc/58/61/09/993586109.db2.gz SWAJLWRYADCJSZ-VIZSFHNOSA-N 2 1 413.606 3.567 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H](C)O1 ZINC000480717494 993586119 /nfs/dbraw/zinc/58/61/19/993586119.db2.gz SWAJLWRYADCJSZ-VIZSFHNOSA-N 2 1 413.606 3.567 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000480717492 993586376 /nfs/dbraw/zinc/58/63/76/993586376.db2.gz SWAJLWRYADCJSZ-MZKRTTBSSA-N 2 1 413.606 3.567 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000480717492 993586384 /nfs/dbraw/zinc/58/63/84/993586384.db2.gz SWAJLWRYADCJSZ-MZKRTTBSSA-N 2 1 413.606 3.567 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000480717492 993586393 /nfs/dbraw/zinc/58/63/93/993586393.db2.gz SWAJLWRYADCJSZ-MZKRTTBSSA-N 2 1 413.606 3.567 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000480717492 993586400 /nfs/dbraw/zinc/58/64/00/993586400.db2.gz SWAJLWRYADCJSZ-MZKRTTBSSA-N 2 1 413.606 3.567 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)[C@H](C)C1 ZINC000480721561 993589274 /nfs/dbraw/zinc/58/92/74/993589274.db2.gz NDZCNEWTAJVFTC-FGSXEWAUSA-N 2 1 402.583 3.758 20 0 HHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cnn(-c3cccc(Cl)c3)c2C)CC1 ZINC000480760020 993625057 /nfs/dbraw/zinc/62/50/57/993625057.db2.gz APRYCUUEGMCLCJ-GOSISDBHSA-N 2 1 404.002 3.902 20 0 HHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000480764510 993629113 /nfs/dbraw/zinc/62/91/13/993629113.db2.gz BEXACOLVNUGCGP-IBGZPJMESA-N 2 1 410.400 3.670 20 0 HHADMP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000480771843 993637480 /nfs/dbraw/zinc/63/74/80/993637480.db2.gz PTCDYJSDFVPBRJ-LJQANCHMSA-N 2 1 415.603 3.806 20 0 HHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000480777332 993643199 /nfs/dbraw/zinc/64/31/99/993643199.db2.gz HSDHJDYPOSEAES-NQIIRXRSSA-N 3 1 412.544 3.537 20 0 HHADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000480777332 993643205 /nfs/dbraw/zinc/64/32/05/993643205.db2.gz HSDHJDYPOSEAES-NQIIRXRSSA-N 2 1 412.544 3.537 20 0 HHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000480778539 993644890 /nfs/dbraw/zinc/64/48/90/993644890.db2.gz IDTJQJJURRDFHQ-DVECYGJZSA-N 2 1 420.601 3.946 20 0 HHADMP CC[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1cccc(OC)c1 ZINC000480895949 993754527 /nfs/dbraw/zinc/75/45/27/993754527.db2.gz AIHLMNZUWSSPRI-HSZRJFAPSA-N 2 1 411.546 3.597 20 0 HHADMP COc1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)ccc1OC(F)F ZINC000480899697 993756903 /nfs/dbraw/zinc/75/69/03/993756903.db2.gz LMNXVINQGLSOJJ-KRWDZBQOSA-N 2 1 419.516 3.895 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H]2CCSc3ccccc32)c1 ZINC000480902111 993758619 /nfs/dbraw/zinc/75/86/19/993758619.db2.gz AZLWDWFGKVGNCN-OAQYLSRUSA-N 2 1 411.571 3.674 20 0 HHADMP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]3CCOCC3)c1)CCCO2 ZINC000480916576 993771862 /nfs/dbraw/zinc/77/18/62/993771862.db2.gz ZWJOVJXHJRARHN-QHCPKHFHSA-N 2 1 423.557 3.659 20 0 HHADMP CC[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccccc1OC ZINC000480918615 993772976 /nfs/dbraw/zinc/77/29/76/993772976.db2.gz BZHKAQXOKBIYTK-QFIPXVFZSA-N 2 1 411.546 3.597 20 0 HHADMP CCS[C@H]1CCCC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000481019078 993862115 /nfs/dbraw/zinc/86/21/15/993862115.db2.gz SPXNEMARJLEZDP-FQEVSTJZSA-N 2 1 407.649 3.782 20 0 HHADMP CCS[C@@H]1CCCC[N@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000481036851 993881411 /nfs/dbraw/zinc/88/14/11/993881411.db2.gz OCLPWLMNBFNTPW-DENIHFKCSA-N 2 1 403.636 3.763 20 0 HHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1)c1ccco1 ZINC000481096713 993934533 /nfs/dbraw/zinc/93/45/33/993934533.db2.gz XKSAXJPXGCOJGT-XYJFISCASA-N 2 1 404.580 3.516 20 0 HHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1)c1ccco1 ZINC000481096713 993934540 /nfs/dbraw/zinc/93/45/40/993934540.db2.gz XKSAXJPXGCOJGT-XYJFISCASA-N 2 1 404.580 3.516 20 0 HHADMP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481173725 994003765 /nfs/dbraw/zinc/00/37/65/994003765.db2.gz JTMHWPNQCNGQDJ-IEGUWTFLSA-N 2 1 415.528 3.984 20 0 HHADMP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481173725 994003769 /nfs/dbraw/zinc/00/37/69/994003769.db2.gz JTMHWPNQCNGQDJ-IEGUWTFLSA-N 2 1 415.528 3.984 20 0 HHADMP CC(C)OCc1ccccc1CNC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481176173 994007035 /nfs/dbraw/zinc/00/70/35/994007035.db2.gz LNBJYKVALUCTNA-BWKNWUBXSA-N 2 1 423.601 3.728 20 0 HHADMP CC(C)OCc1ccccc1CNC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481176173 994007042 /nfs/dbraw/zinc/00/70/42/994007042.db2.gz LNBJYKVALUCTNA-BWKNWUBXSA-N 2 1 423.601 3.728 20 0 HHADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000473298461 994154057 /nfs/dbraw/zinc/15/40/57/994154057.db2.gz CDQWMCMVNQZJTJ-PKTZIBPZSA-N 2 1 409.549 3.676 20 0 HHADMP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000473298461 994154072 /nfs/dbraw/zinc/15/40/72/994154072.db2.gz CDQWMCMVNQZJTJ-PKTZIBPZSA-N 2 1 409.549 3.676 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000473298461 994154075 /nfs/dbraw/zinc/15/40/75/994154075.db2.gz CDQWMCMVNQZJTJ-PKTZIBPZSA-N 2 1 409.549 3.676 20 0 HHADMP O=C([C@@H]1CC[N@@H+]1Cc1ccccc1)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000473496779 994342900 /nfs/dbraw/zinc/34/29/00/994342900.db2.gz GTSQLVZJPHWASI-AZGAKELHSA-N 2 1 403.570 3.776 20 0 HHADMP O=C([C@@H]1CC[N@H+]1Cc1ccccc1)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000473496779 994342910 /nfs/dbraw/zinc/34/29/10/994342910.db2.gz GTSQLVZJPHWASI-AZGAKELHSA-N 2 1 403.570 3.776 20 0 HHADMP O=C([C@@H]1CC[NH+]1Cc1ccccc1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473496779 994342916 /nfs/dbraw/zinc/34/29/16/994342916.db2.gz GTSQLVZJPHWASI-AZGAKELHSA-N 2 1 403.570 3.776 20 0 HHADMP O=C([C@@H]1CC[NH+]1Cc1ccccc1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473496779 994342926 /nfs/dbraw/zinc/34/29/26/994342926.db2.gz GTSQLVZJPHWASI-AZGAKELHSA-N 2 1 403.570 3.776 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cccc(N2CCCC2=O)c1 ZINC000481540576 994372628 /nfs/dbraw/zinc/37/26/28/994372628.db2.gz GDLITFFVYDBPBJ-UXHICEINSA-N 2 1 407.558 3.885 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cccc(N2CCCC2=O)c1 ZINC000481540576 994372642 /nfs/dbraw/zinc/37/26/42/994372642.db2.gz GDLITFFVYDBPBJ-UXHICEINSA-N 2 1 407.558 3.885 20 0 HHADMP COc1cc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc(OC)c1OC ZINC000481546374 994379150 /nfs/dbraw/zinc/37/91/50/994379150.db2.gz PPFFDXPBAFDNQP-MSOLQXFVSA-N 2 1 414.546 3.784 20 0 HHADMP COc1cc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc(OC)c1OC ZINC000481546374 994379161 /nfs/dbraw/zinc/37/91/61/994379161.db2.gz PPFFDXPBAFDNQP-MSOLQXFVSA-N 2 1 414.546 3.784 20 0 HHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000473744650 994647851 /nfs/dbraw/zinc/64/78/51/994647851.db2.gz QKOCBOJTZOWPFQ-HSZRJFAPSA-N 2 1 400.611 3.936 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000473749972 994657400 /nfs/dbraw/zinc/65/74/00/994657400.db2.gz VYWKLNURZUILNA-GZOXUSKESA-N 2 1 424.589 3.905 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)NCCCC[N@H+]3CCCC[C@@H]3C)c2)CC1 ZINC000473839420 994775005 /nfs/dbraw/zinc/77/50/05/994775005.db2.gz IPARYJZNVWXBOZ-FQEVSTJZSA-N 2 1 401.599 3.605 20 0 HHADMP CC1(C)CC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000481906142 994777935 /nfs/dbraw/zinc/77/79/35/994777935.db2.gz CONCBHKCVALYPR-IFMALSPDSA-N 2 1 412.622 3.992 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000481907032 994779188 /nfs/dbraw/zinc/77/91/88/994779188.db2.gz GRCXKAQINAAHDC-RPBOFIJWSA-N 2 1 420.601 3.944 20 0 HHADMP CC[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481934038 994805820 /nfs/dbraw/zinc/80/58/20/994805820.db2.gz QLIXMWDZNHXCFE-INIZCTEOSA-N 2 1 402.004 3.598 20 0 HHADMP CCN(C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473962914 994943989 /nfs/dbraw/zinc/94/39/89/994943989.db2.gz HDCVTAPICLNPAA-FUPPJEDESA-N 2 1 400.611 3.974 20 0 HHADMP CCN(C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000473962914 994944001 /nfs/dbraw/zinc/94/40/01/994944001.db2.gz HDCVTAPICLNPAA-FUPPJEDESA-N 2 1 400.611 3.974 20 0 HHADMP CCN(C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000473962914 994944009 /nfs/dbraw/zinc/94/40/09/994944009.db2.gz HDCVTAPICLNPAA-FUPPJEDESA-N 2 1 400.611 3.974 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)c1)C1CCOCC1 ZINC000474055367 995044140 /nfs/dbraw/zinc/04/41/40/995044140.db2.gz SSGYJBOAJLACIK-NQHRYMMQSA-N 2 1 416.606 3.861 20 0 HHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000482123784 995071929 /nfs/dbraw/zinc/07/19/29/995071929.db2.gz IHSOZUWFEBVAQW-DLBZAZTESA-N 2 1 407.605 3.682 20 0 HHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000482123784 995071937 /nfs/dbraw/zinc/07/19/37/995071937.db2.gz IHSOZUWFEBVAQW-DLBZAZTESA-N 2 1 407.605 3.682 20 0 HHADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OCc1ccc(C(=O)OC)o1 ZINC000482211607 995195340 /nfs/dbraw/zinc/19/53/40/995195340.db2.gz KHPAQJBNPNHZQB-AEFFLSMTSA-N 2 1 416.518 3.616 20 0 HHADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCc1ccc(C(=O)OC)o1 ZINC000482211607 995195345 /nfs/dbraw/zinc/19/53/45/995195345.db2.gz KHPAQJBNPNHZQB-AEFFLSMTSA-N 2 1 416.518 3.616 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474333464 995313991 /nfs/dbraw/zinc/31/39/91/995313991.db2.gz SNSJQCDLTAHZTA-QHCPKHFHSA-N 2 1 413.512 3.710 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474333464 995313998 /nfs/dbraw/zinc/31/39/98/995313998.db2.gz SNSJQCDLTAHZTA-QHCPKHFHSA-N 2 1 413.512 3.710 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc(-c3cnn(C)c3)nc2)C1 ZINC000474488440 995445811 /nfs/dbraw/zinc/44/58/11/995445811.db2.gz YCGVPHHIENFBMC-KDURUIRLSA-N 2 1 404.562 3.645 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2cnc(-c3cnn(C)c3)nc2)C1 ZINC000474488440 995445815 /nfs/dbraw/zinc/44/58/15/995445815.db2.gz YCGVPHHIENFBMC-KDURUIRLSA-N 2 1 404.562 3.645 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000474527379 995493246 /nfs/dbraw/zinc/49/32/46/995493246.db2.gz XIMZWMIXPYFMHZ-JDBUVZGPSA-N 2 1 412.622 3.516 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000474527379 995493250 /nfs/dbraw/zinc/49/32/50/995493250.db2.gz XIMZWMIXPYFMHZ-JDBUVZGPSA-N 2 1 412.622 3.516 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000474527379 995493256 /nfs/dbraw/zinc/49/32/56/995493256.db2.gz XIMZWMIXPYFMHZ-JDBUVZGPSA-N 2 1 412.622 3.516 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000482584438 995586690 /nfs/dbraw/zinc/58/66/90/995586690.db2.gz WGDFLWAVUZXJIK-ZEQRLZLVSA-N 2 1 412.622 3.805 20 0 HHADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000482644424 995639714 /nfs/dbraw/zinc/63/97/14/995639714.db2.gz VBSJYGCCJWREHK-GMAHTHKFSA-N 2 1 407.558 3.696 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(OC(F)F)c1 ZINC000482647420 995642327 /nfs/dbraw/zinc/64/23/27/995642327.db2.gz AYUHKLAAYFGZAI-UZLBHIALSA-N 2 1 417.500 3.836 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(OC(F)F)c1 ZINC000482647415 995642380 /nfs/dbraw/zinc/64/23/80/995642380.db2.gz AYUHKLAAYFGZAI-OXJNMPFZSA-N 2 1 417.500 3.836 20 0 HHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000474717645 995655668 /nfs/dbraw/zinc/65/56/68/995655668.db2.gz FQIDMPNRYWTFPQ-OAHLLOKOSA-N 2 1 409.290 3.794 20 0 HHADMP C[C@H]1C[C@@H](N(C)C(=O)CC[NH+]2CCc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000474743982 995676780 /nfs/dbraw/zinc/67/67/80/995676780.db2.gz UIXLCSUFTLPNRX-OFVILXPXSA-N 2 1 405.586 3.946 20 0 HHADMP C[C@H]1C[C@@H](N(C)C(=O)CC[N@@H+]2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000474743982 995676783 /nfs/dbraw/zinc/67/67/83/995676783.db2.gz UIXLCSUFTLPNRX-OFVILXPXSA-N 2 1 405.586 3.946 20 0 HHADMP C[C@H]1C[C@@H](N(C)C(=O)CC[N@H+]2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000474743982 995676790 /nfs/dbraw/zinc/67/67/90/995676790.db2.gz UIXLCSUFTLPNRX-OFVILXPXSA-N 2 1 405.586 3.946 20 0 HHADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1OC ZINC000474820848 995725998 /nfs/dbraw/zinc/72/59/98/995725998.db2.gz ICYLQLYISKEPQP-CQIJRDABSA-N 2 1 412.574 3.668 20 0 HHADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1OC ZINC000474820848 995726006 /nfs/dbraw/zinc/72/60/06/995726006.db2.gz ICYLQLYISKEPQP-CQIJRDABSA-N 2 1 412.574 3.668 20 0 HHADMP CC(C)[C@@H](C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000474890555 995781732 /nfs/dbraw/zinc/78/17/32/995781732.db2.gz AZJZJVPATUBKSS-XMMPIXPASA-N 2 1 409.574 3.877 20 0 HHADMP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000482856317 995795728 /nfs/dbraw/zinc/79/57/28/995795728.db2.gz JRDSGKYMPAEGFM-LSDHHAIUSA-N 2 1 416.393 3.682 20 0 HHADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c2cccc(Br)c21 ZINC000482875077 995809344 /nfs/dbraw/zinc/80/93/44/995809344.db2.gz QJWNEZNXUKTOQZ-KSSFIOAISA-N 2 1 408.384 3.530 20 0 HHADMP Cc1c([C@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)nnn1-c1ccccc1 ZINC000482876774 995809947 /nfs/dbraw/zinc/80/99/47/995809947.db2.gz PNMJPNDYPNEYDR-IBGZPJMESA-N 2 1 405.546 3.901 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000482884422 995816327 /nfs/dbraw/zinc/81/63/27/995816327.db2.gz DXQJSKMBVCYBTD-FQEVSTJZSA-N 2 1 409.574 3.859 20 0 HHADMP COCCOc1ccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1 ZINC000482907443 995836703 /nfs/dbraw/zinc/83/67/03/995836703.db2.gz XTLAYKCDWSEUPF-GOSISDBHSA-N 2 1 401.551 3.879 20 0 HHADMP CN(C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475015812 995871904 /nfs/dbraw/zinc/87/19/04/995871904.db2.gz KLLJINOZIUAJMS-RTWAWAEBSA-N 2 1 412.603 3.801 20 0 HHADMP CC(C)(C)[NH+]1CCC(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000475119767 995934621 /nfs/dbraw/zinc/93/46/21/995934621.db2.gz QGHLLJCYVVENCR-RUZDIDTESA-N 2 1 412.622 3.947 20 0 HHADMP Cc1ccc(NCCCNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)[nH+]c1 ZINC000475256130 996028423 /nfs/dbraw/zinc/02/84/23/996028423.db2.gz DRJDDUPXRYJBJQ-PKTZIBPZSA-N 2 1 421.589 3.888 20 0 HHADMP Cc1ccc(NCCCNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)[nH+]c1 ZINC000475256130 996028430 /nfs/dbraw/zinc/02/84/30/996028430.db2.gz DRJDDUPXRYJBJQ-PKTZIBPZSA-N 2 1 421.589 3.888 20 0 HHADMP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000475288431 996047043 /nfs/dbraw/zinc/04/70/43/996047043.db2.gz YXLBZKZUXUMWMP-ICSRJNTNSA-N 2 1 411.546 3.533 20 0 HHADMP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000475288432 996047150 /nfs/dbraw/zinc/04/71/50/996047150.db2.gz YXLBZKZUXUMWMP-QUCCMNQESA-N 2 1 411.546 3.533 20 0 HHADMP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000475288433 996047337 /nfs/dbraw/zinc/04/73/37/996047337.db2.gz YXLBZKZUXUMWMP-UYAOXDASSA-N 2 1 411.546 3.533 20 0 HHADMP COCCN(C)c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000483291911 996083776 /nfs/dbraw/zinc/08/37/76/996083776.db2.gz FYPQSZJOBJCBLG-UHFFFAOYSA-N 2 1 408.590 3.652 20 0 HHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000475545709 996212424 /nfs/dbraw/zinc/21/24/24/996212424.db2.gz BRXAIZXMLUGRHU-UHFFFAOYSA-N 2 1 410.400 3.590 20 0 HHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000475545709 996212432 /nfs/dbraw/zinc/21/24/32/996212432.db2.gz BRXAIZXMLUGRHU-UHFFFAOYSA-N 2 1 410.400 3.590 20 0 HHADMP COc1ccc(COC[C@H](O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000483487171 996212776 /nfs/dbraw/zinc/21/27/76/996212776.db2.gz AQPUNABPFBMSTO-GSLIJJQTSA-N 2 1 424.585 3.559 20 0 HHADMP COc1ccc(COC[C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000483487171 996212780 /nfs/dbraw/zinc/21/27/80/996212780.db2.gz AQPUNABPFBMSTO-GSLIJJQTSA-N 2 1 424.585 3.559 20 0 HHADMP COc1ccc(COC[C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000483487171 996212787 /nfs/dbraw/zinc/21/27/87/996212787.db2.gz AQPUNABPFBMSTO-GSLIJJQTSA-N 2 1 424.585 3.559 20 0 HHADMP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)ccc2c1 ZINC000483502248 996221443 /nfs/dbraw/zinc/22/14/43/996221443.db2.gz HCXQLFMZHIFJMM-OEOAZWSVSA-N 2 1 409.574 3.611 20 0 HHADMP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)ccc2c1 ZINC000483502248 996221450 /nfs/dbraw/zinc/22/14/50/996221450.db2.gz HCXQLFMZHIFJMM-OEOAZWSVSA-N 2 1 409.574 3.611 20 0 HHADMP COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)ccc2c1 ZINC000483502248 996221453 /nfs/dbraw/zinc/22/14/53/996221453.db2.gz HCXQLFMZHIFJMM-OEOAZWSVSA-N 2 1 409.574 3.611 20 0 HHADMP COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)ccc2c1 ZINC000483502248 996221458 /nfs/dbraw/zinc/22/14/58/996221458.db2.gz HCXQLFMZHIFJMM-OEOAZWSVSA-N 2 1 409.574 3.611 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000483523475 996231780 /nfs/dbraw/zinc/23/17/80/996231780.db2.gz KMOPITFYFSLYCQ-GOSISDBHSA-N 2 1 406.546 3.637 20 0 HHADMP O=C([C@@H]1CC[N@@H+]1Cc1ccccc1)N1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483562978 996252465 /nfs/dbraw/zinc/25/24/65/996252465.db2.gz PTQKLZHQPJNOJX-GVAUOCQISA-N 2 1 403.570 3.774 20 0 HHADMP O=C([C@@H]1CC[N@H+]1Cc1ccccc1)N1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483562978 996252471 /nfs/dbraw/zinc/25/24/71/996252471.db2.gz PTQKLZHQPJNOJX-GVAUOCQISA-N 2 1 403.570 3.774 20 0 HHADMP O=C([C@@H]1CC[NH+]1Cc1ccccc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483562978 996252477 /nfs/dbraw/zinc/25/24/77/996252477.db2.gz PTQKLZHQPJNOJX-GVAUOCQISA-N 2 1 403.570 3.774 20 0 HHADMP O=C([C@@H]1CC[NH+]1Cc1ccccc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483562978 996252483 /nfs/dbraw/zinc/25/24/83/996252483.db2.gz PTQKLZHQPJNOJX-GVAUOCQISA-N 2 1 403.570 3.774 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(Br)cc2N2CCOCC2)C[C@@H]1C ZINC000475725907 996326075 /nfs/dbraw/zinc/32/60/75/996326075.db2.gz PXPAJMGPTACJNW-QFBILLFUSA-N 2 1 410.400 3.590 20 0 HHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Br)cc2N2CCOCC2)C[C@@H]1C ZINC000475725907 996326090 /nfs/dbraw/zinc/32/60/90/996326090.db2.gz PXPAJMGPTACJNW-QFBILLFUSA-N 2 1 410.400 3.590 20 0 HHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cc2N2CCOCC2)C[C@@H]1C ZINC000475725907 996326098 /nfs/dbraw/zinc/32/60/98/996326098.db2.gz PXPAJMGPTACJNW-QFBILLFUSA-N 2 1 410.400 3.590 20 0 HHADMP COc1ccccc1COC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475737281 996335668 /nfs/dbraw/zinc/33/56/68/996335668.db2.gz LBPKYTAHOAQBKC-RSXGOPAZSA-N 2 1 424.585 3.561 20 0 HHADMP COc1ccccc1COC[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475737281 996335679 /nfs/dbraw/zinc/33/56/79/996335679.db2.gz LBPKYTAHOAQBKC-RSXGOPAZSA-N 2 1 424.585 3.561 20 0 HHADMP COc1ccccc1COC[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475737281 996335686 /nfs/dbraw/zinc/33/56/86/996335686.db2.gz LBPKYTAHOAQBKC-RSXGOPAZSA-N 2 1 424.585 3.561 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1)c1cccc(OC)c1 ZINC000483705951 996339555 /nfs/dbraw/zinc/33/95/55/996339555.db2.gz DDIOXJQQPUQPKK-VCOUNFBDSA-N 2 1 404.599 3.592 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1)c1cccc(OC)c1 ZINC000483705948 996339596 /nfs/dbraw/zinc/33/95/96/996339596.db2.gz DDIOXJQQPUQPKK-CBQOVEMMSA-N 2 1 404.599 3.592 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)C[C@H]1C ZINC000483715965 996346592 /nfs/dbraw/zinc/34/65/92/996346592.db2.gz XXQKKXICNDYPBF-MZKRTTBSSA-N 2 1 400.611 3.933 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C[C@H]1C ZINC000483715965 996346599 /nfs/dbraw/zinc/34/65/99/996346599.db2.gz XXQKKXICNDYPBF-MZKRTTBSSA-N 2 1 400.611 3.933 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C[C@H]1C ZINC000483715965 996346603 /nfs/dbraw/zinc/34/66/03/996346603.db2.gz XXQKKXICNDYPBF-MZKRTTBSSA-N 2 1 400.611 3.933 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000483757538 996368854 /nfs/dbraw/zinc/36/88/54/996368854.db2.gz MWROOLLWCVQHQT-UHFFFAOYSA-N 2 1 424.699 3.892 20 0 HHADMP C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000483982763 996504972 /nfs/dbraw/zinc/50/49/72/996504972.db2.gz VQUPAVWYHORLGT-URXFXBBRSA-N 2 1 420.601 3.992 20 0 HHADMP COc1cc(F)c([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1OC ZINC000484470595 996790530 /nfs/dbraw/zinc/79/05/30/996790530.db2.gz GQYSDHLGHMZMPN-MRXNPFEDSA-N 2 1 402.510 3.650 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccccc2Br)[C@@H](C)C1 ZINC000484488277 996809325 /nfs/dbraw/zinc/80/93/25/996809325.db2.gz UVZDEAJGKWNMBO-SCTDSRPQSA-N 2 1 413.400 3.943 20 0 HHADMP CN(C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000476442457 996913946 /nfs/dbraw/zinc/91/39/46/996913946.db2.gz WMFSIOBNTGKERT-QHCPKHFHSA-N 2 1 406.574 3.793 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000476569635 997066250 /nfs/dbraw/zinc/06/62/50/997066250.db2.gz IPCCNSNHLYWSOI-VWLOTQADSA-N 2 1 420.601 3.861 20 0 HHADMP CCN(C(=O)Cn1c(C)nc2cc(F)c(F)cc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000476687356 997226624 /nfs/dbraw/zinc/22/66/24/997226624.db2.gz GRAJPSAKUBHYCL-GOSISDBHSA-N 2 1 412.484 3.746 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)NCc2ccc(OC(F)F)cc2)CC1 ZINC000476978474 997597568 /nfs/dbraw/zinc/59/75/68/997597568.db2.gz CEPRFDUXBKWROC-GOSISDBHSA-N 2 1 423.548 3.881 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000476981609 997603223 /nfs/dbraw/zinc/60/32/23/997603223.db2.gz JFIUXDYVRFJJBK-HXUWFJFHSA-N 2 1 422.635 3.836 20 0 HHADMP COc1cccc(CNC(=O)[C@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000476990988 997617242 /nfs/dbraw/zinc/61/72/42/997617242.db2.gz XZCJSCWRSQJBLJ-UXHICEINSA-N 2 1 401.595 3.676 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1F ZINC000485304312 997710431 /nfs/dbraw/zinc/71/04/31/997710431.db2.gz QVSVLNBBSBZJPC-VGSWGCGISA-N 2 1 421.520 3.782 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1F ZINC000485304312 997710443 /nfs/dbraw/zinc/71/04/43/997710443.db2.gz QVSVLNBBSBZJPC-VGSWGCGISA-N 2 1 421.520 3.782 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000485308849 997717446 /nfs/dbraw/zinc/71/74/46/997717446.db2.gz HXTDCRYEPKFUQK-DIMPSALBSA-N 2 1 410.606 3.842 20 0 HHADMP C[C@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485385770 997813825 /nfs/dbraw/zinc/81/38/25/997813825.db2.gz OJIAKAHBLNPHHV-FBBABVLZSA-N 2 1 400.592 3.561 20 0 HHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)C1 ZINC000485395652 997824013 /nfs/dbraw/zinc/82/40/13/997824013.db2.gz GLSCRBZWBAWCDA-VIZSFHNOSA-N 2 1 400.611 3.648 20 0 HHADMP CCOc1ccc(NC(=O)CC[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000485400527 997831494 /nfs/dbraw/zinc/83/14/94/997831494.db2.gz BVUOWNGPOQJSSE-BGYRXZFFSA-N 2 1 417.594 3.625 20 0 HHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000477218127 997891359 /nfs/dbraw/zinc/89/13/59/997891359.db2.gz FVTLNTWHQNUBEO-LJQANCHMSA-N 2 1 414.516 3.653 20 0 HHADMP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c2cccs2)CC1 ZINC000485465655 997910563 /nfs/dbraw/zinc/91/05/63/997910563.db2.gz OGNVOYMDTLXLJE-HSALFYBXSA-N 2 1 404.624 3.647 20 0 HHADMP O[C@H](COCc1ccccc1F)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485485572 997938153 /nfs/dbraw/zinc/93/81/53/997938153.db2.gz GAGZZCPXYMDHLY-QHCPKHFHSA-N 2 1 412.549 3.691 20 0 HHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000485492167 997944201 /nfs/dbraw/zinc/94/42/01/997944201.db2.gz LMZNNNBTBYUEKR-IBGZPJMESA-N 2 1 404.624 3.620 20 0 HHADMP CCCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000485501374 997957771 /nfs/dbraw/zinc/95/77/71/997957771.db2.gz KUSZFQCVWSVAFU-VWNXMTODSA-N 2 1 412.622 3.947 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000485616733 998064301 /nfs/dbraw/zinc/06/43/01/998064301.db2.gz SCOYMBMQABTCGM-TZRRMPRUSA-N 2 1 412.622 3.803 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000485616733 998064312 /nfs/dbraw/zinc/06/43/12/998064312.db2.gz SCOYMBMQABTCGM-TZRRMPRUSA-N 2 1 412.622 3.803 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000485616733 998064321 /nfs/dbraw/zinc/06/43/21/998064321.db2.gz SCOYMBMQABTCGM-TZRRMPRUSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000477930434 998664559 /nfs/dbraw/zinc/66/45/59/998664559.db2.gz AHWWFJIRCBMIOL-IBGZPJMESA-N 2 1 407.624 3.634 20 0 HHADMP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000477998472 998706778 /nfs/dbraw/zinc/70/67/78/998706778.db2.gz VEZIQJMSBXCQGI-OAQYLSRUSA-N 2 1 415.528 3.767 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000486311260 998706796 /nfs/dbraw/zinc/70/67/96/998706796.db2.gz MXZYMPPCRPZNTH-YADHBBJMSA-N 2 1 422.564 3.908 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000486311260 998706802 /nfs/dbraw/zinc/70/68/02/998706802.db2.gz MXZYMPPCRPZNTH-YADHBBJMSA-N 2 1 422.564 3.908 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000478008592 998710940 /nfs/dbraw/zinc/71/09/40/998710940.db2.gz DDALUVRRDWJFSE-XMMPIXPASA-N 2 1 412.622 3.993 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cccs1 ZINC000478031563 998724198 /nfs/dbraw/zinc/72/41/98/998724198.db2.gz VFOXQDKYZXCQKS-UXHICEINSA-N 2 1 400.592 3.561 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC000478045173 998732311 /nfs/dbraw/zinc/73/23/11/998732311.db2.gz WHPDCDQCHPDPSC-GMKZXUHWSA-N 2 1 410.606 3.555 20 0 HHADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CC1 ZINC000478045173 998732314 /nfs/dbraw/zinc/73/23/14/998732314.db2.gz WHPDCDQCHPDPSC-GMKZXUHWSA-N 2 1 410.606 3.555 20 0 HHADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CC1 ZINC000478045173 998732321 /nfs/dbraw/zinc/73/23/21/998732321.db2.gz WHPDCDQCHPDPSC-GMKZXUHWSA-N 2 1 410.606 3.555 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000486477930 998787503 /nfs/dbraw/zinc/78/75/03/998787503.db2.gz PQVXDSTYBYZFBV-WWNPGLIZSA-N 2 1 424.589 3.935 20 0 HHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(Br)c3cccnc23)C[C@H](C)O1 ZINC000478185957 998810564 /nfs/dbraw/zinc/81/05/64/998810564.db2.gz XGOHUGWTABUJGR-IYBDPMFKSA-N 2 1 406.368 3.976 20 0 HHADMP Cc1[nH+]ccc(N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)c1Cl ZINC000478380781 998927754 /nfs/dbraw/zinc/92/77/54/998927754.db2.gz DAYIWVTVJWOWEA-UHFFFAOYSA-N 2 1 403.939 3.910 20 0 HHADMP CC(C)(CNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)C[NH+]1CCCC1 ZINC000478400213 998938303 /nfs/dbraw/zinc/93/83/03/998938303.db2.gz AETFTYWCBDZYPZ-UHFFFAOYSA-N 2 1 407.002 3.679 20 0 HHADMP CC(C)(CNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)C[NH+]1CCCC1 ZINC000478400213 998938307 /nfs/dbraw/zinc/93/83/07/998938307.db2.gz AETFTYWCBDZYPZ-UHFFFAOYSA-N 2 1 407.002 3.679 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000487016179 999037471 /nfs/dbraw/zinc/03/74/71/999037471.db2.gz ZOJQKSCSJVUSJY-DEOSSOPVSA-N 2 1 405.586 3.967 20 0 HHADMP C[C@H](NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487213451 999098794 /nfs/dbraw/zinc/09/87/94/999098794.db2.gz VJVGXOXWSLVHNR-HARLFGEKSA-N 2 1 412.553 3.638 20 0 HHADMP C[C@@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487262251 999116666 /nfs/dbraw/zinc/11/66/66/999116666.db2.gz AYSABSOKHYZCLW-HYBUGGRVSA-N 2 1 423.626 3.876 20 0 HHADMP C[C@H]1[C@@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000478903667 999202724 /nfs/dbraw/zinc/20/27/24/999202724.db2.gz XOWYINBJOGNBGP-OFVILXPXSA-N 2 1 420.601 3.656 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000479065165 999277072 /nfs/dbraw/zinc/27/70/72/999277072.db2.gz IGGZQCZUTSFYEB-OALUTQOASA-N 2 1 415.603 3.827 20 0 HHADMP CC(C)CCc1nc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)cs1 ZINC000487811667 999298419 /nfs/dbraw/zinc/29/84/19/999298419.db2.gz WYLKZXYAANIGRK-UHFFFAOYSA-N 2 1 420.667 3.936 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NCCC2CC[NH+](C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000487946414 999324906 /nfs/dbraw/zinc/32/49/06/999324906.db2.gz BOZIPIONDIZTSS-NHCUHLMSSA-N 2 1 408.537 3.520 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NCCC2CC[NH+](C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000487946414 999324909 /nfs/dbraw/zinc/32/49/09/999324909.db2.gz BOZIPIONDIZTSS-NHCUHLMSSA-N 2 1 408.537 3.520 20 0 HHADMP CN(C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000479314320 999380092 /nfs/dbraw/zinc/38/00/92/999380092.db2.gz VMZKMUQUUSREIN-JKWVGCSGSA-N 2 1 404.986 3.744 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000479341096 999393839 /nfs/dbraw/zinc/39/38/39/999393839.db2.gz YPTBZSYJISFSOV-GOSISDBHSA-N 2 1 403.592 3.642 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000479344642 999395491 /nfs/dbraw/zinc/39/54/91/999395491.db2.gz FZDJBKBQPIDQNC-OFNKIYASSA-N 2 1 400.611 3.933 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000479357091 999401641 /nfs/dbraw/zinc/40/16/41/999401641.db2.gz HNMUQTOQTFKOFM-REWPJTCUSA-N 2 1 400.611 3.790 20 0 HHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000479437278 999416802 /nfs/dbraw/zinc/41/68/02/999416802.db2.gz LRSXEWIUQVLWJF-LADGPHEKSA-N 2 1 402.542 3.606 20 0 HHADMP CN1CCO[C@H]([C@@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccc(Cl)cc2)C1 ZINC000479452303 999424269 /nfs/dbraw/zinc/42/42/69/999424269.db2.gz ZJOCGOQLIABQFN-QDSKXPNFSA-N 2 1 413.993 3.823 20 0 HHADMP CN1CCO[C@H]([C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccc(Cl)cc2)C1 ZINC000479452303 999424271 /nfs/dbraw/zinc/42/42/71/999424271.db2.gz ZJOCGOQLIABQFN-QDSKXPNFSA-N 2 1 413.993 3.823 20 0 HHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@]3([NH+](C)C)CCSC3)c2c1C ZINC000479463575 999428712 /nfs/dbraw/zinc/42/87/12/999428712.db2.gz IZNLYRYJPVIGGE-HXUWFJFHSA-N 2 1 405.637 3.753 20 0 HHADMP C[C@H](NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000488325053 999441009 /nfs/dbraw/zinc/44/10/09/999441009.db2.gz OSCIJGCHBCDGSA-INIZCTEOSA-N 2 1 413.484 3.570 20 0 HHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC1 ZINC000488373285 999463014 /nfs/dbraw/zinc/46/30/14/999463014.db2.gz CBOXLQDJGKQGSY-UHFFFAOYSA-N 2 1 401.551 3.720 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000488506563 999511516 /nfs/dbraw/zinc/51/15/16/999511516.db2.gz ZJVHZMYRNNVDKJ-BWKNWUBXSA-N 2 1 405.586 3.925 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000488506565 999511609 /nfs/dbraw/zinc/51/16/09/999511609.db2.gz ZJVHZMYRNNVDKJ-PXDATVDWSA-N 2 1 405.586 3.925 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000488546463 999523425 /nfs/dbraw/zinc/52/34/25/999523425.db2.gz KWHSTCZKSRKKJX-YUXAGFNASA-N 2 1 420.548 3.758 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000488546463 999523428 /nfs/dbraw/zinc/52/34/28/999523428.db2.gz KWHSTCZKSRKKJX-YUXAGFNASA-N 2 1 420.548 3.758 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000488576467 999533431 /nfs/dbraw/zinc/53/34/31/999533431.db2.gz CKEAYLUBOPBCQJ-WTOYTKOKSA-N 2 1 422.564 3.862 20 0 HHADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000488576467 999533436 /nfs/dbraw/zinc/53/34/36/999533436.db2.gz CKEAYLUBOPBCQJ-WTOYTKOKSA-N 2 1 422.564 3.862 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000488576467 999533441 /nfs/dbraw/zinc/53/34/41/999533441.db2.gz CKEAYLUBOPBCQJ-WTOYTKOKSA-N 2 1 422.564 3.862 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000488576467 999533446 /nfs/dbraw/zinc/53/34/46/999533446.db2.gz CKEAYLUBOPBCQJ-WTOYTKOKSA-N 2 1 422.564 3.862 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000488576467 999533449 /nfs/dbraw/zinc/53/34/49/999533449.db2.gz CKEAYLUBOPBCQJ-WTOYTKOKSA-N 2 1 422.564 3.862 20 0 HHADMP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000488615962 999547184 /nfs/dbraw/zinc/54/71/84/999547184.db2.gz UWXLIELEJAWHTD-CZAAIQMYSA-N 2 1 408.537 3.520 20 0 HHADMP CC[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000488615962 999547188 /nfs/dbraw/zinc/54/71/88/999547188.db2.gz UWXLIELEJAWHTD-CZAAIQMYSA-N 2 1 408.537 3.520 20 0 HHADMP CC[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000488615962 999547189 /nfs/dbraw/zinc/54/71/89/999547189.db2.gz UWXLIELEJAWHTD-CZAAIQMYSA-N 2 1 408.537 3.520 20 0 HHADMP CC[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000488615962 999547193 /nfs/dbraw/zinc/54/71/93/999547193.db2.gz UWXLIELEJAWHTD-CZAAIQMYSA-N 2 1 408.537 3.520 20 0 HHADMP Cc1cccc(CC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1Cl ZINC000488751951 999597096 /nfs/dbraw/zinc/59/70/96/999597096.db2.gz XCNQLVSALPFHOP-UHFFFAOYSA-N 2 1 406.014 3.846 20 0 HHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000479913653 999646576 /nfs/dbraw/zinc/64/65/76/999646576.db2.gz OWALXMYFWOUCIN-WOJBJXKFSA-N 2 1 407.624 3.776 20 0 HHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000479913653 999646579 /nfs/dbraw/zinc/64/65/79/999646579.db2.gz OWALXMYFWOUCIN-WOJBJXKFSA-N 2 1 407.624 3.776 20 0 HHADMP CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000489222237 999725136 /nfs/dbraw/zinc/72/51/36/999725136.db2.gz GYMQSZNSGNTNPV-HXUWFJFHSA-N 2 1 406.640 3.868 20 0 HHADMP CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000489230718 999727010 /nfs/dbraw/zinc/72/70/10/999727010.db2.gz HKPDQJHEXKQUDA-HXUWFJFHSA-N 2 1 406.640 3.868 20 0 HHADMP COc1ccccc1[C@H]1CC[NH+](CCOCC[N@@H+]2CC[C@H](c3ccccc3OC)C2)C1 ZINC000489421082 999763818 /nfs/dbraw/zinc/76/38/18/999763818.db2.gz GLNVUQXGGQBAHA-VXKWHMMOSA-N 2 1 424.585 3.999 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000489441931 999768222 /nfs/dbraw/zinc/76/82/22/999768222.db2.gz UHHNSNJAHWYPCW-RCZVLFRGSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000489441931 999768224 /nfs/dbraw/zinc/76/82/24/999768224.db2.gz UHHNSNJAHWYPCW-RCZVLFRGSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000489441931 999768228 /nfs/dbraw/zinc/76/82/28/999768228.db2.gz UHHNSNJAHWYPCW-RCZVLFRGSA-N 2 1 420.601 3.815 20 0 HHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(N(C)C(C)C)nc3)CC2)cs1 ZINC000480354393 999778692 /nfs/dbraw/zinc/77/86/92/999778692.db2.gz JPUXXSBECBNADB-UHFFFAOYSA-N 2 1 401.624 3.947 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000489527551 999784543 /nfs/dbraw/zinc/78/45/43/999784543.db2.gz QIIYDAQOXPRLPG-RLLQIKCJSA-N 2 1 400.592 3.561 20 0 HHADMP Cc1ccc([C@H](OC[C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c2ccccc2)cc1 ZINC000480394513 999788345 /nfs/dbraw/zinc/78/83/45/999788345.db2.gz OMXIUQIQTCPVEF-VEYUFSJPSA-N 2 1 408.586 3.878 20 0 HHADMP Cc1ccc([C@H](OC[C@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c2ccccc2)cc1 ZINC000480394513 999788349 /nfs/dbraw/zinc/78/83/49/999788349.db2.gz OMXIUQIQTCPVEF-VEYUFSJPSA-N 2 1 408.586 3.878 20 0 HHADMP Cc1ccc([C@H](OC[C@H](O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c2ccccc2)cc1 ZINC000480394513 999788352 /nfs/dbraw/zinc/78/83/52/999788352.db2.gz OMXIUQIQTCPVEF-VEYUFSJPSA-N 2 1 408.586 3.878 20 0 HHADMP C[NH+]1CCN(c2ncc(C[NH2+]CC3(c4cccc(Cl)c4F)CCCC3)cn2)CC1 ZINC000480456328 999803224 /nfs/dbraw/zinc/80/32/24/999803224.db2.gz YRJPPMQMCHLFOA-UHFFFAOYSA-N 2 1 417.960 3.623 20 0 HHADMP C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489631679 999806532 /nfs/dbraw/zinc/80/65/32/999806532.db2.gz DYXGGSRDMAUDMN-GBXCKJPGSA-N 2 1 421.585 3.859 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000489651122 999810248 /nfs/dbraw/zinc/81/02/48/999810248.db2.gz SXMMMAZGXGIXOG-FQEVSTJZSA-N 2 1 411.512 3.631 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000489773160 999835495 /nfs/dbraw/zinc/83/54/95/999835495.db2.gz KOHYJPPWSSQSSK-DQEYMECFSA-N 2 1 420.601 3.515 20 0 HHADMP O=C(NC[C@@H]1CC[NH+](CCc2ccccc2)C1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000489773160 999835497 /nfs/dbraw/zinc/83/54/97/999835497.db2.gz KOHYJPPWSSQSSK-DQEYMECFSA-N 2 1 420.601 3.515 20 0 HHADMP O=C(NC[C@@H]1CC[NH+](CCc2ccccc2)C1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000489773160 999835498 /nfs/dbraw/zinc/83/54/98/999835498.db2.gz KOHYJPPWSSQSSK-DQEYMECFSA-N 2 1 420.601 3.515 20 0 HHADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000480600802 999837633 /nfs/dbraw/zinc/83/76/33/999837633.db2.gz LVDTUCXMTBSIDA-RTBURBONSA-N 2 1 415.603 3.677 20 0 HHADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1 ZINC000480613137 999841285 /nfs/dbraw/zinc/84/12/85/999841285.db2.gz MIPSREOFDJTTKC-MOPGFXCFSA-N 2 1 415.603 3.820 20 0 HHADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)c1 ZINC000480613137 999841286 /nfs/dbraw/zinc/84/12/86/999841286.db2.gz MIPSREOFDJTTKC-MOPGFXCFSA-N 2 1 415.603 3.820 20 0 HHADMP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000480624507 999844050 /nfs/dbraw/zinc/84/40/50/999844050.db2.gz YZXHRBDPXMFTTH-RTBURBONSA-N 2 1 415.603 3.677 20 0 HHADMP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000480624505 999844136 /nfs/dbraw/zinc/84/41/36/999844136.db2.gz YZXHRBDPXMFTTH-RBUKOAKNSA-N 2 1 415.603 3.677 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000489822710 999844292 /nfs/dbraw/zinc/84/42/92/999844292.db2.gz ALPXHNMMCNAVAI-XPNTWCBSSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000489822710 999844299 /nfs/dbraw/zinc/84/42/99/999844299.db2.gz ALPXHNMMCNAVAI-XPNTWCBSSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000489822710 999844305 /nfs/dbraw/zinc/84/43/05/999844305.db2.gz ALPXHNMMCNAVAI-XPNTWCBSSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000489824316 999844462 /nfs/dbraw/zinc/84/44/62/999844462.db2.gz DTSHLMMJLFOLCI-OFVILXPXSA-N 2 1 420.601 3.992 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000489824315 999844506 /nfs/dbraw/zinc/84/45/06/999844506.db2.gz DTSHLMMJLFOLCI-BWKNWUBXSA-N 2 1 420.601 3.992 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000489838675 999846985 /nfs/dbraw/zinc/84/69/85/999846985.db2.gz UGRSJKXVOFJQOO-URXFXBBRSA-N 2 1 408.590 3.718 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000489838675 999846988 /nfs/dbraw/zinc/84/69/88/999846988.db2.gz UGRSJKXVOFJQOO-URXFXBBRSA-N 2 1 408.590 3.718 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000489838675 999846989 /nfs/dbraw/zinc/84/69/89/999846989.db2.gz UGRSJKXVOFJQOO-URXFXBBRSA-N 2 1 408.590 3.718 20 0 HHADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000489839146 999847207 /nfs/dbraw/zinc/84/72/07/999847207.db2.gz MSDCVJXSDTWYCN-RUZDIDTESA-N 2 1 420.601 3.646 20 0 HHADMP Brc1ccc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000480647346 999850356 /nfs/dbraw/zinc/85/03/56/999850356.db2.gz TTYHLPSVQOLDHM-UHFFFAOYSA-N 2 1 406.368 3.730 20 0 HHADMP O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480712631 999865791 /nfs/dbraw/zinc/86/57/91/999865791.db2.gz UEMPRNMYSBOYDG-SFHVURJKSA-N 2 1 405.533 3.700 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000480712631 999865792 /nfs/dbraw/zinc/86/57/92/999865792.db2.gz UEMPRNMYSBOYDG-SFHVURJKSA-N 2 1 405.533 3.700 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480712631 999865794 /nfs/dbraw/zinc/86/57/94/999865794.db2.gz UEMPRNMYSBOYDG-SFHVURJKSA-N 2 1 405.533 3.700 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)CC1 ZINC000490070104 999888706 /nfs/dbraw/zinc/88/87/06/999888706.db2.gz WGOLNLLPDPTDPR-RUZDIDTESA-N 2 1 420.601 3.652 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)CC1 ZINC000490070104 999888709 /nfs/dbraw/zinc/88/87/09/999888709.db2.gz WGOLNLLPDPTDPR-RUZDIDTESA-N 2 1 420.601 3.652 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000490256226 999923038 /nfs/dbraw/zinc/92/30/38/999923038.db2.gz XFVWMXDMCTUUSM-REWPJTCUSA-N 2 1 424.589 3.652 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1ccc(F)cc1 ZINC000490952812 1000026803 /nfs/dbraw/zinc/02/68/03/1000026803.db2.gz HSSPCWSFHSRJKR-NRFANRHFSA-N 2 1 416.566 3.799 20 0 HHADMP C[C@@H]1CN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC[N@H+](C2CCC2)C1 ZINC000490992454 1000031384 /nfs/dbraw/zinc/03/13/84/1000031384.db2.gz VXRBZEHVLHURID-REWPJTCUSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC[NH+](C2CCC2)C1 ZINC000490992454 1000031386 /nfs/dbraw/zinc/03/13/86/1000031386.db2.gz VXRBZEHVLHURID-REWPJTCUSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC[NH+](C2CCC2)C1 ZINC000490992454 1000031388 /nfs/dbraw/zinc/03/13/88/1000031388.db2.gz VXRBZEHVLHURID-REWPJTCUSA-N 2 1 412.622 3.803 20 0 HHADMP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000491022508 1000034860 /nfs/dbraw/zinc/03/48/60/1000034860.db2.gz SBIFCMCKTRCRLD-VGOFRKELSA-N 2 1 413.997 3.563 20 0 HHADMP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000491022508 1000034862 /nfs/dbraw/zinc/03/48/62/1000034862.db2.gz SBIFCMCKTRCRLD-VGOFRKELSA-N 2 1 413.997 3.563 20 0 HHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3coc(-c4ccc(F)c(F)c4)n3)CC2)C[C@@H](C)O1 ZINC000491055186 1000039854 /nfs/dbraw/zinc/03/98/54/1000039854.db2.gz FUXYYNYDBMVXER-HZPDHXFCSA-N 2 1 405.489 3.941 20 0 HHADMP CCCC[N@@H+](C)CCNC(=O)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000491081035 1000043437 /nfs/dbraw/zinc/04/34/37/1000043437.db2.gz ALUFEFDQWWEKCN-UHFFFAOYSA-N 2 1 414.516 3.655 20 0 HHADMP CCCC[NH+](C)CCNC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000491081035 1000043438 /nfs/dbraw/zinc/04/34/38/1000043438.db2.gz ALUFEFDQWWEKCN-UHFFFAOYSA-N 2 1 414.516 3.655 20 0 HHADMP CCCC[NH+](C)CCNC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000491081035 1000043439 /nfs/dbraw/zinc/04/34/39/1000043439.db2.gz ALUFEFDQWWEKCN-UHFFFAOYSA-N 2 1 414.516 3.655 20 0 HHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)CC2)cc1 ZINC000491247691 1000058486 /nfs/dbraw/zinc/05/84/86/1000058486.db2.gz QMQUNRFRZYWCSC-UHFFFAOYSA-N 2 1 424.593 3.623 20 0 HHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](c3cnn(C)c3)c3cccc(F)c3)CC2)oc1C ZINC000491998042 1000104254 /nfs/dbraw/zinc/10/42/54/1000104254.db2.gz JWNKHJJCDWMPFA-HSZRJFAPSA-N 2 1 411.525 3.755 20 0 HHADMP C[C@@H]([NH2+]CCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492294974 1000120420 /nfs/dbraw/zinc/12/04/20/1000120420.db2.gz TUXGDBNBLLUHJH-TZIWHRDSSA-N 2 1 405.542 3.563 20 0 HHADMP C[C@H]([NH2+]CCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492294973 1000120444 /nfs/dbraw/zinc/12/04/44/1000120444.db2.gz TUXGDBNBLLUHJH-PZJWPPBQSA-N 2 1 405.542 3.563 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000492296705 1000120477 /nfs/dbraw/zinc/12/04/77/1000120477.db2.gz YSYRWBJAVJSZBJ-LJQANCHMSA-N 2 1 413.993 3.984 20 0 HHADMP CC[NH+](CC)Cc1ccc(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)cc1 ZINC000493240995 1000164750 /nfs/dbraw/zinc/16/47/50/1000164750.db2.gz XOUYKWJSBKCLRK-UHFFFAOYSA-N 2 1 413.472 3.977 20 0 HHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)CC3 ZINC000493276516 1000166466 /nfs/dbraw/zinc/16/64/66/1000166466.db2.gz KECOVOYXKRTVJV-PQNGQFLHSA-N 2 1 403.570 3.806 20 0 HHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)CC3 ZINC000493276516 1000166469 /nfs/dbraw/zinc/16/64/69/1000166469.db2.gz KECOVOYXKRTVJV-PQNGQFLHSA-N 2 1 403.570 3.806 20 0 HHADMP COc1ccc([C@H]2CC[N@H+]([C@@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000504521328 1000248633 /nfs/dbraw/zinc/24/86/33/1000248633.db2.gz KPTLFXOSCOPRTF-REWPJTCUSA-N 2 1 421.585 3.654 20 0 HHADMP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000504589069 1000282566 /nfs/dbraw/zinc/28/25/66/1000282566.db2.gz HGJYEBLDIFXYMJ-OAQYLSRUSA-N 2 1 422.617 3.868 20 0 HHADMP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000504589069 1000282573 /nfs/dbraw/zinc/28/25/73/1000282573.db2.gz HGJYEBLDIFXYMJ-OAQYLSRUSA-N 2 1 422.617 3.868 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000504653547 1000310346 /nfs/dbraw/zinc/31/03/46/1000310346.db2.gz DPMGVEPYTOVRPR-VXKWHMMOSA-N 2 1 414.638 3.549 20 0 HHADMP CC(C)[C@@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)[NH+]1CCC(C)CC1 ZINC000494278935 1000407147 /nfs/dbraw/zinc/40/71/47/1000407147.db2.gz FQULCASOGOKCQD-GOSISDBHSA-N 2 1 405.493 3.691 20 0 HHADMP C[C@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000504871240 1000416876 /nfs/dbraw/zinc/41/68/76/1000416876.db2.gz XAUCSCVBVVJFCQ-NQIIRXRSSA-N 2 1 412.603 3.631 20 0 HHADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000504977614 1000484103 /nfs/dbraw/zinc/48/41/03/1000484103.db2.gz SQPHFTQNOBXMPF-SFHVURJKSA-N 2 1 414.619 3.836 20 0 HHADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000504977614 1000484107 /nfs/dbraw/zinc/48/41/07/1000484107.db2.gz SQPHFTQNOBXMPF-SFHVURJKSA-N 2 1 414.619 3.836 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000504988739 1000491442 /nfs/dbraw/zinc/49/14/42/1000491442.db2.gz OQEJYYQWACTUJV-RXVVDRJESA-N 2 1 414.619 3.877 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000504988739 1000491443 /nfs/dbraw/zinc/49/14/43/1000491443.db2.gz OQEJYYQWACTUJV-RXVVDRJESA-N 2 1 414.619 3.877 20 0 HHADMP Cc1cccc(C)c1OCC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000494584557 1000565019 /nfs/dbraw/zinc/56/50/19/1000565019.db2.gz VLZJWCRDHQBCSK-UHFFFAOYSA-N 2 1 423.601 3.642 20 0 HHADMP O=C([C@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505267278 1000657836 /nfs/dbraw/zinc/65/78/36/1000657836.db2.gz DTVPILPHWYMHRY-HSZRJFAPSA-N 2 1 401.570 3.905 20 0 HHADMP O=C([C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505267278 1000657843 /nfs/dbraw/zinc/65/78/43/1000657843.db2.gz DTVPILPHWYMHRY-HSZRJFAPSA-N 2 1 401.570 3.905 20 0 HHADMP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000505415037 1000757589 /nfs/dbraw/zinc/75/75/89/1000757589.db2.gz MSRDOXBAUOCFLL-NRFANRHFSA-N 2 1 401.501 3.522 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccsc1 ZINC000505604626 1000930489 /nfs/dbraw/zinc/93/04/89/1000930489.db2.gz SPAYDBHRJVLIDW-RTBURBONSA-N 2 1 407.530 3.624 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000505738128 1001000885 /nfs/dbraw/zinc/00/08/85/1001000885.db2.gz MUCODVJMIPSDPP-CVDCTZTESA-N 2 1 411.590 3.826 20 0 HHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CC=C(c4ccc(F)cc4)CC3)cc2)CC1 ZINC000497527007 1001420279 /nfs/dbraw/zinc/42/02/79/1001420279.db2.gz VMHMSUPFLWFEJN-XMMPIXPASA-N 2 1 407.533 3.939 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000506467447 1001426153 /nfs/dbraw/zinc/42/61/53/1001426153.db2.gz GEGGGNGCCPXEKU-UHFFFAOYSA-N 2 1 400.611 3.936 20 0 HHADMP C[NH+]1CCC(CCNC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)CC1 ZINC000506472235 1001427720 /nfs/dbraw/zinc/42/77/20/1001427720.db2.gz YATHVRRZYKASFS-UHFFFAOYSA-N 2 1 418.585 3.816 20 0 HHADMP C[C@H](CCNC(=O)NC1CC[NH+](CC2CCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000497565323 1001437853 /nfs/dbraw/zinc/43/78/53/1001437853.db2.gz ZLGXZTDBNSMEQI-HXUWFJFHSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCC2(F)F)C1 ZINC000506526612 1001451539 /nfs/dbraw/zinc/45/15/39/1001451539.db2.gz QOOMTKNATIATJQ-FPOVZHCZSA-N 2 1 407.549 3.772 20 0 HHADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000506526612 1001451542 /nfs/dbraw/zinc/45/15/42/1001451542.db2.gz QOOMTKNATIATJQ-FPOVZHCZSA-N 2 1 407.549 3.772 20 0 HHADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000506526612 1001451545 /nfs/dbraw/zinc/45/15/45/1001451545.db2.gz QOOMTKNATIATJQ-FPOVZHCZSA-N 2 1 407.549 3.772 20 0 HHADMP CC(C)C[C@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)[NH2+][C@@H](C)c1ccccc1 ZINC000497612133 1001458673 /nfs/dbraw/zinc/45/86/73/1001458673.db2.gz RUCWILATIUDCQG-IZBOUPIGSA-N 2 1 400.611 3.878 20 0 HHADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000497615487 1001459631 /nfs/dbraw/zinc/45/96/31/1001459631.db2.gz PPHQYAUVPFXOBC-NRFANRHFSA-N 2 1 401.570 3.809 20 0 HHADMP CN(C(=O)N[C@H](C[NH+]1CCc2ccccc2C1)C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000497617531 1001460485 /nfs/dbraw/zinc/46/04/85/1001460485.db2.gz QUXZXNZLWGWWPZ-HNTVYWHESA-N 2 1 412.622 3.726 20 0 HHADMP CN(C(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000497617531 1001460489 /nfs/dbraw/zinc/46/04/89/1001460489.db2.gz QUXZXNZLWGWWPZ-HNTVYWHESA-N 2 1 412.622 3.726 20 0 HHADMP CN(C(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000497617531 1001460493 /nfs/dbraw/zinc/46/04/93/1001460493.db2.gz QUXZXNZLWGWWPZ-HNTVYWHESA-N 2 1 412.622 3.726 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)[NH+](C)C)cc1 ZINC000506621463 1001473986 /nfs/dbraw/zinc/47/39/86/1001473986.db2.gz RPMPCQHXDMOPLX-FUDKSRODSA-N 2 1 400.611 3.894 20 0 HHADMP C[C@H](Cc1ccc(O)cc1)[NH+](C)CC1(C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)COC1 ZINC000497845349 1001534614 /nfs/dbraw/zinc/53/46/14/1001534614.db2.gz NNFJWDNHIONYAN-BGYRXZFFSA-N 2 1 412.574 3.540 20 0 HHADMP C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CC1(C[NH+](C)[C@@H](C)Cc2ccc(O)cc2)COC1 ZINC000497845349 1001534616 /nfs/dbraw/zinc/53/46/16/1001534616.db2.gz NNFJWDNHIONYAN-BGYRXZFFSA-N 2 1 412.574 3.540 20 0 HHADMP C[C@H](Cc1ccc(O)cc1)[N@H+](C)CC1(C[NH+](C)[C@@H](C)Cc2ccc(O)cc2)COC1 ZINC000497845349 1001534619 /nfs/dbraw/zinc/53/46/19/1001534619.db2.gz NNFJWDNHIONYAN-BGYRXZFFSA-N 2 1 412.574 3.540 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)c1ccccc1Cl ZINC000498136172 1001657400 /nfs/dbraw/zinc/65/74/00/1001657400.db2.gz JZBOVPUTWAPZTD-IOMROCGXSA-N 2 1 407.002 3.849 20 0 HHADMP C[C@@H](C[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1)CN1CC[NH+](C)CC1 ZINC000498456087 1001884304 /nfs/dbraw/zinc/88/43/04/1001884304.db2.gz ZYJUOAQUFUVIAQ-OXJNMPFZSA-N 2 1 406.368 3.605 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000498616860 1002017220 /nfs/dbraw/zinc/01/72/20/1002017220.db2.gz JUJQAHCMUPYCCH-UPVQGACJSA-N 2 1 421.585 3.861 20 0 HHADMP CC[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)C1 ZINC000507383262 1002038775 /nfs/dbraw/zinc/03/87/75/1002038775.db2.gz SJMCWZXNZQVDOW-TXTKFYIRSA-N 2 1 400.611 3.696 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000498689922 1002077635 /nfs/dbraw/zinc/07/76/35/1002077635.db2.gz ORPRQFPOBQRUTF-FCHUYYIVSA-N 2 1 422.564 3.862 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000498689922 1002077646 /nfs/dbraw/zinc/07/76/46/1002077646.db2.gz ORPRQFPOBQRUTF-FCHUYYIVSA-N 2 1 422.564 3.862 20 0 HHADMP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000498691438 1002078309 /nfs/dbraw/zinc/07/83/09/1002078309.db2.gz CZRKDOUSLNAUIM-FTBPSBKWSA-N 2 1 420.601 3.813 20 0 HHADMP C[C@H](NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498691438 1002078319 /nfs/dbraw/zinc/07/83/19/1002078319.db2.gz CZRKDOUSLNAUIM-FTBPSBKWSA-N 2 1 420.601 3.813 20 0 HHADMP C[C@H](NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498691438 1002078327 /nfs/dbraw/zinc/07/83/27/1002078327.db2.gz CZRKDOUSLNAUIM-FTBPSBKWSA-N 2 1 420.601 3.813 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000498717171 1002099064 /nfs/dbraw/zinc/09/90/64/1002099064.db2.gz LVTKGWOWBFAOCL-RBBKRZOGSA-N 2 1 412.578 3.572 20 0 HHADMP O=c1ccccn1Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000507510912 1002121427 /nfs/dbraw/zinc/12/14/27/1002121427.db2.gz NNJOIVNWZDXVBS-KKUQBAQOSA-N 2 1 413.565 3.897 20 0 HHADMP O=C1[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCN1c1ccccc1Cl ZINC000507519818 1002129406 /nfs/dbraw/zinc/12/94/06/1002129406.db2.gz KLKLOFOOKKVGJG-SEIRJHJZSA-N 2 1 409.961 3.946 20 0 HHADMP O=C1[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCN1c1ccccc1Cl ZINC000507519818 1002129412 /nfs/dbraw/zinc/12/94/12/1002129412.db2.gz KLKLOFOOKKVGJG-SEIRJHJZSA-N 2 1 409.961 3.946 20 0 HHADMP COC1CC[NH+](C2(CN[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)CCCC2)CC1 ZINC000507537425 1002145397 /nfs/dbraw/zinc/14/53/97/1002145397.db2.gz YBGIBMONPAOFFR-QLBJFCOMSA-N 2 1 411.634 3.910 20 0 HHADMP COC1CCN(C2(C[NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)CCCC2)CC1 ZINC000507537425 1002145430 /nfs/dbraw/zinc/14/54/30/1002145430.db2.gz YBGIBMONPAOFFR-QLBJFCOMSA-N 2 1 411.634 3.910 20 0 HHADMP COC1CCN(C2(C[NH2+][C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)CCCC2)CC1 ZINC000507537425 1002145407 /nfs/dbraw/zinc/14/54/07/1002145407.db2.gz YBGIBMONPAOFFR-QLBJFCOMSA-N 2 1 411.634 3.910 20 0 HHADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000499102064 1002492917 /nfs/dbraw/zinc/49/29/17/1002492917.db2.gz QDSWICGKVVXSLQ-IEXUWNMDSA-N 2 1 424.589 3.508 20 0 HHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000499114487 1002503673 /nfs/dbraw/zinc/50/36/73/1002503673.db2.gz XVFJKMLFMYZYNP-NPDDRXJXSA-N 2 1 412.578 3.919 20 0 HHADMP Cc1ccc([C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)N2CCOCC2)o1 ZINC000499154088 1002538037 /nfs/dbraw/zinc/53/80/37/1002538037.db2.gz TWAOMTWZLAFZLU-JLLPCOHGSA-N 2 1 409.574 3.747 20 0 HHADMP Cc1ccc([C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)N2CCOCC2)o1 ZINC000499154088 1002538041 /nfs/dbraw/zinc/53/80/41/1002538041.db2.gz TWAOMTWZLAFZLU-JLLPCOHGSA-N 2 1 409.574 3.747 20 0 HHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H](c2ccccc2)N2CCOCC2)C3)cc1 ZINC000499162183 1002548201 /nfs/dbraw/zinc/54/82/01/1002548201.db2.gz AHROVFHJUIEVHO-XDZVQPMWSA-N 2 1 405.586 3.845 20 0 HHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCN2CC[NH+](Cc4ccccc4)CC2)C3)cc1 ZINC000499163504 1002549444 /nfs/dbraw/zinc/54/94/44/1002549444.db2.gz WFGSAQCLYRETPY-OJXFFNQFSA-N 3 1 418.629 3.589 20 0 HHADMP COc1ccc(CN2CC[C@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2=O)cc1 ZINC000499216794 1002601132 /nfs/dbraw/zinc/60/11/32/1002601132.db2.gz TVYRKDSNIKWQRW-AANQFLQQSA-N 2 1 419.569 3.581 20 0 HHADMP COc1ccc(CN2CC[C@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2=O)cc1 ZINC000499216794 1002601142 /nfs/dbraw/zinc/60/11/42/1002601142.db2.gz TVYRKDSNIKWQRW-AANQFLQQSA-N 2 1 419.569 3.581 20 0 HHADMP C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499221127 1002606881 /nfs/dbraw/zinc/60/68/81/1002606881.db2.gz CYASOIIQNAEJGW-KQPVPGJTSA-N 2 1 418.629 3.982 20 0 HHADMP COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000499315592 1002722329 /nfs/dbraw/zinc/72/23/29/1002722329.db2.gz YAJZRTWVVPEEHI-GAJHUEQPSA-N 2 1 421.545 3.852 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000499517984 1002907160 /nfs/dbraw/zinc/90/71/60/1002907160.db2.gz FXZWWCAARPTEKA-SFHVURJKSA-N 2 1 421.010 3.952 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000508604197 1003059758 /nfs/dbraw/zinc/05/97/58/1003059758.db2.gz MHYDUWNLXQYVAL-UHFFFAOYSA-N 2 1 422.617 3.596 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000508604197 1003059782 /nfs/dbraw/zinc/05/97/82/1003059782.db2.gz MHYDUWNLXQYVAL-UHFFFAOYSA-N 2 1 422.617 3.596 20 0 HHADMP CCC[N@H+](CC)Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000508604197 1003059771 /nfs/dbraw/zinc/05/97/71/1003059771.db2.gz MHYDUWNLXQYVAL-UHFFFAOYSA-N 2 1 422.617 3.596 20 0 HHADMP C[C@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508699971 1003138155 /nfs/dbraw/zinc/13/81/55/1003138155.db2.gz PKRGUNZVTGYIRH-UNMCSNQZSA-N 2 1 422.569 3.964 20 0 HHADMP Cc1cccc(C[NH+]2CCN(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)CC2)c1 ZINC000500153692 1003508925 /nfs/dbraw/zinc/50/89/25/1003508925.db2.gz JTMCDMATWPIYDS-UHFFFAOYSA-N 2 1 406.574 3.618 20 0 HHADMP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CCOCC1)c1ccccc1 ZINC000500482196 1003740513 /nfs/dbraw/zinc/74/05/13/1003740513.db2.gz BIDUKZQWJLGLOR-QPPBQGQZSA-N 2 1 421.585 3.667 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000509365706 1003794170 /nfs/dbraw/zinc/79/41/70/1003794170.db2.gz LENNOJJSBSSENX-YLJYHZDGSA-N 2 1 410.587 3.592 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000509365706 1003794179 /nfs/dbraw/zinc/79/41/79/1003794179.db2.gz LENNOJJSBSSENX-YLJYHZDGSA-N 2 1 410.587 3.592 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000509365706 1003794190 /nfs/dbraw/zinc/79/41/90/1003794190.db2.gz LENNOJJSBSSENX-YLJYHZDGSA-N 2 1 410.587 3.592 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000509365706 1003794200 /nfs/dbraw/zinc/79/42/00/1003794200.db2.gz LENNOJJSBSSENX-YLJYHZDGSA-N 2 1 410.587 3.592 20 0 HHADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000511844267 1003821362 /nfs/dbraw/zinc/82/13/62/1003821362.db2.gz RPLMWRQVZFWNMJ-HXUWFJFHSA-N 2 1 405.464 3.771 20 0 HHADMP C[NH+]1CCN(c2ncc(C[NH+]3CCC(c4ccc(C(F)(F)F)cc4)CC3)cn2)CC1 ZINC000500719276 1003918927 /nfs/dbraw/zinc/91/89/27/1003918927.db2.gz LWBDGPXTULGEJO-UHFFFAOYSA-N 2 1 419.495 3.627 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000500839007 1003993743 /nfs/dbraw/zinc/99/37/43/1003993743.db2.gz CIHYPQPOFPCLDD-DLBZAZTESA-N 2 1 401.501 3.785 20 0 HHADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)s1 ZINC000512097754 1004021455 /nfs/dbraw/zinc/02/14/55/1004021455.db2.gz FPKXXBNGTYIVOT-CQSZACIVSA-N 2 1 409.397 3.583 20 0 HHADMP C[NH+](C)CCc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000512171564 1004074756 /nfs/dbraw/zinc/07/47/56/1004074756.db2.gz HKKZYILGYQANPV-XMMPIXPASA-N 2 1 422.617 3.891 20 0 HHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3nc4cc(C(F)(F)F)ccc4n3C)CC2)C[C@H](C)O1 ZINC000512181282 1004083852 /nfs/dbraw/zinc/08/38/52/1004083852.db2.gz PNFATGPTUNLUMQ-HOTGVXAUSA-N 2 1 424.511 3.913 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccccc3OCC(F)(F)F)CC2)C[C@H](C)O1 ZINC000512183737 1004085911 /nfs/dbraw/zinc/08/59/11/1004085911.db2.gz VXHDVBSXIVSYFI-CALCHBBNSA-N 2 1 400.485 3.949 20 0 HHADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512197133 1004097303 /nfs/dbraw/zinc/09/73/03/1004097303.db2.gz SJWRWXFIPBEAGZ-BGYRXZFFSA-N 2 1 410.606 3.869 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)CC1 ZINC000501013371 1004116787 /nfs/dbraw/zinc/11/67/87/1004116787.db2.gz ZNWCCJLZADJOSS-UHFFFAOYSA-N 2 1 415.601 3.507 20 0 HHADMP C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501021602 1004123972 /nfs/dbraw/zinc/12/39/72/1004123972.db2.gz GRJVSGNUWSQIBX-GOSISDBHSA-N 2 1 410.587 3.757 20 0 HHADMP C[C@H](NC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Cl ZINC000501028470 1004132634 /nfs/dbraw/zinc/13/26/34/1004132634.db2.gz YXMMOPVMDJJSFD-KRWDZBQOSA-N 2 1 400.954 3.761 20 0 HHADMP Cc1cc2ncn(C[C@@H](O)C[N@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)c2cc1C ZINC000512235500 1004135878 /nfs/dbraw/zinc/13/58/78/1004135878.db2.gz CJKMBNFCSWWDMT-JYFHCDHNSA-N 2 1 418.585 3.612 20 0 HHADMP Cc1cc2ncn(C[C@@H](O)C[NH+]3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)c2cc1C ZINC000512235500 1004135883 /nfs/dbraw/zinc/13/58/83/1004135883.db2.gz CJKMBNFCSWWDMT-JYFHCDHNSA-N 2 1 418.585 3.612 20 0 HHADMP Cc1cc2ncn(C[C@@H](O)C[NH+]3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)c2cc1C ZINC000512235500 1004135888 /nfs/dbraw/zinc/13/58/88/1004135888.db2.gz CJKMBNFCSWWDMT-JYFHCDHNSA-N 2 1 418.585 3.612 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CC=C(c3cccc(Br)c3)CC2)CC1 ZINC000501034558 1004137869 /nfs/dbraw/zinc/13/78/69/1004137869.db2.gz CBAANLPDPXQTAY-UHFFFAOYSA-N 2 1 406.412 3.954 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)CC1 ZINC000501059667 1004161496 /nfs/dbraw/zinc/16/14/96/1004161496.db2.gz NZQAOLBQFXOYJX-QFIPXVFZSA-N 2 1 401.986 3.567 20 0 HHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(N3CCCC3)cc2C)CC1 ZINC000512271254 1004172622 /nfs/dbraw/zinc/17/26/22/1004172622.db2.gz PKENYNVGIYLWNE-UHFFFAOYSA-N 2 1 400.611 3.978 20 0 HHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(N3CCCC3)cc2C)CC1 ZINC000512271254 1004172627 /nfs/dbraw/zinc/17/26/27/1004172627.db2.gz PKENYNVGIYLWNE-UHFFFAOYSA-N 2 1 400.611 3.978 20 0 HHADMP C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501071918 1004174615 /nfs/dbraw/zinc/17/46/15/1004174615.db2.gz ARZODEYUFKWUBH-INIZCTEOSA-N 2 1 409.559 3.867 20 0 HHADMP CC(C)[C@H](NC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000501074366 1004178132 /nfs/dbraw/zinc/17/81/32/1004178132.db2.gz HDOYLBAXYMKFKJ-DEOSSOPVSA-N 2 1 412.553 3.882 20 0 HHADMP O[C@H](COCc1ccccc1Cl)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512293929 1004197686 /nfs/dbraw/zinc/19/76/86/1004197686.db2.gz NIZSXLUAOYYQQK-LADGPHEKSA-N 2 1 414.977 3.816 20 0 HHADMP O[C@H](COCc1ccccc1Cl)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512293929 1004197696 /nfs/dbraw/zinc/19/76/96/1004197696.db2.gz NIZSXLUAOYYQQK-LADGPHEKSA-N 2 1 414.977 3.816 20 0 HHADMP O[C@H](COCc1ccccc1Cl)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512293929 1004197703 /nfs/dbraw/zinc/19/77/03/1004197703.db2.gz NIZSXLUAOYYQQK-LADGPHEKSA-N 2 1 414.977 3.816 20 0 HHADMP O[C@H](COCc1ccccc1Cl)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512293932 1004198235 /nfs/dbraw/zinc/19/82/35/1004198235.db2.gz NIZSXLUAOYYQQK-UPVQGACJSA-N 2 1 414.977 3.816 20 0 HHADMP O[C@H](COCc1ccccc1Cl)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512293932 1004198240 /nfs/dbraw/zinc/19/82/40/1004198240.db2.gz NIZSXLUAOYYQQK-UPVQGACJSA-N 2 1 414.977 3.816 20 0 HHADMP O[C@H](COCc1ccccc1Cl)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512293932 1004198246 /nfs/dbraw/zinc/19/82/46/1004198246.db2.gz NIZSXLUAOYYQQK-UPVQGACJSA-N 2 1 414.977 3.816 20 0 HHADMP CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000512339535 1004227375 /nfs/dbraw/zinc/22/73/75/1004227375.db2.gz WUBYFCMCZSDZLF-NHCUHLMSSA-N 2 1 403.611 3.736 20 0 HHADMP CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000512339536 1004227564 /nfs/dbraw/zinc/22/75/64/1004227564.db2.gz WUBYFCMCZSDZLF-OYRHEFFESA-N 2 1 403.611 3.736 20 0 HHADMP CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000512339536 1004227574 /nfs/dbraw/zinc/22/75/74/1004227574.db2.gz WUBYFCMCZSDZLF-OYRHEFFESA-N 2 1 403.611 3.736 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)NCC[C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512393000 1004266250 /nfs/dbraw/zinc/26/62/50/1004266250.db2.gz NADIQTUIHRCFGW-JTHBVZDNSA-N 2 1 421.589 3.522 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)NCC[C@@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512393000 1004266260 /nfs/dbraw/zinc/26/62/60/1004266260.db2.gz NADIQTUIHRCFGW-JTHBVZDNSA-N 2 1 421.589 3.522 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N(CC[NH+](C)C)Cc2ccco2)C[N@H+]1Cc1ccccc1 ZINC000512413263 1004280780 /nfs/dbraw/zinc/28/07/80/1004280780.db2.gz USADKKCDAVUDDX-IFMALSPDSA-N 2 1 412.578 3.654 20 0 HHADMP CCC[NH+]1CCC(N(C)C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512423398 1004289766 /nfs/dbraw/zinc/28/97/66/1004289766.db2.gz GIUBKDVVDJMOHE-UNMCSNQZSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000512424678 1004290830 /nfs/dbraw/zinc/29/08/30/1004290830.db2.gz SHFPAYMENQPXGI-JVICHNFNSA-N 2 1 424.633 3.945 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000512424678 1004290837 /nfs/dbraw/zinc/29/08/37/1004290837.db2.gz SHFPAYMENQPXGI-JVICHNFNSA-N 2 1 424.633 3.945 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000512424678 1004290854 /nfs/dbraw/zinc/29/08/54/1004290854.db2.gz SHFPAYMENQPXGI-JVICHNFNSA-N 2 1 424.633 3.945 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000512429942 1004297040 /nfs/dbraw/zinc/29/70/40/1004297040.db2.gz KTSZKRBHUJYQAO-SKWRMQMOSA-N 2 1 400.611 3.801 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000512429942 1004297048 /nfs/dbraw/zinc/29/70/48/1004297048.db2.gz KTSZKRBHUJYQAO-SKWRMQMOSA-N 2 1 400.611 3.801 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000512429942 1004297059 /nfs/dbraw/zinc/29/70/59/1004297059.db2.gz KTSZKRBHUJYQAO-SKWRMQMOSA-N 2 1 400.611 3.801 20 0 HHADMP O=C(NCC[N@H+]1CCc2ccccc2C1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000501245050 1004310141 /nfs/dbraw/zinc/31/01/41/1004310141.db2.gz LCSWWHOBJPRFED-UHFFFAOYSA-N 2 1 406.574 3.530 20 0 HHADMP C[C@H](CNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)[NH+]1CCCC[C@@H]1C ZINC000510144541 1004354408 /nfs/dbraw/zinc/35/44/08/1004354408.db2.gz LMPFMFQSFIVTFH-FCHUYYIVSA-N 2 1 400.611 3.599 20 0 HHADMP C[C@H](CNC(=O)N1CCC[NH+](CCCc2ccccc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000510144541 1004354419 /nfs/dbraw/zinc/35/44/19/1004354419.db2.gz LMPFMFQSFIVTFH-FCHUYYIVSA-N 2 1 400.611 3.599 20 0 HHADMP C[C@H](CNC(=O)N1CCC[NH+](CCCc2ccccc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000510144541 1004354424 /nfs/dbraw/zinc/35/44/24/1004354424.db2.gz LMPFMFQSFIVTFH-FCHUYYIVSA-N 2 1 400.611 3.599 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)[NH+]1CCCC[C@H]1C ZINC000510144544 1004354776 /nfs/dbraw/zinc/35/47/76/1004354776.db2.gz LMPFMFQSFIVTFH-YADHBBJMSA-N 2 1 400.611 3.599 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[NH+](CCCc2ccccc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000510144544 1004354783 /nfs/dbraw/zinc/35/47/83/1004354783.db2.gz LMPFMFQSFIVTFH-YADHBBJMSA-N 2 1 400.611 3.599 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[NH+](CCCc2ccccc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000510144544 1004354791 /nfs/dbraw/zinc/35/47/91/1004354791.db2.gz LMPFMFQSFIVTFH-YADHBBJMSA-N 2 1 400.611 3.599 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000501387925 1004383762 /nfs/dbraw/zinc/38/37/62/1004383762.db2.gz CBVGHGWTJJJSAR-ZJMJOCHXSA-N 2 1 420.548 3.757 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000501387925 1004383769 /nfs/dbraw/zinc/38/37/69/1004383769.db2.gz CBVGHGWTJJJSAR-ZJMJOCHXSA-N 2 1 420.548 3.757 20 0 HHADMP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)COc1ccc(F)c(F)c1 ZINC000512618279 1004431286 /nfs/dbraw/zinc/43/12/86/1004431286.db2.gz IACZVNHJWFHTPF-YWQGAKJTSA-N 2 1 416.512 3.595 20 0 HHADMP O=S(=O)(CCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000512625961 1004438822 /nfs/dbraw/zinc/43/88/22/1004438822.db2.gz RAOBPOCFZJNXGM-QPTUXGOLSA-N 2 1 412.599 3.741 20 0 HHADMP O=S(=O)(CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000512625961 1004438848 /nfs/dbraw/zinc/43/88/48/1004438848.db2.gz RAOBPOCFZJNXGM-QPTUXGOLSA-N 2 1 412.599 3.741 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCC[C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000510270831 1004439653 /nfs/dbraw/zinc/43/96/53/1004439653.db2.gz HGYNIQGZVIAQTR-AKIFATBCSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000510270831 1004439655 /nfs/dbraw/zinc/43/96/55/1004439655.db2.gz HGYNIQGZVIAQTR-AKIFATBCSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000510270831 1004439658 /nfs/dbraw/zinc/43/96/58/1004439658.db2.gz HGYNIQGZVIAQTR-AKIFATBCSA-N 2 1 400.611 3.564 20 0 HHADMP c1ncn(Cc2ccc(C[NH2+][C@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)cc2)n1 ZINC000512646764 1004458338 /nfs/dbraw/zinc/45/83/38/1004458338.db2.gz CYLLCBQCUGMHRY-GVAUOCQISA-N 2 1 401.558 3.717 20 0 HHADMP O=C(C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)Nc1ccc(F)c(F)c1F ZINC000512650357 1004461645 /nfs/dbraw/zinc/46/16/45/1004461645.db2.gz ZLVZGHNGHFKORM-JENIJYKNSA-N 2 1 417.475 3.933 20 0 HHADMP O=C(C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)Nc1ccc(F)c(F)c1F ZINC000512650357 1004461654 /nfs/dbraw/zinc/46/16/54/1004461654.db2.gz ZLVZGHNGHFKORM-JENIJYKNSA-N 2 1 417.475 3.933 20 0 HHADMP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)(N2CCCCC2)CC1 ZINC000512662576 1004472994 /nfs/dbraw/zinc/47/29/94/1004472994.db2.gz YPOKUVOUKHJUAF-KKUQBAQOSA-N 3 1 424.677 3.827 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000510324706 1004482135 /nfs/dbraw/zinc/48/21/35/1004482135.db2.gz RMHNGVPETMNCSV-NFBKMPQASA-N 2 1 400.611 3.708 20 0 HHADMP C[C@H](NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000512708693 1004508617 /nfs/dbraw/zinc/50/86/17/1004508617.db2.gz VFRDRIZOWYCNBF-QNWVGRARSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@H](NC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512708693 1004508627 /nfs/dbraw/zinc/50/86/27/1004508627.db2.gz VFRDRIZOWYCNBF-QNWVGRARSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@H](NC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512708693 1004508637 /nfs/dbraw/zinc/50/86/37/1004508637.db2.gz VFRDRIZOWYCNBF-QNWVGRARSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@H](NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512710945 1004509637 /nfs/dbraw/zinc/50/96/37/1004509637.db2.gz CLEZMDAWXODRKZ-UNMCSNQZSA-N 2 1 412.622 3.945 20 0 HHADMP COc1ccc([C@H](CNC(=O)NCCC[N@@H+](C)C2CCCCC2)[NH+]2CCCC2)cc1 ZINC000501602511 1004545102 /nfs/dbraw/zinc/54/51/02/1004545102.db2.gz NDXJPYNVTFZELL-QHCPKHFHSA-N 2 1 416.610 3.786 20 0 HHADMP COCC[N@H+](C)CCCC1CCN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000501631302 1004564554 /nfs/dbraw/zinc/56/45/54/1004564554.db2.gz VAAXXHMTADNPDT-OAQYLSRUSA-N 2 1 410.002 3.540 20 0 HHADMP COCC[N@@H+](C)CCCC1CCN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000501631302 1004564563 /nfs/dbraw/zinc/56/45/63/1004564563.db2.gz VAAXXHMTADNPDT-OAQYLSRUSA-N 2 1 410.002 3.540 20 0 HHADMP O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000512825818 1004584438 /nfs/dbraw/zinc/58/44/38/1004584438.db2.gz GYOJNRKVAPDNPR-UXHICEINSA-N 2 1 424.511 3.550 20 0 HHADMP CC(C)Oc1ccc([C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)[NH+](C)C)cc1 ZINC000512830677 1004588899 /nfs/dbraw/zinc/58/88/99/1004588899.db2.gz BLVICZUUOOOQPQ-FUPPJEDESA-N 2 1 416.610 3.733 20 0 HHADMP C[C@@H](NC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)C1=CC[NH+](C)CC1 ZINC000510480882 1004597654 /nfs/dbraw/zinc/59/76/54/1004597654.db2.gz LSKAXPULDVIJGG-XMSQKQJNSA-N 2 1 424.614 3.797 20 0 HHADMP C[C@@H](NC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)C1=CC[NH+](C)CC1 ZINC000510480882 1004597656 /nfs/dbraw/zinc/59/76/56/1004597656.db2.gz LSKAXPULDVIJGG-XMSQKQJNSA-N 2 1 424.614 3.797 20 0 HHADMP C[C@@H](NC(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)C1=CC[N@H+](C)CC1 ZINC000510480882 1004597663 /nfs/dbraw/zinc/59/76/63/1004597663.db2.gz LSKAXPULDVIJGG-XMSQKQJNSA-N 2 1 424.614 3.797 20 0 HHADMP C[C@@H](NC(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)C1=CC[N@@H+](C)CC1 ZINC000510480882 1004597666 /nfs/dbraw/zinc/59/76/66/1004597666.db2.gz LSKAXPULDVIJGG-XMSQKQJNSA-N 2 1 424.614 3.797 20 0 HHADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCC[C@@H]3c3cccc(C(F)(F)F)c3)cn2)CC1 ZINC000512856017 1004618370 /nfs/dbraw/zinc/61/83/70/1004618370.db2.gz KYFCMUSYDLECIC-WOJBJXKFSA-N 2 1 419.495 3.673 20 0 HHADMP CC(C)Oc1ccc([C@@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)[NH+](C)C)cc1 ZINC000512919524 1004693314 /nfs/dbraw/zinc/69/33/14/1004693314.db2.gz ZXISDTNPKOICBA-RBBKRZOGSA-N 2 1 404.599 3.592 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1F ZINC000510561577 1004705417 /nfs/dbraw/zinc/70/54/17/1004705417.db2.gz NROSYSOVAFMHFZ-APWZRJJASA-N 2 1 413.541 3.772 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1F ZINC000510561577 1004705422 /nfs/dbraw/zinc/70/54/22/1004705422.db2.gz NROSYSOVAFMHFZ-APWZRJJASA-N 2 1 413.541 3.772 20 0 HHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC(c4ccc(O)cc4)CC3)CC2)cc1 ZINC000501781905 1004722315 /nfs/dbraw/zinc/72/23/15/1004722315.db2.gz VNNYCLJFBRRQNR-UHFFFAOYSA-N 2 1 421.585 3.615 20 0 HHADMP COCC[N@H+](C)CCCC1CC[NH+]([C@@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000501784811 1004726783 /nfs/dbraw/zinc/72/67/83/1004726783.db2.gz IWKNOPZEGHCUJW-OAQYLSRUSA-N 2 1 407.986 3.516 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000501784811 1004726790 /nfs/dbraw/zinc/72/67/90/1004726790.db2.gz IWKNOPZEGHCUJW-OAQYLSRUSA-N 2 1 407.986 3.516 20 0 HHADMP O[C@@]1(C[NH2+][C@H]2CCc3ccc(Br)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000510693490 1004802016 /nfs/dbraw/zinc/80/20/16/1004802016.db2.gz AZTFIWGYANLMGN-LEWJYISDSA-N 2 1 401.348 3.663 20 0 HHADMP O[C@@]1(C[NH2+][C@H]2CCc3ccc(Br)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000510693490 1004802024 /nfs/dbraw/zinc/80/20/24/1004802024.db2.gz AZTFIWGYANLMGN-LEWJYISDSA-N 2 1 401.348 3.663 20 0 HHADMP CC[N@H+](Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1)C1CC1 ZINC000510819243 1004872878 /nfs/dbraw/zinc/87/28/78/1004872878.db2.gz BJLPXBZYSVKJNZ-NRFANRHFSA-N 2 1 420.601 3.611 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1)C1CC1 ZINC000510819243 1004872881 /nfs/dbraw/zinc/87/28/81/1004872881.db2.gz BJLPXBZYSVKJNZ-NRFANRHFSA-N 2 1 420.601 3.611 20 0 HHADMP CC(C)COc1cccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000510887823 1004912310 /nfs/dbraw/zinc/91/23/10/1004912310.db2.gz MXZZWPBNJDYZTD-QHCPKHFHSA-N 2 1 409.574 3.709 20 0 HHADMP C[N@H+]1CC[C@@H](CNC(=O)N2CCCC23CC[NH+](C)CC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000510937656 1004943537 /nfs/dbraw/zinc/94/35/37/1004943537.db2.gz PFBBKXYFSGJOKD-PXNSSMCTSA-N 2 1 422.976 3.742 20 0 HHADMP C[N@H+]1CC[C@@H](CNC(=O)N2CCCC23CC[NH+](C)CC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000510937647 1004944023 /nfs/dbraw/zinc/94/40/23/1004944023.db2.gz PFBBKXYFSGJOKD-FXAWDEMLSA-N 2 1 422.976 3.742 20 0 HHADMP C[C@@H]1C[N@H+](CCCNC(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)C[C@H](C)O1 ZINC000510957565 1004953815 /nfs/dbraw/zinc/95/38/15/1004953815.db2.gz HKLZOFAVBKPPIU-OYRHEFFESA-N 2 1 409.574 3.548 20 0 HHADMP C[C@@H]1C[NH+](CCCNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C[C@H](C)O1 ZINC000510957565 1004953816 /nfs/dbraw/zinc/95/38/16/1004953816.db2.gz HKLZOFAVBKPPIU-OYRHEFFESA-N 2 1 409.574 3.548 20 0 HHADMP C[C@@H]1C[NH+](CCCNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C[C@H](C)O1 ZINC000510957565 1004953819 /nfs/dbraw/zinc/95/38/19/1004953819.db2.gz HKLZOFAVBKPPIU-OYRHEFFESA-N 2 1 409.574 3.548 20 0 HHADMP O=C(COc1ccccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)N1CCCC1 ZINC000513430714 1004962783 /nfs/dbraw/zinc/96/27/83/1004962783.db2.gz YZZGIILRCOLLMN-QFIPXVFZSA-N 2 1 413.606 3.776 20 0 HHADMP O=C(COc1ccccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)N1CCCC1 ZINC000513430714 1004962787 /nfs/dbraw/zinc/96/27/87/1004962787.db2.gz YZZGIILRCOLLMN-QFIPXVFZSA-N 2 1 413.606 3.776 20 0 HHADMP CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000510976723 1004962782 /nfs/dbraw/zinc/96/27/82/1004962782.db2.gz VIQOIXFWFZKLRE-PZJWPPBQSA-N 2 1 401.595 3.790 20 0 HHADMP O=C(Nc1ccccc1)N1CC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000510995742 1004971734 /nfs/dbraw/zinc/97/17/34/1004971734.db2.gz JZIJKVOZQDUSDY-QHCPKHFHSA-N 2 1 410.537 3.729 20 0 HHADMP O=C(NC[C@H]1CCC[NH+]1Cc1ccccc1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000513559746 1005022876 /nfs/dbraw/zinc/02/28/76/1005022876.db2.gz IMNHAVPSTIKJAJ-LADGPHEKSA-N 2 1 409.549 3.819 20 0 HHADMP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000513559746 1005022882 /nfs/dbraw/zinc/02/28/82/1005022882.db2.gz IMNHAVPSTIKJAJ-LADGPHEKSA-N 2 1 409.549 3.819 20 0 HHADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000513559746 1005022888 /nfs/dbraw/zinc/02/28/88/1005022888.db2.gz IMNHAVPSTIKJAJ-LADGPHEKSA-N 2 1 409.549 3.819 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000511144312 1005043312 /nfs/dbraw/zinc/04/33/12/1005043312.db2.gz RPMQTHKQGPWDMS-TYBLODHISA-N 2 1 421.585 3.577 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000511144312 1005043316 /nfs/dbraw/zinc/04/33/16/1005043316.db2.gz RPMQTHKQGPWDMS-TYBLODHISA-N 2 1 421.585 3.577 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000511144312 1005043320 /nfs/dbraw/zinc/04/33/20/1005043320.db2.gz RPMQTHKQGPWDMS-TYBLODHISA-N 2 1 421.585 3.577 20 0 HHADMP C[NH+](C)CCc1ccc(CNC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000502419834 1005067876 /nfs/dbraw/zinc/06/78/76/1005067876.db2.gz SRHWOUIFIGIPHF-AREMUKBSSA-N 2 1 420.601 3.598 20 0 HHADMP Cc1c(F)cccc1-c1ccc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)o1 ZINC000513707489 1005090720 /nfs/dbraw/zinc/09/07/20/1005090720.db2.gz DJUSBLTUWASDEU-UHFFFAOYSA-N 2 1 413.537 3.770 20 0 HHADMP C[C@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511249121 1005090884 /nfs/dbraw/zinc/09/08/84/1005090884.db2.gz KNRZMXPECHRKLU-XUVXKRRUSA-N 2 1 418.651 3.912 20 0 HHADMP C[C@H](NC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511249121 1005090890 /nfs/dbraw/zinc/09/08/90/1005090890.db2.gz KNRZMXPECHRKLU-XUVXKRRUSA-N 2 1 418.651 3.912 20 0 HHADMP C[C@H](NC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511249121 1005090895 /nfs/dbraw/zinc/09/08/95/1005090895.db2.gz KNRZMXPECHRKLU-XUVXKRRUSA-N 2 1 418.651 3.912 20 0 HHADMP C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511264133 1005096805 /nfs/dbraw/zinc/09/68/05/1005096805.db2.gz DGWQXVXYWZYJJI-FDFHNCONSA-N 2 1 404.643 3.937 20 0 HHADMP C[C@H](NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511268191 1005099551 /nfs/dbraw/zinc/09/95/51/1005099551.db2.gz VOWKIQITSHKIMH-FPOVZHCZSA-N 2 1 413.610 3.592 20 0 HHADMP C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511410255 1005164360 /nfs/dbraw/zinc/16/43/60/1005164360.db2.gz NTDRUGZQURRYRR-ACIOBRDBSA-N 2 1 412.622 3.503 20 0 HHADMP C[C@H](NC(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511410255 1005164362 /nfs/dbraw/zinc/16/43/62/1005164362.db2.gz NTDRUGZQURRYRR-ACIOBRDBSA-N 2 1 412.622 3.503 20 0 HHADMP C[C@H](NC(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511410255 1005164366 /nfs/dbraw/zinc/16/43/66/1005164366.db2.gz NTDRUGZQURRYRR-ACIOBRDBSA-N 2 1 412.622 3.503 20 0 HHADMP C[C@H](NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511410258 1005164391 /nfs/dbraw/zinc/16/43/91/1005164391.db2.gz NTDRUGZQURRYRR-MDNUFGMLSA-N 2 1 412.622 3.503 20 0 HHADMP C[C@H](NC(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511410258 1005164395 /nfs/dbraw/zinc/16/43/95/1005164395.db2.gz NTDRUGZQURRYRR-MDNUFGMLSA-N 2 1 412.622 3.503 20 0 HHADMP C[C@H](NC(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511410258 1005164396 /nfs/dbraw/zinc/16/43/96/1005164396.db2.gz NTDRUGZQURRYRR-MDNUFGMLSA-N 2 1 412.622 3.503 20 0 HHADMP C[C@H](CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000502788680 1005217856 /nfs/dbraw/zinc/21/78/56/1005217856.db2.gz IIHCOWNWKYXQBU-RDABAPPSSA-N 2 1 400.611 3.849 20 0 HHADMP CCC1(CNC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000514021426 1005231365 /nfs/dbraw/zinc/23/13/65/1005231365.db2.gz ZLJZSBYAVCKNAP-QHCPKHFHSA-N 2 1 414.638 3.956 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+](C)CC[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000502846388 1005242274 /nfs/dbraw/zinc/24/22/74/1005242274.db2.gz DLLVJGFCBLTAFY-APWZRJJASA-N 2 1 414.516 3.824 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1 ZINC000502847630 1005242767 /nfs/dbraw/zinc/24/27/67/1005242767.db2.gz UAKCRTWUFMQCRQ-FQEVSTJZSA-N 2 1 400.611 3.777 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000502847630 1005242771 /nfs/dbraw/zinc/24/27/71/1005242771.db2.gz UAKCRTWUFMQCRQ-FQEVSTJZSA-N 2 1 400.611 3.777 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000502847630 1005242775 /nfs/dbraw/zinc/24/27/75/1005242775.db2.gz UAKCRTWUFMQCRQ-FQEVSTJZSA-N 2 1 400.611 3.777 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000511716133 1005289780 /nfs/dbraw/zinc/28/97/80/1005289780.db2.gz OSOHPZREVPZDDS-XQBPLPMBSA-N 2 1 401.620 3.713 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000502952451 1005290296 /nfs/dbraw/zinc/29/02/96/1005290296.db2.gz SRQPBJIXPCCVHF-OAQYLSRUSA-N 2 1 400.611 3.805 20 0 HHADMP CCc1ccc([C@@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)[NH+](C)C)cc1 ZINC000514166882 1005296187 /nfs/dbraw/zinc/29/61/87/1005296187.db2.gz HXHFOVACBMFOPO-HSZRJFAPSA-N 2 1 423.536 3.984 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)cc1 ZINC000514171454 1005297958 /nfs/dbraw/zinc/29/79/58/1005297958.db2.gz BQHKLKAFMBIXBR-ZEQRLZLVSA-N 2 1 406.574 3.706 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)cc1)C1CC1 ZINC000511766426 1005314892 /nfs/dbraw/zinc/31/48/92/1005314892.db2.gz FRVSUBARORAVIJ-UHFFFAOYSA-N 2 1 408.546 3.813 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000514312050 1005335574 /nfs/dbraw/zinc/33/55/74/1005335574.db2.gz VWPQYBZKVQSXOM-JWQCQUIFSA-N 2 1 420.601 3.807 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000514312050 1005335577 /nfs/dbraw/zinc/33/55/77/1005335577.db2.gz VWPQYBZKVQSXOM-JWQCQUIFSA-N 2 1 420.601 3.807 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000514312050 1005335586 /nfs/dbraw/zinc/33/55/86/1005335586.db2.gz VWPQYBZKVQSXOM-JWQCQUIFSA-N 2 1 420.601 3.807 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000503109689 1005349528 /nfs/dbraw/zinc/34/95/28/1005349528.db2.gz VMYWOWLKOHJZCO-HSZRJFAPSA-N 2 1 424.589 3.604 20 0 HHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCCC[N@H+]3CCc4ccccc4C3)C2)CC1 ZINC000503398122 1005407946 /nfs/dbraw/zinc/40/79/46/1005407946.db2.gz ZTGAAVJUDHRIIA-JOCHJYFZSA-N 2 1 412.622 3.588 20 0 HHADMP CC(C)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000503462721 1005427687 /nfs/dbraw/zinc/42/76/87/1005427687.db2.gz BHZLPXYWFXNTPC-DNQXCXABSA-N 2 1 414.638 3.751 20 0 HHADMP CCc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)[NH+](C)C)cc1 ZINC000503496491 1005437244 /nfs/dbraw/zinc/43/72/44/1005437244.db2.gz AELGUIYGNZLOBB-NOZRDPDXSA-N 2 1 422.617 3.716 20 0 HHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[NH+](CCc2cccs2)CC1)c1ccccc1 ZINC000503739524 1005488021 /nfs/dbraw/zinc/48/80/21/1005488021.db2.gz OXLMLVNNERDWII-LJQANCHMSA-N 2 1 414.619 3.747 20 0 HHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br ZINC000534058117 1006030081 /nfs/dbraw/zinc/03/00/81/1006030081.db2.gz PWJJPQHDFPLCCK-RDTXWAMCSA-N 2 1 401.776 3.916 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)c1)C1CCOCC1 ZINC000531251082 1006070841 /nfs/dbraw/zinc/07/08/41/1006070841.db2.gz IKNPHZXOOZVMBL-UHFFFAOYSA-N 2 1 420.557 3.856 20 0 HHADMP C[N@H+](CCOc1cccc(C[NH2+]Cc2c[nH]c(-c3ccccc3)n2)c1)C1CCOCC1 ZINC000531251082 1006070875 /nfs/dbraw/zinc/07/08/75/1006070875.db2.gz IKNPHZXOOZVMBL-UHFFFAOYSA-N 2 1 420.557 3.856 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2c[nH]c(-c3ccccc3)n2)c1)C1CCOCC1 ZINC000531251082 1006070889 /nfs/dbraw/zinc/07/08/89/1006070889.db2.gz IKNPHZXOOZVMBL-UHFFFAOYSA-N 2 1 420.557 3.856 20 0 HHADMP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000531296835 1006101298 /nfs/dbraw/zinc/10/12/98/1006101298.db2.gz ZJAQWJJVUANZQQ-RUZDIDTESA-N 2 1 405.586 3.879 20 0 HHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000531296835 1006101303 /nfs/dbraw/zinc/10/13/03/1006101303.db2.gz ZJAQWJJVUANZQQ-RUZDIDTESA-N 2 1 405.586 3.879 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)CC1 ZINC000531443480 1006199977 /nfs/dbraw/zinc/19/99/77/1006199977.db2.gz OZIFNTZIZKIWFD-PMACEKPBSA-N 2 1 422.573 3.854 20 0 HHADMP C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534206987 1006200182 /nfs/dbraw/zinc/20/01/82/1006200182.db2.gz KIBOQRAZRJUXDD-WVWVSWFPSA-N 2 1 424.992 3.892 20 0 HHADMP Nc1ccc(F)c(NC(=O)CC[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000534231381 1006231733 /nfs/dbraw/zinc/23/17/33/1006231733.db2.gz LIZFYHSHNZBWBK-UHFFFAOYSA-N 2 1 410.537 3.725 20 0 HHADMP O=C(C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000534232133 1006232729 /nfs/dbraw/zinc/23/27/29/1006232729.db2.gz FZZQTIKSEXZOBJ-FQEVSTJZSA-N 2 1 423.523 3.775 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534249342 1006257195 /nfs/dbraw/zinc/25/71/95/1006257195.db2.gz CYKDAIBWZORHQB-NQIIRXRSSA-N 2 1 424.992 3.893 20 0 HHADMP C[N@H+]1CC[C@@H](CNC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534251446 1006259587 /nfs/dbraw/zinc/25/95/87/1006259587.db2.gz OXDIIVIGFVYYBF-JWWGGVBKSA-N 2 1 422.976 3.598 20 0 HHADMP C[NH+]1CC[C@@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534251446 1006259594 /nfs/dbraw/zinc/25/95/94/1006259594.db2.gz OXDIIVIGFVYYBF-JWWGGVBKSA-N 2 1 422.976 3.598 20 0 HHADMP C[NH+]1CC[C@@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534251446 1006259604 /nfs/dbraw/zinc/25/96/04/1006259604.db2.gz OXDIIVIGFVYYBF-JWWGGVBKSA-N 2 1 422.976 3.598 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000534254290 1006262659 /nfs/dbraw/zinc/26/26/59/1006262659.db2.gz QMXFPRJKGKRLOO-UHFFFAOYSA-N 2 1 420.601 3.946 20 0 HHADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000531677281 1006348803 /nfs/dbraw/zinc/34/88/03/1006348803.db2.gz FJSJWWNYBOPTEK-XMSQKQJNSA-N 2 1 409.603 3.882 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CCC(C(=O)N3CCSCC3)CC2)cc1 ZINC000531706681 1006368879 /nfs/dbraw/zinc/36/88/79/1006368879.db2.gz ULFJDSIRTUTGJP-RPCJCACASA-N 2 1 412.603 3.966 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000531725986 1006381664 /nfs/dbraw/zinc/38/16/64/1006381664.db2.gz WJTWVXPNNLOXAV-CNNODRBYSA-N 2 1 415.603 3.641 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000531725986 1006381676 /nfs/dbraw/zinc/38/16/76/1006381676.db2.gz WJTWVXPNNLOXAV-CNNODRBYSA-N 2 1 415.603 3.641 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000515518337 1006510333 /nfs/dbraw/zinc/51/03/33/1006510333.db2.gz AKXIUYMTGDIJCY-MSOLQXFVSA-N 2 1 409.530 3.764 20 0 HHADMP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3sccc3Br)cn2)CC1 ZINC000531937793 1006531708 /nfs/dbraw/zinc/53/17/08/1006531708.db2.gz LIAOBIYIBHGCMV-AWEZNQCLSA-N 2 1 409.397 3.898 20 0 HHADMP COc1ccc([C@H](C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)N2CCOCC2)cc1 ZINC000531947734 1006537976 /nfs/dbraw/zinc/53/79/76/1006537976.db2.gz KYYZKNBIKSAVMA-OPHFCASCSA-N 2 1 415.622 3.701 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000515576298 1006545130 /nfs/dbraw/zinc/54/51/30/1006545130.db2.gz OUPJTXNZGBAFMX-HOTGVXAUSA-N 2 1 405.329 3.882 20 0 HHADMP Cc1c([C@H](C)N[C@H](CN2CCN(C)CC2)c2ccccc2)nnn1-c1ccc(C)cc1 ZINC000531965629 1006550320 /nfs/dbraw/zinc/55/03/20/1006550320.db2.gz IULGAGIYLCRUTO-GBXCKJPGSA-N 2 1 418.589 3.523 20 0 HHADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531976240 1006555220 /nfs/dbraw/zinc/55/52/20/1006555220.db2.gz AJXJSYFRDZFGSC-CPJSRVTESA-N 2 1 409.574 3.754 20 0 HHADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531976240 1006555229 /nfs/dbraw/zinc/55/52/29/1006555229.db2.gz AJXJSYFRDZFGSC-CPJSRVTESA-N 2 1 409.574 3.754 20 0 HHADMP CC[C@H](C)n1nc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C ZINC000538354737 1006622976 /nfs/dbraw/zinc/62/29/76/1006622976.db2.gz WGUOTLVXQAJWJZ-SFHVURJKSA-N 2 1 418.630 3.823 20 0 HHADMP C[C@@H]1C[NH+](CC2CC[NH+](CC(=O)N[C@H](c3cccs3)C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000532155696 1006679564 /nfs/dbraw/zinc/67/95/64/1006679564.db2.gz LQJOAGYNAJSJEF-JBYIUTFZSA-N 2 1 421.651 3.773 20 0 HHADMP CCc1ccc([C@H](CNC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)[NH+](C)C)cc1 ZINC000515799968 1006680285 /nfs/dbraw/zinc/68/02/85/1006680285.db2.gz IMXFXPBVLRUTAP-DEOSSOPVSA-N 2 1 424.589 3.548 20 0 HHADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc2c(c1)OCCCO2 ZINC000532188486 1006707406 /nfs/dbraw/zinc/70/74/06/1006707406.db2.gz FJYKOQUNAXLJQT-IEBWSBKVSA-N 2 1 401.576 3.549 20 0 HHADMP C[C@@H](CCc1cccc(F)c1)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000532193966 1006711570 /nfs/dbraw/zinc/71/15/70/1006711570.db2.gz NVLRTOXDRSCRFF-IBGZPJMESA-N 2 1 413.537 3.597 20 0 HHADMP CCOc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc(Br)c1OC(F)F ZINC000538445233 1006711690 /nfs/dbraw/zinc/71/16/90/1006711690.db2.gz AOKJWDCKAHKAJQ-UHFFFAOYSA-N 2 1 405.283 3.801 20 0 HHADMP C[C@@H]1CN([C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)c2c(F)cccc2Cl)CCO1 ZINC000532202235 1006718037 /nfs/dbraw/zinc/71/80/37/1006718037.db2.gz NFIOUTMXOQLRTG-IERDGZPVSA-N 2 1 409.977 3.705 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)cc1 ZINC000532208921 1006723009 /nfs/dbraw/zinc/72/30/09/1006723009.db2.gz DLUYYRUDULILRN-GOSISDBHSA-N 2 1 404.514 3.504 20 0 HHADMP C[C@@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000538553008 1006816288 /nfs/dbraw/zinc/81/62/88/1006816288.db2.gz YJZUMQMSVZXSSO-RLWLMLJZSA-N 2 1 423.601 3.765 20 0 HHADMP C[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000534827193 1006838671 /nfs/dbraw/zinc/83/86/71/1006838671.db2.gz FKWPRPCNLADGPQ-RTWAWAEBSA-N 2 1 400.954 3.646 20 0 HHADMP C[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000534827193 1006838681 /nfs/dbraw/zinc/83/86/81/1006838681.db2.gz FKWPRPCNLADGPQ-RTWAWAEBSA-N 2 1 400.954 3.646 20 0 HHADMP C[N@@H+]1CC[C@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534830964 1006843861 /nfs/dbraw/zinc/84/38/61/1006843861.db2.gz CKJYSHCPTCALKQ-SFTDATJTSA-N 2 1 404.986 3.745 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534830964 1006843870 /nfs/dbraw/zinc/84/38/70/1006843870.db2.gz CKJYSHCPTCALKQ-SFTDATJTSA-N 2 1 404.986 3.745 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000538590681 1006858005 /nfs/dbraw/zinc/85/80/05/1006858005.db2.gz RVYHPXMLOFMHDP-HYBUGGRVSA-N 2 1 407.606 3.935 20 0 HHADMP CC[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000532442141 1006885006 /nfs/dbraw/zinc/88/50/06/1006885006.db2.gz SZJCBRODWWWHOW-OALUTQOASA-N 2 1 401.576 3.549 20 0 HHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c3ccc4ccccc4c3)C2)CC1 ZINC000532568025 1006999650 /nfs/dbraw/zinc/99/96/50/1006999650.db2.gz YARNQINEERPPJJ-BKSPAHHJSA-N 2 1 422.617 3.506 20 0 HHADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)C(=O)N[C@@H](C)c3ccc4ccccc4c3)C2)CC1 ZINC000532568025 1006999662 /nfs/dbraw/zinc/99/96/62/1006999662.db2.gz YARNQINEERPPJJ-BKSPAHHJSA-N 2 1 422.617 3.506 20 0 HHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000538749523 1007033779 /nfs/dbraw/zinc/03/37/79/1007033779.db2.gz RGQQKOKCQCSYLN-SFHVURJKSA-N 2 1 421.383 3.772 20 0 HHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000538749523 1007033795 /nfs/dbraw/zinc/03/37/95/1007033795.db2.gz RGQQKOKCQCSYLN-SFHVURJKSA-N 2 1 421.383 3.772 20 0 HHADMP C[NH+]1CCN([C@H](C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)c2cccs2)CC1 ZINC000516373181 1007048396 /nfs/dbraw/zinc/04/83/96/1007048396.db2.gz TUAOCNPORGCAFW-YUXAGFNASA-N 2 1 417.594 3.933 20 0 HHADMP CCOc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)ccc1OCC(C)C ZINC000538764018 1007048812 /nfs/dbraw/zinc/04/88/12/1007048812.db2.gz IMQRTZWJTWWCSN-JOCHJYFZSA-N 2 1 403.611 3.720 20 0 HHADMP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000532627442 1007048852 /nfs/dbraw/zinc/04/88/52/1007048852.db2.gz RTAOQPMGTOYTRM-PMACEKPBSA-N 2 1 421.379 3.582 20 0 HHADMP Cc1nc(C2([NH2+]CCCCC[NH2+]C3(c4noc(C)n4)CCCC3)CCCC2)no1 ZINC000532663205 1007080745 /nfs/dbraw/zinc/08/07/45/1007080745.db2.gz PVILMYKCFQUTPA-UHFFFAOYSA-N 2 1 402.543 3.658 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)c2)C1 ZINC000535089634 1007103016 /nfs/dbraw/zinc/10/30/16/1007103016.db2.gz STPMTWGKKNIADQ-CAOCKLPOSA-N 2 1 421.585 3.641 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)c2)C1 ZINC000535089652 1007103298 /nfs/dbraw/zinc/10/32/98/1007103298.db2.gz STPMTWGKKNIADQ-QLBJFCOMSA-N 2 1 421.585 3.641 20 0 HHADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000538854337 1007129240 /nfs/dbraw/zinc/12/92/40/1007129240.db2.gz BOEWBHGEKCDCGR-UHFFFAOYSA-N 2 1 423.605 3.852 20 0 HHADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000516601866 1007183973 /nfs/dbraw/zinc/18/39/73/1007183973.db2.gz UDFRJPZPQYLZST-FQEVSTJZSA-N 2 1 400.611 3.982 20 0 HHADMP CCC[NH+]1CC[C@@H](CNC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000516601866 1007183980 /nfs/dbraw/zinc/18/39/80/1007183980.db2.gz UDFRJPZPQYLZST-FQEVSTJZSA-N 2 1 400.611 3.982 20 0 HHADMP CCC[NH+]1CC[C@@H](CNC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000516601866 1007183987 /nfs/dbraw/zinc/18/39/87/1007183987.db2.gz UDFRJPZPQYLZST-FQEVSTJZSA-N 2 1 400.611 3.982 20 0 HHADMP C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538944952 1007229126 /nfs/dbraw/zinc/22/91/26/1007229126.db2.gz CJDFPJDXDGYVJF-HXUWFJFHSA-N 2 1 406.574 3.988 20 0 HHADMP Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cnn1-c1cccc(Cl)c1 ZINC000539063393 1007356900 /nfs/dbraw/zinc/35/69/00/1007356900.db2.gz CTZFFBGAOVJSNF-ARBPTSGCSA-N 2 1 402.970 3.863 20 0 HHADMP C[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC000535338819 1007390382 /nfs/dbraw/zinc/39/03/82/1007390382.db2.gz DKRNSFOGQFAEBU-DNQXCXABSA-N 2 1 406.574 3.917 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(-c4ccccn4)c3)c2)C1 ZINC000533039288 1007399448 /nfs/dbraw/zinc/39/94/48/1007399448.db2.gz FHWCCVJDJFSWTB-XMMPIXPASA-N 2 1 414.553 3.736 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000535366297 1007424041 /nfs/dbraw/zinc/42/40/41/1007424041.db2.gz KBUOICXHIFAPEO-QLBRKBSLSA-N 2 1 406.574 3.642 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000535366297 1007424049 /nfs/dbraw/zinc/42/40/49/1007424049.db2.gz KBUOICXHIFAPEO-QLBRKBSLSA-N 2 1 406.574 3.642 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000535366297 1007424052 /nfs/dbraw/zinc/42/40/52/1007424052.db2.gz KBUOICXHIFAPEO-QLBRKBSLSA-N 2 1 406.574 3.642 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2ccc(C(=O)OC)o2)CC1 ZINC000539312052 1007611030 /nfs/dbraw/zinc/61/10/30/1007611030.db2.gz GQNCSJSLKXNASK-HOTGVXAUSA-N 2 1 403.498 3.759 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535655642 1007668605 /nfs/dbraw/zinc/66/86/05/1007668605.db2.gz OWAQFUHQZFXUHM-NQIIRXRSSA-N 2 1 424.992 3.893 20 0 HHADMP Cc1ccc(CNC(=O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1F ZINC000535679363 1007705959 /nfs/dbraw/zinc/70/59/59/1007705959.db2.gz HIKBHWSQXQBPQB-UHFFFAOYSA-N 2 1 409.549 3.738 20 0 HHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)c2cccs2)CC1 ZINC000517524951 1007744520 /nfs/dbraw/zinc/74/45/20/1007744520.db2.gz CDGUNTBOXIYYSY-LJQANCHMSA-N 2 1 415.994 3.870 20 0 HHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](c3ncccc3C)C(C)C)CC2)cc1 ZINC000539455507 1007766643 /nfs/dbraw/zinc/76/66/43/1007766643.db2.gz FYZBTEZTAJEHAE-XMMPIXPASA-N 2 1 408.590 3.720 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N(CC[NH+](C)C)Cc3cccc(C)c3)CC2)cs1 ZINC000517565974 1007773311 /nfs/dbraw/zinc/77/33/11/1007773311.db2.gz HMMBUIWXGPFLTI-UHFFFAOYSA-N 2 1 414.619 3.562 20 0 HHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000517566875 1007774907 /nfs/dbraw/zinc/77/49/07/1007774907.db2.gz USSMMQSYVPARDF-ZCNNSNEGSA-N 2 1 411.594 3.805 20 0 HHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000517566875 1007774915 /nfs/dbraw/zinc/77/49/15/1007774915.db2.gz USSMMQSYVPARDF-ZCNNSNEGSA-N 2 1 411.594 3.805 20 0 HHADMP C[NH+](C)CCOc1cccc(NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000517574809 1007779070 /nfs/dbraw/zinc/77/90/70/1007779070.db2.gz WLJHMTVDVDBYAK-OAQYLSRUSA-N 2 1 402.583 3.793 20 0 HHADMP C[C@H]([NH2+][C@H](c1ccccc1)C1CCC1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000533505669 1007819880 /nfs/dbraw/zinc/81/98/80/1007819880.db2.gz UPOGVGODNOCBLL-NBGIEHNGSA-N 2 1 421.585 3.655 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000517653464 1007866027 /nfs/dbraw/zinc/86/60/27/1007866027.db2.gz UYLAGFOJBAEKGY-UPVQGACJSA-N 2 1 420.601 3.541 20 0 HHADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000539576612 1007892730 /nfs/dbraw/zinc/89/27/30/1007892730.db2.gz PLFDCUCPLRVQCQ-UXHICEINSA-N 2 1 411.512 3.874 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H](Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)[C@@H](C)C1 ZINC000539627182 1007945038 /nfs/dbraw/zinc/94/50/38/1007945038.db2.gz MUYGDGFKVOJYTE-SQJMNOBHSA-N 2 1 414.638 3.768 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H](Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)[C@H](C)C1 ZINC000539646110 1007963340 /nfs/dbraw/zinc/96/33/40/1007963340.db2.gz XGIXLCAWFGDVKY-ZJSXRUAMSA-N 2 1 402.627 3.766 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000535942448 1007975156 /nfs/dbraw/zinc/97/51/56/1007975156.db2.gz HYNGBNBQUMHIRC-YKSBVNFPSA-N 2 1 412.622 3.792 20 0 HHADMP CCOCCC[N@H+]1CC[C@H](Nc2cccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)c2)[C@@H](C)C1 ZINC000539690435 1008009608 /nfs/dbraw/zinc/00/96/08/1008009608.db2.gz QEQDGUGQCYXXQU-JCUDRXCFSA-N 2 1 403.611 3.845 20 0 HHADMP CCOCCC[NH+]1CC[C@H](Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)[C@@H](C)C1 ZINC000539690435 1008009613 /nfs/dbraw/zinc/00/96/13/1008009613.db2.gz QEQDGUGQCYXXQU-JCUDRXCFSA-N 2 1 403.611 3.845 20 0 HHADMP CCOCCC[NH+]1CC[C@H](Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)[C@@H](C)C1 ZINC000539690435 1008009623 /nfs/dbraw/zinc/00/96/23/1008009623.db2.gz QEQDGUGQCYXXQU-JCUDRXCFSA-N 2 1 403.611 3.845 20 0 HHADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCC1(c2ccccc2)CCCCC1 ZINC000517890157 1008033535 /nfs/dbraw/zinc/03/35/35/1008033535.db2.gz WCIAKJMDOPSSQY-UHFFFAOYSA-N 2 1 400.611 3.556 20 0 HHADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCC1(c2ccccc2)CCCCC1 ZINC000517890157 1008033575 /nfs/dbraw/zinc/03/35/75/1008033575.db2.gz WCIAKJMDOPSSQY-UHFFFAOYSA-N 2 1 400.611 3.556 20 0 HHADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000517933989 1008062989 /nfs/dbraw/zinc/06/29/89/1008062989.db2.gz NIBYEMXNKJUIDB-IBGZPJMESA-N 2 1 404.352 3.607 20 0 HHADMP CC(C)Oc1cccc(C[N@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000533763793 1008089402 /nfs/dbraw/zinc/08/94/02/1008089402.db2.gz LZNQKWQVUBWMCC-UHFFFAOYSA-N 2 1 409.574 3.818 20 0 HHADMP CC(C)Oc1cccc(C[N@@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000533763793 1008089407 /nfs/dbraw/zinc/08/94/07/1008089407.db2.gz LZNQKWQVUBWMCC-UHFFFAOYSA-N 2 1 409.574 3.818 20 0 HHADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000518012234 1008102350 /nfs/dbraw/zinc/10/23/50/1008102350.db2.gz RUUWLWATQVEHDW-HXUWFJFHSA-N 2 1 404.986 3.621 20 0 HHADMP COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1OCc1ccccc1 ZINC000539823867 1008117946 /nfs/dbraw/zinc/11/79/46/1008117946.db2.gz WBXGSCQZIJEXML-QPPBQGQZSA-N 2 1 423.601 3.732 20 0 HHADMP COc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1OCc1ccccc1 ZINC000539823867 1008117951 /nfs/dbraw/zinc/11/79/51/1008117951.db2.gz WBXGSCQZIJEXML-QPPBQGQZSA-N 2 1 423.601 3.732 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000536095644 1008118125 /nfs/dbraw/zinc/11/81/25/1008118125.db2.gz MWWPXYXJIVUHCX-BJKOFHAPSA-N 2 1 406.574 3.704 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc2ccccc2nc1N1CCCCC1 ZINC000539896938 1008170499 /nfs/dbraw/zinc/17/04/99/1008170499.db2.gz SPLAGRSNCMYMIC-JRFVFWCSSA-N 2 1 408.590 3.909 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc2ccccc2nc1N1CCCCC1 ZINC000539896938 1008170502 /nfs/dbraw/zinc/17/05/02/1008170502.db2.gz SPLAGRSNCMYMIC-JRFVFWCSSA-N 2 1 408.590 3.909 20 0 HHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000539896971 1008170682 /nfs/dbraw/zinc/17/06/82/1008170682.db2.gz SXLMJMSTKDGRIT-UEVCKROQSA-N 2 1 416.997 3.885 20 0 HHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000539896971 1008170687 /nfs/dbraw/zinc/17/06/87/1008170687.db2.gz SXLMJMSTKDGRIT-UEVCKROQSA-N 2 1 416.997 3.885 20 0 HHADMP CC[N@H+](CCC1CCN(C(=O)NCC[NH+]2CCc3sccc3C2)CC1)CC1CC1 ZINC000540006588 1008233607 /nfs/dbraw/zinc/23/36/07/1008233607.db2.gz LPMXHEKAXNKUPG-UHFFFAOYSA-N 2 1 418.651 3.650 20 0 HHADMP CC[N@@H+](CCC1CCN(C(=O)NCC[NH+]2CCc3sccc3C2)CC1)CC1CC1 ZINC000540006588 1008233611 /nfs/dbraw/zinc/23/36/11/1008233611.db2.gz LPMXHEKAXNKUPG-UHFFFAOYSA-N 2 1 418.651 3.650 20 0 HHADMP CC[NH+](CCC1CCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1)CC1CC1 ZINC000540006588 1008233613 /nfs/dbraw/zinc/23/36/13/1008233613.db2.gz LPMXHEKAXNKUPG-UHFFFAOYSA-N 2 1 418.651 3.650 20 0 HHADMP CC[NH+](CCC1CCN(C(=O)NCC[N@H+]2CCc3sccc3C2)CC1)CC1CC1 ZINC000540006588 1008233616 /nfs/dbraw/zinc/23/36/16/1008233616.db2.gz LPMXHEKAXNKUPG-UHFFFAOYSA-N 2 1 418.651 3.650 20 0 HHADMP C[C@@H](CNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000540017378 1008239813 /nfs/dbraw/zinc/23/98/13/1008239813.db2.gz YSLJYQXBZBQXSK-UXHICEINSA-N 2 1 401.599 3.592 20 0 HHADMP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540044429 1008254100 /nfs/dbraw/zinc/25/41/00/1008254100.db2.gz CNTCSWOUMRUNHB-UHFFFAOYSA-N 2 1 421.010 3.993 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000518402889 1008289912 /nfs/dbraw/zinc/28/99/12/1008289912.db2.gz SDCMFQUBXJBBGR-CEMLEFRQSA-N 2 1 410.562 3.941 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000540160851 1008316834 /nfs/dbraw/zinc/31/68/34/1008316834.db2.gz OXROFDGAQHBERK-CZEIZJIKSA-N 2 1 420.569 3.802 20 0 HHADMP COc1ccc([C@H](CNC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000518459897 1008316789 /nfs/dbraw/zinc/31/67/89/1008316789.db2.gz JRHLZDNAEMGEPQ-UGKGYDQZSA-N 2 1 416.610 3.642 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1F ZINC000518522525 1008336721 /nfs/dbraw/zinc/33/67/21/1008336721.db2.gz CQOKQECGUKZNHE-OAQYLSRUSA-N 2 1 413.472 3.561 20 0 HHADMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000540244872 1008350588 /nfs/dbraw/zinc/35/05/88/1008350588.db2.gz IUHKLTKIEKRFRG-IRXDYDNUSA-N 2 1 400.485 3.796 20 0 HHADMP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000518623356 1008369122 /nfs/dbraw/zinc/36/91/22/1008369122.db2.gz FPFQQNJDEXNDIA-TZIWHRDSSA-N 2 1 415.603 3.548 20 0 HHADMP CC(=O)N1CC[NH+](CCOc2ccc(CC[NH2+][C@@H](c3ccccc3)C3CC3)cc2)CC1 ZINC000540301275 1008372738 /nfs/dbraw/zinc/37/27/38/1008372738.db2.gz GKKKKBJNYNCEQV-SANMLTNESA-N 2 1 421.585 3.513 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cnn(C)c2C(F)(F)F)CC1 ZINC000540408339 1008420330 /nfs/dbraw/zinc/42/03/30/1008420330.db2.gz HHVNDQLFYSYINY-AWEZNQCLSA-N 2 1 413.463 3.571 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000518862945 1008451179 /nfs/dbraw/zinc/45/11/79/1008451179.db2.gz DKSWRFPJBJVCEJ-QGZVFWFLSA-N 2 1 414.516 3.511 20 0 HHADMP c1ccc(C[N@H+]2CCC[C@@H](c3nc(-c4ccc(C[NH+]5CCOCC5)cc4)no3)C2)cc1 ZINC000518875299 1008455849 /nfs/dbraw/zinc/45/58/49/1008455849.db2.gz SQHPLLIILNCIIO-HSZRJFAPSA-N 2 1 418.541 3.948 20 0 HHADMP c1ccc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(C[NH+]5CCOCC5)cc4)no3)C2)cc1 ZINC000518875299 1008455850 /nfs/dbraw/zinc/45/58/50/1008455850.db2.gz SQHPLLIILNCIIO-HSZRJFAPSA-N 2 1 418.541 3.948 20 0 HHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(CC4CCCCC4)[nH]n3)CC2)CC1 ZINC000519013747 1008501490 /nfs/dbraw/zinc/50/14/90/1008501490.db2.gz BPAFGHVMYSQWHN-UHFFFAOYSA-N 2 1 401.599 3.667 20 0 HHADMP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000519077390 1008521312 /nfs/dbraw/zinc/52/13/12/1008521312.db2.gz BXYGQHNDHNJHOH-QGZVFWFLSA-N 2 1 414.516 3.653 20 0 HHADMP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000543065385 1008642403 /nfs/dbraw/zinc/64/24/03/1008642403.db2.gz LLAROCAWANKXBM-QGZVFWFLSA-N 2 1 400.567 3.606 20 0 HHADMP Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000549138008 1008707943 /nfs/dbraw/zinc/70/79/43/1008707943.db2.gz YUIVFJKMZJNYHW-FTJBHMTQSA-N 2 1 417.597 3.954 20 0 HHADMP Cc1cc2ncn(C[C@@H](O)C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)c2cc1C ZINC000549168032 1008741610 /nfs/dbraw/zinc/74/16/10/1008741610.db2.gz ZGJZBMMFJCSMLP-DHLKQENFSA-N 2 1 420.601 3.904 20 0 HHADMP Cc1cc2ncn(C[C@@H](O)C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)c2cc1C ZINC000549168032 1008741615 /nfs/dbraw/zinc/74/16/15/1008741615.db2.gz ZGJZBMMFJCSMLP-DHLKQENFSA-N 2 1 420.601 3.904 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(F)c(SC)c(F)c1 ZINC000543325583 1008908530 /nfs/dbraw/zinc/90/85/30/1008908530.db2.gz YPDSNIKZBLMTGL-HNNXBMFYSA-N 2 1 400.539 3.567 20 0 HHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)Cc2ccc(F)cc2Br)CC1 ZINC000519668024 1008951612 /nfs/dbraw/zinc/95/16/12/1008951612.db2.gz RAVPOEMYIUETAI-MRXNPFEDSA-N 2 1 400.380 3.527 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2C)cc1F ZINC000543405877 1008999678 /nfs/dbraw/zinc/99/96/78/1008999678.db2.gz DUPFRCRLYIPTRT-QHCPKHFHSA-N 2 1 408.521 3.791 20 0 HHADMP c1ccc(C[N@H+]2CCC[C@H](Nc3ccc4[nH]c(CCN5CCOCC5)[nH+]c4c3)C2)cc1 ZINC000543415915 1009008541 /nfs/dbraw/zinc/00/85/41/1009008541.db2.gz UFXGPHRVJFIQEG-QFIPXVFZSA-N 2 1 419.573 3.514 20 0 HHADMP c1ccc(C[N@@H+]2CCC[C@H](Nc3ccc4[nH]c(CCN5CCOCC5)[nH+]c4c3)C2)cc1 ZINC000543415915 1009008557 /nfs/dbraw/zinc/00/85/57/1009008557.db2.gz UFXGPHRVJFIQEG-QFIPXVFZSA-N 2 1 419.573 3.514 20 0 HHADMP C[NH+](C)C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000549453470 1009043811 /nfs/dbraw/zinc/04/38/11/1009043811.db2.gz CKSUFZBWSHCMFO-RTWAWAEBSA-N 2 1 400.954 3.516 20 0 HHADMP CC[C@H]([NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1nc(C)cs1 ZINC000543486035 1009075197 /nfs/dbraw/zinc/07/51/97/1009075197.db2.gz RMIUUDLQVQKOCG-PXNSSMCTSA-N 2 1 400.592 3.662 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc3c(cc2OC)OCO3)CC1 ZINC000546058289 1009081795 /nfs/dbraw/zinc/08/17/95/1009081795.db2.gz NGJRIXWMUJAXDX-MRXNPFEDSA-N 2 1 415.509 3.556 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549522848 1009132579 /nfs/dbraw/zinc/13/25/79/1009132579.db2.gz GIOZJNCIXZOVKF-IGKWTDBASA-N 2 1 407.558 3.629 20 0 HHADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000543639402 1009242689 /nfs/dbraw/zinc/24/26/89/1009242689.db2.gz ITULZIVSARFXLX-UXHICEINSA-N 2 1 400.611 3.790 20 0 HHADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000549688750 1009318325 /nfs/dbraw/zinc/31/83/25/1009318325.db2.gz UBFSFUGLDZDRSF-SLFFLAALSA-N 2 1 407.624 3.528 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)c1cccc(OC)c1 ZINC000520198276 1009336521 /nfs/dbraw/zinc/33/65/21/1009336521.db2.gz QVNDXXVEPFFTQX-NRFANRHFSA-N 2 1 404.599 3.594 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000520270399 1009387195 /nfs/dbraw/zinc/38/71/95/1009387195.db2.gz MAHKZHGNKYISNS-RUZDIDTESA-N 2 1 420.601 3.807 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CC(c2ccccc2)c2ccccc2)CC1 ZINC000520425623 1009545125 /nfs/dbraw/zinc/54/51/25/1009545125.db2.gz MUNFFHDIXBXARP-UHFFFAOYSA-N 2 1 400.526 3.994 20 0 HHADMP COc1cc(Br)ccc1CCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000544072042 1009675904 /nfs/dbraw/zinc/67/59/04/1009675904.db2.gz PSBDUGNPZZDJKW-QWFCFKBJSA-N 2 1 411.384 3.574 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000544093683 1009702733 /nfs/dbraw/zinc/70/27/33/1009702733.db2.gz NWUDLYSCPHGHIC-FQEVSTJZSA-N 2 1 407.480 3.732 20 0 HHADMP C[C@@H]1CN(c2ccccc2C[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CCO1 ZINC000550354033 1009881705 /nfs/dbraw/zinc/88/17/05/1009881705.db2.gz UNPQTDLFMDRRDG-VSKRKVRLSA-N 2 1 423.601 3.811 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccco1 ZINC000520855995 1009909674 /nfs/dbraw/zinc/90/96/74/1009909674.db2.gz DIEJZCOXHARPJD-JQVVWYNYSA-N 2 1 413.562 3.702 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccco1 ZINC000520855995 1009909694 /nfs/dbraw/zinc/90/96/94/1009909694.db2.gz DIEJZCOXHARPJD-JQVVWYNYSA-N 2 1 413.562 3.702 20 0 HHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000520897338 1009951602 /nfs/dbraw/zinc/95/16/02/1009951602.db2.gz ZJXNILVVPSCUCU-FQEVSTJZSA-N 2 1 422.564 3.883 20 0 HHADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000520897338 1009951612 /nfs/dbraw/zinc/95/16/12/1009951612.db2.gz ZJXNILVVPSCUCU-FQEVSTJZSA-N 2 1 422.564 3.883 20 0 HHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000520897338 1009951620 /nfs/dbraw/zinc/95/16/20/1009951620.db2.gz ZJXNILVVPSCUCU-FQEVSTJZSA-N 2 1 422.564 3.883 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000520910154 1009964663 /nfs/dbraw/zinc/96/46/63/1009964663.db2.gz ZRFSMBHIWYKOEV-QHCPKHFHSA-N 2 1 400.611 3.710 20 0 HHADMP CC(C)c1cnc(C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)s1 ZINC000544348212 1009974301 /nfs/dbraw/zinc/97/43/01/1009974301.db2.gz JURVYMKZLSUCDM-UHFFFAOYSA-N 2 1 414.619 3.727 20 0 HHADMP CC(C)c1cnc(C[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000544348212 1009974310 /nfs/dbraw/zinc/97/43/10/1009974310.db2.gz JURVYMKZLSUCDM-UHFFFAOYSA-N 2 1 414.619 3.727 20 0 HHADMP CC[N@H+](CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)C(C)C ZINC000520922581 1009976568 /nfs/dbraw/zinc/97/65/68/1009976568.db2.gz HMFBBZKDBYBALI-UHFFFAOYSA-N 2 1 415.409 3.987 20 0 HHADMP COc1ccc(Oc2ccc(C[N@@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](C)C3)cc2)cc1 ZINC000544351030 1009976529 /nfs/dbraw/zinc/97/65/29/1009976529.db2.gz NIINLZMQEFOKCM-CJFMBICVSA-N 2 1 409.574 3.945 20 0 HHADMP COc1ccc(Oc2ccc(C[N@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](C)C3)cc2)cc1 ZINC000544351030 1009976538 /nfs/dbraw/zinc/97/65/38/1009976538.db2.gz NIINLZMQEFOKCM-CJFMBICVSA-N 2 1 409.574 3.945 20 0 HHADMP CC[N@@H+](CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)C(C)C ZINC000520922581 1009976577 /nfs/dbraw/zinc/97/65/77/1009976577.db2.gz HMFBBZKDBYBALI-UHFFFAOYSA-N 2 1 415.409 3.987 20 0 HHADMP C[N@H+]1CCN(CCC[NH2+]Cc2csc(Br)c2)[C@@H](c2ccccc2)C1 ZINC000520951083 1010001447 /nfs/dbraw/zinc/00/14/47/1010001447.db2.gz ONVYDJDRMVMEKV-GOSISDBHSA-N 2 1 408.409 3.979 20 0 HHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](C)c3cc(C)sc3C)CC2)cc1 ZINC000544401122 1010021652 /nfs/dbraw/zinc/02/16/52/1010021652.db2.gz ZHDNNXVVXQNDMN-SFHVURJKSA-N 2 1 415.603 3.759 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](C)c3cc(C)sc3C)CC2)cc1 ZINC000544401122 1010021664 /nfs/dbraw/zinc/02/16/64/1010021664.db2.gz ZHDNNXVVXQNDMN-SFHVURJKSA-N 2 1 415.603 3.759 20 0 HHADMP C[C@H]([NH2+]CCN1c2cccc3cccc(c23)S1(=O)=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544419735 1010037118 /nfs/dbraw/zinc/03/71/18/1010037118.db2.gz LFDMBIOYPJZDRY-PKOBYXMFSA-N 2 1 413.587 3.591 20 0 HHADMP C[C@H]([NH2+]CCN1c2cccc3cccc(c23)S1(=O)=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544419735 1010037136 /nfs/dbraw/zinc/03/71/36/1010037136.db2.gz LFDMBIOYPJZDRY-PKOBYXMFSA-N 2 1 413.587 3.591 20 0 HHADMP CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000544420414 1010039218 /nfs/dbraw/zinc/03/92/18/1010039218.db2.gz DOHREKQVKVQGQF-HBFSDRIKSA-N 2 1 415.578 3.821 20 0 HHADMP CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000544420414 1010039231 /nfs/dbraw/zinc/03/92/31/1010039231.db2.gz DOHREKQVKVQGQF-HBFSDRIKSA-N 2 1 415.578 3.821 20 0 HHADMP CCc1nc(C[NH+]2CCC(CNC(=O)[C@H](C(C)C)[NH+]3CCCCC3)CC2)cs1 ZINC000521131057 1010155047 /nfs/dbraw/zinc/15/50/47/1010155047.db2.gz DDTCKGYFYRFLKI-NRFANRHFSA-N 2 1 406.640 3.544 20 0 HHADMP C[C@H](c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000521144533 1010170949 /nfs/dbraw/zinc/17/09/49/1010170949.db2.gz PSAVZSQBHZEXIP-NFBKMPQASA-N 2 1 407.558 3.931 20 0 HHADMP C[C@H](c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000521144533 1010170966 /nfs/dbraw/zinc/17/09/66/1010170966.db2.gz PSAVZSQBHZEXIP-NFBKMPQASA-N 2 1 407.558 3.931 20 0 HHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000550785192 1010174015 /nfs/dbraw/zinc/17/40/15/1010174015.db2.gz PPLSFDUXZZWWMU-DOTOQJQBSA-N 2 1 407.377 3.854 20 0 HHADMP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)C[C@@H]1c1ccccc1 ZINC000551005087 1010311030 /nfs/dbraw/zinc/31/10/30/1010311030.db2.gz ISLYLERGPKRNIN-FCHUYYIVSA-N 2 1 408.542 3.889 20 0 HHADMP C[N@H+]1CC[C@H]([NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)C[C@@H]1c1ccccc1 ZINC000551005087 1010311043 /nfs/dbraw/zinc/31/10/43/1010311043.db2.gz ISLYLERGPKRNIN-FCHUYYIVSA-N 2 1 408.542 3.889 20 0 HHADMP C[N@H+]1CC[C@@H](Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C[C@H]1c1ccccc1 ZINC000551130102 1010390723 /nfs/dbraw/zinc/39/07/23/1010390723.db2.gz RZLGOGZSZDXCSZ-RPWUZVMVSA-N 2 1 406.574 3.631 20 0 HHADMP C[C@H]([NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547826503 1010440394 /nfs/dbraw/zinc/44/03/94/1010440394.db2.gz PFDDECHHUFKVDB-TUSQITKMSA-N 2 1 405.586 3.720 20 0 HHADMP C[C@@H]([NH2+]C1CCC(C(=O)N2CCSCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547827430 1010441127 /nfs/dbraw/zinc/44/11/27/1010441127.db2.gz PNYDWLULYYUMEQ-JYUKWDKTSA-N 2 1 415.647 3.621 20 0 HHADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)cc1 ZINC000521535736 1010446701 /nfs/dbraw/zinc/44/67/01/1010446701.db2.gz OSALOQPLXMQBQM-IBGZPJMESA-N 2 1 404.352 3.607 20 0 HHADMP CC(C)(C)[N@H+]1C[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C(F)(F)F)C1 ZINC000551250840 1010466160 /nfs/dbraw/zinc/46/61/60/1010466160.db2.gz VYGHDOGJGQTXHK-IPMKNSEASA-N 2 1 411.512 3.676 20 0 HHADMP CC(C)(C)[NH+]1C[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](C(F)(F)F)C1 ZINC000551250840 1010466167 /nfs/dbraw/zinc/46/61/67/1010466167.db2.gz VYGHDOGJGQTXHK-IPMKNSEASA-N 2 1 411.512 3.676 20 0 HHADMP CC(C)(C)[NH+]1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](C(F)(F)F)C1 ZINC000551250840 1010466177 /nfs/dbraw/zinc/46/61/77/1010466177.db2.gz VYGHDOGJGQTXHK-IPMKNSEASA-N 2 1 411.512 3.676 20 0 HHADMP CC(C)(C)[N@H+]1C[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C(F)(F)F)C1 ZINC000551250839 1010466438 /nfs/dbraw/zinc/46/64/38/1010466438.db2.gz VYGHDOGJGQTXHK-GUDVDZBRSA-N 2 1 411.512 3.676 20 0 HHADMP CC(C)(C)[NH+]1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](C(F)(F)F)C1 ZINC000551250839 1010466444 /nfs/dbraw/zinc/46/64/44/1010466444.db2.gz VYGHDOGJGQTXHK-GUDVDZBRSA-N 2 1 411.512 3.676 20 0 HHADMP CC(C)(C)[NH+]1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](C(F)(F)F)C1 ZINC000551250839 1010466450 /nfs/dbraw/zinc/46/64/50/1010466450.db2.gz VYGHDOGJGQTXHK-GUDVDZBRSA-N 2 1 411.512 3.676 20 0 HHADMP CN1c2ccccc2[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CC1=O ZINC000551263123 1010479675 /nfs/dbraw/zinc/47/96/75/1010479675.db2.gz MVBUHHKPLJGLFL-FYYLOGMGSA-N 2 1 419.569 3.613 20 0 HHADMP CN1c2ccccc2[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CC1=O ZINC000551263123 1010479682 /nfs/dbraw/zinc/47/96/82/1010479682.db2.gz MVBUHHKPLJGLFL-FYYLOGMGSA-N 2 1 419.569 3.613 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)C1 ZINC000521687078 1010550964 /nfs/dbraw/zinc/55/09/64/1010550964.db2.gz IOTGQUPQGKBPSA-SFHVURJKSA-N 2 1 410.553 3.550 20 0 HHADMP COc1ccc(C[C@@H](C)C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1F ZINC000545300367 1010721126 /nfs/dbraw/zinc/72/11/26/1010721126.db2.gz FINASHDPYPUSLL-YLJYHZDGSA-N 2 1 405.583 3.653 20 0 HHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000522029217 1010764299 /nfs/dbraw/zinc/76/42/99/1010764299.db2.gz OKIFZOMFCHWBHY-TZIWHRDSSA-N 2 1 414.619 3.780 20 0 HHADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000522029217 1010764307 /nfs/dbraw/zinc/76/43/07/1010764307.db2.gz OKIFZOMFCHWBHY-TZIWHRDSSA-N 2 1 414.619 3.780 20 0 HHADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000522029217 1010764319 /nfs/dbraw/zinc/76/43/19/1010764319.db2.gz OKIFZOMFCHWBHY-TZIWHRDSSA-N 2 1 414.619 3.780 20 0 HHADMP CC[C@H]1CN(C(=O)C2CCN(c3cc[nH+]cc3C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000545402459 1010775011 /nfs/dbraw/zinc/77/50/11/1010775011.db2.gz FHUYOVWYPKUGBG-QHCPKHFHSA-N 2 1 406.574 3.729 20 0 HHADMP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000522162359 1010841478 /nfs/dbraw/zinc/84/14/78/1010841478.db2.gz ZJOQVAJWBPCWFT-VWLOTQADSA-N 2 1 420.601 3.986 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000522277648 1010900744 /nfs/dbraw/zinc/90/07/44/1010900744.db2.gz SHUHSXYKKXLZPX-FCHUYYIVSA-N 2 1 410.562 3.689 20 0 HHADMP O=C(NC[C@H]1CCC[NH+]1Cc1ccccc1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000522277992 1010901445 /nfs/dbraw/zinc/90/14/45/1010901445.db2.gz CPDNZDNZZDWJKZ-XMMPIXPASA-N 2 1 424.564 3.708 20 0 HHADMP O=C(NC[C@H]1CCC[NH+]1Cc1ccccc1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000522277992 1010901450 /nfs/dbraw/zinc/90/14/50/1010901450.db2.gz CPDNZDNZZDWJKZ-XMMPIXPASA-N 2 1 424.564 3.708 20 0 HHADMP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000522277992 1010901463 /nfs/dbraw/zinc/90/14/63/1010901463.db2.gz CPDNZDNZZDWJKZ-XMMPIXPASA-N 2 1 424.564 3.708 20 0 HHADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000522277992 1010901468 /nfs/dbraw/zinc/90/14/68/1010901468.db2.gz CPDNZDNZZDWJKZ-XMMPIXPASA-N 2 1 424.564 3.708 20 0 HHADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000522444283 1011015989 /nfs/dbraw/zinc/01/59/89/1011015989.db2.gz MGHMHHQRYCLEBV-IBGZPJMESA-N 2 1 407.002 3.535 20 0 HHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](c3ccccc3C)C3CC3)CC2)cc1 ZINC000540591375 1011247838 /nfs/dbraw/zinc/24/78/38/1011247838.db2.gz BIOVWTOGEPUFHK-AREMUKBSSA-N 2 1 421.585 3.779 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](c3ccccc3C)C3CC3)CC2)cc1 ZINC000540591375 1011247852 /nfs/dbraw/zinc/24/78/52/1011247852.db2.gz BIOVWTOGEPUFHK-AREMUKBSSA-N 2 1 421.585 3.779 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000536155721 1011280298 /nfs/dbraw/zinc/28/02/98/1011280298.db2.gz OLEODYAIDUJFMG-OUJCMCIWSA-N 2 1 406.574 3.784 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000536155721 1011280309 /nfs/dbraw/zinc/28/03/09/1011280309.db2.gz OLEODYAIDUJFMG-OUJCMCIWSA-N 2 1 406.574 3.784 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000536155721 1011280315 /nfs/dbraw/zinc/28/03/15/1011280315.db2.gz OLEODYAIDUJFMG-OUJCMCIWSA-N 2 1 406.574 3.784 20 0 HHADMP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000522868459 1011310090 /nfs/dbraw/zinc/31/00/90/1011310090.db2.gz SXJWPFAAXUVVPF-RUZDIDTESA-N 2 1 420.601 3.986 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000536192734 1011333570 /nfs/dbraw/zinc/33/35/70/1011333570.db2.gz OZOWKQNMQDGAFC-QTJGBDASSA-N 2 1 406.574 3.595 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000536192734 1011333576 /nfs/dbraw/zinc/33/35/76/1011333576.db2.gz OZOWKQNMQDGAFC-QTJGBDASSA-N 2 1 406.574 3.595 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000536192734 1011333586 /nfs/dbraw/zinc/33/35/86/1011333586.db2.gz OZOWKQNMQDGAFC-QTJGBDASSA-N 2 1 406.574 3.595 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540718617 1011369653 /nfs/dbraw/zinc/36/96/53/1011369653.db2.gz CXIUILYVHQDOMR-XPGWFJOJSA-N 2 1 408.949 3.539 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540718617 1011369660 /nfs/dbraw/zinc/36/96/60/1011369660.db2.gz CXIUILYVHQDOMR-XPGWFJOJSA-N 2 1 408.949 3.539 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540718617 1011369667 /nfs/dbraw/zinc/36/96/67/1011369667.db2.gz CXIUILYVHQDOMR-XPGWFJOJSA-N 2 1 408.949 3.539 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540718617 1011369689 /nfs/dbraw/zinc/36/96/89/1011369689.db2.gz CXIUILYVHQDOMR-XPGWFJOJSA-N 2 1 408.949 3.539 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540718733 1011370326 /nfs/dbraw/zinc/37/03/26/1011370326.db2.gz WVJOUNWDUFVJQS-MHTWAQMVSA-N 2 1 422.976 3.929 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540718733 1011370341 /nfs/dbraw/zinc/37/03/41/1011370341.db2.gz WVJOUNWDUFVJQS-MHTWAQMVSA-N 2 1 422.976 3.929 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540718733 1011370352 /nfs/dbraw/zinc/37/03/52/1011370352.db2.gz WVJOUNWDUFVJQS-MHTWAQMVSA-N 2 1 422.976 3.929 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540718733 1011370363 /nfs/dbraw/zinc/37/03/63/1011370363.db2.gz WVJOUNWDUFVJQS-MHTWAQMVSA-N 2 1 422.976 3.929 20 0 HHADMP CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000540721057 1011374329 /nfs/dbraw/zinc/37/43/29/1011374329.db2.gz ZHCPFUHONPFQHQ-PMACEKPBSA-N 2 1 410.965 3.786 20 0 HHADMP CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000540721057 1011374334 /nfs/dbraw/zinc/37/43/34/1011374334.db2.gz ZHCPFUHONPFQHQ-PMACEKPBSA-N 2 1 410.965 3.786 20 0 HHADMP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000536230679 1011379488 /nfs/dbraw/zinc/37/94/88/1011379488.db2.gz CUWURGLMIKVDJW-MOPGFXCFSA-N 2 1 414.516 3.738 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000536231439 1011381094 /nfs/dbraw/zinc/38/10/94/1011381094.db2.gz GCGPJPXDNKJSDA-WXFUMESZSA-N 2 1 421.589 3.523 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000536231439 1011381105 /nfs/dbraw/zinc/38/11/05/1011381105.db2.gz GCGPJPXDNKJSDA-WXFUMESZSA-N 2 1 421.589 3.523 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000536231439 1011381119 /nfs/dbraw/zinc/38/11/19/1011381119.db2.gz GCGPJPXDNKJSDA-WXFUMESZSA-N 2 1 421.589 3.523 20 0 HHADMP C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC2CC[NH+](CC3CC3)CC2)c1 ZINC000540744355 1011396404 /nfs/dbraw/zinc/39/64/04/1011396404.db2.gz FKZCALTWCBWYHS-KRWDZBQOSA-N 2 1 402.558 3.925 20 0 HHADMP COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000541026861 1011662999 /nfs/dbraw/zinc/66/29/99/1011662999.db2.gz JTEJWBBRHLNADE-DLBZAZTESA-N 2 1 420.513 3.954 20 0 HHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000523188841 1011673404 /nfs/dbraw/zinc/67/34/04/1011673404.db2.gz GPWXKISPHUVADR-OTWHNJEPSA-N 2 1 406.640 3.626 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000523219411 1011707430 /nfs/dbraw/zinc/70/74/30/1011707430.db2.gz XIWXWZZKPFIHLN-ZEQRLZLVSA-N 2 1 423.605 3.689 20 0 HHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@H]2CCC[NH+](CC(C)C)C2)CC1)CC1CC1 ZINC000536584314 1011746483 /nfs/dbraw/zinc/74/64/83/1011746483.db2.gz NYKFVXXHFWTZQL-HSZRJFAPSA-N 2 1 406.659 3.898 20 0 HHADMP CC[NH+](CCC1CCN(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)CC1)CC1CC1 ZINC000536584314 1011746493 /nfs/dbraw/zinc/74/64/93/1011746493.db2.gz NYKFVXXHFWTZQL-HSZRJFAPSA-N 2 1 406.659 3.898 20 0 HHADMP CC[NH+](CCC1CCN(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)CC1)CC1CC1 ZINC000536584314 1011746506 /nfs/dbraw/zinc/74/65/06/1011746506.db2.gz NYKFVXXHFWTZQL-HSZRJFAPSA-N 2 1 406.659 3.898 20 0 HHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@@H]2CCC[NH+](CC(C)C)C2)CC1)CC1CC1 ZINC000536584315 1011747060 /nfs/dbraw/zinc/74/70/60/1011747060.db2.gz NYKFVXXHFWTZQL-QHCPKHFHSA-N 2 1 406.659 3.898 20 0 HHADMP CC[NH+](CCC1CCN(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CC1)CC1CC1 ZINC000536584315 1011747076 /nfs/dbraw/zinc/74/70/76/1011747076.db2.gz NYKFVXXHFWTZQL-QHCPKHFHSA-N 2 1 406.659 3.898 20 0 HHADMP CC[NH+](CCC1CCN(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1)CC1CC1 ZINC000536584315 1011747091 /nfs/dbraw/zinc/74/70/91/1011747091.db2.gz NYKFVXXHFWTZQL-QHCPKHFHSA-N 2 1 406.659 3.898 20 0 HHADMP C[C@@H]1CCC[C@@](CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)([NH+](C)C)C1 ZINC000523301041 1011780007 /nfs/dbraw/zinc/78/00/07/1011780007.db2.gz KNAPGNCUITTWKZ-XQBPLPMBSA-N 2 1 406.640 3.770 20 0 HHADMP O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000523338721 1011816575 /nfs/dbraw/zinc/81/65/75/1011816575.db2.gz SCCXIEVVZHXLIR-XMMPIXPASA-N 2 1 406.574 3.596 20 0 HHADMP COc1cc2c(cc1C[N@@H+](C)CCC1CC[NH+](C3CCN(C)CC3)CC1)O[C@H](C)C2 ZINC000536667085 1011820328 /nfs/dbraw/zinc/82/03/28/1011820328.db2.gz YSOJKLBPXFIOSC-LJQANCHMSA-N 2 1 415.622 3.647 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)CC1 ZINC000536704105 1011875265 /nfs/dbraw/zinc/87/52/65/1011875265.db2.gz QGSZJJACWYIQOH-NRFANRHFSA-N 2 1 409.578 3.859 20 0 HHADMP COc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc2c1OCCO2 ZINC000536710157 1011881829 /nfs/dbraw/zinc/88/18/29/1011881829.db2.gz LRXDYRGSRUYXSU-UHFFFAOYSA-N 2 1 408.542 3.955 20 0 HHADMP CCc1nc(NC(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)sc1C ZINC000536713273 1011885696 /nfs/dbraw/zinc/88/56/96/1011885696.db2.gz MRTDGCRXEKADNP-UHFFFAOYSA-N 2 1 401.580 3.586 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(OC(C)(C)C)cn1 ZINC000551753153 1011912221 /nfs/dbraw/zinc/91/22/21/1011912221.db2.gz DWHQFNVRSLNAIN-UHFFFAOYSA-N 2 1 416.610 3.527 20 0 HHADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000523437986 1011927904 /nfs/dbraw/zinc/92/79/04/1011927904.db2.gz FDQNQTWOKTWOLW-UHFFFAOYSA-N 2 1 416.541 3.541 20 0 HHADMP C[NH+](C)CCN(Cc1cccs1)C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000551770819 1011930259 /nfs/dbraw/zinc/93/02/59/1011930259.db2.gz WQQXFPFYONJABS-HZPDHXFCSA-N 2 1 405.530 3.547 20 0 HHADMP CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C(c1ccccc1)c1ccccc1 ZINC000551985469 1012036484 /nfs/dbraw/zinc/03/64/84/1012036484.db2.gz VKQWZQJYHVRJKP-UHFFFAOYSA-N 2 1 401.558 3.840 20 0 HHADMP CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C(c1ccccc1)c1ccccc1 ZINC000551985469 1012036494 /nfs/dbraw/zinc/03/64/94/1012036494.db2.gz VKQWZQJYHVRJKP-UHFFFAOYSA-N 2 1 401.558 3.840 20 0 HHADMP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000552045263 1012064585 /nfs/dbraw/zinc/06/45/85/1012064585.db2.gz AZLQRFZRKLLQEB-BIGMCNFVSA-N 3 1 412.666 3.540 20 0 HHADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2([NH+]3CCCCC3)CCOCC2)c(Cl)c1 ZINC000536850419 1012081074 /nfs/dbraw/zinc/08/10/74/1012081074.db2.gz FTCBSSLVORSCMW-GOSISDBHSA-N 2 1 407.986 3.990 20 0 HHADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000536861532 1012096166 /nfs/dbraw/zinc/09/61/66/1012096166.db2.gz FSDJPBOEFZWFQH-CVDCTZTESA-N 2 1 421.651 3.850 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000552101298 1012119070 /nfs/dbraw/zinc/11/90/70/1012119070.db2.gz LFYDMHKQBMDTHI-MSOLQXFVSA-N 2 1 403.533 3.620 20 0 HHADMP CN(C(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000523605090 1012173542 /nfs/dbraw/zinc/17/35/42/1012173542.db2.gz NRPBZPZITCECOE-VXKWHMMOSA-N 2 1 424.614 3.726 20 0 HHADMP CN(C(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000523605090 1012173546 /nfs/dbraw/zinc/17/35/46/1012173546.db2.gz NRPBZPZITCECOE-VXKWHMMOSA-N 2 1 424.614 3.726 20 0 HHADMP CN(C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[C@H]1CC[NH+](C2CC2)C1 ZINC000523605090 1012173557 /nfs/dbraw/zinc/17/35/57/1012173557.db2.gz NRPBZPZITCECOE-VXKWHMMOSA-N 2 1 424.614 3.726 20 0 HHADMP CN(C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[C@H]1CC[NH+](C2CC2)C1 ZINC000523605090 1012173571 /nfs/dbraw/zinc/17/35/71/1012173571.db2.gz NRPBZPZITCECOE-VXKWHMMOSA-N 2 1 424.614 3.726 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)[NH+]2CCCC2)o1 ZINC000523644355 1012237192 /nfs/dbraw/zinc/23/71/92/1012237192.db2.gz CNHUVYOMFXPTDP-JOCHJYFZSA-N 2 1 424.589 3.861 20 0 HHADMP COc1cccc([C@@H]2[C@@H](NC(=O)NCC[C@@H](C)[NH+]3CCCCC3)CC[N@H+]2C2CC2)c1 ZINC000541476773 1012246670 /nfs/dbraw/zinc/24/66/70/1012246670.db2.gz JONCVIFEQUYBPJ-YFXJRYMSSA-N 2 1 414.594 3.537 20 0 HHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000541534357 1012318313 /nfs/dbraw/zinc/31/83/13/1012318313.db2.gz NOLRQDSWWUNVRM-FQEVSTJZSA-N 2 1 418.545 3.918 20 0 HHADMP C[C@H]([NH2+][C@@H](C)c1cccc(OC(F)F)c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537018239 1012322177 /nfs/dbraw/zinc/32/21/77/1012322177.db2.gz POIDSTNQEVAPJZ-ABSDTBQOSA-N 2 1 417.500 3.718 20 0 HHADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000541542118 1012326972 /nfs/dbraw/zinc/32/69/72/1012326972.db2.gz PJZZRIAYBNWULU-MSOLQXFVSA-N 2 1 402.560 3.863 20 0 HHADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000541542118 1012326987 /nfs/dbraw/zinc/32/69/87/1012326987.db2.gz PJZZRIAYBNWULU-MSOLQXFVSA-N 2 1 402.560 3.863 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CCC(=O)Nc3ccccc32)c1)C1CCOCC1 ZINC000541542321 1012327996 /nfs/dbraw/zinc/32/79/96/1012327996.db2.gz RJOXAOXUCCPUQQ-HSZRJFAPSA-N 2 1 423.557 3.739 20 0 HHADMP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537024861 1012333265 /nfs/dbraw/zinc/33/32/65/1012333265.db2.gz BVBJXQYOUKGGML-VWPQPMDRSA-N 2 1 409.574 3.904 20 0 HHADMP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537024861 1012333276 /nfs/dbraw/zinc/33/32/76/1012333276.db2.gz BVBJXQYOUKGGML-VWPQPMDRSA-N 2 1 409.574 3.904 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)[C@H](C)C1 ZINC000523732649 1012350186 /nfs/dbraw/zinc/35/01/86/1012350186.db2.gz PPJVELHZMQLFHY-UZLBHIALSA-N 2 1 423.395 3.952 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000537132982 1012519437 /nfs/dbraw/zinc/51/94/37/1012519437.db2.gz YKTKSNYLVJRUHI-OTNCWRBYSA-N 2 1 421.585 3.649 20 0 HHADMP COc1cccc(F)c1[C@H](C)[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000537155111 1012549985 /nfs/dbraw/zinc/54/99/85/1012549985.db2.gz VZJMRNRCHYWSOD-ROUUACIJSA-N 2 1 413.537 3.654 20 0 HHADMP Cc1c(C)c(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)ccc1NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000552610785 1012612992 /nfs/dbraw/zinc/61/29/92/1012612992.db2.gz YEMBHEVRYDUFNX-XLAORIBOSA-N 2 1 414.594 3.926 20 0 HHADMP CN1CCN([C@H](C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c2cccs2)CC1 ZINC000541882374 1012751848 /nfs/dbraw/zinc/75/18/48/1012751848.db2.gz HTNBJIMANIEAPL-OLKYXYMISA-N 2 1 424.658 3.537 20 0 HHADMP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C12CCCCC2 ZINC000537295630 1012753944 /nfs/dbraw/zinc/75/39/44/1012753944.db2.gz NEYFVWLXEJKDLA-XPWALMASSA-N 2 1 413.606 3.601 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000541889034 1012756350 /nfs/dbraw/zinc/75/63/50/1012756350.db2.gz KTHFGKJKZJJUGZ-MRGHISEYSA-N 2 1 407.602 3.776 20 0 HHADMP COc1ccc([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c(Br)c1 ZINC000537303142 1012760811 /nfs/dbraw/zinc/76/08/11/1012760811.db2.gz CUACORFQEVDEPM-CQSZACIVSA-N 2 1 408.340 3.644 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000541915049 1012773769 /nfs/dbraw/zinc/77/37/69/1012773769.db2.gz WDWZPEPKNKLPSQ-LAUBAEHRSA-N 2 1 407.558 3.724 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000541915050 1012773968 /nfs/dbraw/zinc/77/39/68/1012773968.db2.gz WDWZPEPKNKLPSQ-UTKZUKDTSA-N 2 1 407.558 3.724 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCC[C@H]1CO ZINC000541917954 1012776496 /nfs/dbraw/zinc/77/64/96/1012776496.db2.gz IWYPUPGLARFMNX-NYMACZPPSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000541917954 1012776506 /nfs/dbraw/zinc/77/65/06/1012776506.db2.gz IWYPUPGLARFMNX-NYMACZPPSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000541917954 1012776511 /nfs/dbraw/zinc/77/65/11/1012776511.db2.gz IWYPUPGLARFMNX-NYMACZPPSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000541917954 1012776523 /nfs/dbraw/zinc/77/65/23/1012776523.db2.gz IWYPUPGLARFMNX-NYMACZPPSA-N 2 1 407.602 3.644 20 0 HHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000541917954 1012776525 /nfs/dbraw/zinc/77/65/25/1012776525.db2.gz IWYPUPGLARFMNX-NYMACZPPSA-N 2 1 407.602 3.644 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCCc2ccc(OC(C)C)cc2)cc1 ZINC000541956529 1012820685 /nfs/dbraw/zinc/82/06/85/1012820685.db2.gz OLOYPCYECPXJLO-IBGZPJMESA-N 2 1 420.557 3.977 20 0 HHADMP CCOc1cc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc(Cl)c1O ZINC000552830006 1012840777 /nfs/dbraw/zinc/84/07/77/1012840777.db2.gz WJRJPRHFQJJUCB-INIZCTEOSA-N 2 1 404.938 3.955 20 0 HHADMP CCOc1cc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc(Cl)c1O ZINC000552830006 1012840795 /nfs/dbraw/zinc/84/07/95/1012840795.db2.gz WJRJPRHFQJJUCB-INIZCTEOSA-N 2 1 404.938 3.955 20 0 HHADMP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2cccc(N3CCCC3=O)c2)CC1 ZINC000542011941 1012896616 /nfs/dbraw/zinc/89/66/16/1012896616.db2.gz HNPIXPUASUIDIT-UHFFFAOYSA-N 2 1 414.594 3.586 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000524135944 1012921463 /nfs/dbraw/zinc/92/14/63/1012921463.db2.gz XTEZXUQUDJWIPQ-REWPJTCUSA-N 2 1 400.611 3.803 20 0 HHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCSc4c(F)cccc43)CC2)CC1 ZINC000552971442 1012954299 /nfs/dbraw/zinc/95/42/99/1012954299.db2.gz XQFUIHAVWNXMMO-FQEVSTJZSA-N 2 1 405.583 3.675 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N(C)CC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537468598 1012973050 /nfs/dbraw/zinc/97/30/50/1012973050.db2.gz ZNWSBSBIIVEYJI-RTWAWAEBSA-N 2 1 424.992 3.986 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N(C)CC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537468598 1012973068 /nfs/dbraw/zinc/97/30/68/1012973068.db2.gz ZNWSBSBIIVEYJI-RTWAWAEBSA-N 2 1 424.992 3.986 20 0 HHADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@H](c3ccccc3)[NH+](CC)CC)c2C1 ZINC000524181404 1012979946 /nfs/dbraw/zinc/97/99/46/1012979946.db2.gz ASDHZFPBWWQPEW-HSZRJFAPSA-N 2 1 422.573 3.550 20 0 HHADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@H](c3ccccc3)[NH+](CC)CC)c2C1 ZINC000524181404 1012979958 /nfs/dbraw/zinc/97/99/58/1012979958.db2.gz ASDHZFPBWWQPEW-HSZRJFAPSA-N 2 1 422.573 3.550 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCC[C@H]2CO)cc1)C(C)C ZINC000542091678 1013015798 /nfs/dbraw/zinc/01/57/98/1013015798.db2.gz QMYRHKCLAXREIV-VWLOTQADSA-N 2 1 423.601 3.804 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1)C(C)C ZINC000542091678 1013015814 /nfs/dbraw/zinc/01/58/14/1013015814.db2.gz QMYRHKCLAXREIV-VWLOTQADSA-N 2 1 423.601 3.804 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1)C(C)C ZINC000542091678 1013015833 /nfs/dbraw/zinc/01/58/33/1013015833.db2.gz QMYRHKCLAXREIV-VWLOTQADSA-N 2 1 423.601 3.804 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCC[C@@H]2CO)cc1)C(C)C ZINC000542091677 1013016801 /nfs/dbraw/zinc/01/68/01/1013016801.db2.gz QMYRHKCLAXREIV-RUZDIDTESA-N 2 1 423.601 3.804 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1)C(C)C ZINC000542091677 1013016816 /nfs/dbraw/zinc/01/68/16/1013016816.db2.gz QMYRHKCLAXREIV-RUZDIDTESA-N 2 1 423.601 3.804 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1)C(C)C ZINC000542091677 1013016826 /nfs/dbraw/zinc/01/68/26/1013016826.db2.gz QMYRHKCLAXREIV-RUZDIDTESA-N 2 1 423.601 3.804 20 0 HHADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C[C@@H](C)C1 ZINC000487816606 1072063369 /nfs/dbraw/zinc/06/33/69/1072063369.db2.gz DMKXIGPEUFYZCC-NJNPRVFISA-N 2 1 419.013 3.676 20 0 HHADMP COc1ccc(C[C@@](C)(O)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1OC ZINC000570252246 1072211783 /nfs/dbraw/zinc/21/17/83/1072211783.db2.gz YHIXURGALVITLR-KWNHSTDBSA-N 2 1 424.585 3.783 20 0 HHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cc(F)c(Br)cc2F)no1 ZINC001212145020 1072521131 /nfs/dbraw/zinc/52/11/31/1072521131.db2.gz JMLKFJDULJZXBE-AWEZNQCLSA-N 2 1 403.271 3.945 20 0 HHADMP CC[C@H](C(=O)N1CCC([NH+]2CCc3ccccc3C2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000571604970 1072678150 /nfs/dbraw/zinc/67/81/50/1072678150.db2.gz RQVFAYUICZUEKD-RUZDIDTESA-N 2 1 405.586 3.946 20 0 HHADMP CC[C@H](C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)[NH+](C)Cc1ccccc1 ZINC000571604970 1072678152 /nfs/dbraw/zinc/67/81/52/1072678152.db2.gz RQVFAYUICZUEKD-RUZDIDTESA-N 2 1 405.586 3.946 20 0 HHADMP CC[C@H](C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)[NH+](C)Cc1ccccc1 ZINC000571604970 1072678155 /nfs/dbraw/zinc/67/81/55/1072678155.db2.gz RQVFAYUICZUEKD-RUZDIDTESA-N 2 1 405.586 3.946 20 0 HHADMP CC(C)(C)OC(=O)N1CCC(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000760670679 1072696827 /nfs/dbraw/zinc/69/68/27/1072696827.db2.gz QVNUDUGVFSMKRI-QFIPXVFZSA-N 2 1 401.595 3.788 20 0 HHADMP Cc1cccc(COC[C@@]23CCCO[C@@H]2CC[N@H+](C2CC[NH+](CC4CC4)CC2)C3)n1 ZINC001168380469 1072707748 /nfs/dbraw/zinc/70/77/48/1072707748.db2.gz SWBAGZPKPCDILD-RPBOFIJWSA-N 2 1 413.606 3.652 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000479409598 1072831586 /nfs/dbraw/zinc/83/15/86/1072831586.db2.gz FVSOIMCXUAZCBY-OFNKIYASSA-N 2 1 400.611 3.975 20 0 HHADMP C[N@@H+](CCNC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C)C1CC1 ZINC000554906391 1072942324 /nfs/dbraw/zinc/94/23/24/1072942324.db2.gz MICOSHKKNMBORS-QNKZKCNHSA-N 2 1 404.986 3.647 20 0 HHADMP C[NH+](CCNC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000554906391 1072942334 /nfs/dbraw/zinc/94/23/34/1072942334.db2.gz MICOSHKKNMBORS-QNKZKCNHSA-N 2 1 404.986 3.647 20 0 HHADMP C[NH+](CCNC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000554906391 1072942349 /nfs/dbraw/zinc/94/23/49/1072942349.db2.gz MICOSHKKNMBORS-QNKZKCNHSA-N 2 1 404.986 3.647 20 0 HHADMP CC[C@@H](C(=O)N1CCC[C@H]([NH+](C)Cc2ccccn2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000555088872 1073148964 /nfs/dbraw/zinc/14/89/64/1073148964.db2.gz AIEQIVWEQPMUDW-ZEQRLZLVSA-N 2 1 408.590 3.805 20 0 HHADMP CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1)[NH+](C)Cc1ccccc1 ZINC000555088872 1073148965 /nfs/dbraw/zinc/14/89/65/1073148965.db2.gz AIEQIVWEQPMUDW-ZEQRLZLVSA-N 2 1 408.590 3.805 20 0 HHADMP CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1)[NH+](C)Cc1ccccc1 ZINC000555088872 1073148968 /nfs/dbraw/zinc/14/89/68/1073148968.db2.gz AIEQIVWEQPMUDW-ZEQRLZLVSA-N 2 1 408.590 3.805 20 0 HHADMP CC(C)C[C@H](NC(=O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1 ZINC000588711241 1073156515 /nfs/dbraw/zinc/15/65/15/1073156515.db2.gz XLLOTKHHBWEZJJ-LGVFNWMJSA-N 2 1 415.622 3.711 20 0 HHADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588711298 1073156598 /nfs/dbraw/zinc/15/65/98/1073156598.db2.gz NMAFMOFRLFDURS-ZCNNSNEGSA-N 2 1 415.622 3.960 20 0 HHADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588711298 1073156600 /nfs/dbraw/zinc/15/66/00/1073156600.db2.gz NMAFMOFRLFDURS-ZCNNSNEGSA-N 2 1 415.622 3.960 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)CC2)cs1 ZINC000588752906 1073214043 /nfs/dbraw/zinc/21/40/43/1073214043.db2.gz ZIEGUTJIBXCQBR-LJQANCHMSA-N 2 1 418.632 3.678 20 0 HHADMP CC1(C)CC(NC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000555158404 1073220374 /nfs/dbraw/zinc/22/03/74/1073220374.db2.gz DTIHRUSFQVVYJU-FQEVSTJZSA-N 2 1 400.611 3.897 20 0 HHADMP O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000555211704 1073265176 /nfs/dbraw/zinc/26/51/76/1073265176.db2.gz OVOWAIAMNZGBOK-DSNGMDLFSA-N 2 1 418.585 3.534 20 0 HHADMP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000589078028 1073417661 /nfs/dbraw/zinc/41/76/61/1073417661.db2.gz VOLLKEYZKAAUJR-FQEVSTJZSA-N 2 1 415.419 3.660 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000590786181 1074004057 /nfs/dbraw/zinc/00/40/57/1074004057.db2.gz FRJPAMGTSXXEMW-QGZVFWFLSA-N 2 1 424.427 3.848 20 0 HHADMP c1cc([C@@H]2CCC[NH+](Cc3ccc(C[N@H+]4CCC[C@@H](c5cc[nH]n5)C4)cc3)C2)n[nH]1 ZINC000590929117 1074040069 /nfs/dbraw/zinc/04/00/69/1074040069.db2.gz SYVKQYURDAZAGE-FGZHOGPDSA-N 2 1 404.562 3.892 20 0 HHADMP OC1CC[NH+](CCC[NH2+][C@H]2CCCc3c4cc(Br)ccc4[nH]c32)CC1 ZINC000573012029 1074060711 /nfs/dbraw/zinc/06/07/11/1074060711.db2.gz XOOLFLCEHCGNMG-IBGZPJMESA-N 2 1 406.368 3.744 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(CC[NH+](C)C)CC3CCCCC3)cc2)C[C@H](C)O1 ZINC000591153634 1074153961 /nfs/dbraw/zinc/15/39/61/1074153961.db2.gz PPONOXGROAWNHR-OYRHEFFESA-N 2 1 415.622 3.880 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(CC[NH+](C)C)CC3CCCCC3)cc2)C[C@H](C)O1 ZINC000591153634 1074153965 /nfs/dbraw/zinc/15/39/65/1074153965.db2.gz PPONOXGROAWNHR-OYRHEFFESA-N 2 1 415.622 3.880 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCC[C@H](C)C2)C1 ZINC000591554620 1074404071 /nfs/dbraw/zinc/40/40/71/1074404071.db2.gz AYRFBQCSULRWQS-SFTDATJTSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000591554620 1074404075 /nfs/dbraw/zinc/40/40/75/1074404075.db2.gz AYRFBQCSULRWQS-SFTDATJTSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)C1 ZINC000591554620 1074404081 /nfs/dbraw/zinc/40/40/81/1074404081.db2.gz AYRFBQCSULRWQS-SFTDATJTSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000591557114 1074404458 /nfs/dbraw/zinc/40/44/58/1074404458.db2.gz BHAOHBGCXHCJLH-NQIIRXRSSA-N 2 1 407.002 3.897 20 0 HHADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000574314999 1075219041 /nfs/dbraw/zinc/21/90/41/1075219041.db2.gz QKAYBZYFQQFKAR-YRPNKDGESA-N 2 1 402.583 3.568 20 0 HHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000574314999 1075219045 /nfs/dbraw/zinc/21/90/45/1075219045.db2.gz QKAYBZYFQQFKAR-YRPNKDGESA-N 2 1 402.583 3.568 20 0 HHADMP CSC1(CNC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC[NH+](C)CC1 ZINC000574330529 1075222200 /nfs/dbraw/zinc/22/22/00/1075222200.db2.gz VPVFYIWZOVRAAH-LJQANCHMSA-N 2 1 418.651 3.545 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)c(Cl)c2)c2c1CC[NH2+]C2 ZINC001164685177 719605955 /nfs/dbraw/zinc/60/59/55/719605955.db2.gz SIRZVFLCXRXAOF-UHFFFAOYSA-N 2 1 404.292 3.668 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)c(Cl)c2)c2c1CC[NH2+]C2 ZINC001164685177 719605960 /nfs/dbraw/zinc/60/59/60/719605960.db2.gz SIRZVFLCXRXAOF-UHFFFAOYSA-N 2 1 404.292 3.668 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)nc3c(Cl)cccc32)c2c1CC[NH2+]C2 ZINC001164683631 719619545 /nfs/dbraw/zinc/61/95/45/719619545.db2.gz UFRFJAPSGKQGIL-UHFFFAOYSA-N 2 1 405.333 3.608 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)nc3c(Cl)cccc32)c2c1CC[NH2+]C2 ZINC001164683631 719619553 /nfs/dbraw/zinc/61/95/53/719619553.db2.gz UFRFJAPSGKQGIL-UHFFFAOYSA-N 2 1 405.333 3.608 20 0 HHADMP c1csc(C[N@H+]2CCOC3(CCN(c4ncccc4C[NH+]4CCCC4)CC3)C2)c1 ZINC001164707701 719907820 /nfs/dbraw/zinc/90/78/20/719907820.db2.gz VKKJAZDZBSMIHL-UHFFFAOYSA-N 2 1 412.603 3.610 20 0 HHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]cnc3c1ccn3C1CCCC1)C2 ZINC001164810073 720124491 /nfs/dbraw/zinc/12/44/91/720124491.db2.gz JOGYPHXRVLVCFJ-YADARESESA-N 2 1 409.578 3.731 20 0 HHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]cnc3c1ccn3C1CCCC1)C2 ZINC001164810073 720124502 /nfs/dbraw/zinc/12/45/02/720124502.db2.gz JOGYPHXRVLVCFJ-YADARESESA-N 2 1 409.578 3.731 20 0 HHADMP COc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]c2ccccc21 ZINC001164842156 720576391 /nfs/dbraw/zinc/57/63/91/720576391.db2.gz WZWSBDWEYZLWAP-WOIUINJBSA-N 2 1 405.546 3.818 20 0 HHADMP COc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]c2ccccc21 ZINC001164842156 720576408 /nfs/dbraw/zinc/57/64/08/720576408.db2.gz WZWSBDWEYZLWAP-WOIUINJBSA-N 2 1 405.546 3.818 20 0 HHADMP Cc1cc(N2CCCC2)nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH+]1 ZINC001164837086 720654796 /nfs/dbraw/zinc/65/47/96/720654796.db2.gz BOIXXYIYEVYEHP-JOCHJYFZSA-N 2 1 421.589 3.645 20 0 HHADMP C[NH+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(C[N@H+](C)C3CC3)cn1)CC2 ZINC001164795910 721501226 /nfs/dbraw/zinc/50/12/26/721501226.db2.gz MUFUYAMGPGUJFY-UHFFFAOYSA-N 2 1 405.590 3.952 20 0 HHADMP C[NH+](Cc1ccc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc1)C1CC1 ZINC001164795910 721501233 /nfs/dbraw/zinc/50/12/33/721501233.db2.gz MUFUYAMGPGUJFY-UHFFFAOYSA-N 2 1 405.590 3.952 20 0 HHADMP C[NH+](Cc1ccc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc1)C1CC1 ZINC001164795910 721501237 /nfs/dbraw/zinc/50/12/37/721501237.db2.gz MUFUYAMGPGUJFY-UHFFFAOYSA-N 2 1 405.590 3.952 20 0 HHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc4c3CC[NH2+]C4)C[C@@H]21 ZINC001165023263 721821796 /nfs/dbraw/zinc/82/17/96/721821796.db2.gz ILVJZIUBJHOFLR-NBHGPNQESA-N 2 1 411.981 3.513 20 0 HHADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC[C@@H]([NH+](C)C)C4)c23)C1 ZINC001165035212 721896021 /nfs/dbraw/zinc/89/60/21/721896021.db2.gz LPRQEVOMESVYJY-DLBZAZTESA-N 2 1 413.635 3.942 20 0 HHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC[C@@H]([NH+](C)C)C4)c23)C1 ZINC001165035214 721896128 /nfs/dbraw/zinc/89/61/28/721896128.db2.gz LPRQEVOMESVYJY-IAGOWNOFSA-N 2 1 413.635 3.942 20 0 HHADMP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000301991531 971145752 /nfs/dbraw/zinc/14/57/52/971145752.db2.gz PUUIDJMJDUUWKE-UHFFFAOYSA-N 2 1 402.970 3.809 20 0 HHADMP Cc1ccc(C2CC([NH2+]Cc3cccc(NC(=O)CC[NH+]4CCOCC4)c3)C2)cc1 ZINC000542137389 1013070753 /nfs/dbraw/zinc/07/07/53/1013070753.db2.gz JHUOIOASDWHDNS-UHFFFAOYSA-N 2 1 407.558 3.692 20 0 HHADMP Cc1ccccc1C[NH+]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000302903914 971383609 /nfs/dbraw/zinc/38/36/09/971383609.db2.gz VVNVZJXKIVXYJA-NRFANRHFSA-N 2 1 412.603 3.721 20 0 HHADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@H](C[NH+]3CCCC3)c3ccccc3)cc2F)CC1 ZINC000302961390 971421563 /nfs/dbraw/zinc/42/15/63/971421563.db2.gz BYKARTSVKZEVNA-HSZRJFAPSA-N 2 1 424.564 3.535 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000303430815 971713358 /nfs/dbraw/zinc/71/33/58/971713358.db2.gz CBCJVZQLGYLHFU-HCMIIXLQSA-N 2 1 412.622 3.849 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000303430815 971713370 /nfs/dbraw/zinc/71/33/70/971713370.db2.gz CBCJVZQLGYLHFU-HCMIIXLQSA-N 2 1 412.622 3.849 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000303430815 971713376 /nfs/dbraw/zinc/71/33/76/971713376.db2.gz CBCJVZQLGYLHFU-HCMIIXLQSA-N 2 1 412.622 3.849 20 0 HHADMP C[C@@H](C(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000303443725 971734835 /nfs/dbraw/zinc/73/48/35/971734835.db2.gz GHPVWIKYKKQYKT-NRFANRHFSA-N 2 1 405.586 3.804 20 0 HHADMP C[C@@H](C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)[NH+]1CCc2ccccc2C1 ZINC000303443725 971734838 /nfs/dbraw/zinc/73/48/38/971734838.db2.gz GHPVWIKYKKQYKT-NRFANRHFSA-N 2 1 405.586 3.804 20 0 HHADMP C[C@@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)[NH+]1CCc2ccccc2C1 ZINC000303443725 971734845 /nfs/dbraw/zinc/73/48/45/971734845.db2.gz GHPVWIKYKKQYKT-NRFANRHFSA-N 2 1 405.586 3.804 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000303489755 971788101 /nfs/dbraw/zinc/78/81/01/971788101.db2.gz RXRUYQBJRURVML-NHYNNZIHSA-N 2 1 406.574 3.784 20 0 HHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000524302772 1013116084 /nfs/dbraw/zinc/11/60/84/1013116084.db2.gz NNVFGKWEEPOWKD-DEOSSOPVSA-N 2 1 408.590 3.944 20 0 HHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000524302773 1013116402 /nfs/dbraw/zinc/11/64/02/1013116402.db2.gz NNVFGKWEEPOWKD-XMMPIXPASA-N 2 1 408.590 3.944 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000537613494 1013153022 /nfs/dbraw/zinc/15/30/22/1013153022.db2.gz QIDXVDCKNVARTI-OFNKIYASSA-N 2 1 406.574 3.633 20 0 HHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)CC34CC5CC(CC(C5)C3)C4)CC2)CC1 ZINC000553211555 1013174605 /nfs/dbraw/zinc/17/46/05/1013174605.db2.gz WHPWMSWDESZXBW-UHFFFAOYSA-N 2 1 401.639 3.858 20 0 HHADMP CCCOc1ccc(CNC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)c(C)c1 ZINC000553221486 1013188574 /nfs/dbraw/zinc/18/85/74/1013188574.db2.gz DYAVZOJTLDOIDK-UHFFFAOYSA-N 2 1 401.595 3.596 20 0 HHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000537648092 1013209186 /nfs/dbraw/zinc/20/91/86/1013209186.db2.gz RBOCAWPXTXCNSK-SFHVURJKSA-N 2 1 421.383 3.772 20 0 HHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000537648092 1013209191 /nfs/dbraw/zinc/20/91/91/1013209191.db2.gz RBOCAWPXTXCNSK-SFHVURJKSA-N 2 1 421.383 3.772 20 0 HHADMP C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000553293829 1013251222 /nfs/dbraw/zinc/25/12/22/1013251222.db2.gz LGIKBLRLFWEILO-KXBFYZLASA-N 2 1 412.441 3.849 20 0 HHADMP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000553293826 1013251097 /nfs/dbraw/zinc/25/10/97/1013251097.db2.gz LGIKBLRLFWEILO-BEFAXECRSA-N 2 1 412.441 3.849 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000537692618 1013256776 /nfs/dbraw/zinc/25/67/76/1013256776.db2.gz KPMQYIYVNXGCDB-QYZOEREBSA-N 2 1 408.468 3.575 20 0 HHADMP CC(C)[N@@H+]1CCc2nc(NC(=O)[C@H]3CCC[NH+](Cc4cccc(F)c4)C3)sc2C1 ZINC000542387984 1013341890 /nfs/dbraw/zinc/34/18/90/1013341890.db2.gz DKFMJFLLZXAEDQ-KRWDZBQOSA-N 2 1 416.566 3.899 20 0 HHADMP CC(C)[N@H+]1CCc2nc(NC(=O)[C@H]3CCC[NH+](Cc4cccc(F)c4)C3)sc2C1 ZINC000542387984 1013341902 /nfs/dbraw/zinc/34/19/02/1013341902.db2.gz DKFMJFLLZXAEDQ-KRWDZBQOSA-N 2 1 416.566 3.899 20 0 HHADMP CC(C)[NH+]1CCc2nc(NC(=O)[C@H]3CCC[N@H+](Cc4cccc(F)c4)C3)sc2C1 ZINC000542387984 1013341910 /nfs/dbraw/zinc/34/19/10/1013341910.db2.gz DKFMJFLLZXAEDQ-KRWDZBQOSA-N 2 1 416.566 3.899 20 0 HHADMP CC(C)[NH+]1CCc2nc(NC(=O)[C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)sc2C1 ZINC000542387984 1013341921 /nfs/dbraw/zinc/34/19/21/1013341921.db2.gz DKFMJFLLZXAEDQ-KRWDZBQOSA-N 2 1 416.566 3.899 20 0 HHADMP CC(C)[N@@H+]1CCc2nc(NC(=O)[C@@H]3CCC[NH+](Cc4cccc(F)c4)C3)sc2C1 ZINC000542387985 1013342355 /nfs/dbraw/zinc/34/23/55/1013342355.db2.gz DKFMJFLLZXAEDQ-QGZVFWFLSA-N 2 1 416.566 3.899 20 0 HHADMP CC(C)[N@H+]1CCc2nc(NC(=O)[C@@H]3CCC[NH+](Cc4cccc(F)c4)C3)sc2C1 ZINC000542387985 1013342362 /nfs/dbraw/zinc/34/23/62/1013342362.db2.gz DKFMJFLLZXAEDQ-QGZVFWFLSA-N 2 1 416.566 3.899 20 0 HHADMP CC(C)[NH+]1CCc2nc(NC(=O)[C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)sc2C1 ZINC000542387985 1013342366 /nfs/dbraw/zinc/34/23/66/1013342366.db2.gz DKFMJFLLZXAEDQ-QGZVFWFLSA-N 2 1 416.566 3.899 20 0 HHADMP CC(C)[NH+]1CCc2nc(NC(=O)[C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)sc2C1 ZINC000542387985 1013342373 /nfs/dbraw/zinc/34/23/73/1013342373.db2.gz DKFMJFLLZXAEDQ-QGZVFWFLSA-N 2 1 416.566 3.899 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(F)c(OC(C)C)c(F)c1 ZINC000542391157 1013344629 /nfs/dbraw/zinc/34/46/29/1013344629.db2.gz FJHYSSGHFYOFAF-QGZVFWFLSA-N 2 1 412.525 3.632 20 0 HHADMP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553505447 1013406134 /nfs/dbraw/zinc/40/61/34/1013406134.db2.gz VPSFZSKDEHKWHE-AREMUKBSSA-N 2 1 412.537 3.985 20 0 HHADMP C[C@@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000542515147 1013459328 /nfs/dbraw/zinc/45/93/28/1013459328.db2.gz QMXYLHYTGZGVKI-NRFANRHFSA-N 2 1 405.586 3.852 20 0 HHADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H](C)[NH+]1CCc2sccc2C1 ZINC000048829774 964071056 /nfs/dbraw/zinc/07/10/56/964071056.db2.gz CGJAMPOKRZZQHN-SFHVURJKSA-N 2 1 414.619 3.834 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H](C)[NH+]1CCc2sccc2C1 ZINC000048829774 964071069 /nfs/dbraw/zinc/07/10/69/964071069.db2.gz CGJAMPOKRZZQHN-SFHVURJKSA-N 2 1 414.619 3.834 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000048829774 964071082 /nfs/dbraw/zinc/07/10/82/964071082.db2.gz CGJAMPOKRZZQHN-SFHVURJKSA-N 2 1 414.619 3.834 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000048829774 964071094 /nfs/dbraw/zinc/07/10/94/964071094.db2.gz CGJAMPOKRZZQHN-SFHVURJKSA-N 2 1 414.619 3.834 20 0 HHADMP CN1CC[NH+](CC2(C)CCN(c3cc[nH+]c4cc(Br)ccc43)CC2)CC1 ZINC000542527671 1013469807 /nfs/dbraw/zinc/46/98/07/1013469807.db2.gz WZDVYQBTJHLSDH-UHFFFAOYSA-N 2 1 417.395 3.851 20 0 HHADMP C[C@@H]([NH2+]CC(=O)Nc1ccnn1CC1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542530681 1013472908 /nfs/dbraw/zinc/47/29/08/1013472908.db2.gz GMCAQAUCGREUQI-UYAOXDASSA-N 2 1 401.599 3.645 20 0 HHADMP C[C@@H]([NH2+]CC(=O)Nc1ccnn1CC1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542530681 1013472916 /nfs/dbraw/zinc/47/29/16/1013472916.db2.gz GMCAQAUCGREUQI-UYAOXDASSA-N 2 1 401.599 3.645 20 0 HHADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000052120045 964817317 /nfs/dbraw/zinc/81/73/17/964817317.db2.gz DPEQQUZLVDNUIJ-UHFFFAOYSA-N 2 1 401.514 3.902 20 0 HHADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000537959357 1013538771 /nfs/dbraw/zinc/53/87/71/1013538771.db2.gz DAEYYKAJIGMUEL-XUVXKRRUSA-N 2 1 411.359 3.933 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000537965943 1013543204 /nfs/dbraw/zinc/54/32/04/1013543204.db2.gz MUQNRLXTUBAJMW-OAHLLOKOSA-N 2 1 403.935 3.959 20 0 HHADMP Cc1c([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1-c1cccc(Cl)c1 ZINC000537969024 1013545641 /nfs/dbraw/zinc/54/56/41/1013545641.db2.gz IQOAYOLLSNPHOK-IXDOHACOSA-N 2 1 405.974 3.769 20 0 HHADMP C[N@H+]1CCCN(c2ccc(NC(=O)[C@@H]3CCC[NH+](Cc4ccccc4)C3)cc2)CC1 ZINC000057174598 965326707 /nfs/dbraw/zinc/32/67/07/965326707.db2.gz JVCOTRUGAFLOIS-JOCHJYFZSA-N 2 1 406.574 3.679 20 0 HHADMP C[NH+]1CCCN(c2ccc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000057174598 965326713 /nfs/dbraw/zinc/32/67/13/965326713.db2.gz JVCOTRUGAFLOIS-JOCHJYFZSA-N 2 1 406.574 3.679 20 0 HHADMP C[NH+]1CCCN(c2ccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000057174598 965326722 /nfs/dbraw/zinc/32/67/22/965326722.db2.gz JVCOTRUGAFLOIS-JOCHJYFZSA-N 2 1 406.574 3.679 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000537989289 1013563120 /nfs/dbraw/zinc/56/31/20/1013563120.db2.gz ALZXJSBTDDDEFU-SQJMNOBHSA-N 2 1 401.554 3.897 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)NC1CC[NH+](C2CC2)CC1 ZINC000057703057 965527535 /nfs/dbraw/zinc/52/75/35/965527535.db2.gz MDHZPRASAQTGJU-QFIPXVFZSA-N 2 1 424.614 3.774 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)NC1CC[NH+](C2CC2)CC1 ZINC000057703057 965527541 /nfs/dbraw/zinc/52/75/41/965527541.db2.gz MDHZPRASAQTGJU-QFIPXVFZSA-N 2 1 424.614 3.774 20 0 HHADMP Brc1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc2c1OCO2 ZINC000030909948 965829945 /nfs/dbraw/zinc/82/99/45/965829945.db2.gz XTRSKZTYQJTKIK-UHFFFAOYSA-N 2 1 417.347 3.975 20 0 HHADMP Cc1ccc(C)c(OCCC[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000538044540 1013616928 /nfs/dbraw/zinc/61/69/28/1013616928.db2.gz BEORSRJVJHIBSV-FGZHOGPDSA-N 2 1 404.595 3.663 20 0 HHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCCSCc3ccccc3)CC2)C[C@H](C)O1 ZINC000538045957 1013618659 /nfs/dbraw/zinc/61/86/59/1013618659.db2.gz RUJGZQZXKKIFDE-OYRHEFFESA-N 2 1 406.636 3.900 20 0 HHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCCSCc3ccccc3)CC2)C[C@H](C)O1 ZINC000538045957 1013618669 /nfs/dbraw/zinc/61/86/69/1013618669.db2.gz RUJGZQZXKKIFDE-OYRHEFFESA-N 2 1 406.636 3.900 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(OC)c1 ZINC000059951594 966045378 /nfs/dbraw/zinc/04/53/78/966045378.db2.gz JQHJMCZUVWFZAI-ZEQRLZLVSA-N 2 1 409.574 3.859 20 0 HHADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000542715714 1013628067 /nfs/dbraw/zinc/62/80/67/1013628067.db2.gz ZRUUMWGCJOYDKA-VQTJNVASSA-N 2 1 400.611 3.933 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)cn1 ZINC000056373365 966318118 /nfs/dbraw/zinc/31/81/18/966318118.db2.gz PWOOCDNZLAVKMD-UHFFFAOYSA-N 2 1 418.545 3.561 20 0 HHADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000061070522 966364515 /nfs/dbraw/zinc/36/45/15/966364515.db2.gz HUNVKMRBZXZAAM-QFIPXVFZSA-N 2 1 410.562 3.554 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCc3ccc(C[NH+](C)C)cc3)cc2)C1 ZINC000061469203 966472840 /nfs/dbraw/zinc/47/28/40/966472840.db2.gz BAVSOTAJLVWIRQ-HXUWFJFHSA-N 2 1 408.590 3.980 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000056950116 966527164 /nfs/dbraw/zinc/52/71/64/966527164.db2.gz UDQPSHCKOJWLHA-QFIPXVFZSA-N 2 1 400.542 3.768 20 0 HHADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000061788813 966553534 /nfs/dbraw/zinc/55/35/34/966553534.db2.gz JYVJRFJDUCHIKV-UHFFFAOYSA-N 2 1 416.635 3.965 20 0 HHADMP CC(C)(C)[N@H+]1CCCN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000061791635 966555558 /nfs/dbraw/zinc/55/55/58/966555558.db2.gz NNKBOAAEUUCJMQ-UHFFFAOYSA-N 2 1 404.624 3.616 20 0 HHADMP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000062500072 966692520 /nfs/dbraw/zinc/69/25/20/966692520.db2.gz CXIIOBMHVRAGPF-UHFFFAOYSA-N 2 1 402.970 3.545 20 0 HHADMP CC[NH+](CC)CCOc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1 ZINC000063113733 966756337 /nfs/dbraw/zinc/75/63/37/966756337.db2.gz YRXPYBFVHYLOOU-UHFFFAOYSA-N 2 1 424.520 3.970 20 0 HHADMP CC(C)(CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000063407507 966846635 /nfs/dbraw/zinc/84/66/35/966846635.db2.gz XCYKIYPNHHWWNT-UHFFFAOYSA-N 2 1 412.622 3.777 20 0 HHADMP CN(CCC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1cc[nH+]cc1 ZINC000542784824 1013681199 /nfs/dbraw/zinc/68/11/99/1013681199.db2.gz RCTRJUKKFBQFBB-HRAATJIYSA-N 2 1 404.917 3.510 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000042857781 966857816 /nfs/dbraw/zinc/85/78/16/966857816.db2.gz XMPMJHYVROPPIX-HXUWFJFHSA-N 2 1 419.569 3.651 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000042857781 966857825 /nfs/dbraw/zinc/85/78/25/966857825.db2.gz XMPMJHYVROPPIX-HXUWFJFHSA-N 2 1 419.569 3.651 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N(C)CC[N@H+](C)C3CCCCC3)cc2)C[C@@H](C)O1 ZINC000063771376 966952913 /nfs/dbraw/zinc/95/29/13/966952913.db2.gz NXRZUUNBHQTIEW-WOJBJXKFSA-N 2 1 401.595 3.632 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N(C)CC[N@@H+](C)C3CCCCC3)cc2)C[C@@H](C)O1 ZINC000063771376 966952920 /nfs/dbraw/zinc/95/29/20/966952920.db2.gz NXRZUUNBHQTIEW-WOJBJXKFSA-N 2 1 401.595 3.632 20 0 HHADMP C[C@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542830218 1013695909 /nfs/dbraw/zinc/69/59/09/1013695909.db2.gz WRJRGDVYSMYONG-MDKPJZGXSA-N 2 1 407.002 3.895 20 0 HHADMP C[C@@H]1CN(C(=O)c2ccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cc2)C[C@@H](C)O1 ZINC000542842968 1013703311 /nfs/dbraw/zinc/70/33/11/1013703311.db2.gz GMPOVEGAOQBSOK-WOJBJXKFSA-N 2 1 413.606 3.823 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(N2CCCC2=O)c1 ZINC000542848720 1013707731 /nfs/dbraw/zinc/70/77/31/1013707731.db2.gz AYGYBKIWHFLYSD-CYFREDJKSA-N 2 1 407.558 3.621 20 0 HHADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c(Br)c1 ZINC000542850553 1013709438 /nfs/dbraw/zinc/70/94/38/1013709438.db2.gz YXESRPITXBBMHA-QAPCUYQASA-N 2 1 419.363 3.875 20 0 HHADMP CN1CC[NH+](Cc2ccc(C(=O)Nc3cccc(C[NH+]4CCCCC4)c3)cc2)CC1 ZINC000065055718 967359467 /nfs/dbraw/zinc/35/94/67/967359467.db2.gz MKAHZUDTWRFCHN-UHFFFAOYSA-N 2 1 406.574 3.672 20 0 HHADMP CCc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000065274793 967423196 /nfs/dbraw/zinc/42/31/96/967423196.db2.gz GXISVCZXUAGJNH-DEOSSOPVSA-N 2 1 404.558 3.648 20 0 HHADMP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C1 ZINC000065549262 967514227 /nfs/dbraw/zinc/51/42/27/967514227.db2.gz IUCFPGDUJMHRTK-KRWDZBQOSA-N 2 1 422.564 3.739 20 0 HHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C1 ZINC000065549262 967514236 /nfs/dbraw/zinc/51/42/36/967514236.db2.gz IUCFPGDUJMHRTK-KRWDZBQOSA-N 2 1 422.564 3.739 20 0 HHADMP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000538167284 1013727781 /nfs/dbraw/zinc/72/77/81/1013727781.db2.gz BIADSYMNYYTWES-ROUUACIJSA-N 2 1 413.537 3.654 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000045789396 967553182 /nfs/dbraw/zinc/55/31/82/967553182.db2.gz GNFJNEBBPGXGST-NRFANRHFSA-N 2 1 412.622 3.936 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000542884855 1013732957 /nfs/dbraw/zinc/73/29/57/1013732957.db2.gz HNZJSZHYYGIMNR-KRWDZBQOSA-N 2 1 402.498 3.908 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)NCCCC[N@H+]3CCC[C@@H](C)C3)c(C)c2)CC1 ZINC000045976454 967614083 /nfs/dbraw/zinc/61/40/83/967614083.db2.gz PLJJBJKULWEYOQ-HXUWFJFHSA-N 2 1 415.626 3.771 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC(=O)Nc2cc(F)ccc2F)CC1 ZINC000538209562 1013763331 /nfs/dbraw/zinc/76/33/31/1013763331.db2.gz KUWFZQPRYVUOMB-OAHLLOKOSA-N 2 1 420.479 3.535 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000554031429 1013764334 /nfs/dbraw/zinc/76/43/34/1013764334.db2.gz GIBVMBRKYPKZHD-JSOTWZDUSA-N 2 1 420.548 3.757 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000554031429 1013764340 /nfs/dbraw/zinc/76/43/40/1013764340.db2.gz GIBVMBRKYPKZHD-JSOTWZDUSA-N 2 1 420.548 3.757 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2cc(OC)ncc2F)CC1 ZINC000554068730 1013784323 /nfs/dbraw/zinc/78/43/23/1013784323.db2.gz FHQMIEPVHIDZSB-HOTGVXAUSA-N 2 1 404.505 3.922 20 0 HHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccnn2Cc2ccccc2Cl)CC1 ZINC000047978198 968381547 /nfs/dbraw/zinc/38/15/47/968381547.db2.gz LOUOKEMVVDVTBJ-UHFFFAOYSA-N 2 1 417.985 3.577 20 0 HHADMP CCC(CC)n1nc(C)cc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000538291259 1013827178 /nfs/dbraw/zinc/82/71/78/1013827178.db2.gz QIRTUCPPVNEKJL-UHFFFAOYSA-N 2 1 417.642 3.821 20 0 HHADMP CC(C)c1ccc([C@H](NC(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C(C)C)cc1 ZINC000071952701 968904897 /nfs/dbraw/zinc/90/48/97/968904897.db2.gz CPANKDKSJQXGTE-RUZDIDTESA-N 2 1 415.622 3.668 20 0 HHADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000072097326 968990087 /nfs/dbraw/zinc/99/00/87/968990087.db2.gz VGDNWCRPXUNRME-LJQANCHMSA-N 2 1 423.557 3.629 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)cc2)CC1 ZINC000096626736 969049152 /nfs/dbraw/zinc/04/91/52/969049152.db2.gz BLMYSAOCTZYVNX-OAQYLSRUSA-N 2 1 424.564 3.818 20 0 HHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000097598782 969176778 /nfs/dbraw/zinc/17/67/78/969176778.db2.gz BOLHKJKQBJYIJJ-OFVILXPXSA-N 2 1 421.585 3.578 20 0 HHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000097598782 969176783 /nfs/dbraw/zinc/17/67/83/969176783.db2.gz BOLHKJKQBJYIJJ-OFVILXPXSA-N 2 1 421.585 3.578 20 0 HHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000097598782 969176788 /nfs/dbraw/zinc/17/67/88/969176788.db2.gz BOLHKJKQBJYIJJ-OFVILXPXSA-N 2 1 421.585 3.578 20 0 HHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000097598782 969176792 /nfs/dbraw/zinc/17/67/92/969176792.db2.gz BOLHKJKQBJYIJJ-OFVILXPXSA-N 2 1 421.585 3.578 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000109120542 969464906 /nfs/dbraw/zinc/46/49/06/969464906.db2.gz FYRBYLABKHGUKX-YSFYHYPLSA-N 2 1 415.622 3.784 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000109120542 969464910 /nfs/dbraw/zinc/46/49/10/969464910.db2.gz FYRBYLABKHGUKX-YSFYHYPLSA-N 2 1 415.622 3.784 20 0 HHADMP CC(C)[NH+]1CCN(c2ccc(C(=O)N(C)CC[N@@H+](C)C3CCCCC3)cc2)CC1 ZINC000109899821 969590190 /nfs/dbraw/zinc/59/01/90/969590190.db2.gz CENCLGBAAQTCNH-UHFFFAOYSA-N 2 1 400.611 3.554 20 0 HHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2ccnn2C2CCCC2)CC1 ZINC000110790742 969723965 /nfs/dbraw/zinc/72/39/65/969723965.db2.gz NCQKQSGRZJPGKR-UHFFFAOYSA-N 2 1 409.578 3.781 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2ccnn2C2CCCC2)CC1 ZINC000110790742 969723969 /nfs/dbraw/zinc/72/39/69/969723969.db2.gz NCQKQSGRZJPGKR-UHFFFAOYSA-N 2 1 409.578 3.781 20 0 HHADMP C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000110798232 969724733 /nfs/dbraw/zinc/72/47/33/969724733.db2.gz LUBUYOLPYIHKPW-LJQANCHMSA-N 2 1 411.615 3.865 20 0 HHADMP CCN1CC[NH+](CCCC[NH2+]Cc2c(C)nn(-c3cc(C)ccc3C)c2Cl)CC1 ZINC000236940318 970190832 /nfs/dbraw/zinc/19/08/32/970190832.db2.gz UCPMXMJPSJLKSV-UHFFFAOYSA-N 2 1 418.029 3.958 20 0 HHADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)c1 ZINC000236982056 970200394 /nfs/dbraw/zinc/20/03/94/970200394.db2.gz QBELHABCXCGBFQ-UHFFFAOYSA-N 2 1 411.527 3.769 20 0 HHADMP CCc1[nH+]c2ccccc2c(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)c1C ZINC000554475912 1013962549 /nfs/dbraw/zinc/96/25/49/1013962549.db2.gz SZHCMHIPKMOAOC-UHFFFAOYSA-N 2 1 408.590 3.876 20 0 HHADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000237131368 970228669 /nfs/dbraw/zinc/22/86/69/970228669.db2.gz FEAFPTHQNAIFMX-CQSZACIVSA-N 2 1 413.909 3.745 20 0 HHADMP COc1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cc2c1OCCO2 ZINC000237210561 970242178 /nfs/dbraw/zinc/24/21/78/970242178.db2.gz QKQVMKGUGURAJR-UHFFFAOYSA-N 2 1 408.498 3.981 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000237501828 970302893 /nfs/dbraw/zinc/30/28/93/970302893.db2.gz OXILYMUJEOKEGE-IBGZPJMESA-N 2 1 412.578 3.993 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)C1 ZINC000237523197 970307945 /nfs/dbraw/zinc/30/79/45/970307945.db2.gz GCJMUSIZJNIMLS-OAQYLSRUSA-N 2 1 405.586 3.856 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000554548745 1013975568 /nfs/dbraw/zinc/97/55/68/1013975568.db2.gz HPZPOVPVKMSBML-QGZVFWFLSA-N 2 1 423.026 3.757 20 0 HHADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000237709008 970345151 /nfs/dbraw/zinc/34/51/51/970345151.db2.gz KSPMERHMKUNYIK-UHFFFAOYSA-N 2 1 404.558 3.784 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3(c4ccccc4)CC[NH2+]CC3)cc2)C1 ZINC000237740723 970351309 /nfs/dbraw/zinc/35/13/09/970351309.db2.gz QUQMYBUXAPNVON-NRFANRHFSA-N 2 1 405.586 3.856 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000554575219 1013980735 /nfs/dbraw/zinc/98/07/35/1013980735.db2.gz BKPOTXYVJTWGTB-NFBKMPQASA-N 2 1 400.611 3.659 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000554575219 1013980738 /nfs/dbraw/zinc/98/07/38/1013980738.db2.gz BKPOTXYVJTWGTB-NFBKMPQASA-N 2 1 400.611 3.659 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000554575219 1013980739 /nfs/dbraw/zinc/98/07/39/1013980739.db2.gz BKPOTXYVJTWGTB-NFBKMPQASA-N 2 1 400.611 3.659 20 0 HHADMP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cccc(Cl)c3Cl)c2)C1 ZINC000237934671 970398821 /nfs/dbraw/zinc/39/88/21/970398821.db2.gz CXCSIMVOSJQJPR-SFHVURJKSA-N 2 1 406.357 3.981 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(Cl)c3Cl)c2)C1 ZINC000237934671 970398832 /nfs/dbraw/zinc/39/88/32/970398832.db2.gz CXCSIMVOSJQJPR-SFHVURJKSA-N 2 1 406.357 3.981 20 0 HHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000237965356 970407595 /nfs/dbraw/zinc/40/75/95/970407595.db2.gz VXPAOSTZLOWXKW-DEOSSOPVSA-N 2 1 404.558 3.866 20 0 HHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000554779790 1014045548 /nfs/dbraw/zinc/04/55/48/1014045548.db2.gz KNYPTCMEPHOHQV-HSZRJFAPSA-N 2 1 410.562 3.928 20 0 HHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000554779790 1014045549 /nfs/dbraw/zinc/04/55/49/1014045549.db2.gz KNYPTCMEPHOHQV-HSZRJFAPSA-N 2 1 410.562 3.928 20 0 HHADMP COC[C@]1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000309673074 972618101 /nfs/dbraw/zinc/61/81/01/972618101.db2.gz LAYMEKFRFQNKML-XMMPIXPASA-N 2 1 417.594 3.657 20 0 HHADMP CCOc1c(Br)cc(C[NH2+]CCn2cc[nH+]c2C)cc1Br ZINC000314727084 972641254 /nfs/dbraw/zinc/64/12/54/972641254.db2.gz WLJQNWKCKAKJRI-UHFFFAOYSA-N 2 1 417.145 3.905 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000398164276 972877207 /nfs/dbraw/zinc/87/72/07/972877207.db2.gz SRXLERZEWMWTEX-MAODMQOUSA-N 2 1 403.364 3.983 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[NH+](C)C ZINC000410314052 973858627 /nfs/dbraw/zinc/85/86/27/973858627.db2.gz CHDNJTDPCUWEBE-QHCPKHFHSA-N 2 1 424.589 3.570 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000410356482 973947132 /nfs/dbraw/zinc/94/71/32/973947132.db2.gz XDLCHZRQXPYBMG-HXUWFJFHSA-N 2 1 400.611 3.838 20 0 HHADMP CC1CC[NH+](CCCNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000410365046 973959063 /nfs/dbraw/zinc/95/90/63/973959063.db2.gz CKFISQMPGGHJOR-NRFANRHFSA-N 2 1 400.611 3.982 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000410381831 973980286 /nfs/dbraw/zinc/98/02/86/973980286.db2.gz KZDIXQJRTVYUBI-XMMPIXPASA-N 2 1 408.590 3.991 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000410381831 973980296 /nfs/dbraw/zinc/98/02/96/973980296.db2.gz KZDIXQJRTVYUBI-XMMPIXPASA-N 2 1 408.590 3.991 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000410381831 973980310 /nfs/dbraw/zinc/98/03/10/973980310.db2.gz KZDIXQJRTVYUBI-XMMPIXPASA-N 2 1 408.590 3.991 20 0 HHADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc(N2CCCC2)n1 ZINC000426285427 974371689 /nfs/dbraw/zinc/37/16/89/974371689.db2.gz BDEYYXKGLRZYCM-OEMFJLHTSA-N 2 1 405.590 3.776 20 0 HHADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc(N2CCCC2)n1 ZINC000426285427 974371695 /nfs/dbraw/zinc/37/16/95/974371695.db2.gz BDEYYXKGLRZYCM-OEMFJLHTSA-N 2 1 405.590 3.776 20 0 HHADMP CSc1cccc(NC(=O)C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000426805797 974674375 /nfs/dbraw/zinc/67/43/75/974674375.db2.gz FSGUNDSRAPMMIX-ROUUACIJSA-N 2 1 405.608 3.558 20 0 HHADMP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000426823835 974689513 /nfs/dbraw/zinc/68/95/13/974689513.db2.gz FBPFLDARXGUDBN-OALUTQOASA-N 2 1 402.579 3.999 20 0 HHADMP C[C@@H](NC(=O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(Cl)cc1 ZINC000426826475 974691100 /nfs/dbraw/zinc/69/11/00/974691100.db2.gz OVAIBEVAQZKBIL-CEXWTWQISA-N 2 1 422.013 3.729 20 0 HHADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000426828892 974693887 /nfs/dbraw/zinc/69/38/87/974693887.db2.gz XDZMWJNZRIXQDW-FHWLQOOXSA-N 2 1 405.558 3.672 20 0 HHADMP CCC[N@H+](Cc1cc(C(=O)OC)oc1CC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000427024650 974835561 /nfs/dbraw/zinc/83/55/61/974835561.db2.gz XDNVABGHTFVMFZ-UHFFFAOYSA-N 2 1 414.550 3.916 20 0 HHADMP CCC[N@@H+](Cc1cc(C(=O)OC)oc1CC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000427024650 974835564 /nfs/dbraw/zinc/83/55/64/974835564.db2.gz XDNVABGHTFVMFZ-UHFFFAOYSA-N 2 1 414.550 3.916 20 0 HHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@]3(Cc4ccc(F)cc4)CCC[C@@H]3O)sc2C1 ZINC000428574896 975886865 /nfs/dbraw/zinc/88/68/65/975886865.db2.gz SKKPZDZAEQNKDW-GMAHTHKFSA-N 2 1 417.594 3.912 20 0 HHADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@]3(Cc4ccc(F)cc4)CCC[C@@H]3O)sc2C1 ZINC000428574896 975886874 /nfs/dbraw/zinc/88/68/74/975886874.db2.gz SKKPZDZAEQNKDW-GMAHTHKFSA-N 2 1 417.594 3.912 20 0 HHADMP C[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000428753113 976026310 /nfs/dbraw/zinc/02/63/10/976026310.db2.gz MDWVWKDXYQRGLK-LGVFNWMJSA-N 2 1 408.590 3.859 20 0 HHADMP C[C@H](CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000428753113 976026320 /nfs/dbraw/zinc/02/63/20/976026320.db2.gz MDWVWKDXYQRGLK-LGVFNWMJSA-N 2 1 408.590 3.859 20 0 HHADMP C[C@H](CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000428753113 976026341 /nfs/dbraw/zinc/02/63/41/976026341.db2.gz MDWVWKDXYQRGLK-LGVFNWMJSA-N 2 1 408.590 3.859 20 0 HHADMP C[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000428753112 976026964 /nfs/dbraw/zinc/02/69/64/976026964.db2.gz MDWVWKDXYQRGLK-IMSXRSKXSA-N 2 1 408.590 3.859 20 0 HHADMP C[C@H](CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000428753112 976026975 /nfs/dbraw/zinc/02/69/75/976026975.db2.gz MDWVWKDXYQRGLK-IMSXRSKXSA-N 2 1 408.590 3.859 20 0 HHADMP C[C@H](CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000428753112 976026991 /nfs/dbraw/zinc/02/69/91/976026991.db2.gz MDWVWKDXYQRGLK-IMSXRSKXSA-N 2 1 408.590 3.859 20 0 HHADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1CSCC[NH+]1Cc1ccccc1 ZINC000428762534 976034294 /nfs/dbraw/zinc/03/42/94/976034294.db2.gz UGARCKKKXPGKIZ-IFMALSPDSA-N 2 1 418.651 3.558 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1CSCC[NH+]1Cc1ccccc1 ZINC000428762534 976034309 /nfs/dbraw/zinc/03/43/09/976034309.db2.gz UGARCKKKXPGKIZ-IFMALSPDSA-N 2 1 418.651 3.558 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000428762534 976034323 /nfs/dbraw/zinc/03/43/23/976034323.db2.gz UGARCKKKXPGKIZ-IFMALSPDSA-N 2 1 418.651 3.558 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000428762534 976034333 /nfs/dbraw/zinc/03/43/33/976034333.db2.gz UGARCKKKXPGKIZ-IFMALSPDSA-N 2 1 418.651 3.558 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000428856516 976146686 /nfs/dbraw/zinc/14/66/86/976146686.db2.gz NILJXYSBCAISAV-GMAHTHKFSA-N 2 1 400.611 3.995 20 0 HHADMP Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000428900507 976202582 /nfs/dbraw/zinc/20/25/82/976202582.db2.gz HVNCBYOTCPNANS-RBBKRZOGSA-N 2 1 424.589 3.968 20 0 HHADMP C[C@@H]1C[NH+](CCC2CCN(C(=O)NCCCC[N@H+]3CCCC[C@H]3C)CC2)C[C@@H](C)O1 ZINC000428921917 976222087 /nfs/dbraw/zinc/22/20/87/976222087.db2.gz ONFOYINVWIBYKE-YPAWHYETSA-N 2 1 422.658 3.562 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000429068008 976353745 /nfs/dbraw/zinc/35/37/45/976353745.db2.gz BHTAPUNCWHYUDQ-YOSAUDMPSA-N 2 1 421.589 3.742 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000429079313 976364186 /nfs/dbraw/zinc/36/41/86/976364186.db2.gz AGZYRCAIKPQHBB-URXFXBBRSA-N 2 1 405.586 3.925 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000429245101 976534166 /nfs/dbraw/zinc/53/41/66/976534166.db2.gz IWUXFGACOSWQHF-GOSISDBHSA-N 2 1 424.467 3.862 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000429245101 976534174 /nfs/dbraw/zinc/53/41/74/976534174.db2.gz IWUXFGACOSWQHF-GOSISDBHSA-N 2 1 424.467 3.862 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000429245290 976534535 /nfs/dbraw/zinc/53/45/35/976534535.db2.gz OIRYGMPXFKNJSM-GOSISDBHSA-N 2 1 408.468 3.982 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000429245290 976534544 /nfs/dbraw/zinc/53/45/44/976534544.db2.gz OIRYGMPXFKNJSM-GOSISDBHSA-N 2 1 408.468 3.982 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000429250344 976539237 /nfs/dbraw/zinc/53/92/37/976539237.db2.gz XGDOTOLZJNDVIE-INIZCTEOSA-N 2 1 408.949 3.997 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000429250344 976539248 /nfs/dbraw/zinc/53/92/48/976539248.db2.gz XGDOTOLZJNDVIE-INIZCTEOSA-N 2 1 408.949 3.997 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1Br ZINC000429254246 976542471 /nfs/dbraw/zinc/54/24/71/976542471.db2.gz MLQOVLYGMBKTIW-HNNXBMFYSA-N 2 1 407.356 3.947 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1Br ZINC000429254246 976542481 /nfs/dbraw/zinc/54/24/81/976542481.db2.gz MLQOVLYGMBKTIW-HNNXBMFYSA-N 2 1 407.356 3.947 20 0 HHADMP CC[C@@H](Oc1cccc(C)c1)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430666824 977678692 /nfs/dbraw/zinc/67/86/92/977678692.db2.gz DJHGTGCHUDHYGI-XMMPIXPASA-N 2 1 415.622 3.807 20 0 HHADMP COc1ccc([C@@H](C)CC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000430671159 977682026 /nfs/dbraw/zinc/68/20/26/977682026.db2.gz PLEXFIVQRZRBRE-FQEVSTJZSA-N 2 1 415.622 3.844 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000430673786 977684726 /nfs/dbraw/zinc/68/47/26/977684726.db2.gz GHDDDBVTSIRVHR-RSXGOPAZSA-N 2 1 409.618 3.545 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1csc(C(C)(C)C)n1 ZINC000430678836 977688946 /nfs/dbraw/zinc/68/89/46/977688946.db2.gz OEPYAIODGYWTOJ-UHFFFAOYSA-N 2 1 406.640 3.709 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cccc(OC(F)F)c1 ZINC000430681031 977691861 /nfs/dbraw/zinc/69/18/61/977691861.db2.gz ZZHNAOBKWNPNDH-UHFFFAOYSA-N 2 1 409.521 3.556 20 0 HHADMP CCn1cc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c2ccccc21 ZINC000430685172 977694070 /nfs/dbraw/zinc/69/40/70/977694070.db2.gz PRWAJVVYPJHMSC-UHFFFAOYSA-N 2 1 410.606 3.930 20 0 HHADMP Cc1cccc2[nH]cc(CC(=O)N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)c21 ZINC000430687435 977696154 /nfs/dbraw/zinc/69/61/54/977696154.db2.gz QVSFQMVWNAPCDT-UHFFFAOYSA-N 2 1 410.606 3.674 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCSC2(CCCCC2)C1 ZINC000430758650 977734633 /nfs/dbraw/zinc/73/46/33/977734633.db2.gz BAQRLWDXRAHZKY-FQEVSTJZSA-N 2 1 415.647 3.907 20 0 HHADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(F)c1 ZINC000430944387 977905383 /nfs/dbraw/zinc/90/53/83/977905383.db2.gz LVRAWWYRUPCFTR-IBGZPJMESA-N 2 1 418.601 3.589 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC[C@H](c2cccs2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000430978964 977924910 /nfs/dbraw/zinc/92/49/10/977924910.db2.gz MIRSIKJZNCOZIC-MISYRCLQSA-N 2 1 400.592 3.703 20 0 HHADMP Cc1nc(-c2ccccc2)oc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431009825 977953721 /nfs/dbraw/zinc/95/37/21/977953721.db2.gz KYMLMIOUMWAYNI-UHFFFAOYSA-N 2 1 424.589 3.918 20 0 HHADMP Cc1c(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cnc2ccccc12 ZINC000431055500 977984729 /nfs/dbraw/zinc/98/47/29/977984729.db2.gz XTCPFWQMMTYWRB-UHFFFAOYSA-N 2 1 408.590 3.812 20 0 HHADMP CC(C)Oc1ncccc1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431085230 978009990 /nfs/dbraw/zinc/00/99/90/978009990.db2.gz NGSLOEFHKHKEBS-UHFFFAOYSA-N 2 1 417.598 3.529 20 0 HHADMP CCc1ccc(CCNC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000431663165 978420277 /nfs/dbraw/zinc/42/02/77/978420277.db2.gz HIFZCYQCMDSTAI-UHFFFAOYSA-N 2 1 414.638 3.629 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000431698101 978442884 /nfs/dbraw/zinc/44/28/84/978442884.db2.gz KUIGIWWJRQPPSQ-GBXCKJPGSA-N 2 1 408.590 3.991 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000431698101 978442887 /nfs/dbraw/zinc/44/28/87/978442887.db2.gz KUIGIWWJRQPPSQ-GBXCKJPGSA-N 2 1 408.590 3.991 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000431698101 978442890 /nfs/dbraw/zinc/44/28/90/978442890.db2.gz KUIGIWWJRQPPSQ-GBXCKJPGSA-N 2 1 408.590 3.991 20 0 HHADMP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000431786612 978513018 /nfs/dbraw/zinc/51/30/18/978513018.db2.gz SZVNIOMHAMQKNE-MBSDFSHPSA-N 2 1 416.585 3.552 20 0 HHADMP CCc1ccc([C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[NH+](CC)CC)cc1 ZINC000431976365 978626821 /nfs/dbraw/zinc/62/68/21/978626821.db2.gz CJOBUZLBWSJXPO-WVUPVLJSSA-N 2 1 400.611 3.946 20 0 HHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432344572 978769090 /nfs/dbraw/zinc/76/90/90/978769090.db2.gz DUGBGPBPDNJGDO-QGZVFWFLSA-N 2 1 404.986 3.792 20 0 HHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432344572 978769092 /nfs/dbraw/zinc/76/90/92/978769092.db2.gz DUGBGPBPDNJGDO-QGZVFWFLSA-N 2 1 404.986 3.792 20 0 HHADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CCCO1 ZINC000432356608 978775353 /nfs/dbraw/zinc/77/53/53/978775353.db2.gz IOHOYWMCZDMVTK-HXUWFJFHSA-N 2 1 405.546 3.525 20 0 HHADMP O[C@]1(C[NH2+]C2CC(c3cccc(Br)c3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000432423734 978805826 /nfs/dbraw/zinc/80/58/26/978805826.db2.gz ZPOWODBJFLKYLN-VTLFHKLASA-N 2 1 415.375 3.922 20 0 HHADMP O[C@]1(C[NH2+]C2CC(c3cccc(Br)c3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000432423734 978805833 /nfs/dbraw/zinc/80/58/33/978805833.db2.gz ZPOWODBJFLKYLN-VTLFHKLASA-N 2 1 415.375 3.922 20 0 HHADMP C[C@H]1CN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC[N@@H+](C2CCC2)C1 ZINC000432754846 978960073 /nfs/dbraw/zinc/96/00/73/978960073.db2.gz OZYSJKQZCREBCQ-GOSISDBHSA-N 2 1 402.608 3.574 20 0 HHADMP C[C@H]1CN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC[N@H+](C2CCC2)C1 ZINC000432754846 978960076 /nfs/dbraw/zinc/96/00/76/978960076.db2.gz OZYSJKQZCREBCQ-GOSISDBHSA-N 2 1 402.608 3.574 20 0 HHADMP Cn1cc(Br)c(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000432770549 978968822 /nfs/dbraw/zinc/96/88/22/978968822.db2.gz HRBDERUETHJGMP-UHFFFAOYSA-N 2 1 403.368 3.671 20 0 HHADMP Cn1cc(Br)c(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000432770549 978968825 /nfs/dbraw/zinc/96/88/25/978968825.db2.gz HRBDERUETHJGMP-UHFFFAOYSA-N 2 1 403.368 3.671 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)[C@@H]2C)CC1 ZINC000432835932 978987854 /nfs/dbraw/zinc/98/78/54/978987854.db2.gz KFXTUMYQCFGJES-OFVILXPXSA-N 2 1 405.586 3.954 20 0 HHADMP COc1cc(C[NH+](C)C[C@H]2CCCC[C@H]2O)cc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)c1 ZINC000432854934 978992991 /nfs/dbraw/zinc/99/29/91/978992991.db2.gz SYZMCABGHFYEJR-VYJUTURXSA-N 2 1 418.622 3.661 20 0 HHADMP COc1cc(C[NH+](C)C[C@@H]2CCCC[C@@H]2O)cc(C[N@H+](C)C[C@H]2CCCC[C@H]2O)c1 ZINC000432854934 978992993 /nfs/dbraw/zinc/99/29/93/978992993.db2.gz SYZMCABGHFYEJR-VYJUTURXSA-N 2 1 418.622 3.661 20 0 HHADMP COc1cc(C[NH+](C)C[C@@H]2CCCC[C@@H]2O)cc(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)c1 ZINC000432854934 978992996 /nfs/dbraw/zinc/99/29/96/978992996.db2.gz SYZMCABGHFYEJR-VYJUTURXSA-N 2 1 418.622 3.661 20 0 HHADMP CC(C)[NH+](Cc1cc(Br)ccc1C[N@H+](C[C@@H](C)O)C(C)C)C[C@@H](C)O ZINC000432963144 979026230 /nfs/dbraw/zinc/02/62/30/979026230.db2.gz ZKBUREPQJRYOAR-IAGOWNOFSA-N 2 1 415.416 3.632 20 0 HHADMP CC(C)[NH+](Cc1ccc(Br)cc1C[N@H+](C[C@@H](C)O)C(C)C)C[C@@H](C)O ZINC000432963144 979026235 /nfs/dbraw/zinc/02/62/35/979026235.db2.gz ZKBUREPQJRYOAR-IAGOWNOFSA-N 2 1 415.416 3.632 20 0 HHADMP CC(C)[NH+](Cc1ccc(Br)cc1C[N@@H+](C[C@@H](C)O)C(C)C)C[C@@H](C)O ZINC000432963144 979026239 /nfs/dbraw/zinc/02/62/39/979026239.db2.gz ZKBUREPQJRYOAR-IAGOWNOFSA-N 2 1 415.416 3.632 20 0 HHADMP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)NCc1cccc(Cl)c1 ZINC000433051877 979053002 /nfs/dbraw/zinc/05/30/02/979053002.db2.gz JFINLBNQHUNBNW-UHFFFAOYSA-N 2 1 411.977 3.944 20 0 HHADMP CC1CC[NH+](CCc2cccc(NC(=O)NCCC[N@H+]3CCCO[C@@H](C)C3)c2)CC1 ZINC000433094726 979069857 /nfs/dbraw/zinc/06/98/57/979069857.db2.gz YEAIMARMTYGVKF-NRFANRHFSA-N 2 1 416.610 3.583 20 0 HHADMP CCOc1cccc(CNC(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433117572 979080978 /nfs/dbraw/zinc/08/09/78/979080978.db2.gz UVKPRJWKTHHMSY-UHFFFAOYSA-N 2 1 421.585 3.690 20 0 HHADMP COc1cc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc(OC)c1 ZINC000433118547 979081912 /nfs/dbraw/zinc/08/19/12/979081912.db2.gz XLNOJQOJTRQVLR-UHFFFAOYSA-N 2 1 423.557 3.630 20 0 HHADMP COc1cc(NC(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc(OC)c1 ZINC000433118547 979081918 /nfs/dbraw/zinc/08/19/18/979081918.db2.gz XLNOJQOJTRQVLR-UHFFFAOYSA-N 2 1 423.557 3.630 20 0 HHADMP CC(=O)c1cccc(OC[C@@H](O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433125928 979086476 /nfs/dbraw/zinc/08/64/76/979086476.db2.gz AOCAPWMPOZLDCS-DEOSSOPVSA-N 2 1 422.569 3.617 20 0 HHADMP C[C@H](C(=O)NCc1ccccc1F)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433181805 979124302 /nfs/dbraw/zinc/12/43/02/979124302.db2.gz YUUXOILLXOJFKK-HXUWFJFHSA-N 2 1 409.549 3.819 20 0 HHADMP C[C@@H]1CN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC[N@H+](C2CCC2)C1 ZINC000433270368 979204954 /nfs/dbraw/zinc/20/49/54/979204954.db2.gz DFXBGHDSJYINGX-FQEVSTJZSA-N 2 1 414.594 3.889 20 0 HHADMP CC1CC[NH+](CCc2cccc(NC(=O)N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)CC1 ZINC000433588140 979406497 /nfs/dbraw/zinc/40/64/97/979406497.db2.gz UCHCCPMSIMINTJ-OYRHEFFESA-N 2 1 416.610 3.534 20 0 HHADMP CC1CC[NH+](CCc2cccc(NC(=O)N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)CC1 ZINC000433588140 979406500 /nfs/dbraw/zinc/40/65/00/979406500.db2.gz UCHCCPMSIMINTJ-OYRHEFFESA-N 2 1 416.610 3.534 20 0 HHADMP CN(C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434142050 979901874 /nfs/dbraw/zinc/90/18/74/979901874.db2.gz BFQZHOKWNHYKEF-DEOSSOPVSA-N 2 1 407.558 3.789 20 0 HHADMP Cc1nc(COc2ccc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)cc2)no1 ZINC000435054559 980599558 /nfs/dbraw/zinc/59/95/58/980599558.db2.gz DJYRWSKWCFTIAW-UHFFFAOYSA-N 2 1 407.518 3.869 20 0 HHADMP Cc1cc(NC(=O)NC2CC[NH+](C(C)C)CC2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435527169 980921028 /nfs/dbraw/zinc/92/10/28/980921028.db2.gz KUKNVGGZCLIQJV-QFIPXVFZSA-N 2 1 424.593 3.633 20 0 HHADMP Cc1cc(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435529315 980923612 /nfs/dbraw/zinc/92/36/12/980923612.db2.gz REHXLUIXCROLAO-RBBKRZOGSA-N 2 1 424.593 3.634 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc(C)nn1[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000435532016 980924761 /nfs/dbraw/zinc/92/47/61/980924761.db2.gz CVYSDTRZCMBWEA-FCHUYYIVSA-N 2 1 424.593 3.587 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(C)C(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435532016 980924763 /nfs/dbraw/zinc/92/47/63/980924763.db2.gz CVYSDTRZCMBWEA-FCHUYYIVSA-N 2 1 424.593 3.587 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(C)C(=O)Nc1cc(C)nn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000435532016 980924764 /nfs/dbraw/zinc/92/47/64/980924764.db2.gz CVYSDTRZCMBWEA-FCHUYYIVSA-N 2 1 424.593 3.587 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CC[C@H](Cc4ccccc4)C3)c2)C1 ZINC000436227601 981259274 /nfs/dbraw/zinc/25/92/74/981259274.db2.gz MPAKCKOJJDNPDK-NQHRYMMQSA-N 2 1 405.586 3.885 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CC[C@@H](Cc4ccccc4)C3)c2)C1 ZINC000436227599 981259478 /nfs/dbraw/zinc/25/94/78/981259478.db2.gz MPAKCKOJJDNPDK-FTBPSBKWSA-N 2 1 405.586 3.885 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000436660381 981496895 /nfs/dbraw/zinc/49/68/95/981496895.db2.gz SONQHCNXJQKDPE-KNQAVFIVSA-N 2 1 407.558 3.640 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3O)CC2)CC[N@H+]1Cc1ccccc1 ZINC000436660381 981496900 /nfs/dbraw/zinc/49/69/00/981496900.db2.gz SONQHCNXJQKDPE-KNQAVFIVSA-N 2 1 407.558 3.640 20 0 HHADMP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448209904 981623521 /nfs/dbraw/zinc/62/35/21/981623521.db2.gz VULBRYWCTIRLGF-DENIHFKCSA-N 2 1 416.635 3.618 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000448212810 981627021 /nfs/dbraw/zinc/62/70/21/981627021.db2.gz LYIHINVPFUMVQI-SPHCQZIESA-N 2 1 410.606 3.698 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000448212810 981627026 /nfs/dbraw/zinc/62/70/26/981627026.db2.gz LYIHINVPFUMVQI-SPHCQZIESA-N 2 1 410.606 3.698 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000448212810 981627030 /nfs/dbraw/zinc/62/70/30/981627030.db2.gz LYIHINVPFUMVQI-SPHCQZIESA-N 2 1 410.606 3.698 20 0 HHADMP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)C1 ZINC000448213361 981627881 /nfs/dbraw/zinc/62/78/81/981627881.db2.gz MDZDJRPGKIGADT-FQEVSTJZSA-N 2 1 423.605 3.816 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)C1 ZINC000448213361 981627889 /nfs/dbraw/zinc/62/78/89/981627889.db2.gz MDZDJRPGKIGADT-FQEVSTJZSA-N 2 1 423.605 3.816 20 0 HHADMP Cc1ccc2cc(C(=O)N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)ccc2n1 ZINC000448235835 981645377 /nfs/dbraw/zinc/64/53/77/981645377.db2.gz AMSQGLWDNRMGNL-UHFFFAOYSA-N 2 1 408.590 3.812 20 0 HHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000448364545 981725272 /nfs/dbraw/zinc/72/52/72/981725272.db2.gz GIQZYQRBNQFPFI-UHFFFAOYSA-N 2 1 413.566 3.627 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000448466730 981801908 /nfs/dbraw/zinc/80/19/08/981801908.db2.gz NTKUXFXDHBRYCJ-MZKRTTBSSA-N 2 1 400.611 3.933 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000448466730 981801923 /nfs/dbraw/zinc/80/19/23/981801923.db2.gz NTKUXFXDHBRYCJ-MZKRTTBSSA-N 2 1 400.611 3.933 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000448466730 981801933 /nfs/dbraw/zinc/80/19/33/981801933.db2.gz NTKUXFXDHBRYCJ-MZKRTTBSSA-N 2 1 400.611 3.933 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000448472119 981813141 /nfs/dbraw/zinc/81/31/41/981813141.db2.gz NNRRTMNVLASYNP-GOTSBHOMSA-N 2 1 400.611 3.518 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000448472119 981813150 /nfs/dbraw/zinc/81/31/50/981813150.db2.gz NNRRTMNVLASYNP-GOTSBHOMSA-N 2 1 400.611 3.518 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000448472119 981813161 /nfs/dbraw/zinc/81/31/61/981813161.db2.gz NNRRTMNVLASYNP-GOTSBHOMSA-N 2 1 400.611 3.518 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000448473739 981815300 /nfs/dbraw/zinc/81/53/00/981815300.db2.gz SZEASBLMIRMEOI-PKTZIBPZSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000448473739 981815309 /nfs/dbraw/zinc/81/53/09/981815309.db2.gz SZEASBLMIRMEOI-PKTZIBPZSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000448473739 981815320 /nfs/dbraw/zinc/81/53/20/981815320.db2.gz SZEASBLMIRMEOI-PKTZIBPZSA-N 2 1 400.611 3.660 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000448519548 981847388 /nfs/dbraw/zinc/84/73/88/981847388.db2.gz FCCXMRWXSFLTCV-KPDCDPCYSA-N 2 1 407.562 3.900 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000448519548 981847403 /nfs/dbraw/zinc/84/74/03/981847403.db2.gz FCCXMRWXSFLTCV-KPDCDPCYSA-N 2 1 407.562 3.900 20 0 HHADMP Cn1cc[nH+]c1CC1CCN(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000448520834 981849360 /nfs/dbraw/zinc/84/93/60/981849360.db2.gz MAFZFCVSCUWFDA-NQIIRXRSSA-N 2 1 415.607 3.529 20 0 HHADMP Cn1cc[nH+]c1CC1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000448520834 981849371 /nfs/dbraw/zinc/84/93/71/981849371.db2.gz MAFZFCVSCUWFDA-NQIIRXRSSA-N 2 1 415.607 3.529 20 0 HHADMP Cn1cc[nH+]c1CC1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000448520835 981849546 /nfs/dbraw/zinc/84/95/46/981849546.db2.gz MAFZFCVSCUWFDA-RXVVDRJESA-N 2 1 415.607 3.529 20 0 HHADMP Cn1cc[nH+]c1CC1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000448520835 981849559 /nfs/dbraw/zinc/84/95/59/981849559.db2.gz MAFZFCVSCUWFDA-RXVVDRJESA-N 2 1 415.607 3.529 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccco1 ZINC000460143487 981915483 /nfs/dbraw/zinc/91/54/83/981915483.db2.gz OUFAOHZLEGOQGG-DNVJHFABSA-N 2 1 424.589 3.826 20 0 HHADMP CC(C)[NH+](CCCNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)C(C)C ZINC000460403537 982184753 /nfs/dbraw/zinc/18/47/53/982184753.db2.gz ROJQMABVCUNKCE-GOTSBHOMSA-N 2 1 400.611 3.659 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)cc1 ZINC000460505432 982294196 /nfs/dbraw/zinc/29/41/96/982294196.db2.gz WZIKYXXBZCYPQO-UHFFFAOYSA-N 2 1 414.638 3.599 20 0 HHADMP CCC[N@H+](CC)Cc1ccc(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000460505432 982294201 /nfs/dbraw/zinc/29/42/01/982294201.db2.gz WZIKYXXBZCYPQO-UHFFFAOYSA-N 2 1 414.638 3.599 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000460505432 982294210 /nfs/dbraw/zinc/29/42/10/982294210.db2.gz WZIKYXXBZCYPQO-UHFFFAOYSA-N 2 1 414.638 3.599 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000437765328 982343039 /nfs/dbraw/zinc/34/30/39/982343039.db2.gz ONZMYYKJOUYBLT-OAQYLSRUSA-N 2 1 410.562 3.613 20 0 HHADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000437995066 982512861 /nfs/dbraw/zinc/51/28/61/982512861.db2.gz QTBXESNNOKHYTO-LJQANCHMSA-N 2 1 423.483 3.516 20 0 HHADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000437995066 982512870 /nfs/dbraw/zinc/51/28/70/982512870.db2.gz QTBXESNNOKHYTO-LJQANCHMSA-N 2 1 423.483 3.516 20 0 HHADMP CCOC(=O)Cn1nc(C)c(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1C ZINC000438117579 982596291 /nfs/dbraw/zinc/59/62/91/982596291.db2.gz OXAQTYOXVJBGME-SFHVURJKSA-N 2 1 404.599 3.540 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000438155828 982619721 /nfs/dbraw/zinc/61/97/21/982619721.db2.gz RPPMGCCWCBAQSX-LADGPHEKSA-N 2 1 412.622 3.947 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438155828 982619723 /nfs/dbraw/zinc/61/97/23/982619723.db2.gz RPPMGCCWCBAQSX-LADGPHEKSA-N 2 1 412.622 3.947 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438155828 982619726 /nfs/dbraw/zinc/61/97/26/982619726.db2.gz RPPMGCCWCBAQSX-LADGPHEKSA-N 2 1 412.622 3.947 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccnc(Oc2ccccc2)c1 ZINC000438502556 982843993 /nfs/dbraw/zinc/84/39/93/982843993.db2.gz CLRQYARVMVHFPE-FQEVSTJZSA-N 2 1 411.550 3.754 20 0 HHADMP C[C@@H]1CN(c2ccc(C[NH2+]C3CCC([N@@H+](C)Cc4ccccc4)CC3)cn2)CCO1 ZINC000438829406 983100623 /nfs/dbraw/zinc/10/06/23/983100623.db2.gz CHDITMOCZNDMDP-QUVATAORSA-N 2 1 408.590 3.840 20 0 HHADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000461442328 983107515 /nfs/dbraw/zinc/10/75/15/983107515.db2.gz GABWTDTZGSGUMC-OYRHQHFDSA-N 2 1 421.560 3.771 20 0 HHADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000461442328 983107521 /nfs/dbraw/zinc/10/75/21/983107521.db2.gz GABWTDTZGSGUMC-OYRHQHFDSA-N 2 1 421.560 3.771 20 0 HHADMP O=C([C@@H]1CCC[NH+]1Cc1ccc(F)cc1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461442328 983107527 /nfs/dbraw/zinc/10/75/27/983107527.db2.gz GABWTDTZGSGUMC-OYRHQHFDSA-N 2 1 421.560 3.771 20 0 HHADMP O=C([C@@H]1CCC[NH+]1Cc1ccc(F)cc1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461442328 983107550 /nfs/dbraw/zinc/10/75/50/983107550.db2.gz GABWTDTZGSGUMC-OYRHQHFDSA-N 2 1 421.560 3.771 20 0 HHADMP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461448408 983113996 /nfs/dbraw/zinc/11/39/96/983113996.db2.gz YDHSRGPVZITXQN-IZZNHLLZSA-N 2 1 417.597 3.879 20 0 HHADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000439199483 983307055 /nfs/dbraw/zinc/30/70/55/983307055.db2.gz NYZIMYYBHYGESP-XZOQPEGZSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000439199483 983307062 /nfs/dbraw/zinc/30/70/62/983307062.db2.gz NYZIMYYBHYGESP-XZOQPEGZSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000439199483 983307067 /nfs/dbraw/zinc/30/70/67/983307067.db2.gz NYZIMYYBHYGESP-XZOQPEGZSA-N 2 1 400.611 3.660 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCN(c2ccccc2F)C1=O ZINC000439599215 983466052 /nfs/dbraw/zinc/46/60/52/983466052.db2.gz SMCHRRQZLFCHES-JOCHJYFZSA-N 2 1 407.489 3.946 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000439733021 983518688 /nfs/dbraw/zinc/51/86/88/983518688.db2.gz MQNKPRUCBIPQHO-NTKDMRAZSA-N 2 1 424.564 3.917 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000439733021 983518690 /nfs/dbraw/zinc/51/86/90/983518690.db2.gz MQNKPRUCBIPQHO-NTKDMRAZSA-N 2 1 424.564 3.917 20 0 HHADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000440175742 983670269 /nfs/dbraw/zinc/67/02/69/983670269.db2.gz QDAWELMAPCIALX-HSZRJFAPSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000440816642 983919268 /nfs/dbraw/zinc/91/92/68/983919268.db2.gz NNKUASXCNOGOIK-RZFJCUDFSA-N 2 1 400.611 3.981 20 0 HHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000440826301 983925108 /nfs/dbraw/zinc/92/51/08/983925108.db2.gz MBOKWCGZNAQQPG-YGWXTMFKSA-N 2 1 400.611 3.981 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000441270455 984150473 /nfs/dbraw/zinc/15/04/73/984150473.db2.gz UIPYMHSULWZRKJ-ZFJSRUIDSA-N 2 1 423.557 3.991 20 0 HHADMP COc1cc(NC(=O)CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(OC)cc1Cl ZINC000441400843 984231887 /nfs/dbraw/zinc/23/18/87/984231887.db2.gz FFQSLVNKSMKELP-DNVCBOLYSA-N 2 1 421.969 3.635 20 0 HHADMP COc1cc(NC(=O)CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(OC)cc1Cl ZINC000441400843 984231892 /nfs/dbraw/zinc/23/18/92/984231892.db2.gz FFQSLVNKSMKELP-DNVCBOLYSA-N 2 1 421.969 3.635 20 0 HHADMP COc1cc(NC(=O)CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(OC)cc1Cl ZINC000441400843 984231895 /nfs/dbraw/zinc/23/18/95/984231895.db2.gz FFQSLVNKSMKELP-DNVCBOLYSA-N 2 1 421.969 3.635 20 0 HHADMP COc1cc(NC(=O)CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(OC)cc1Cl ZINC000441400843 984231900 /nfs/dbraw/zinc/23/19/00/984231900.db2.gz FFQSLVNKSMKELP-DNVCBOLYSA-N 2 1 421.969 3.635 20 0 HHADMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)Nc1ccc(Br)cc1F ZINC000441445401 984255014 /nfs/dbraw/zinc/25/50/14/984255014.db2.gz ITBTWHUWEDYZEM-HNNXBMFYSA-N 2 1 412.347 3.725 20 0 HHADMP C[NH+](C)CC1CCC(NC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000441531444 984307121 /nfs/dbraw/zinc/30/71/21/984307121.db2.gz IJUBNQPIHRANJO-UHFFFAOYSA-N 2 1 407.002 3.678 20 0 HHADMP C[NH+](C)CC1CCC(NC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000441531444 984307123 /nfs/dbraw/zinc/30/71/23/984307123.db2.gz IJUBNQPIHRANJO-UHFFFAOYSA-N 2 1 407.002 3.678 20 0 HHADMP C[N@@H+](C[C@H](O)COCc1ccccc1Cl)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000441612419 984355552 /nfs/dbraw/zinc/35/55/52/984355552.db2.gz PCPMGQAPLUOHON-IRLDBZIGSA-N 2 1 402.966 3.671 20 0 HHADMP C[NH+](C[C@H](O)COCc1ccccc1Cl)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000441612419 984355556 /nfs/dbraw/zinc/35/55/56/984355556.db2.gz PCPMGQAPLUOHON-IRLDBZIGSA-N 2 1 402.966 3.671 20 0 HHADMP C[NH+](C[C@H](O)COCc1ccccc1Cl)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000441612419 984355560 /nfs/dbraw/zinc/35/55/60/984355560.db2.gz PCPMGQAPLUOHON-IRLDBZIGSA-N 2 1 402.966 3.671 20 0 HHADMP CCC1(CNC(=O)c2cc(C[NH+]3CCCC3)on2)CC[NH+](Cc2ccccc2)CC1 ZINC000462261783 985249561 /nfs/dbraw/zinc/24/95/61/985249561.db2.gz WWELCOCQKQOKKC-UHFFFAOYSA-N 2 1 410.562 3.693 20 0 HHADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000442864748 985250539 /nfs/dbraw/zinc/25/05/39/985250539.db2.gz AMKSELGLIGXTSV-FQEVSTJZSA-N 2 1 421.589 3.590 20 0 HHADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CC1(C)C ZINC000442872196 985253482 /nfs/dbraw/zinc/25/34/82/985253482.db2.gz HPHWDCPKENXSPC-QGZVFWFLSA-N 2 1 400.792 3.705 20 0 HHADMP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)CCC3)cc1 ZINC000442874502 985254726 /nfs/dbraw/zinc/25/47/26/985254726.db2.gz QQEJRDRAXUIPLG-LJQANCHMSA-N 2 1 414.619 3.812 20 0 HHADMP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)CCC3)cc1 ZINC000442874498 985254841 /nfs/dbraw/zinc/25/48/41/985254841.db2.gz QQEJRDRAXUIPLG-IBGZPJMESA-N 2 1 414.619 3.812 20 0 HHADMP O=C(c1cc(C[NH+]2CCCC2)on1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000462272061 985262082 /nfs/dbraw/zinc/26/20/82/985262082.db2.gz VATSCSPQCLFYFY-UHFFFAOYSA-N 2 1 416.953 3.662 20 0 HHADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)C1 ZINC000442963932 985305438 /nfs/dbraw/zinc/30/54/38/985305438.db2.gz HWSPRYSMTNVBPM-TZBSWOFLSA-N 2 1 406.574 3.911 20 0 HHADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)C1 ZINC000442963932 985305443 /nfs/dbraw/zinc/30/54/43/985305443.db2.gz HWSPRYSMTNVBPM-TZBSWOFLSA-N 2 1 406.574 3.911 20 0 HHADMP O=C(CC[N@H+]1CCc2ccccc2C1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000468106927 985767484 /nfs/dbraw/zinc/76/74/84/985767484.db2.gz VQERWMVAPAQKTP-UHFFFAOYSA-N 2 1 409.599 3.665 20 0 HHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000443635394 985816434 /nfs/dbraw/zinc/81/64/34/985816434.db2.gz YCWJHWSSSYWQHN-QPPBQGQZSA-N 2 1 414.638 3.703 20 0 HHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000463008318 985961578 /nfs/dbraw/zinc/96/15/78/985961578.db2.gz GRMSLWYFZDXLKE-HYBUGGRVSA-N 2 1 408.590 3.800 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463077162 986035264 /nfs/dbraw/zinc/03/52/64/986035264.db2.gz GQDMRIMMMKFFSA-CKUXNOBLSA-N 2 1 407.558 3.947 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463077162 986035277 /nfs/dbraw/zinc/03/52/77/986035277.db2.gz GQDMRIMMMKFFSA-CKUXNOBLSA-N 2 1 407.558 3.947 20 0 HHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nc3ccc(Br)cc3o2)CC1 ZINC000463096204 986055137 /nfs/dbraw/zinc/05/51/37/986055137.db2.gz ZWUVVAMJXLMPCR-UHFFFAOYSA-N 2 1 410.356 3.913 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@H]3Cc3ccccc3)c2)C1 ZINC000468429567 986127991 /nfs/dbraw/zinc/12/79/91/986127991.db2.gz QCKOMILIRVIWLB-GVAUOCQISA-N 2 1 405.586 3.885 20 0 HHADMP FC(F)(F)c1ncc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000443979400 986184401 /nfs/dbraw/zinc/18/44/01/986184401.db2.gz NNLFUILBBRSGBI-UHFFFAOYSA-N 2 1 412.525 3.850 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463250084 986218589 /nfs/dbraw/zinc/21/85/89/986218589.db2.gz YYFIWXTWYPOGCX-VQIMIIECSA-N 2 1 406.979 3.886 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000463250084 986218602 /nfs/dbraw/zinc/21/86/02/986218602.db2.gz YYFIWXTWYPOGCX-VQIMIIECSA-N 2 1 406.979 3.886 20 0 HHADMP Cc1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)N2CCOCC2)o1 ZINC000463296379 986263935 /nfs/dbraw/zinc/26/39/35/986263935.db2.gz TWAOMTWZLAFZLU-NHYNNZIHSA-N 2 1 409.574 3.747 20 0 HHADMP Cc1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)N2CCOCC2)o1 ZINC000463296379 986263943 /nfs/dbraw/zinc/26/39/43/986263943.db2.gz TWAOMTWZLAFZLU-NHYNNZIHSA-N 2 1 409.574 3.747 20 0 HHADMP c1ccc(CN2CCO[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)cc1 ZINC000463296741 986264403 /nfs/dbraw/zinc/26/44/03/986264403.db2.gz GGXINKXOSITPMG-SBZWWDHJSA-N 2 1 405.586 3.673 20 0 HHADMP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000468990345 986696228 /nfs/dbraw/zinc/69/62/28/986696228.db2.gz NZHBTNWRNXCYFU-KRWDZBQOSA-N 2 1 412.603 3.854 20 0 HHADMP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000468990345 986696235 /nfs/dbraw/zinc/69/62/35/986696235.db2.gz NZHBTNWRNXCYFU-KRWDZBQOSA-N 2 1 412.603 3.854 20 0 HHADMP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1nc2ccccc2n1C(F)F ZINC000444665329 986849489 /nfs/dbraw/zinc/84/94/89/986849489.db2.gz OPKIFYRILFHNED-HNAYVOBHSA-N 2 1 415.488 3.501 20 0 HHADMP O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000469413701 987105039 /nfs/dbraw/zinc/10/50/39/987105039.db2.gz JCPUGVMRTJARHM-SFHVURJKSA-N 2 1 417.504 3.979 20 0 HHADMP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000469413701 987105043 /nfs/dbraw/zinc/10/50/43/987105043.db2.gz JCPUGVMRTJARHM-SFHVURJKSA-N 2 1 417.504 3.979 20 0 HHADMP C[C@H]1C[C@@H](C(=O)N(C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC(F)(F)F)CC[N@H+]1C ZINC000469709213 987365337 /nfs/dbraw/zinc/36/53/37/987365337.db2.gz WDNDKLVTVHQVSR-SXLOBPIMSA-N 2 1 411.512 3.630 20 0 HHADMP C[C@H]1C[C@@H](C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)CC[NH+]1C ZINC000469709213 987365347 /nfs/dbraw/zinc/36/53/47/987365347.db2.gz WDNDKLVTVHQVSR-SXLOBPIMSA-N 2 1 411.512 3.630 20 0 HHADMP C[C@H]1C[C@@H](C(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)CC[NH+]1C ZINC000469709213 987365354 /nfs/dbraw/zinc/36/53/54/987365354.db2.gz WDNDKLVTVHQVSR-SXLOBPIMSA-N 2 1 411.512 3.630 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N[C@H]1CCCc2ccccc21 ZINC000469756255 987408953 /nfs/dbraw/zinc/40/89/53/987408953.db2.gz GBHBJCHFDFULLM-PEJASQCSSA-N 2 1 405.586 3.926 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N[C@H]1CCCc2ccccc21 ZINC000469756255 987408959 /nfs/dbraw/zinc/40/89/59/987408959.db2.gz GBHBJCHFDFULLM-PEJASQCSSA-N 2 1 405.586 3.926 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000469759305 987412785 /nfs/dbraw/zinc/41/27/85/987412785.db2.gz XZOSCLLMCVECPY-ZHALLVOQSA-N 2 1 411.512 3.534 20 0 HHADMP CCOc1ccc(CN(C)C(=O)C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000469759838 987413467 /nfs/dbraw/zinc/41/34/67/987413467.db2.gz DSUMRNVMPVBTPA-ACWUQQCTSA-N 2 1 423.601 3.790 20 0 HHADMP CCOc1ccc(CN(C)C(=O)C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000469759838 987413468 /nfs/dbraw/zinc/41/34/68/987413468.db2.gz DSUMRNVMPVBTPA-ACWUQQCTSA-N 2 1 423.601 3.790 20 0 HHADMP Cc1cc(NC(=O)C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)n(C(C)(C)C)n1 ZINC000469775293 987425160 /nfs/dbraw/zinc/42/51/60/987425160.db2.gz LAVCJISBGGBBLA-ROUUACIJSA-N 2 1 411.594 3.631 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NCCCOC1CCCCC1 ZINC000469776599 987425800 /nfs/dbraw/zinc/42/58/00/987425800.db2.gz RKZMKZMICUUWJW-NHCUHLMSSA-N 2 1 415.622 3.588 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NCCCOC1CCCCC1 ZINC000469776600 987425924 /nfs/dbraw/zinc/42/59/24/987425924.db2.gz RKZMKZMICUUWJW-SFTDATJTSA-N 2 1 415.622 3.588 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)Cn2c3ccccc3c3ccccc32)[C@H](C)C1 ZINC000469794160 987437465 /nfs/dbraw/zinc/43/74/65/987437465.db2.gz NDMDLQMSRCPPOT-LGVFNWMJSA-N 2 1 423.601 3.882 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2cc(F)cc(Br)c2)[C@@H](C)C1 ZINC000469794041 987437485 /nfs/dbraw/zinc/43/74/85/987437485.db2.gz LQUJZDXSVNEFCC-KXBFYZLASA-N 2 1 417.363 3.694 20 0 HHADMP CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000469819337 987457444 /nfs/dbraw/zinc/45/74/44/987457444.db2.gz IDYVSKUYDLGGRK-UHFFFAOYSA-N 2 1 405.493 3.979 20 0 HHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC[C@@H](C(F)(F)F)C3(C)C)CC2)cc1 ZINC000470005441 987618262 /nfs/dbraw/zinc/61/82/62/987618262.db2.gz XUFZZNBELLFDOD-LJQANCHMSA-N 2 1 411.512 3.692 20 0 HHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC[C@@H](C(F)(F)F)C3(C)C)CC2)cc1 ZINC000470005441 987618265 /nfs/dbraw/zinc/61/82/65/987618265.db2.gz XUFZZNBELLFDOD-LJQANCHMSA-N 2 1 411.512 3.692 20 0 HHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C(F)(F)F)C3(C)C)CC2)cc1 ZINC000470005441 987618267 /nfs/dbraw/zinc/61/82/67/987618267.db2.gz XUFZZNBELLFDOD-LJQANCHMSA-N 2 1 411.512 3.692 20 0 HHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CC[C@@H](C(F)(F)F)C3(C)C)CC2)cc1 ZINC000470005441 987618269 /nfs/dbraw/zinc/61/82/69/987618269.db2.gz XUFZZNBELLFDOD-LJQANCHMSA-N 2 1 411.512 3.692 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccn(-c4ccccc4F)n3)CC2)CC1 ZINC000445807661 987868474 /nfs/dbraw/zinc/86/84/74/987868474.db2.gz LLYZRJXDTJPRPI-UHFFFAOYSA-N 2 1 413.585 3.640 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccn(-c4ccccc4F)n3)CC2)CC1 ZINC000445807661 987868479 /nfs/dbraw/zinc/86/84/79/987868479.db2.gz LLYZRJXDTJPRPI-UHFFFAOYSA-N 2 1 413.585 3.640 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)[C@@H](C)C1 ZINC000470287092 988244331 /nfs/dbraw/zinc/24/43/31/988244331.db2.gz YBNYAECXPMJPBS-SNRMKQJTSA-N 2 1 414.516 3.680 20 0 HHADMP CC(C)[NH+](CCCNC(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000470502853 988498398 /nfs/dbraw/zinc/49/83/98/988498398.db2.gz MTYMATMXBVTFGU-OYRHEFFESA-N 2 1 418.626 3.604 20 0 HHADMP CC(C)[NH+](CCCNC(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000470502853 988498402 /nfs/dbraw/zinc/49/84/02/988498402.db2.gz MTYMATMXBVTFGU-OYRHEFFESA-N 2 1 418.626 3.604 20 0 HHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000470731133 988761902 /nfs/dbraw/zinc/76/19/02/988761902.db2.gz CLWTWRXGSIAAFS-XMMPIXPASA-N 2 1 412.622 3.936 20 0 HHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000470731132 988762471 /nfs/dbraw/zinc/76/24/71/988762471.db2.gz CLWTWRXGSIAAFS-DEOSSOPVSA-N 2 1 412.622 3.936 20 0 HHADMP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c2cccs2)CC1 ZINC000470753553 988795572 /nfs/dbraw/zinc/79/55/72/988795572.db2.gz FHYVVMZHKKIDFX-NHCUHLMSSA-N 2 1 418.651 3.894 20 0 HHADMP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000464670417 988867606 /nfs/dbraw/zinc/86/76/06/988867606.db2.gz MNAKUFGULQQFHJ-TZIWHRDSSA-N 2 1 411.512 3.631 20 0 HHADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000464670416 988868188 /nfs/dbraw/zinc/86/81/88/988868188.db2.gz MNAKUFGULQQFHJ-PZJWPPBQSA-N 2 1 411.512 3.631 20 0 HHADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471479705 989676329 /nfs/dbraw/zinc/67/63/29/989676329.db2.gz IDJLBFKBPGYXGB-XPWALMASSA-N 2 1 422.573 3.580 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000465450528 989790485 /nfs/dbraw/zinc/79/04/85/989790485.db2.gz ALZXBRSYOIFGDG-QFIPXVFZSA-N 2 1 400.611 3.805 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000465457589 989797509 /nfs/dbraw/zinc/79/75/09/989797509.db2.gz XCYXDKICLUCPHI-UPVQGACJSA-N 2 1 408.590 3.843 20 0 HHADMP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471603881 989807993 /nfs/dbraw/zinc/80/79/93/989807993.db2.gz VJWZAPFYUQHIKB-DSNGMDLFSA-N 2 1 418.585 3.597 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000465520430 989872314 /nfs/dbraw/zinc/87/23/14/989872314.db2.gz AQIBECYJLLSFHN-GHTZIAJQSA-N 2 1 407.002 3.850 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000465532715 989893413 /nfs/dbraw/zinc/89/34/13/989893413.db2.gz VQEIAXQCRWBYRQ-PZJWPPBQSA-N 2 1 404.599 3.592 20 0 HHADMP CC1CC[NH+](Cc2ccc(CNC(=O)N(C)CC[C@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000465558488 989923242 /nfs/dbraw/zinc/92/32/42/989923242.db2.gz QDLLPIHCLKKXQK-HSZRJFAPSA-N 2 1 400.611 3.934 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)C1 ZINC000465568384 989936490 /nfs/dbraw/zinc/93/64/90/989936490.db2.gz KJSGVEWUTAGXKW-NHCUHLMSSA-N 2 1 400.611 3.934 20 0 HHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1 ZINC000465568384 989936505 /nfs/dbraw/zinc/93/65/05/989936505.db2.gz KJSGVEWUTAGXKW-NHCUHLMSSA-N 2 1 400.611 3.934 20 0 HHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000465568384 989936515 /nfs/dbraw/zinc/93/65/15/989936515.db2.gz KJSGVEWUTAGXKW-NHCUHLMSSA-N 2 1 400.611 3.934 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000465584149 989956660 /nfs/dbraw/zinc/95/66/60/989956660.db2.gz ZMADSZVTBQLJGP-HXUWFJFHSA-N 2 1 400.611 3.982 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000465593673 989973005 /nfs/dbraw/zinc/97/30/05/989973005.db2.gz GUHFJLLCPHGERW-DYXWJJEUSA-N 2 1 406.640 3.942 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000465593673 989973011 /nfs/dbraw/zinc/97/30/11/989973011.db2.gz GUHFJLLCPHGERW-DYXWJJEUSA-N 2 1 406.640 3.942 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000465593673 989973017 /nfs/dbraw/zinc/97/30/17/989973017.db2.gz GUHFJLLCPHGERW-DYXWJJEUSA-N 2 1 406.640 3.942 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000465594677 989974847 /nfs/dbraw/zinc/97/48/47/989974847.db2.gz ILVQMJHWRDPQDZ-PZJWPPBQSA-N 2 1 404.599 3.592 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000465632447 990018791 /nfs/dbraw/zinc/01/87/91/990018791.db2.gz NUQFQCDREPOLJM-CTNGQTDRSA-N 2 1 400.592 3.692 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[NH+]1CCCCC1 ZINC000465696927 990082882 /nfs/dbraw/zinc/08/28/82/990082882.db2.gz SXZSZJRGKSKJMP-RBBKRZOGSA-N 2 1 416.610 3.738 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000465698836 990084787 /nfs/dbraw/zinc/08/47/87/990084787.db2.gz WPSXTPPYMVWVAQ-NRFANRHFSA-N 2 1 400.611 3.803 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000465724570 990110235 /nfs/dbraw/zinc/11/02/35/990110235.db2.gz SLUQUXJQJBJZPE-RPBOFIJWSA-N 2 1 422.617 3.713 20 0 HHADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000465724703 990110253 /nfs/dbraw/zinc/11/02/53/990110253.db2.gz NQINVCPYROKMRF-RZUBCFFCSA-N 2 1 414.619 3.603 20 0 HHADMP COc1cccc([C@H]2[C@H](NC(=O)Nc3ccccc3CC[NH+](C)C)CC[N@H+]2C2CC2)c1 ZINC000471962627 990128012 /nfs/dbraw/zinc/12/80/12/990128012.db2.gz FLICYGLEHYLMIJ-RPWUZVMVSA-N 2 1 422.573 3.899 20 0 HHADMP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465825074 990208322 /nfs/dbraw/zinc/20/83/22/990208322.db2.gz BEKZQQZDGOYISU-FQEVSTJZSA-N 2 1 404.624 3.524 20 0 HHADMP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000472056899 990221536 /nfs/dbraw/zinc/22/15/36/990221536.db2.gz AQAAFJQQMGFUIS-RXVVDRJESA-N 2 1 424.992 3.989 20 0 HHADMP C[C@H]1C[C@H](N(C)C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000465859640 990970612 /nfs/dbraw/zinc/97/06/12/990970612.db2.gz BQSIZVVSAWYRHD-XUZZJYLKSA-N 2 1 414.638 3.845 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000465879380 990997232 /nfs/dbraw/zinc/99/72/32/990997232.db2.gz ZBPKVINZVGDMQD-OFNKIYASSA-N 2 1 400.611 3.503 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000465895529 991021712 /nfs/dbraw/zinc/02/17/12/991021712.db2.gz BZGVESIGMTZLEJ-MQSCRBSSSA-N 2 1 400.611 3.803 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000465924432 991057225 /nfs/dbraw/zinc/05/72/25/991057225.db2.gz GCGZRXBMTVMHAS-LJQANCHMSA-N 2 1 423.483 3.564 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000465924432 991057229 /nfs/dbraw/zinc/05/72/29/991057229.db2.gz GCGZRXBMTVMHAS-LJQANCHMSA-N 2 1 423.483 3.564 20 0 HHADMP CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC)c1ccc(Cl)s1 ZINC000465939287 991077241 /nfs/dbraw/zinc/07/72/41/991077241.db2.gz RVBORJOETZLPGN-HOTGVXAUSA-N 2 1 401.020 3.910 20 0 HHADMP C[C@H]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000465952537 991091624 /nfs/dbraw/zinc/09/16/24/991091624.db2.gz KSXOBXWWAKQCJD-QFIPXVFZSA-N 2 1 400.611 3.949 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)CC2)[nH+]c1 ZINC000465958002 991100406 /nfs/dbraw/zinc/10/04/06/991100406.db2.gz NNOBZEDAQRPUOB-SFTDATJTSA-N 2 1 413.610 3.655 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)CC2)[nH+]c1 ZINC000465958002 991100410 /nfs/dbraw/zinc/10/04/10/991100410.db2.gz NNOBZEDAQRPUOB-SFTDATJTSA-N 2 1 413.610 3.655 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000466020404 991188087 /nfs/dbraw/zinc/18/80/87/991188087.db2.gz YXNFLPVUQDQVER-FRIKZZABSA-N 2 1 410.562 3.726 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000466020404 991188095 /nfs/dbraw/zinc/18/80/95/991188095.db2.gz YXNFLPVUQDQVER-FRIKZZABSA-N 2 1 410.562 3.726 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000466020404 991188099 /nfs/dbraw/zinc/18/80/99/991188099.db2.gz YXNFLPVUQDQVER-FRIKZZABSA-N 2 1 410.562 3.726 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000466020404 991188102 /nfs/dbraw/zinc/18/81/02/991188102.db2.gz YXNFLPVUQDQVER-FRIKZZABSA-N 2 1 410.562 3.726 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000466079416 991254507 /nfs/dbraw/zinc/25/45/07/991254507.db2.gz OWXHAXHIBKJWBA-PZJWPPBQSA-N 2 1 406.640 3.894 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)[C@@H]1c1cccs1 ZINC000466082783 991260215 /nfs/dbraw/zinc/26/02/15/991260215.db2.gz WNUOLMPIUAAUJY-SFHLNBCPSA-N 2 1 404.624 3.791 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1F ZINC000466288701 991536737 /nfs/dbraw/zinc/53/67/37/991536737.db2.gz RMMYDVJWINAGKA-UTKZUKDTSA-N 2 1 421.520 3.782 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1F ZINC000466288701 991536746 /nfs/dbraw/zinc/53/67/46/991536746.db2.gz RMMYDVJWINAGKA-UTKZUKDTSA-N 2 1 421.520 3.782 20 0 HHADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000466514666 991801688 /nfs/dbraw/zinc/80/16/88/991801688.db2.gz MFVNFIKDQCKASI-IFMALSPDSA-N 2 1 421.589 3.531 20 0 HHADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000466514667 991801912 /nfs/dbraw/zinc/80/19/12/991801912.db2.gz MFVNFIKDQCKASI-IRLDBZIGSA-N 2 1 421.589 3.531 20 0 HHADMP O=C(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)N(c1ccccc1)C1CCCCC1 ZINC000466908808 992224121 /nfs/dbraw/zinc/22/41/21/992224121.db2.gz UKVGUJGYIIVPMN-UHFFFAOYSA-N 2 1 413.606 3.929 20 0 HHADMP C[NH+](C)CCc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000467007919 992316254 /nfs/dbraw/zinc/31/62/54/992316254.db2.gz VDZYJWGYGIKDBR-OAQYLSRUSA-N 2 1 414.619 3.564 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000467098511 992404715 /nfs/dbraw/zinc/40/47/15/992404715.db2.gz BEJLCWIAOBCZFF-OFNKIYASSA-N 2 1 400.611 3.587 20 0 HHADMP C[C@@H]1[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC(=O)N1Cc1ccccc1 ZINC000467436579 992733862 /nfs/dbraw/zinc/73/38/62/992733862.db2.gz XYINXXNTRBTZFM-HKNOCEQDSA-N 2 1 403.570 3.961 20 0 HHADMP Cc1ccc(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000467468096 992760351 /nfs/dbraw/zinc/76/03/51/992760351.db2.gz QLLLDIWHNRNYLF-TZIWHRDSSA-N 2 1 410.562 3.720 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000467547058 992826471 /nfs/dbraw/zinc/82/64/71/992826471.db2.gz DZEDAGUYDORGQT-BWKNWUBXSA-N 2 1 421.585 3.619 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000467547058 992826477 /nfs/dbraw/zinc/82/64/77/992826477.db2.gz DZEDAGUYDORGQT-BWKNWUBXSA-N 2 1 421.585 3.619 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)C[N@H+]1Cc1ccccc1 ZINC000467691249 992947778 /nfs/dbraw/zinc/94/77/78/992947778.db2.gz ANTOFPLSJBYRIB-UWHHFBIGSA-N 2 1 421.585 3.689 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C[N@H+]1Cc1ccccc1 ZINC000467691249 992947796 /nfs/dbraw/zinc/94/77/96/992947796.db2.gz ANTOFPLSJBYRIB-UWHHFBIGSA-N 2 1 421.585 3.689 20 0 HHADMP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467848808 993081102 /nfs/dbraw/zinc/08/11/02/993081102.db2.gz FBASTIUEPPAFJW-RTBURBONSA-N 2 1 415.603 3.813 20 0 HHADMP CC1CC[NH+](C2CCC(NC(=O)N3C[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)CC2)CC1 ZINC000472120170 993172337 /nfs/dbraw/zinc/17/23/37/993172337.db2.gz NHAUCWRMHURMEQ-KFULVZMISA-N 2 1 424.633 3.803 20 0 HHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000472280217 993299283 /nfs/dbraw/zinc/29/92/83/993299283.db2.gz RSJBZRIIPNOEQJ-LMKMVOKYSA-N 2 1 407.407 3.534 20 0 HHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000472280217 993299289 /nfs/dbraw/zinc/29/92/89/993299289.db2.gz RSJBZRIIPNOEQJ-LMKMVOKYSA-N 2 1 407.407 3.534 20 0 HHADMP C[N@@H+]1CC[C@@H](NC(=O)Nc2ccccc2C[NH+]2CCSCC2)[C@H]1c1ccccc1 ZINC000472301769 993314760 /nfs/dbraw/zinc/31/47/60/993314760.db2.gz AVGPXHQQJBMEIE-FGZHOGPDSA-N 2 1 410.587 3.802 20 0 HHADMP C[N@H+]1CC[C@@H](NC(=O)Nc2ccccc2C[NH+]2CCSCC2)[C@H]1c1ccccc1 ZINC000472301769 993314764 /nfs/dbraw/zinc/31/47/64/993314764.db2.gz AVGPXHQQJBMEIE-FGZHOGPDSA-N 2 1 410.587 3.802 20 0 HHADMP C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)[C@@H]1c1ccccc1 ZINC000472306125 993318183 /nfs/dbraw/zinc/31/81/83/993318183.db2.gz PJDRTUGOZDQTCH-PKTZIBPZSA-N 2 1 424.614 3.845 20 0 HHADMP CCN(C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472387002 993382301 /nfs/dbraw/zinc/38/23/01/993382301.db2.gz XKWFYEAFDDNVSO-JWQCQUIFSA-N 2 1 420.601 3.815 20 0 HHADMP CCN(C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472387002 993382309 /nfs/dbraw/zinc/38/23/09/993382309.db2.gz XKWFYEAFDDNVSO-JWQCQUIFSA-N 2 1 420.601 3.815 20 0 HHADMP CCN(C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472387002 993382316 /nfs/dbraw/zinc/38/23/16/993382316.db2.gz XKWFYEAFDDNVSO-JWQCQUIFSA-N 2 1 420.601 3.815 20 0 HHADMP CC1CC[NH+]([C@@H](CNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c2cccs2)CC1 ZINC000472665875 993593818 /nfs/dbraw/zinc/59/38/18/993593818.db2.gz FFNDGMSHHUFHMH-FQEVSTJZSA-N 2 1 421.632 3.561 20 0 HHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccc4c(c3)C(C)(C)C(=O)N4)cc2)CC1 ZINC000480733676 993599765 /nfs/dbraw/zinc/59/97/65/993599765.db2.gz BHBWCJGVFPSFFW-LJQANCHMSA-N 2 1 420.601 3.905 20 0 HHADMP COc1cc(F)c([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1OC ZINC000480797799 993667011 /nfs/dbraw/zinc/66/70/11/993667011.db2.gz RNHOMIFEZLSWMK-AVRDEDQJSA-N 2 1 415.553 3.872 20 0 HHADMP CCc1nc(C)c([C@@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)s1 ZINC000480897104 993755229 /nfs/dbraw/zinc/75/52/29/993755229.db2.gz FEGRGFGKUXLODO-MRXNPFEDSA-N 2 1 416.591 3.526 20 0 HHADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000480903213 993760007 /nfs/dbraw/zinc/76/00/07/993760007.db2.gz STJVPQJFKHJMMY-HSZRJFAPSA-N 2 1 423.557 3.659 20 0 HHADMP C[NH+](C)CC1CC[NH+](CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000481076700 993916303 /nfs/dbraw/zinc/91/63/03/993916303.db2.gz PLXXJHXJUFLQLM-UHFFFAOYSA-N 2 1 411.390 3.936 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000473069764 993989497 /nfs/dbraw/zinc/98/94/97/993989497.db2.gz CABRZWABQZXVSF-KRWDZBQOSA-N 2 1 400.489 3.894 20 0 HHADMP CC(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481191588 994024186 /nfs/dbraw/zinc/02/41/86/994024186.db2.gz QTAQNAGZEMMDQI-CVDCTZTESA-N 2 1 400.588 3.869 20 0 HHADMP CC(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481191588 994024198 /nfs/dbraw/zinc/02/41/98/994024198.db2.gz QTAQNAGZEMMDQI-CVDCTZTESA-N 2 1 400.588 3.869 20 0 HHADMP CC(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481191590 994024681 /nfs/dbraw/zinc/02/46/81/994024681.db2.gz QTAQNAGZEMMDQI-WMZHIEFXSA-N 2 1 400.588 3.869 20 0 HHADMP CC(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481191590 994024691 /nfs/dbraw/zinc/02/46/91/994024691.db2.gz QTAQNAGZEMMDQI-WMZHIEFXSA-N 2 1 400.588 3.869 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000481198582 994032534 /nfs/dbraw/zinc/03/25/34/994032534.db2.gz OHBGMOOMEIAPKW-ATIYNZHBSA-N 2 1 419.613 3.968 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000481198582 994032543 /nfs/dbraw/zinc/03/25/43/994032543.db2.gz OHBGMOOMEIAPKW-ATIYNZHBSA-N 2 1 419.613 3.968 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000481200945 994034664 /nfs/dbraw/zinc/03/46/64/994034664.db2.gz QSRBRXJEAZSEMW-FXAWDEMLSA-N 2 1 423.479 3.671 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000481200945 994034673 /nfs/dbraw/zinc/03/46/73/994034673.db2.gz QSRBRXJEAZSEMW-FXAWDEMLSA-N 2 1 423.479 3.671 20 0 HHADMP C/C=C\c1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(OC)c1 ZINC000481202468 994036474 /nfs/dbraw/zinc/03/64/74/994036474.db2.gz SNVDDLNEQGNZKD-XGXGVJEESA-N 2 1 424.585 3.968 20 0 HHADMP C[NH+](C)[C@@]1(CNC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)CCSC1 ZINC000481287151 994103332 /nfs/dbraw/zinc/10/33/32/994103332.db2.gz OWIKGQQFWMBQDT-HSZRJFAPSA-N 2 1 418.651 3.688 20 0 HHADMP CC[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000473369652 994230179 /nfs/dbraw/zinc/23/01/79/994230179.db2.gz DPFWHXVUDNORLR-JWQCQUIFSA-N 2 1 421.585 3.692 20 0 HHADMP CC[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000473369652 994230187 /nfs/dbraw/zinc/23/01/87/994230187.db2.gz DPFWHXVUDNORLR-JWQCQUIFSA-N 2 1 421.585 3.692 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000481585810 994430010 /nfs/dbraw/zinc/43/00/10/994430010.db2.gz WOQXEJUILFFGFG-QZTJIDSGSA-N 2 1 407.558 3.988 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000481585810 994430018 /nfs/dbraw/zinc/43/00/18/994430018.db2.gz WOQXEJUILFFGFG-QZTJIDSGSA-N 2 1 407.558 3.988 20 0 HHADMP CC[NH+](CC)CCCNC(=O)C1CCN(c2cc(C)[nH+]c3c(OC)cccc23)CC1 ZINC000481681130 994541324 /nfs/dbraw/zinc/54/13/24/994541324.db2.gz AIWAENIMVCOBJY-UHFFFAOYSA-N 2 1 412.578 3.616 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000481743682 994598138 /nfs/dbraw/zinc/59/81/38/994598138.db2.gz QIOXYLRJNAPKML-FQEVSTJZSA-N 2 1 403.570 3.703 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000481743682 994598148 /nfs/dbraw/zinc/59/81/48/994598148.db2.gz QIOXYLRJNAPKML-FQEVSTJZSA-N 2 1 403.570 3.703 20 0 HHADMP COc1cccc([C@@H]2[C@H](NC(=O)Nc3cccc(C[NH+](C)C)c3)CC[N@H+]2C2CC2)c1 ZINC000481924360 994795970 /nfs/dbraw/zinc/79/59/70/994795970.db2.gz PLEXERXCFTYFSM-DHIUTWEWSA-N 2 1 408.546 3.856 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cc(Cl)ccc3OC)C2)[C@@H](C)C1 ZINC000481932187 994804437 /nfs/dbraw/zinc/80/44/37/994804437.db2.gz MQLKSSSQIVLDII-IHPCNDPISA-N 2 1 410.002 3.654 20 0 HHADMP COc1ccc(-c2ccncc2)cc1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000482010980 994916713 /nfs/dbraw/zinc/91/67/13/994916713.db2.gz SAYFHMYKMACALG-OYRHEFFESA-N 2 1 408.590 3.748 20 0 HHADMP COc1ccc(-c2ccncc2)cc1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000482010980 994916728 /nfs/dbraw/zinc/91/67/28/994916728.db2.gz SAYFHMYKMACALG-OYRHEFFESA-N 2 1 408.590 3.748 20 0 HHADMP CCN(C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473962916 994944548 /nfs/dbraw/zinc/94/45/48/994944548.db2.gz HDCVTAPICLNPAA-QNWVGRARSA-N 2 1 400.611 3.974 20 0 HHADMP CCN(C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000473962916 994944572 /nfs/dbraw/zinc/94/45/72/994944572.db2.gz HDCVTAPICLNPAA-QNWVGRARSA-N 2 1 400.611 3.974 20 0 HHADMP CCN(C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000473962916 994944588 /nfs/dbraw/zinc/94/45/88/994944588.db2.gz HDCVTAPICLNPAA-QNWVGRARSA-N 2 1 400.611 3.974 20 0 HHADMP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)CC[N@H+]2C2CC2)c1 ZINC000482050409 994975832 /nfs/dbraw/zinc/97/58/32/994975832.db2.gz PMWMXXQLPLMMLU-WDJPJFJCSA-N 2 1 411.590 3.744 20 0 HHADMP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CC[NH+]2C2CC2)c1 ZINC000482050409 994975842 /nfs/dbraw/zinc/97/58/42/994975842.db2.gz PMWMXXQLPLMMLU-WDJPJFJCSA-N 2 1 411.590 3.744 20 0 HHADMP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)CC[NH+]2C2CC2)c1 ZINC000482050409 994975853 /nfs/dbraw/zinc/97/58/53/994975853.db2.gz PMWMXXQLPLMMLU-WDJPJFJCSA-N 2 1 411.590 3.744 20 0 HHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000474015245 995006416 /nfs/dbraw/zinc/00/64/16/995006416.db2.gz UMDXQOCDYFAQJF-SFHVURJKSA-N 2 1 424.427 3.743 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000474015245 995006427 /nfs/dbraw/zinc/00/64/27/995006427.db2.gz UMDXQOCDYFAQJF-SFHVURJKSA-N 2 1 424.427 3.743 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000474044516 995035425 /nfs/dbraw/zinc/03/54/25/995035425.db2.gz NCXVPBPNSYPZAZ-TUUBTQOTSA-N 2 1 412.622 3.981 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N[C@H](C)c2ccc3ccccc3c2)[C@@H](C)C1 ZINC000482142890 995093079 /nfs/dbraw/zinc/09/30/79/995093079.db2.gz NPPZURPXADIRSC-ROKPMTFOSA-N 2 1 411.590 3.744 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N[C@H](C)c2ccc3ccccc3c2)[C@@H](C)C1 ZINC000482142890 995093097 /nfs/dbraw/zinc/09/30/97/995093097.db2.gz NPPZURPXADIRSC-ROKPMTFOSA-N 2 1 411.590 3.744 20 0 HHADMP CC(=O)N1CC[NH+](CCOc2ccc(CC[NH2+][C@@H](C)c3cc(C)ccc3C)cc2)CC1 ZINC000482237399 995220399 /nfs/dbraw/zinc/22/03/99/995220399.db2.gz BZHCPHNKQPKSGX-QFIPXVFZSA-N 2 1 423.601 3.740 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1nc(-c2ccccc2)cs1 ZINC000482257444 995235589 /nfs/dbraw/zinc/23/55/89/995235589.db2.gz CUKQOLRVHVLXKD-QGZVFWFLSA-N 2 1 408.571 3.952 20 0 HHADMP COc1cccc2c1CC[C@H]2[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000482259859 995238323 /nfs/dbraw/zinc/23/83/23/995238323.db2.gz HLGAVRHRAZDWES-XMMPIXPASA-N 2 1 410.558 3.962 20 0 HHADMP CC(C)(C)[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000482267068 995245314 /nfs/dbraw/zinc/24/53/14/995245314.db2.gz HXFXKVIDOJILKK-GGAORHGYSA-N 2 1 412.622 3.945 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000482339622 995318340 /nfs/dbraw/zinc/31/83/40/995318340.db2.gz VXJKMQRZHAHUAV-WOJBJXKFSA-N 2 1 407.624 3.632 20 0 HHADMP Cc1c([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cnn1-c1cccc(Cl)c1 ZINC000482349104 995327904 /nfs/dbraw/zinc/32/79/04/995327904.db2.gz HOZVEVFFLOWHJD-QGZVFWFLSA-N 2 1 404.002 3.758 20 0 HHADMP O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474488071 995445536 /nfs/dbraw/zinc/44/55/36/995445536.db2.gz GPROOEWKCLPZAW-XMMPIXPASA-N 2 1 409.549 3.613 20 0 HHADMP O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474488071 995445539 /nfs/dbraw/zinc/44/55/39/995445539.db2.gz GPROOEWKCLPZAW-XMMPIXPASA-N 2 1 409.549 3.613 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000474511577 995472624 /nfs/dbraw/zinc/47/26/24/995472624.db2.gz CMSHFKMEOHXLNF-SFTDATJTSA-N 2 1 412.622 3.803 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000474525607 995491289 /nfs/dbraw/zinc/49/12/89/995491289.db2.gz RHUMYYMBKSIFEL-SJBKTWHCSA-N 2 1 400.611 3.516 20 0 HHADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000482540431 995548199 /nfs/dbraw/zinc/54/81/99/995548199.db2.gz DGZDKLOEBHLDES-HOCLYGCPSA-N 2 1 403.514 3.579 20 0 HHADMP Cc1ccccc1COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000482554790 995562202 /nfs/dbraw/zinc/56/22/02/995562202.db2.gz QFSHAOINOKVZDY-IFMALSPDSA-N 2 1 409.574 3.812 20 0 HHADMP C[C@@H](c1ccc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000474624161 995573765 /nfs/dbraw/zinc/57/37/65/995573765.db2.gz VAULOIHSAVTYBA-RDPSFJRHSA-N 2 1 422.573 3.818 20 0 HHADMP C[C@@H](c1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000474624161 995573777 /nfs/dbraw/zinc/57/37/77/995573777.db2.gz VAULOIHSAVTYBA-RDPSFJRHSA-N 2 1 422.573 3.818 20 0 HHADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000482587142 995589717 /nfs/dbraw/zinc/58/97/17/995589717.db2.gz XLCYJDGIHWOMAF-WMTXJRDZSA-N 2 1 410.606 3.699 20 0 HHADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482587142 995589727 /nfs/dbraw/zinc/58/97/27/995589727.db2.gz XLCYJDGIHWOMAF-WMTXJRDZSA-N 2 1 410.606 3.699 20 0 HHADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482587142 995589737 /nfs/dbraw/zinc/58/97/37/995589737.db2.gz XLCYJDGIHWOMAF-WMTXJRDZSA-N 2 1 410.606 3.699 20 0 HHADMP CCc1nc2c(s1)[C@@H]([NH2+]Cc1cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c1)CCC2 ZINC000482621719 995617230 /nfs/dbraw/zinc/61/72/30/995617230.db2.gz UCCFEAIFZKDBPU-MOPGFXCFSA-N 2 1 412.603 3.570 20 0 HHADMP C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000482623793 995618926 /nfs/dbraw/zinc/61/89/26/995618926.db2.gz QSDANTHCVXNSSY-ILWGZMRPSA-N 2 1 400.611 3.659 20 0 HHADMP C[C@H]1C[C@H](N(C)C(=O)CC[NH+]2CCc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000474743984 995677198 /nfs/dbraw/zinc/67/71/98/995677198.db2.gz UIXLCSUFTLPNRX-SQJMNOBHSA-N 2 1 405.586 3.946 20 0 HHADMP C[C@H]1C[C@H](N(C)C(=O)CC[N@@H+]2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000474743984 995677203 /nfs/dbraw/zinc/67/72/03/995677203.db2.gz UIXLCSUFTLPNRX-SQJMNOBHSA-N 2 1 405.586 3.946 20 0 HHADMP C[C@H]1C[C@H](N(C)C(=O)CC[N@H+]2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000474743984 995677206 /nfs/dbraw/zinc/67/72/06/995677206.db2.gz UIXLCSUFTLPNRX-SQJMNOBHSA-N 2 1 405.586 3.946 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3Br)C2)[C@@H](C)C1 ZINC000482878566 995811990 /nfs/dbraw/zinc/81/19/90/995811990.db2.gz UZQAYKPECRAALW-NSHGMRRFSA-N 2 1 424.427 3.754 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3Br)C2)[C@@H](C)C1 ZINC000482878563 995812244 /nfs/dbraw/zinc/81/22/44/995812244.db2.gz UZQAYKPECRAALW-BJLQDIEVSA-N 2 1 424.427 3.754 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1OCc1ccccc1 ZINC000482882744 995814957 /nfs/dbraw/zinc/81/49/57/995814957.db2.gz BROGCBIGTSLOSN-FQEVSTJZSA-N 2 1 409.574 3.859 20 0 HHADMP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000482893071 995822569 /nfs/dbraw/zinc/82/25/69/995822569.db2.gz REPMTHCEMCAIML-HNNXBMFYSA-N 2 1 418.582 3.851 20 0 HHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cccc(N4CCOCC4)c3)CC2)oc1C ZINC000482897854 995827404 /nfs/dbraw/zinc/82/74/04/995827404.db2.gz WBZDCFDSFPZJGB-LJQANCHMSA-N 2 1 412.578 3.691 20 0 HHADMP CCN(C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475003583 995860187 /nfs/dbraw/zinc/86/01/87/995860187.db2.gz PEBFTSGLXHADFR-QFIPXVFZSA-N 2 1 424.593 3.587 20 0 HHADMP CN(C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475015813 995872061 /nfs/dbraw/zinc/87/20/61/995872061.db2.gz KLLJINOZIUAJMS-SFTDATJTSA-N 2 1 412.603 3.801 20 0 HHADMP CC[C@H](C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[NH+](CC)CC ZINC000475142234 995950119 /nfs/dbraw/zinc/95/01/19/995950119.db2.gz AOYSFJSPSJQALU-LJQANCHMSA-N 2 1 410.400 3.650 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000475145260 995953159 /nfs/dbraw/zinc/95/31/59/995953159.db2.gz KMPYXRYGGZWBIX-XJUOHMSHSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000475145260 995953163 /nfs/dbraw/zinc/95/31/63/995953163.db2.gz KMPYXRYGGZWBIX-XJUOHMSHSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000475145260 995953168 /nfs/dbraw/zinc/95/31/68/995953168.db2.gz KMPYXRYGGZWBIX-XJUOHMSHSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475175794 995972989 /nfs/dbraw/zinc/97/29/89/995972989.db2.gz RTNSJARQKBBXEC-FYYLOGMGSA-N 2 1 400.611 3.805 20 0 HHADMP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000475224631 996008154 /nfs/dbraw/zinc/00/81/54/996008154.db2.gz OOFSBVIFKWIGLL-QUCCMNQESA-N 2 1 411.546 3.533 20 0 HHADMP CC[C@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)c1ccccc1OCC(=O)N(C)C ZINC000483188301 996027258 /nfs/dbraw/zinc/02/72/58/996027258.db2.gz AYXISDDJOFHYCS-NRFANRHFSA-N 2 1 410.562 3.567 20 0 HHADMP Cc1c([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cnn1-c1cccc(Cl)c1 ZINC000483189660 996027606 /nfs/dbraw/zinc/02/76/06/996027606.db2.gz CAFUHRXTYVKGTF-FUHWJXTLSA-N 2 1 402.970 3.986 20 0 HHADMP Cc1ccc(NCCCNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)[nH+]c1 ZINC000475256128 996028264 /nfs/dbraw/zinc/02/82/64/996028264.db2.gz DRJDDUPXRYJBJQ-DHIUTWEWSA-N 2 1 421.589 3.888 20 0 HHADMP Cc1ccc(NCCCNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)[nH+]c1 ZINC000475256128 996028270 /nfs/dbraw/zinc/02/82/70/996028270.db2.gz DRJDDUPXRYJBJQ-DHIUTWEWSA-N 2 1 421.589 3.888 20 0 HHADMP Brc1cccc2c1OCCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000483218441 996043912 /nfs/dbraw/zinc/04/39/12/996043912.db2.gz ZNTMUFGPYMWHHT-DNVCBOLYSA-N 2 1 409.368 3.753 20 0 HHADMP C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@@H]1CC[N@H+](C3CCCCC3)C1)c1ccccc1O2 ZINC000483221347 996045581 /nfs/dbraw/zinc/04/55/81/996045581.db2.gz ZIRUWPSNNDMYMM-KNQAVFIVSA-N 2 1 411.590 3.745 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475317982 996067212 /nfs/dbraw/zinc/06/72/12/996067212.db2.gz HFJQKCOSFHSSSL-QFIPXVFZSA-N 2 1 412.622 3.647 20 0 HHADMP CS[C@@H]1CN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C[C@@H]1[NH+]1CCCC1 ZINC000483387978 996144705 /nfs/dbraw/zinc/14/47/05/996144705.db2.gz CTKMPEZWGCKMDR-BJKOFHAPSA-N 2 1 423.626 3.970 20 0 HHADMP COc1ccc(COC[C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000483487169 996212526 /nfs/dbraw/zinc/21/25/26/996212526.db2.gz AQPUNABPFBMSTO-BFLUCZKCSA-N 2 1 424.585 3.559 20 0 HHADMP COc1ccc(COC[C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000483487169 996212527 /nfs/dbraw/zinc/21/25/27/996212527.db2.gz AQPUNABPFBMSTO-BFLUCZKCSA-N 2 1 424.585 3.559 20 0 HHADMP COc1ccc(COC[C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000483487169 996212531 /nfs/dbraw/zinc/21/25/31/996212531.db2.gz AQPUNABPFBMSTO-BFLUCZKCSA-N 2 1 424.585 3.559 20 0 HHADMP CC[NH+](CC)CCOc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000475555279 996216982 /nfs/dbraw/zinc/21/69/82/996216982.db2.gz QEOXKEZJRAMMJM-QHCPKHFHSA-N 2 1 409.574 3.754 20 0 HHADMP C[N@H+](CCNC(=O)Nc1ccccc1C[NH+]1CCSCC1)Cc1ccc(F)cc1 ZINC000483669427 996318886 /nfs/dbraw/zinc/31/88/86/996318886.db2.gz JLLYGVCACYKWIY-UHFFFAOYSA-N 2 1 416.566 3.628 20 0 HHADMP C[N@@H+](CCNC(=O)Nc1ccccc1C[NH+]1CCSCC1)Cc1ccc(F)cc1 ZINC000483669427 996318891 /nfs/dbraw/zinc/31/88/91/996318891.db2.gz JLLYGVCACYKWIY-UHFFFAOYSA-N 2 1 416.566 3.628 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C[C@H]1C ZINC000483708510 996341064 /nfs/dbraw/zinc/34/10/64/996341064.db2.gz JMUJBIWNROVUDG-DYESRHJHSA-N 2 1 407.002 3.819 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000483746029 996362855 /nfs/dbraw/zinc/36/28/55/996362855.db2.gz SIOFRUSWNZQYRZ-LLGFUMIMSA-N 2 1 404.551 3.790 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000483746029 996362858 /nfs/dbraw/zinc/36/28/58/996362858.db2.gz SIOFRUSWNZQYRZ-LLGFUMIMSA-N 2 1 404.551 3.790 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000483823449 996410493 /nfs/dbraw/zinc/41/04/93/996410493.db2.gz SBBMTGCZVBYANQ-LJQANCHMSA-N 2 1 412.553 3.782 20 0 HHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000475891050 996448116 /nfs/dbraw/zinc/44/81/16/996448116.db2.gz FRIPJCJINONQAX-AVRDEDQJSA-N 2 1 411.594 3.600 20 0 HHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000475891050 996448124 /nfs/dbraw/zinc/44/81/24/996448124.db2.gz FRIPJCJINONQAX-AVRDEDQJSA-N 2 1 411.594 3.600 20 0 HHADMP C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000483887256 996449719 /nfs/dbraw/zinc/44/97/19/996449719.db2.gz RKFPZFAEIJUXIM-NNWRFLSQSA-N 2 1 410.562 3.626 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000475935518 996483911 /nfs/dbraw/zinc/48/39/11/996483911.db2.gz VIXIWOSKYFYBIT-HYBUGGRVSA-N 2 1 423.605 3.867 20 0 HHADMP C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000483979271 996503274 /nfs/dbraw/zinc/50/32/74/996503274.db2.gz PNLFWGVALONTNU-AWRGLXIESA-N 2 1 420.601 3.643 20 0 HHADMP C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000483979271 996503277 /nfs/dbraw/zinc/50/32/77/996503277.db2.gz PNLFWGVALONTNU-AWRGLXIESA-N 2 1 420.601 3.643 20 0 HHADMP C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000483979271 996503281 /nfs/dbraw/zinc/50/32/81/996503281.db2.gz PNLFWGVALONTNU-AWRGLXIESA-N 2 1 420.601 3.643 20 0 HHADMP O[C@@]1(C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000484130116 996587077 /nfs/dbraw/zinc/58/70/77/996587077.db2.gz DPLCIBLRSJJGJZ-LEWJYISDSA-N 2 1 406.448 3.799 20 0 HHADMP O[C@@]1(C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000484130116 996587080 /nfs/dbraw/zinc/58/70/80/996587080.db2.gz DPLCIBLRSJJGJZ-LEWJYISDSA-N 2 1 406.448 3.799 20 0 HHADMP O[C@@]1(C[NH2+][C@@H]2CCc3cc(Br)ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000484134981 996590393 /nfs/dbraw/zinc/59/03/93/996590393.db2.gz AQRYETVRODBQME-NHCUHLMSSA-N 2 1 401.348 3.663 20 0 HHADMP O[C@@]1(C[NH2+][C@@H]2CCc3cc(Br)ccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000484134981 996590399 /nfs/dbraw/zinc/59/03/99/996590399.db2.gz AQRYETVRODBQME-NHCUHLMSSA-N 2 1 401.348 3.663 20 0 HHADMP CCCN(CC[NH+]1CCCCC1)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000484823589 997185442 /nfs/dbraw/zinc/18/54/42/997185442.db2.gz JZZOXFPAPPQNNM-UHFFFAOYSA-N 2 1 422.564 3.837 20 0 HHADMP C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000484968313 997340451 /nfs/dbraw/zinc/34/04/51/997340451.db2.gz FNUFZSATDIBDEP-DFQSSKMNSA-N 2 1 400.592 3.561 20 0 HHADMP C[C@@H]1[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000476871370 997447830 /nfs/dbraw/zinc/44/78/30/997447830.db2.gz DDGXYIOIMSQKNG-HYBUGGRVSA-N 2 1 406.574 3.745 20 0 HHADMP COc1ccccc1CN(C)C(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476970224 997588269 /nfs/dbraw/zinc/58/82/69/997588269.db2.gz HPFJQQOUZZLPNC-HXUWFJFHSA-N 2 1 401.595 3.630 20 0 HHADMP COc1ccccc1[C@@H](C)NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476972123 997590508 /nfs/dbraw/zinc/59/05/08/997590508.db2.gz KLYDQHIQKWLLCJ-VQTJNVASSA-N 2 1 401.595 3.849 20 0 HHADMP COc1ccccc1[C@@H](C)NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476972123 997590517 /nfs/dbraw/zinc/59/05/17/997590517.db2.gz KLYDQHIQKWLLCJ-VQTJNVASSA-N 2 1 401.595 3.849 20 0 HHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc(-c3ccc4c(c3)OCO4)no2)CC1 ZINC000476990913 997616977 /nfs/dbraw/zinc/61/69/77/997616977.db2.gz XCTBVUVXRXYDGC-KRWDZBQOSA-N 2 1 412.534 3.942 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc(-c3ccc4c(c3)OCO4)no2)CC1 ZINC000476990913 997616985 /nfs/dbraw/zinc/61/69/85/997616985.db2.gz XCTBVUVXRXYDGC-KRWDZBQOSA-N 2 1 412.534 3.942 20 0 HHADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000477011410 997644270 /nfs/dbraw/zinc/64/42/70/997644270.db2.gz YFNINTOIJUYDQH-NQIIRXRSSA-N 2 1 403.929 3.964 20 0 HHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000485492169 997943972 /nfs/dbraw/zinc/94/39/72/997943972.db2.gz LMZNNNBTBYUEKR-LJQANCHMSA-N 2 1 404.624 3.620 20 0 HHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000477278732 997958222 /nfs/dbraw/zinc/95/82/22/997958222.db2.gz OYPVKEBJONRMCO-IBGZPJMESA-N 2 1 404.599 3.786 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)C[N@@H+](C)[C@H]1CCSC1)c1ccc(C(F)(F)F)cc1 ZINC000485965949 998407384 /nfs/dbraw/zinc/40/73/84/998407384.db2.gz IIXFJYRMWRPNPJ-ZWKOTPCHSA-N 2 1 417.541 3.642 20 0 HHADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000486089417 998536630 /nfs/dbraw/zinc/53/66/30/998536630.db2.gz LNWPBGGRRKXWFG-RUZDIDTESA-N 2 1 421.585 3.693 20 0 HHADMP C[C@@H](NC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486345986 998722169 /nfs/dbraw/zinc/72/21/69/998722169.db2.gz NVVYLASQGGVKBB-ADYITMSISA-N 2 1 400.611 3.564 20 0 HHADMP C[C@@H](NC(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486345986 998722171 /nfs/dbraw/zinc/72/21/71/998722171.db2.gz NVVYLASQGGVKBB-ADYITMSISA-N 2 1 400.611 3.564 20 0 HHADMP C[C@@H](NC(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486345986 998722174 /nfs/dbraw/zinc/72/21/74/998722174.db2.gz NVVYLASQGGVKBB-ADYITMSISA-N 2 1 400.611 3.564 20 0 HHADMP CC(=O)Nc1ccc(NC(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000478053363 998738085 /nfs/dbraw/zinc/73/80/85/998738085.db2.gz KUYMXTPBGRRDAM-SFHVURJKSA-N 2 1 400.567 3.560 20 0 HHADMP CC(=O)Nc1ccc(NC(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000478053363 998738089 /nfs/dbraw/zinc/73/80/89/998738089.db2.gz KUYMXTPBGRRDAM-SFHVURJKSA-N 2 1 400.567 3.560 20 0 HHADMP C[C@H]1C[C@@H](N(C)C(=O)NCC(C)(C)C[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000478408805 998942073 /nfs/dbraw/zinc/94/20/73/998942073.db2.gz BFIYVDNIWXGIIG-UNMCSNQZSA-N 2 1 400.611 3.803 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)cc1)C1CC1 ZINC000487016386 999037282 /nfs/dbraw/zinc/03/72/82/999037282.db2.gz ZXCWLZAQEXAGRD-HSZRJFAPSA-N 2 1 405.586 3.965 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1)C1CC1 ZINC000487016386 999037286 /nfs/dbraw/zinc/03/72/86/999037286.db2.gz ZXCWLZAQEXAGRD-HSZRJFAPSA-N 2 1 405.586 3.965 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1)C1CC1 ZINC000487016386 999037291 /nfs/dbraw/zinc/03/72/91/999037291.db2.gz ZXCWLZAQEXAGRD-HSZRJFAPSA-N 2 1 405.586 3.965 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000487031358 999042558 /nfs/dbraw/zinc/04/25/58/999042558.db2.gz TXBNKCKLMIGKGV-QHCPKHFHSA-N 2 1 423.626 3.530 20 0 HHADMP C[C@H](CNC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000487060777 999051329 /nfs/dbraw/zinc/05/13/29/999051329.db2.gz BPSLTCYYWJMEIJ-DPLHUUCSSA-N 2 1 408.590 3.717 20 0 HHADMP C[C@H](CNC(=O)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000487060777 999051332 /nfs/dbraw/zinc/05/13/32/999051332.db2.gz BPSLTCYYWJMEIJ-DPLHUUCSSA-N 2 1 408.590 3.717 20 0 HHADMP C[C@H](CNC(=O)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000487060777 999051334 /nfs/dbraw/zinc/05/13/34/999051334.db2.gz BPSLTCYYWJMEIJ-DPLHUUCSSA-N 2 1 408.590 3.717 20 0 HHADMP CC(C)[NH+](CCn1c(SCCc2c[nH+]cn2C)nc2ccccc2c1=O)C(C)C ZINC000487089205 999059586 /nfs/dbraw/zinc/05/95/86/999059586.db2.gz NEBPYHSRKCOVNY-UHFFFAOYSA-N 2 1 413.591 3.584 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N[C@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)[nH+]1 ZINC000487129305 999076159 /nfs/dbraw/zinc/07/61/59/999076159.db2.gz QJKAUOQIQWRGLO-IFMALSPDSA-N 2 1 421.589 3.569 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N[C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)[nH+]1 ZINC000487129305 999076163 /nfs/dbraw/zinc/07/61/63/999076163.db2.gz QJKAUOQIQWRGLO-IFMALSPDSA-N 2 1 421.589 3.569 20 0 HHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)CC1 ZINC000487225464 999103380 /nfs/dbraw/zinc/10/33/80/999103380.db2.gz BLTCLWDNEOMYLV-UHFFFAOYSA-N 2 1 422.573 3.604 20 0 HHADMP C[C@@H]1[C@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000478903669 999202824 /nfs/dbraw/zinc/20/28/24/999202824.db2.gz XOWYINBJOGNBGP-PXDATVDWSA-N 2 1 420.601 3.656 20 0 HHADMP C[NH+]1CCN(c2cccc(Cl)c2CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000478952576 999219297 /nfs/dbraw/zinc/21/92/97/999219297.db2.gz BMEVBJZUHVMLJT-OAQYLSRUSA-N 2 1 413.009 3.704 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000479073166 999280881 /nfs/dbraw/zinc/28/08/81/999280881.db2.gz DCIOBAJCDDCGSM-XQBPLPMBSA-N 2 1 415.603 3.512 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000479073166 999280887 /nfs/dbraw/zinc/28/08/87/999280887.db2.gz DCIOBAJCDDCGSM-XQBPLPMBSA-N 2 1 415.603 3.512 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000487814075 999299345 /nfs/dbraw/zinc/29/93/45/999299345.db2.gz FORUAEQYNUEVDQ-YSSFQJQWSA-N 2 1 410.553 3.764 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000487814075 999299350 /nfs/dbraw/zinc/29/93/50/999299350.db2.gz FORUAEQYNUEVDQ-YSSFQJQWSA-N 2 1 410.553 3.764 20 0 HHADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(Cc2cccc(F)c2)no1 ZINC000488135978 999388717 /nfs/dbraw/zinc/38/87/17/999388717.db2.gz QJWSLNZXHODWFD-UHFFFAOYSA-N 2 1 409.509 3.933 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(Cc2cccc(F)c2)no1 ZINC000488135978 999388719 /nfs/dbraw/zinc/38/87/19/999388719.db2.gz QJWSLNZXHODWFD-UHFFFAOYSA-N 2 1 409.509 3.933 20 0 HHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479333311 999390081 /nfs/dbraw/zinc/39/00/81/999390081.db2.gz WOKLYUARYXNCKX-ZIAGYGMSSA-N 2 1 422.422 3.804 20 0 HHADMP COc1c(Br)cccc1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000479553323 999474656 /nfs/dbraw/zinc/47/46/56/999474656.db2.gz JOOBHFASCOFLBK-INIZCTEOSA-N 2 1 419.363 3.968 20 0 HHADMP COc1c(Br)cccc1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000479553323 999474657 /nfs/dbraw/zinc/47/46/57/999474657.db2.gz JOOBHFASCOFLBK-INIZCTEOSA-N 2 1 419.363 3.968 20 0 HHADMP COc1ccc([C@@H](CNC(=O)C[N@H+](C)Cc2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000479559014 999477238 /nfs/dbraw/zinc/47/72/38/999477238.db2.gz SOKBTTOZKORAEO-XMMPIXPASA-N 2 1 409.574 3.779 20 0 HHADMP COc1ccc([C@@H](CNC(=O)C[N@@H+](C)Cc2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000479559014 999477241 /nfs/dbraw/zinc/47/72/41/999477241.db2.gz SOKBTTOZKORAEO-XMMPIXPASA-N 2 1 409.574 3.779 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000488478568 999501363 /nfs/dbraw/zinc/50/13/63/999501363.db2.gz PNTLBZWSVYIENC-HYBUGGRVSA-N 2 1 423.626 3.876 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000488546460 999523453 /nfs/dbraw/zinc/52/34/53/999523453.db2.gz KWHSTCZKSRKKJX-BVYCBKJFSA-N 2 1 420.548 3.758 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000488546460 999523454 /nfs/dbraw/zinc/52/34/54/999523454.db2.gz KWHSTCZKSRKKJX-BVYCBKJFSA-N 2 1 420.548 3.758 20 0 HHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000479882193 999635180 /nfs/dbraw/zinc/63/51/80/999635180.db2.gz DTRORKQQRPKUGC-SFHVURJKSA-N 2 1 408.546 3.654 20 0 HHADMP CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000479955134 999661940 /nfs/dbraw/zinc/66/19/40/999661940.db2.gz HYIGNPYMYDYQGI-OYRHEFFESA-N 2 1 402.542 3.978 20 0 HHADMP CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000479955134 999661943 /nfs/dbraw/zinc/66/19/43/999661943.db2.gz HYIGNPYMYDYQGI-OYRHEFFESA-N 2 1 402.542 3.978 20 0 HHADMP COc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000479962911 999665538 /nfs/dbraw/zinc/66/55/38/999665538.db2.gz SGYQHMLXDIHJIX-HDICACEKSA-N 2 1 406.448 3.944 20 0 HHADMP COc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000479962911 999665541 /nfs/dbraw/zinc/66/55/41/999665541.db2.gz SGYQHMLXDIHJIX-HDICACEKSA-N 2 1 406.448 3.944 20 0 HHADMP C[NH+](C)C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000489178963 999717107 /nfs/dbraw/zinc/71/71/07/999717107.db2.gz XXZABCMPISSDEJ-LAUBAEHRSA-N 2 1 418.582 3.701 20 0 HHADMP C[NH+](C)C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000489178962 999717171 /nfs/dbraw/zinc/71/71/71/999717171.db2.gz XXZABCMPISSDEJ-DYESRHJHSA-N 2 1 418.582 3.701 20 0 HHADMP C[C@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000489338427 999748465 /nfs/dbraw/zinc/74/84/65/999748465.db2.gz WGHUAQXJGBYHMV-OAQYLSRUSA-N 2 1 420.601 3.739 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000489407767 999760662 /nfs/dbraw/zinc/76/06/62/999760662.db2.gz UUJMPHAZBFERBF-RDPSFJRHSA-N 2 1 408.590 3.848 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000489407767 999760663 /nfs/dbraw/zinc/76/06/63/999760663.db2.gz UUJMPHAZBFERBF-RDPSFJRHSA-N 2 1 408.590 3.848 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000489407767 999760664 /nfs/dbraw/zinc/76/06/64/999760664.db2.gz UUJMPHAZBFERBF-RDPSFJRHSA-N 2 1 408.590 3.848 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000489445086 999769121 /nfs/dbraw/zinc/76/91/21/999769121.db2.gz LFSJCEPQUHZTHX-YKSBVNFPSA-N 2 1 412.622 3.993 20 0 HHADMP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000489616794 999803566 /nfs/dbraw/zinc/80/35/66/999803566.db2.gz ARDKUXQWLKECMB-PQNGQFLHSA-N 2 1 408.590 3.717 20 0 HHADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000489616794 999803567 /nfs/dbraw/zinc/80/35/67/999803567.db2.gz ARDKUXQWLKECMB-PQNGQFLHSA-N 2 1 408.590 3.717 20 0 HHADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000489616794 999803569 /nfs/dbraw/zinc/80/35/69/999803569.db2.gz ARDKUXQWLKECMB-PQNGQFLHSA-N 2 1 408.590 3.717 20 0 HHADMP C[C@@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000489631554 999806287 /nfs/dbraw/zinc/80/62/87/999806287.db2.gz NOONBRUSYDAYGF-NRFANRHFSA-N 2 1 408.590 3.813 20 0 HHADMP COc1ccccc1[C@@H](C)NC(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489632191 999806511 /nfs/dbraw/zinc/80/65/11/999806511.db2.gz GHBCLQJGBRGUSO-HXUWFJFHSA-N 2 1 409.574 3.716 20 0 HHADMP Cc1ccccc1CCNC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489636284 999807405 /nfs/dbraw/zinc/80/74/05/999807405.db2.gz SPBHRRAWKLCTDL-JOCHJYFZSA-N 2 1 407.602 3.886 20 0 HHADMP C[N@@H+](CCCNC(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1)C1CCCCC1 ZINC000489737062 999828135 /nfs/dbraw/zinc/82/81/35/999828135.db2.gz DYJKLSNSRCRFGS-JOCHJYFZSA-N 2 1 400.611 3.505 20 0 HHADMP C[NH+](CCCNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CCCCC1 ZINC000489737062 999828139 /nfs/dbraw/zinc/82/81/39/999828139.db2.gz DYJKLSNSRCRFGS-JOCHJYFZSA-N 2 1 400.611 3.505 20 0 HHADMP C[NH+](CCCNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCCCC1 ZINC000489737062 999828142 /nfs/dbraw/zinc/82/81/42/999828142.db2.gz DYJKLSNSRCRFGS-JOCHJYFZSA-N 2 1 400.611 3.505 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000489773164 999835453 /nfs/dbraw/zinc/83/54/53/999835453.db2.gz KOHYJPPWSSQSSK-LOSJGSFVSA-N 2 1 420.601 3.515 20 0 HHADMP O=C(NC[C@@H]1CC[NH+](CCc2ccccc2)C1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000489773164 999835455 /nfs/dbraw/zinc/83/54/55/999835455.db2.gz KOHYJPPWSSQSSK-LOSJGSFVSA-N 2 1 420.601 3.515 20 0 HHADMP O=C(NC[C@@H]1CC[NH+](CCc2ccccc2)C1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000489773164 999835458 /nfs/dbraw/zinc/83/54/58/999835458.db2.gz KOHYJPPWSSQSSK-LOSJGSFVSA-N 2 1 420.601 3.515 20 0 HHADMP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)cn2)C[C@H](C)O1 ZINC000480610463 999840435 /nfs/dbraw/zinc/84/04/35/999840435.db2.gz JBXGLJXHPLELGM-VMIIQTFKSA-N 2 1 408.590 3.695 20 0 HHADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000480613139 999841221 /nfs/dbraw/zinc/84/12/21/999841221.db2.gz MIPSREOFDJTTKC-OALUTQOASA-N 2 1 415.603 3.820 20 0 HHADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1 ZINC000480613139 999841224 /nfs/dbraw/zinc/84/12/24/999841224.db2.gz MIPSREOFDJTTKC-OALUTQOASA-N 2 1 415.603 3.820 20 0 HHADMP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cccc(-c2ccncc2)c1 ZINC000480619419 999842549 /nfs/dbraw/zinc/84/25/49/999842549.db2.gz ZYIHFXIRUMUBFW-FQEVSTJZSA-N 2 1 414.553 3.987 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000489822578 999844386 /nfs/dbraw/zinc/84/43/86/999844386.db2.gz BJSDFTISAIHZJH-SQJMNOBHSA-N 2 1 420.601 3.992 20 0 HHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000489832465 999845999 /nfs/dbraw/zinc/84/59/99/999845999.db2.gz CDCSIFVKKZYODP-RCZVLFRGSA-N 2 1 422.617 3.979 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000489847296 999848728 /nfs/dbraw/zinc/84/87/28/999848728.db2.gz ZEFFQXHIABDFBD-ZCYQVOJMSA-N 2 1 420.601 3.687 20 0 HHADMP CC[N@@H+](C)[C@H](C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1)c1ccccc1 ZINC000489977764 999872073 /nfs/dbraw/zinc/87/20/73/999872073.db2.gz BVURMQFDQGSHMF-DEOSSOPVSA-N 2 1 409.574 3.716 20 0 HHADMP COc1ccc(-c2noc([C@@H](C)[NH+]3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n2)cc1 ZINC000490084214 999890553 /nfs/dbraw/zinc/89/05/53/999890553.db2.gz YFGXANYTMKEFFU-FGTMMUONSA-N 2 1 414.550 3.627 20 0 HHADMP COc1ccc(-c2noc([C@@H](C)[NH+]3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n2)cc1 ZINC000490084214 999890554 /nfs/dbraw/zinc/89/05/54/999890554.db2.gz YFGXANYTMKEFFU-FGTMMUONSA-N 2 1 414.550 3.627 20 0 HHADMP COc1ccc(-c2noc([C@H](C)[NH+]3CCC(C[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)n2)cc1 ZINC000490084464 999890583 /nfs/dbraw/zinc/89/05/83/999890583.db2.gz YFGXANYTMKEFFU-KURKYZTESA-N 2 1 414.550 3.627 20 0 HHADMP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]3CCOCC3)c1)[C@@H](C)C2 ZINC000490167611 999903329 /nfs/dbraw/zinc/90/33/29/999903329.db2.gz LIRXSGAKYOHSQE-DFBJGRDBSA-N 2 1 407.558 3.679 20 0 HHADMP C[C@H]1C[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490633349 999986832 /nfs/dbraw/zinc/98/68/32/999986832.db2.gz ZYCJXLRBTBLPHQ-GHTZIAJQSA-N 2 1 413.528 3.822 20 0 HHADMP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490755189 1000001300 /nfs/dbraw/zinc/00/13/00/1000001300.db2.gz GIRMEDFCBXONJJ-APTRMMRNSA-N 2 1 409.549 3.817 20 0 HHADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490755189 1000001303 /nfs/dbraw/zinc/00/13/03/1000001303.db2.gz GIRMEDFCBXONJJ-APTRMMRNSA-N 2 1 409.549 3.817 20 0 HHADMP C[C@H](NC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490755189 1000001310 /nfs/dbraw/zinc/00/13/10/1000001310.db2.gz GIRMEDFCBXONJJ-APTRMMRNSA-N 2 1 409.549 3.817 20 0 HHADMP C[C@H](NC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490755189 1000001312 /nfs/dbraw/zinc/00/13/12/1000001312.db2.gz GIRMEDFCBXONJJ-APTRMMRNSA-N 2 1 409.549 3.817 20 0 HHADMP C[C@H](NC(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490825833 1000012552 /nfs/dbraw/zinc/01/25/52/1000012552.db2.gz LCPYLWVTKCOFLL-PZJWPPBQSA-N 2 1 410.562 3.659 20 0 HHADMP C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000490964594 1000028637 /nfs/dbraw/zinc/02/86/37/1000028637.db2.gz UUQLICSCAIRNEW-LJQANCHMSA-N 2 1 404.624 3.869 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000490964594 1000028639 /nfs/dbraw/zinc/02/86/39/1000028639.db2.gz UUQLICSCAIRNEW-LJQANCHMSA-N 2 1 404.624 3.869 20 0 HHADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC[N@H+](C2CCC2)C1 ZINC000490992450 1000031446 /nfs/dbraw/zinc/03/14/46/1000031446.db2.gz VXRBZEHVLHURID-NZQKXSOJSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC[NH+](C2CCC2)C1 ZINC000490992450 1000031448 /nfs/dbraw/zinc/03/14/48/1000031448.db2.gz VXRBZEHVLHURID-NZQKXSOJSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC[NH+](C2CCC2)C1 ZINC000490992450 1000031451 /nfs/dbraw/zinc/03/14/51/1000031451.db2.gz VXRBZEHVLHURID-NZQKXSOJSA-N 2 1 412.622 3.803 20 0 HHADMP C[NH+]1CCC(CC[NH2+][C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)cc2F)CC1 ZINC000491009667 1000033755 /nfs/dbraw/zinc/03/37/55/1000033755.db2.gz RBUOWZZZRIVKDR-JOCHJYFZSA-N 2 1 422.541 3.779 20 0 HHADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000491024356 1000035347 /nfs/dbraw/zinc/03/53/47/1000035347.db2.gz XDBQTPSKSWXUNU-CZSZKKDXSA-N 2 1 420.601 3.958 20 0 HHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000491029430 1000036274 /nfs/dbraw/zinc/03/62/74/1000036274.db2.gz IWBWIELVNIGFCL-KSFYIVLOSA-N 2 1 415.534 3.749 20 0 HHADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000491147253 1000050183 /nfs/dbraw/zinc/05/01/83/1000050183.db2.gz WUQHZPVWCKZWGC-WMIMKTLMSA-N 2 1 412.622 3.660 20 0 HHADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000491147253 1000050185 /nfs/dbraw/zinc/05/01/85/1000050185.db2.gz WUQHZPVWCKZWGC-WMIMKTLMSA-N 2 1 412.622 3.660 20 0 HHADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000491147253 1000050188 /nfs/dbraw/zinc/05/01/88/1000050188.db2.gz WUQHZPVWCKZWGC-WMIMKTLMSA-N 2 1 412.622 3.660 20 0 HHADMP C[C@H](NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000492578702 1000133406 /nfs/dbraw/zinc/13/34/06/1000133406.db2.gz IEUVMCREKNTGDZ-FJIJXJHWSA-N 2 1 408.590 3.542 20 0 HHADMP C[C@@H]1C[N@@H+](CCSc2ccnc3cc(Cl)ccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000492782494 1000143783 /nfs/dbraw/zinc/14/37/83/1000143783.db2.gz HIMSNXDTODOBJS-DYESRHJHSA-N 2 1 419.038 3.938 20 0 HHADMP COc1ccc([C@@H]2CC[N@H+]([C@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000504521325 1000248588 /nfs/dbraw/zinc/24/85/88/1000248588.db2.gz KPTLFXOSCOPRTF-NFBKMPQASA-N 2 1 421.585 3.654 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccccc1 ZINC000504615961 1000294118 /nfs/dbraw/zinc/29/41/18/1000294118.db2.gz WLZHGSKVECHDFA-NHCUHLMSSA-N 2 1 401.501 3.563 20 0 HHADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504931026 1000455382 /nfs/dbraw/zinc/45/53/82/1000455382.db2.gz RSLFCMNJTOQXHW-FGZHOGPDSA-N 2 1 410.562 3.770 20 0 HHADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)c2C1 ZINC000494510732 1000532370 /nfs/dbraw/zinc/53/23/70/1000532370.db2.gz ZUANPCHSFXNAPF-UHFFFAOYSA-N 2 1 406.574 3.658 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1cccs1 ZINC000505158813 1000585028 /nfs/dbraw/zinc/58/50/28/1000585028.db2.gz ATLLBDSOVLGHPN-ZWKOTPCHSA-N 2 1 407.530 3.624 20 0 HHADMP CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc(C[NH+]4CCC(CO)CC4)cc3)c2C1 ZINC000494724134 1000623257 /nfs/dbraw/zinc/62/32/57/1000623257.db2.gz UFLQVEZRHWQDAM-UHFFFAOYSA-N 2 1 407.558 3.869 20 0 HHADMP CCC[N@H+]1Cc2cccc(NC(=O)c3ccc(C[NH+]4CCC(CO)CC4)cc3)c2C1 ZINC000494724134 1000623262 /nfs/dbraw/zinc/62/32/62/1000623262.db2.gz UFLQVEZRHWQDAM-UHFFFAOYSA-N 2 1 407.558 3.869 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000494942657 1000743781 /nfs/dbraw/zinc/74/37/81/1000743781.db2.gz YHQOSSCKCZIFQT-GUDVDZBRSA-N 2 1 408.468 3.779 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000494942657 1000743787 /nfs/dbraw/zinc/74/37/87/1000743787.db2.gz YHQOSSCKCZIFQT-GUDVDZBRSA-N 2 1 408.468 3.779 20 0 HHADMP Cn1ncc(Br)c1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000494994831 1000768193 /nfs/dbraw/zinc/76/81/93/1000768193.db2.gz KSPGNDNGPOSUNA-UHFFFAOYSA-N 2 1 403.368 3.671 20 0 HHADMP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000505691901 1000978283 /nfs/dbraw/zinc/97/82/83/1000978283.db2.gz MGWAFHYKOZCLMU-ZEQRLZLVSA-N 2 1 418.585 3.730 20 0 HHADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000505691901 1000978288 /nfs/dbraw/zinc/97/82/88/1000978288.db2.gz MGWAFHYKOZCLMU-ZEQRLZLVSA-N 2 1 418.585 3.730 20 0 HHADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000505761460 1001010596 /nfs/dbraw/zinc/01/05/96/1001010596.db2.gz HAPAMEHLFOMFPR-RDGATRHJSA-N 2 1 422.573 3.724 20 0 HHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000495434205 1001011384 /nfs/dbraw/zinc/01/13/84/1001011384.db2.gz QRNOZASETIEKPM-BBTUJRGHSA-N 2 1 401.576 3.619 20 0 HHADMP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccccc3Br)cn2)CC1 ZINC000495531915 1001041494 /nfs/dbraw/zinc/04/14/94/1001041494.db2.gz WCOTWKVOMMVJNH-MRXNPFEDSA-N 2 1 403.368 3.837 20 0 HHADMP COc1ccc(CCC[N@@H+](C)[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000497458534 1001377390 /nfs/dbraw/zinc/37/73/90/1001377390.db2.gz DFXYPKAFENHUBV-NRFANRHFSA-N 2 1 423.601 3.729 20 0 HHADMP CN(Cc1ccccc1N(C)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000506405832 1001398643 /nfs/dbraw/zinc/39/86/43/1001398643.db2.gz UXHOBGMXOJDXKV-VWLOTQADSA-N 2 1 406.618 3.923 20 0 HHADMP CN(c1ccccc1C[N@H+](C)[C@H]1CCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000506405832 1001398646 /nfs/dbraw/zinc/39/86/46/1001398646.db2.gz UXHOBGMXOJDXKV-VWLOTQADSA-N 2 1 406.618 3.923 20 0 HHADMP CN(c1ccccc1C[N@@H+](C)[C@H]1CCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000506405832 1001398651 /nfs/dbraw/zinc/39/86/51/1001398651.db2.gz UXHOBGMXOJDXKV-VWLOTQADSA-N 2 1 406.618 3.923 20 0 HHADMP CS[C@H]1CN(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C[C@H]1[NH+](C)C ZINC000497651733 1001472973 /nfs/dbraw/zinc/47/29/73/1001472973.db2.gz LYHPUQJJXAWZSK-MOPGFXCFSA-N 2 1 401.580 3.564 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)[NH+](C)C)cc1 ZINC000506621466 1001473922 /nfs/dbraw/zinc/47/39/22/1001473922.db2.gz RPMPCQHXDMOPLX-XPNTWCBSSA-N 2 1 400.611 3.894 20 0 HHADMP CN(CC[NH+]1CCCC1)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000497724973 1001496541 /nfs/dbraw/zinc/49/65/41/1001496541.db2.gz FWRLGEWNUBAITG-UHFFFAOYSA-N 2 1 413.393 3.695 20 0 HHADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@H](c3ccccc3)[NH+]3CCc4sccc4C3)[C@H]2C1 ZINC000498137192 1001658366 /nfs/dbraw/zinc/65/83/66/1001658366.db2.gz UNVWUYMCCUNBKM-FCEUIQTBSA-N 2 1 424.614 3.583 20 0 HHADMP C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@H](c3ccccc3)[NH+]3CCc4sccc4C3)[C@H]2C1 ZINC000498137192 1001658367 /nfs/dbraw/zinc/65/83/67/1001658367.db2.gz UNVWUYMCCUNBKM-FCEUIQTBSA-N 2 1 424.614 3.583 20 0 HHADMP C[NH+]1CC[C@@H]2CCN(C(=O)NC[C@H](c3ccccc3)[N@@H+]3CCc4sccc4C3)[C@H]2C1 ZINC000498137192 1001658370 /nfs/dbraw/zinc/65/83/70/1001658370.db2.gz UNVWUYMCCUNBKM-FCEUIQTBSA-N 2 1 424.614 3.583 20 0 HHADMP C[NH+]1CC[C@@H]2CCN(C(=O)NC[C@H](c3ccccc3)[N@H+]3CCc4sccc4C3)[C@H]2C1 ZINC000498137192 1001658371 /nfs/dbraw/zinc/65/83/71/1001658371.db2.gz UNVWUYMCCUNBKM-FCEUIQTBSA-N 2 1 424.614 3.583 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000506948625 1001722833 /nfs/dbraw/zinc/72/28/33/1001722833.db2.gz HAINXUGGQMDBSZ-KNKQGSTJSA-N 2 1 404.574 3.724 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000506951170 1001724686 /nfs/dbraw/zinc/72/46/86/1001724686.db2.gz MSGRFDBVOVUBPT-DXIQSLLYSA-N 2 1 404.574 3.724 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000498273536 1001747783 /nfs/dbraw/zinc/74/77/83/1001747783.db2.gz CSZYWEGCWSKZOF-DGQTTZFYSA-N 2 1 422.976 3.598 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000498273536 1001747788 /nfs/dbraw/zinc/74/77/88/1001747788.db2.gz CSZYWEGCWSKZOF-DGQTTZFYSA-N 2 1 422.976 3.598 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000498273536 1001747791 /nfs/dbraw/zinc/74/77/91/1001747791.db2.gz CSZYWEGCWSKZOF-DGQTTZFYSA-N 2 1 422.976 3.598 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000498664941 1002058781 /nfs/dbraw/zinc/05/87/81/1002058781.db2.gz BVERDWRQLIUVCH-GUGJDKNPSA-N 2 1 420.548 3.614 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000498664941 1002058793 /nfs/dbraw/zinc/05/87/93/1002058793.db2.gz BVERDWRQLIUVCH-GUGJDKNPSA-N 2 1 420.548 3.614 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000498664941 1002058804 /nfs/dbraw/zinc/05/88/04/1002058804.db2.gz BVERDWRQLIUVCH-GUGJDKNPSA-N 2 1 420.548 3.614 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000498664941 1002058818 /nfs/dbraw/zinc/05/88/18/1002058818.db2.gz BVERDWRQLIUVCH-GUGJDKNPSA-N 2 1 420.548 3.614 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000498680034 1002071237 /nfs/dbraw/zinc/07/12/37/1002071237.db2.gz INPPXDCFDHSCNR-XCBAANBCSA-N 2 1 408.537 3.613 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000498680034 1002071247 /nfs/dbraw/zinc/07/12/47/1002071247.db2.gz INPPXDCFDHSCNR-XCBAANBCSA-N 2 1 408.537 3.613 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000498680034 1002071255 /nfs/dbraw/zinc/07/12/55/1002071255.db2.gz INPPXDCFDHSCNR-XCBAANBCSA-N 2 1 408.537 3.613 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000498680034 1002071267 /nfs/dbraw/zinc/07/12/67/1002071267.db2.gz INPPXDCFDHSCNR-XCBAANBCSA-N 2 1 408.537 3.613 20 0 HHADMP C[NH+]1CCC(C)(C[NH2+][C@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)CC1 ZINC000507441509 1002071681 /nfs/dbraw/zinc/07/16/81/1002071681.db2.gz LRHLKGNARPDHOL-OAQYLSRUSA-N 2 1 422.541 3.779 20 0 HHADMP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498707383 1002091094 /nfs/dbraw/zinc/09/10/94/1002091094.db2.gz SXPBGXJDCSFFKA-ZJSXRUAMSA-N 2 1 408.590 3.670 20 0 HHADMP C[NH+]1CCC(C)(C[NH2+][C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)cc2F)CC1 ZINC000507472743 1002091746 /nfs/dbraw/zinc/09/17/46/1002091746.db2.gz FQXKZWXKXMOUCK-OAQYLSRUSA-N 2 1 422.541 3.779 20 0 HHADMP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498714419 1002096628 /nfs/dbraw/zinc/09/66/28/1002096628.db2.gz LGMVSNSZTXYGLX-TZIWHRDSSA-N 2 1 414.619 3.732 20 0 HHADMP C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000498722187 1002104915 /nfs/dbraw/zinc/10/49/15/1002104915.db2.gz NQPQLQOLBABGEH-NKKJXINNSA-N 2 1 406.574 3.595 20 0 HHADMP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000498722187 1002104922 /nfs/dbraw/zinc/10/49/22/1002104922.db2.gz NQPQLQOLBABGEH-NKKJXINNSA-N 2 1 406.574 3.595 20 0 HHADMP C[C@H](NC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498722187 1002104926 /nfs/dbraw/zinc/10/49/26/1002104926.db2.gz NQPQLQOLBABGEH-NKKJXINNSA-N 2 1 406.574 3.595 20 0 HHADMP C[C@H](NC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498722187 1002104934 /nfs/dbraw/zinc/10/49/34/1002104934.db2.gz NQPQLQOLBABGEH-NKKJXINNSA-N 2 1 406.574 3.595 20 0 HHADMP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc2)CC1 ZINC000507510142 1002120422 /nfs/dbraw/zinc/12/04/22/1002120422.db2.gz MFAJLEHCUPPQCO-GVXSCFBNSA-N 2 1 419.617 3.935 20 0 HHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H](CN4CCOCC4)c4ccccc4)[C@@H]3C2)cc1 ZINC000507529902 1002138460 /nfs/dbraw/zinc/13/84/60/1002138460.db2.gz PBTNNNRROMKLOX-QYOOZWMWSA-N 2 1 405.586 3.560 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H](CN4CCOCC4)c4ccccc4)[C@@H]3C2)cc1 ZINC000507529902 1002138467 /nfs/dbraw/zinc/13/84/67/1002138467.db2.gz PBTNNNRROMKLOX-QYOOZWMWSA-N 2 1 405.586 3.560 20 0 HHADMP CCC[NH+]1CCN(c2ccc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)c(OCC)c2)CC1 ZINC000507593367 1002198891 /nfs/dbraw/zinc/19/88/91/1002198891.db2.gz LTUNSOSMQKROJM-FQEVSTJZSA-N 2 1 416.610 3.820 20 0 HHADMP CC[N@@H+](CCc1cccs1)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000507658386 1002256564 /nfs/dbraw/zinc/25/65/64/1002256564.db2.gz NJGLCZYALIQYKR-UHFFFAOYSA-N 2 1 403.617 3.800 20 0 HHADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000498893775 1002283706 /nfs/dbraw/zinc/28/37/06/1002283706.db2.gz JYEFFJSOMZDNSU-CKUXNOBLSA-N 2 1 424.589 3.650 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1cccc(C)c1)c1ccccn1 ZINC000499001072 1002379997 /nfs/dbraw/zinc/37/99/97/1002379997.db2.gz CERCVZRFZTUYEO-LADGPHEKSA-N 2 1 423.605 3.537 20 0 HHADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000499102063 1002492864 /nfs/dbraw/zinc/49/28/64/1002492864.db2.gz QDSWICGKVVXSLQ-FOVJLYNBSA-N 2 1 424.589 3.508 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000499104557 1002496555 /nfs/dbraw/zinc/49/65/55/1002496555.db2.gz WYBXKEBBJSQKNG-SXSPYAJSSA-N 2 1 412.553 3.638 20 0 HHADMP O=C(CC(F)(F)F)N1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000499148223 1002532763 /nfs/dbraw/zinc/53/27/63/1002532763.db2.gz CHTBIKVOXLMIOR-OWZKRDHZSA-N 2 1 409.496 3.715 20 0 HHADMP Fc1ccc([C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)N2CCOCC2)cc1 ZINC000499153067 1002536352 /nfs/dbraw/zinc/53/63/52/1002536352.db2.gz QQFWESJJDOQJAU-XDZVQPMWSA-N 2 1 423.576 3.984 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(OCc2cccs2)c1 ZINC000508107305 1002632544 /nfs/dbraw/zinc/63/25/44/1002632544.db2.gz XCIZPJGWKGGIGX-HXUWFJFHSA-N 2 1 415.603 3.815 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)CCC[N@H+](C)Cc2ccco2)cc1 ZINC000499312588 1002719677 /nfs/dbraw/zinc/71/96/77/1002719677.db2.gz KQPKXKIFSHXBLF-SFHVURJKSA-N 2 1 409.534 3.998 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)CCC[N@@H+](C)Cc2ccco2)cc1 ZINC000499312588 1002719691 /nfs/dbraw/zinc/71/96/91/1002719691.db2.gz KQPKXKIFSHXBLF-SFHVURJKSA-N 2 1 409.534 3.998 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000508187602 1002722645 /nfs/dbraw/zinc/72/26/45/1002722645.db2.gz PNIOEYKRTOEGSF-BGYRXZFFSA-N 2 1 400.611 3.648 20 0 HHADMP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000508306635 1002812768 /nfs/dbraw/zinc/81/27/68/1002812768.db2.gz AQIIJWLLCKZREM-UHFFFAOYSA-N 2 1 409.599 3.584 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000499578755 1002956327 /nfs/dbraw/zinc/95/63/27/1002956327.db2.gz YNGIXGKGBVWAKE-WOJBJXKFSA-N 2 1 410.562 3.754 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000508501796 1002983570 /nfs/dbraw/zinc/98/35/70/1002983570.db2.gz FMWYGFLESJRRKI-NRFANRHFSA-N 2 1 407.549 3.724 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000508603415 1003058745 /nfs/dbraw/zinc/05/87/45/1003058745.db2.gz IORPLBVYCBAAJR-BGYRXZFFSA-N 2 1 403.636 3.723 20 0 HHADMP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC000508693537 1003131631 /nfs/dbraw/zinc/13/16/31/1003131631.db2.gz CYAQCZZDIGLNNW-SONWIMMPSA-N 2 1 406.618 3.697 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508693799 1003132145 /nfs/dbraw/zinc/13/21/45/1003132145.db2.gz BQCJMVUHQCBEKW-BWKNWUBXSA-N 2 1 401.554 3.897 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508700483 1003137929 /nfs/dbraw/zinc/13/79/29/1003137929.db2.gz QTAGLROPBVQURF-AMDXRBSFSA-N 2 1 421.585 3.596 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508712117 1003150415 /nfs/dbraw/zinc/15/04/15/1003150415.db2.gz BTVJRJDYHWOEBH-VXJVQAQCSA-N 2 1 413.512 3.737 20 0 HHADMP C[C@H]([NH2+][C@H]1CCN(CCCc2ccccc2)C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508712183 1003150451 /nfs/dbraw/zinc/15/04/51/1003150451.db2.gz CFLVJKOCULTAIG-GPUOULLFSA-N 2 1 405.586 3.720 20 0 HHADMP C[C@H]([NH2+][C@H]1CCN(CCCc2ccccc2)C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508712183 1003150455 /nfs/dbraw/zinc/15/04/55/1003150455.db2.gz CFLVJKOCULTAIG-GPUOULLFSA-N 2 1 405.586 3.720 20 0 HHADMP C[C@H]([NH2+][C@H]1CCN(CCCc2ccccc2)C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508712187 1003150657 /nfs/dbraw/zinc/15/06/57/1003150657.db2.gz CFLVJKOCULTAIG-TUSQITKMSA-N 2 1 405.586 3.720 20 0 HHADMP C[C@H]([NH2+][C@H]1CCN(CCCc2ccccc2)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508712187 1003150652 /nfs/dbraw/zinc/15/06/52/1003150652.db2.gz CFLVJKOCULTAIG-TUSQITKMSA-N 2 1 405.586 3.720 20 0 HHADMP C[C@H]([NH2+][C@@H]1CCN(CCCc2ccccc2)C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508712182 1003150772 /nfs/dbraw/zinc/15/07/72/1003150772.db2.gz CFLVJKOCULTAIG-FTBPSBKWSA-N 2 1 405.586 3.720 20 0 HHADMP C[C@H]([NH2+][C@@H]1CCN(CCCc2ccccc2)C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508712182 1003150782 /nfs/dbraw/zinc/15/07/82/1003150782.db2.gz CFLVJKOCULTAIG-FTBPSBKWSA-N 2 1 405.586 3.720 20 0 HHADMP Cc1cccc([C@H](C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)N2CCOCC2)c1 ZINC000508719501 1003159973 /nfs/dbraw/zinc/15/99/73/1003159973.db2.gz KWJUHZZNYZHZTO-RZFJZAQRSA-N 2 1 407.602 3.869 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCOc3ccccc3Br)CC2)C[C@H](C)O1 ZINC000508856386 1003276552 /nfs/dbraw/zinc/27/65/52/1003276552.db2.gz AKDXWGJSKRZPCK-CALCHBBNSA-N 2 1 411.384 3.649 20 0 HHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](CCOc3ccccc3Br)CC2)C[C@H](C)O1 ZINC000508856386 1003276544 /nfs/dbraw/zinc/27/65/44/1003276544.db2.gz AKDXWGJSKRZPCK-CALCHBBNSA-N 2 1 411.384 3.649 20 0 HHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000500098885 1003460042 /nfs/dbraw/zinc/46/00/42/1003460042.db2.gz NQCUSXFUJNVEQZ-DEOSSOPVSA-N 2 1 408.590 3.992 20 0 HHADMP CC(C)[NH+]1CCN(CCCN2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)CC1 ZINC000500128298 1003489202 /nfs/dbraw/zinc/48/92/02/1003489202.db2.gz XZLHMPGYXMIVND-UHFFFAOYSA-N 2 1 412.666 3.923 20 0 HHADMP CC(C)N1CC[NH+](CCCN2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)CC1 ZINC000500128298 1003489207 /nfs/dbraw/zinc/48/92/07/1003489207.db2.gz XZLHMPGYXMIVND-UHFFFAOYSA-N 2 1 412.666 3.923 20 0 HHADMP CC(C)N1CC[NH+](CCCN2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)CC1 ZINC000500128298 1003489210 /nfs/dbraw/zinc/48/92/10/1003489210.db2.gz XZLHMPGYXMIVND-UHFFFAOYSA-N 2 1 412.666 3.923 20 0 HHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21)c1ccc(Cl)cc1 ZINC000509021449 1003492955 /nfs/dbraw/zinc/49/29/55/1003492955.db2.gz HVGVBRFKUTXKMU-HLAWJBBLSA-N 2 1 407.002 3.849 20 0 HHADMP CCC[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)c1ccc(Cl)cc1 ZINC000509021449 1003492970 /nfs/dbraw/zinc/49/29/70/1003492970.db2.gz HVGVBRFKUTXKMU-HLAWJBBLSA-N 2 1 407.002 3.849 20 0 HHADMP CCC[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)c1ccc(Cl)cc1 ZINC000509021449 1003492966 /nfs/dbraw/zinc/49/29/66/1003492966.db2.gz HVGVBRFKUTXKMU-HLAWJBBLSA-N 2 1 407.002 3.849 20 0 HHADMP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CCOCC1)c1ccccc1 ZINC000500482200 1003740981 /nfs/dbraw/zinc/74/09/81/1003740981.db2.gz BIDUKZQWJLGLOR-URXFXBBRSA-N 2 1 421.585 3.667 20 0 HHADMP CC[N@@H+](C)[C@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccccc1 ZINC000500503315 1003750814 /nfs/dbraw/zinc/75/08/14/1003750814.db2.gz PPMMCRHLSDNUPF-REWPJTCUSA-N 2 1 409.574 3.696 20 0 HHADMP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000500574901 1003792475 /nfs/dbraw/zinc/79/24/75/1003792475.db2.gz XEDFHAMHQSIJAE-HSZRJFAPSA-N 2 1 424.589 3.606 20 0 HHADMP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000500574901 1003792482 /nfs/dbraw/zinc/79/24/82/1003792482.db2.gz XEDFHAMHQSIJAE-HSZRJFAPSA-N 2 1 424.589 3.606 20 0 HHADMP C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3C(F)(F)F)cccc21 ZINC000509367261 1003795846 /nfs/dbraw/zinc/79/58/46/1003795846.db2.gz RNHYISWSROWCLF-INMHGKMJSA-N 2 1 413.484 3.919 20 0 HHADMP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000500601323 1003815808 /nfs/dbraw/zinc/81/58/08/1003815808.db2.gz SFBOWKDTZNNGHB-XMMPIXPASA-N 2 1 424.589 3.606 20 0 HHADMP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000500601323 1003815818 /nfs/dbraw/zinc/81/58/18/1003815818.db2.gz SFBOWKDTZNNGHB-XMMPIXPASA-N 2 1 424.589 3.606 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000500684397 1003892669 /nfs/dbraw/zinc/89/26/69/1003892669.db2.gz SAVRRMKBWOUPJD-JQVVWYNYSA-N 2 1 412.578 3.860 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000500684397 1003892681 /nfs/dbraw/zinc/89/26/81/1003892681.db2.gz SAVRRMKBWOUPJD-JQVVWYNYSA-N 2 1 412.578 3.860 20 0 HHADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)s1 ZINC000512097753 1004021484 /nfs/dbraw/zinc/02/14/84/1004021484.db2.gz FPKXXBNGTYIVOT-AWEZNQCLSA-N 2 1 409.397 3.583 20 0 HHADMP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H]2C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000512125243 1004040695 /nfs/dbraw/zinc/04/06/95/1004040695.db2.gz XVQPUTOAPRQQLC-MZKRTTBSSA-N 2 1 401.595 3.631 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H]2C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000512125243 1004040704 /nfs/dbraw/zinc/04/07/04/1004040704.db2.gz XVQPUTOAPRQQLC-MZKRTTBSSA-N 2 1 401.595 3.631 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000512125243 1004040708 /nfs/dbraw/zinc/04/07/08/1004040708.db2.gz XVQPUTOAPRQQLC-MZKRTTBSSA-N 2 1 401.595 3.631 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000512125243 1004040717 /nfs/dbraw/zinc/04/07/17/1004040717.db2.gz XVQPUTOAPRQQLC-MZKRTTBSSA-N 2 1 401.595 3.631 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000512189870 1004091318 /nfs/dbraw/zinc/09/13/18/1004091318.db2.gz QBTYRHQVFSLGHN-GOTSBHOMSA-N 2 1 414.638 3.954 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000512189870 1004091328 /nfs/dbraw/zinc/09/13/28/1004091328.db2.gz QBTYRHQVFSLGHN-GOTSBHOMSA-N 2 1 414.638 3.954 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000512189870 1004091335 /nfs/dbraw/zinc/09/13/35/1004091335.db2.gz QBTYRHQVFSLGHN-GOTSBHOMSA-N 2 1 414.638 3.954 20 0 HHADMP Cc1ccc(NCCCNC(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[nH+]c1 ZINC000509808578 1004114140 /nfs/dbraw/zinc/11/41/40/1004114140.db2.gz UYHLJEMLCMGLCR-IRLDBZIGSA-N 2 1 409.578 3.792 20 0 HHADMP Cc1ccc(NCCCNC(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[nH+]c1 ZINC000509808578 1004114149 /nfs/dbraw/zinc/11/41/49/1004114149.db2.gz UYHLJEMLCMGLCR-IRLDBZIGSA-N 2 1 409.578 3.792 20 0 HHADMP C[N@@H+](C[C@@H](O)COc1cccc2ccccc21)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501027926 1004131667 /nfs/dbraw/zinc/13/16/67/1004131667.db2.gz XOVGXTGUETUZOU-HSZRJFAPSA-N 2 1 405.542 3.823 20 0 HHADMP C[N@@H+](CCCCCn1nnc(-c2ccccc2)n1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501046200 1004147247 /nfs/dbraw/zinc/14/72/47/1004147247.db2.gz LQXQESQEZSWLHJ-UHFFFAOYSA-N 2 1 419.577 3.754 20 0 HHADMP Fc1ccc(C[N@@H+]2CCCN(CCC[NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000509849762 1004147887 /nfs/dbraw/zinc/14/78/87/1004147887.db2.gz KGZQPCCEACAXNL-UHFFFAOYSA-N 2 1 410.581 3.546 20 0 HHADMP Fc1ccc(C[N@H+]2CCCN(CCC[NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000509849762 1004147890 /nfs/dbraw/zinc/14/78/90/1004147890.db2.gz KGZQPCCEACAXNL-UHFFFAOYSA-N 2 1 410.581 3.546 20 0 HHADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCCN2CC[NH+](C(C)C)CC2)[C@H]2CCCC[C@@H]12 ZINC000501056032 1004158253 /nfs/dbraw/zinc/15/82/53/1004158253.db2.gz DKGAHEYMPLLLKL-NLPWIYRPSA-N 2 1 420.686 3.586 20 0 HHADMP CCC[N@H+](CC(=O)N([C@@H](C)C1CC1)C1CC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512277178 1004178113 /nfs/dbraw/zinc/17/81/13/1004178113.db2.gz FTKNQJUDGMQYKU-SFHVURJKSA-N 2 1 413.610 3.564 20 0 HHADMP CCC[N@@H+](CC(=O)N([C@@H](C)C1CC1)C1CC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512277178 1004178117 /nfs/dbraw/zinc/17/81/17/1004178117.db2.gz FTKNQJUDGMQYKU-SFHVURJKSA-N 2 1 413.610 3.564 20 0 HHADMP CCC[N@H+](CC(=O)N(C)Cc1ccccc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512278056 1004179092 /nfs/dbraw/zinc/17/90/92/1004179092.db2.gz IPGLINSNMTXEAX-UHFFFAOYSA-N 2 1 423.605 3.741 20 0 HHADMP CCC[N@@H+](CC(=O)N(C)Cc1ccccc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512278056 1004179099 /nfs/dbraw/zinc/17/90/99/1004179099.db2.gz IPGLINSNMTXEAX-UHFFFAOYSA-N 2 1 423.605 3.741 20 0 HHADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000501077948 1004183194 /nfs/dbraw/zinc/18/31/94/1004183194.db2.gz PVUAEFGMXDDZKV-NRFANRHFSA-N 2 1 416.928 3.828 20 0 HHADMP CCC[N@H+](Cc1cc(F)cc2c1OCOC2)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512283912 1004186290 /nfs/dbraw/zinc/18/62/90/1004186290.db2.gz VSLAXQVCYAPDPF-UHFFFAOYSA-N 2 1 414.525 3.980 20 0 HHADMP CCC[N@@H+](Cc1cc(F)cc2c1OCOC2)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512283912 1004186296 /nfs/dbraw/zinc/18/62/96/1004186296.db2.gz VSLAXQVCYAPDPF-UHFFFAOYSA-N 2 1 414.525 3.980 20 0 HHADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000501153360 1004239302 /nfs/dbraw/zinc/23/93/02/1004239302.db2.gz HOTMLVNNWMISFQ-UHFFFAOYSA-N 2 1 406.368 3.778 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000512393161 1004266751 /nfs/dbraw/zinc/26/67/51/1004266751.db2.gz OKJIYDVGJKREAK-NHTMILBNSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000512406436 1004275465 /nfs/dbraw/zinc/27/54/65/1004275465.db2.gz PXJCESQNHRYIHK-ZJSXRUAMSA-N 2 1 412.622 3.805 20 0 HHADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[C@H]1C[C@@H](C)[NH+](Cc3ccccc3)C1)CC2 ZINC000512429791 1004297095 /nfs/dbraw/zinc/29/70/95/1004297095.db2.gz JOIGMKMJWSZDFT-ONTLXTELSA-N 2 1 412.622 3.944 20 0 HHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc3ccccc3)C1)CC2 ZINC000512429791 1004297106 /nfs/dbraw/zinc/29/71/06/1004297106.db2.gz JOIGMKMJWSZDFT-ONTLXTELSA-N 2 1 412.622 3.944 20 0 HHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)C1)CC2 ZINC000512429791 1004297117 /nfs/dbraw/zinc/29/71/17/1004297117.db2.gz JOIGMKMJWSZDFT-ONTLXTELSA-N 2 1 412.622 3.944 20 0 HHADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000501409420 1004400083 /nfs/dbraw/zinc/40/00/83/1004400083.db2.gz DJXVMSMSMWZWMC-HSZRJFAPSA-N 2 1 415.528 3.629 20 0 HHADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000501409420 1004400086 /nfs/dbraw/zinc/40/00/86/1004400086.db2.gz DJXVMSMSMWZWMC-HSZRJFAPSA-N 2 1 415.528 3.629 20 0 HHADMP CCC[N@H+](CC(=O)NC1CCCCCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510249792 1004425271 /nfs/dbraw/zinc/42/52/71/1004425271.db2.gz RGSISMDLUJQQAU-UHFFFAOYSA-N 2 1 401.599 3.613 20 0 HHADMP CCC[N@@H+](CC(=O)NC1CCCCCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510249792 1004425275 /nfs/dbraw/zinc/42/52/75/1004425275.db2.gz RGSISMDLUJQQAU-UHFFFAOYSA-N 2 1 401.599 3.613 20 0 HHADMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)COc1ccc(F)c(F)c1 ZINC000512618276 1004431450 /nfs/dbraw/zinc/43/14/50/1004431450.db2.gz IACZVNHJWFHTPF-ISQLDUATSA-N 2 1 416.512 3.595 20 0 HHADMP CS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512633944 1004446021 /nfs/dbraw/zinc/44/60/21/1004446021.db2.gz BFWIGWLPMRKTKZ-YFNKSVMNSA-N 2 1 412.599 3.622 20 0 HHADMP CS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512633944 1004446029 /nfs/dbraw/zinc/44/60/29/1004446029.db2.gz BFWIGWLPMRKTKZ-YFNKSVMNSA-N 2 1 412.599 3.622 20 0 HHADMP CN(C)C(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512634555 1004446860 /nfs/dbraw/zinc/44/68/60/1004446860.db2.gz DOCRSMKSXKJTKE-PZUNEJSGSA-N 2 1 421.585 3.544 20 0 HHADMP O=C(NC1CC1)c1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512635488 1004448088 /nfs/dbraw/zinc/44/80/88/1004448088.db2.gz HNGKNKZEDFDBQV-PZUNEJSGSA-N 2 1 403.570 3.969 20 0 HHADMP CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512637342 1004449557 /nfs/dbraw/zinc/44/95/57/1004449557.db2.gz UXDKCNLUORFZAY-DSNGMDLFSA-N 2 1 405.586 3.821 20 0 HHADMP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)N2CCOCC2)o1 ZINC000512652615 1004464661 /nfs/dbraw/zinc/46/46/61/1004464661.db2.gz ATABLSJOIVZPSZ-VPBXCIAMSA-N 2 1 423.601 3.852 20 0 HHADMP C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000512698708 1004503011 /nfs/dbraw/zinc/50/30/11/1004503011.db2.gz KWOSZMDBVRDTNK-GIWBLDEGSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@H](NC(=O)N1CCC[NH+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512698708 1004503014 /nfs/dbraw/zinc/50/30/14/1004503014.db2.gz KWOSZMDBVRDTNK-GIWBLDEGSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@H](NC(=O)N1CCC[NH+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512698708 1004503017 /nfs/dbraw/zinc/50/30/17/1004503017.db2.gz KWOSZMDBVRDTNK-GIWBLDEGSA-N 2 1 412.622 3.945 20 0 HHADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512851987 1004615944 /nfs/dbraw/zinc/61/59/44/1004615944.db2.gz LRYUIVIJSLGCNA-RTBURBONSA-N 2 1 424.511 3.596 20 0 HHADMP O=C(N[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000512851987 1004615951 /nfs/dbraw/zinc/61/59/51/1004615951.db2.gz LRYUIVIJSLGCNA-RTBURBONSA-N 2 1 424.511 3.596 20 0 HHADMP O=C(N[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000512851987 1004615973 /nfs/dbraw/zinc/61/59/73/1004615973.db2.gz LRYUIVIJSLGCNA-RTBURBONSA-N 2 1 424.511 3.596 20 0 HHADMP O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000512853136 1004616645 /nfs/dbraw/zinc/61/66/45/1004616645.db2.gz TZPZBZHQZMKDRX-VQTJNVASSA-N 2 1 424.511 3.550 20 0 HHADMP C[C@H](NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)C1=CC[N@@H+](C)CC1 ZINC000510500333 1004619214 /nfs/dbraw/zinc/61/92/14/1004619214.db2.gz IZTQABXIWTWKRN-IBGZPJMESA-N 2 1 406.574 3.865 20 0 HHADMP C[C@@H](NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)C1=CC[N@@H+](C)CC1 ZINC000510500334 1004619248 /nfs/dbraw/zinc/61/92/48/1004619248.db2.gz IZTQABXIWTWKRN-LJQANCHMSA-N 2 1 406.574 3.865 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000510505361 1004627456 /nfs/dbraw/zinc/62/74/56/1004627456.db2.gz XFBGITCANFEBNH-UNMCSNQZSA-N 2 1 412.622 3.912 20 0 HHADMP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000501768481 1004705672 /nfs/dbraw/zinc/70/56/72/1004705672.db2.gz WATKTMXMERUJLN-LJQANCHMSA-N 2 1 410.400 3.604 20 0 HHADMP C[C@H](NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000501857959 1004780356 /nfs/dbraw/zinc/78/03/56/1004780356.db2.gz MFHVPRGOCPXOIJ-KJOQGJGQSA-N 2 1 424.633 3.947 20 0 HHADMP C[C@H](NC(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501857959 1004780364 /nfs/dbraw/zinc/78/03/64/1004780364.db2.gz MFHVPRGOCPXOIJ-KJOQGJGQSA-N 2 1 424.633 3.947 20 0 HHADMP C[C@H](NC(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000501857959 1004780367 /nfs/dbraw/zinc/78/03/67/1004780367.db2.gz MFHVPRGOCPXOIJ-KJOQGJGQSA-N 2 1 424.633 3.947 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2cc(Br)ccc2Cl)CC1 ZINC000501876141 1004791343 /nfs/dbraw/zinc/79/13/43/1004791343.db2.gz TZNNMQHBNPDZKN-UHFFFAOYSA-N 2 1 402.808 3.950 20 0 HHADMP CC(C)[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000510828461 1004877961 /nfs/dbraw/zinc/87/79/61/1004877961.db2.gz YEQRONJFLYGBHR-LOSJGSFVSA-N 2 1 420.601 3.827 20 0 HHADMP O=C(COc1ccccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)N1CCCC1 ZINC000513430713 1004962693 /nfs/dbraw/zinc/96/26/93/1004962693.db2.gz YZZGIILRCOLLMN-JOCHJYFZSA-N 2 1 413.606 3.776 20 0 HHADMP O=C(COc1ccccc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)N1CCCC1 ZINC000513430713 1004962698 /nfs/dbraw/zinc/96/26/98/1004962698.db2.gz YZZGIILRCOLLMN-JOCHJYFZSA-N 2 1 413.606 3.776 20 0 HHADMP O=C(Nc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000510999729 1004973548 /nfs/dbraw/zinc/97/35/48/1004973548.db2.gz NQGVUDIIEFOPFZ-GNLZIIPMSA-N 2 1 404.558 3.793 20 0 HHADMP C[C@H]([NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000511003780 1004975576 /nfs/dbraw/zinc/97/55/76/1004975576.db2.gz WSZRMZNDKKYQHJ-GVXSCFBNSA-N 2 1 405.586 3.720 20 0 HHADMP C[NH+]1CCC2(CCCN2C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000511015835 1004981269 /nfs/dbraw/zinc/98/12/69/1004981269.db2.gz MUMSFVWKYSOYOJ-LJQANCHMSA-N 2 1 424.511 3.550 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(C(=O)Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000511017787 1004981734 /nfs/dbraw/zinc/98/17/34/1004981734.db2.gz SBAYQUFRSPVJFF-IEZKXTBUSA-N 2 1 405.586 3.863 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(C(=O)Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000511017787 1004981738 /nfs/dbraw/zinc/98/17/38/1004981738.db2.gz SBAYQUFRSPVJFF-IEZKXTBUSA-N 2 1 405.586 3.863 20 0 HHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cn(-c4ccccc4)nc3-c3ccc(C)o3)C2)CC1 ZINC000513485243 1004986263 /nfs/dbraw/zinc/98/62/63/1004986263.db2.gz OWXSDCBDNLIHJW-QHCPKHFHSA-N 2 1 419.573 3.653 20 0 HHADMP Cc1nc(COc2ccc(C[N@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)cc2)cs1 ZINC000513559405 1005022387 /nfs/dbraw/zinc/02/23/87/1005022387.db2.gz WVGLSUIATIJVIX-KRWDZBQOSA-N 2 1 403.592 3.555 20 0 HHADMP Cc1nc(COc2ccc(C[N@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)cc2)cs1 ZINC000513559406 1005022462 /nfs/dbraw/zinc/02/24/62/1005022462.db2.gz WVGLSUIATIJVIX-QGZVFWFLSA-N 2 1 403.592 3.555 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000511120816 1005028780 /nfs/dbraw/zinc/02/87/80/1005028780.db2.gz MXCAOANJIJQEOZ-XMMPIXPASA-N 2 1 409.574 3.549 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1)C1CC1 ZINC000511157099 1005049660 /nfs/dbraw/zinc/04/96/60/1005049660.db2.gz DDZNMYACNGPRLY-UHFFFAOYSA-N 2 1 420.601 3.613 20 0 HHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)[C@H]2CCC[C@@H]21 ZINC000513659783 1005070090 /nfs/dbraw/zinc/07/00/90/1005070090.db2.gz DFIYNZOZFXAOLQ-JHNDHUHGSA-N 2 1 402.892 3.795 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc(OC4CCCC4)c3)CC2)CC1 ZINC000513685235 1005081780 /nfs/dbraw/zinc/08/17/80/1005081780.db2.gz XZQAWZRWQKHQAE-UHFFFAOYSA-N 2 1 413.606 3.774 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(Cl)cc4cccnc43)CC2)CC1 ZINC000513690500 1005083408 /nfs/dbraw/zinc/08/34/08/1005083408.db2.gz JYRYPTIJELQAGU-UHFFFAOYSA-N 2 1 414.981 3.654 20 0 HHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)CC1 ZINC000513697080 1005086103 /nfs/dbraw/zinc/08/61/03/1005086103.db2.gz ISMXVOCEKHLFPB-UHFFFAOYSA-N 2 1 407.558 3.855 20 0 HHADMP COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)c2)cc1 ZINC000513696646 1005086229 /nfs/dbraw/zinc/08/62/29/1005086229.db2.gz BUUYGMRBAALVHG-WXFUMESZSA-N 2 1 423.557 3.789 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc(-c4cccnc4)c3)CC2)CC1 ZINC000513703082 1005088782 /nfs/dbraw/zinc/08/87/82/1005088782.db2.gz QCWUYNDLPKACCE-UHFFFAOYSA-N 2 1 406.574 3.515 20 0 HHADMP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511267520 1005098842 /nfs/dbraw/zinc/09/88/42/1005098842.db2.gz IWNNZVORNUTGHO-ICSRJNTNSA-N 2 1 404.574 3.552 20 0 HHADMP C[C@@H](NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511268193 1005099513 /nfs/dbraw/zinc/09/95/13/1005099513.db2.gz VOWKIQITSHKIMH-TZIWHRDSSA-N 2 1 413.610 3.592 20 0 HHADMP COC(=O)c1sc2cccc(F)c2c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513817767 1005142443 /nfs/dbraw/zinc/14/24/43/1005142443.db2.gz ONXTWOADHKFYEO-UHFFFAOYSA-N 2 1 420.550 3.761 20 0 HHADMP CC1CC[NH+](C2CCC(NC(=O)NCC[N@@H+](C)Cc3ccc(F)cc3)CC2)CC1 ZINC000502785523 1005216674 /nfs/dbraw/zinc/21/66/74/1005216674.db2.gz UDGNFWJGYIUJKJ-UHFFFAOYSA-N 2 1 404.574 3.600 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCCN(Cc3ccc(F)cc3)CC2)C1 ZINC000502847040 1005242373 /nfs/dbraw/zinc/24/23/73/1005242373.db2.gz RAMBKKLYEDIOMD-FQEVSTJZSA-N 2 1 404.574 3.555 20 0 HHADMP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000502847040 1005242375 /nfs/dbraw/zinc/24/23/75/1005242375.db2.gz RAMBKKLYEDIOMD-FQEVSTJZSA-N 2 1 404.574 3.555 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000502847040 1005242379 /nfs/dbraw/zinc/24/23/79/1005242379.db2.gz RAMBKKLYEDIOMD-FQEVSTJZSA-N 2 1 404.574 3.555 20 0 HHADMP C[C@H]1CCC[NH+](CCCCNC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000502847040 1005242382 /nfs/dbraw/zinc/24/23/82/1005242382.db2.gz RAMBKKLYEDIOMD-FQEVSTJZSA-N 2 1 404.574 3.555 20 0 HHADMP C[C@H]1CCC[NH+](CCCCNC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000502847040 1005242385 /nfs/dbraw/zinc/24/23/85/1005242385.db2.gz RAMBKKLYEDIOMD-FQEVSTJZSA-N 2 1 404.574 3.555 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCCC[NH+]1CCC[C@@H](C)C1 ZINC000514094341 1005262615 /nfs/dbraw/zinc/26/26/15/1005262615.db2.gz KNKGOWXYXKPOGN-FYYLOGMGSA-N 2 1 415.626 3.590 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000514094341 1005262618 /nfs/dbraw/zinc/26/26/18/1005262618.db2.gz KNKGOWXYXKPOGN-FYYLOGMGSA-N 2 1 415.626 3.590 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000514094341 1005262621 /nfs/dbraw/zinc/26/26/21/1005262621.db2.gz KNKGOWXYXKPOGN-FYYLOGMGSA-N 2 1 415.626 3.590 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000502896909 1005264629 /nfs/dbraw/zinc/26/46/29/1005264629.db2.gz XCVMKMNACOWYQC-OAQYLSRUSA-N 2 1 400.611 3.984 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000514115260 1005272114 /nfs/dbraw/zinc/27/21/14/1005272114.db2.gz QOAREPWEBQEFPD-QHCPKHFHSA-N 2 1 415.626 3.590 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000503020885 1005317817 /nfs/dbraw/zinc/31/78/17/1005317817.db2.gz URCIXMAUZSMYNY-UHFFFAOYSA-N 2 1 407.514 3.899 20 0 HHADMP CC[NH+](CC)CCCNC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000503043003 1005325455 /nfs/dbraw/zinc/32/54/55/1005325455.db2.gz BCALBCYNBCREST-NRFANRHFSA-N 2 1 414.619 3.879 20 0 HHADMP CC[NH+](CC)CCCNC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000503043003 1005325457 /nfs/dbraw/zinc/32/54/57/1005325457.db2.gz BCALBCYNBCREST-NRFANRHFSA-N 2 1 414.619 3.879 20 0 HHADMP CN(C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000503065683 1005335209 /nfs/dbraw/zinc/33/52/09/1005335209.db2.gz ZZRDIPFJRKTHFA-XMMPIXPASA-N 2 1 420.601 3.957 20 0 HHADMP CC(C)(C)[N@H+]1C[C@@H](C(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)[C@H](C(F)(F)F)C1 ZINC000511803904 1005336502 /nfs/dbraw/zinc/33/65/02/1005336502.db2.gz BAYCYFXOGWTAAF-RCCFBDPRSA-N 2 1 403.533 3.809 20 0 HHADMP CC(C)(C)[NH+]1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@H](C(F)(F)F)C1 ZINC000511803904 1005336505 /nfs/dbraw/zinc/33/65/05/1005336505.db2.gz BAYCYFXOGWTAAF-RCCFBDPRSA-N 2 1 403.533 3.809 20 0 HHADMP CC(C)(C)[NH+]1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)[C@H](C(F)(F)F)C1 ZINC000511803904 1005336508 /nfs/dbraw/zinc/33/65/08/1005336508.db2.gz BAYCYFXOGWTAAF-RCCFBDPRSA-N 2 1 403.533 3.809 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000503212136 1005369601 /nfs/dbraw/zinc/36/96/01/1005369601.db2.gz MSWVMEBWYFXOLH-GZGNHOFSSA-N 2 1 420.601 3.686 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000503212136 1005369605 /nfs/dbraw/zinc/36/96/05/1005369605.db2.gz MSWVMEBWYFXOLH-GZGNHOFSSA-N 2 1 420.601 3.686 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000503212136 1005369608 /nfs/dbraw/zinc/36/96/08/1005369608.db2.gz MSWVMEBWYFXOLH-GZGNHOFSSA-N 2 1 420.601 3.686 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000503333114 1005392191 /nfs/dbraw/zinc/39/21/91/1005392191.db2.gz TVQXDAKUMWSGMV-HSZRJFAPSA-N 2 1 400.611 3.792 20 0 HHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000503356763 1005397182 /nfs/dbraw/zinc/39/71/82/1005397182.db2.gz OHVRRGBQEMWANZ-SSPYTLHUSA-N 2 1 408.590 3.808 20 0 HHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCCC[N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000503446992 1005423007 /nfs/dbraw/zinc/42/30/07/1005423007.db2.gz NQKBTTVULVWQED-QHCPKHFHSA-N 2 1 400.611 3.662 20 0 HHADMP CCCN(C(=O)NCCC1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000503735762 1005487244 /nfs/dbraw/zinc/48/72/44/1005487244.db2.gz AAFLJICUELCBCW-QHCPKHFHSA-N 2 1 400.611 3.805 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)CC1 ZINC000531207598 1006047475 /nfs/dbraw/zinc/04/74/75/1006047475.db2.gz YNDHLURSMDPKLE-UHFFFAOYSA-N 2 1 419.529 3.656 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000534181437 1006169039 /nfs/dbraw/zinc/16/90/39/1006169039.db2.gz FOWCWPQJODMGAN-DQEYMECFSA-N 2 1 423.601 3.531 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000534181437 1006169044 /nfs/dbraw/zinc/16/90/44/1006169044.db2.gz FOWCWPQJODMGAN-DQEYMECFSA-N 2 1 423.601 3.531 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000534181437 1006169052 /nfs/dbraw/zinc/16/90/52/1006169052.db2.gz FOWCWPQJODMGAN-DQEYMECFSA-N 2 1 423.601 3.531 20 0 HHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534249074 1006255871 /nfs/dbraw/zinc/25/58/71/1006255871.db2.gz AKYFSYOBDOIPSI-BBTUJRGHSA-N 2 1 424.992 3.988 20 0 HHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534249074 1006255881 /nfs/dbraw/zinc/25/58/81/1006255881.db2.gz AKYFSYOBDOIPSI-BBTUJRGHSA-N 2 1 424.992 3.988 20 0 HHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534249074 1006255888 /nfs/dbraw/zinc/25/58/88/1006255888.db2.gz AKYFSYOBDOIPSI-BBTUJRGHSA-N 2 1 424.992 3.988 20 0 HHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534252794 1006261830 /nfs/dbraw/zinc/26/18/30/1006261830.db2.gz WXIITULMASAQNE-TWFHAPMSSA-N 2 1 422.976 3.740 20 0 HHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534252794 1006261834 /nfs/dbraw/zinc/26/18/34/1006261834.db2.gz WXIITULMASAQNE-TWFHAPMSSA-N 2 1 422.976 3.740 20 0 HHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534252794 1006261839 /nfs/dbraw/zinc/26/18/39/1006261839.db2.gz WXIITULMASAQNE-TWFHAPMSSA-N 2 1 422.976 3.740 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000531540447 1006264564 /nfs/dbraw/zinc/26/45/64/1006264564.db2.gz OWPINEHBTHELJX-GHTZIAJQSA-N 2 1 407.002 3.754 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]Cc2cc3ccccc3s2)c1 ZINC000531564739 1006275474 /nfs/dbraw/zinc/27/54/74/1006275474.db2.gz XBIPXHXUXSWIFB-UHFFFAOYSA-N 2 1 409.555 3.852 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000531725989 1006381089 /nfs/dbraw/zinc/38/10/89/1006381089.db2.gz WJTWVXPNNLOXAV-XQBPLPMBSA-N 2 1 415.603 3.641 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000531725989 1006381099 /nfs/dbraw/zinc/38/10/99/1006381099.db2.gz WJTWVXPNNLOXAV-XQBPLPMBSA-N 2 1 415.603 3.641 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000531860047 1006480896 /nfs/dbraw/zinc/48/08/96/1006480896.db2.gz JNIDBEMXGJSMIM-ZZYHAFTGSA-N 2 1 420.601 3.879 20 0 HHADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531931946 1006528464 /nfs/dbraw/zinc/52/84/64/1006528464.db2.gz WBKYBMQOMSSGFK-QFBILLFUSA-N 2 1 421.010 3.697 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)cc1 ZINC000531943189 1006535553 /nfs/dbraw/zinc/53/55/53/1006535553.db2.gz XNILQWBGRCHBJI-IBGZPJMESA-N 2 1 417.557 3.934 20 0 HHADMP Clc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(-n2cncn2)c1 ZINC000515559963 1006536288 /nfs/dbraw/zinc/53/62/88/1006536288.db2.gz XHSPDEHVTPCRFO-CTNGQTDRSA-N 2 1 407.949 3.875 20 0 HHADMP Clc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(-n2cncn2)c1 ZINC000515559963 1006536299 /nfs/dbraw/zinc/53/62/99/1006536299.db2.gz XHSPDEHVTPCRFO-CTNGQTDRSA-N 2 1 407.949 3.875 20 0 HHADMP Clc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(-n2cncn2)c1 ZINC000515559963 1006536307 /nfs/dbraw/zinc/53/63/07/1006536307.db2.gz XHSPDEHVTPCRFO-CTNGQTDRSA-N 2 1 407.949 3.875 20 0 HHADMP Clc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(-n2cncn2)c1 ZINC000515559963 1006536313 /nfs/dbraw/zinc/53/63/13/1006536313.db2.gz XHSPDEHVTPCRFO-CTNGQTDRSA-N 2 1 407.949 3.875 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+]C2CCN(c3ccccc3)CC2)c1)C1CCOCC1 ZINC000531958606 1006546475 /nfs/dbraw/zinc/54/64/75/1006546475.db2.gz PMSABMQOEUXCML-UHFFFAOYSA-N 2 1 423.601 3.935 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)NCCc1ccc(F)cc1 ZINC000515756234 1006645303 /nfs/dbraw/zinc/64/53/03/1006645303.db2.gz SGZKBQGKWFQNRF-UXHICEINSA-N 2 1 411.565 3.895 20 0 HHADMP CC[C@@H](CNC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000515790544 1006673220 /nfs/dbraw/zinc/67/32/20/1006673220.db2.gz LNZFKJFHAXBNRS-XZOQPEGZSA-N 2 1 412.553 3.565 20 0 HHADMP CC[C@@H](CNC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000515790540 1006673453 /nfs/dbraw/zinc/67/34/53/1006673453.db2.gz LNZFKJFHAXBNRS-GOTSBHOMSA-N 2 1 412.553 3.565 20 0 HHADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc2c(c1)OCCCO2 ZINC000532188489 1006707560 /nfs/dbraw/zinc/70/75/60/1006707560.db2.gz FJYKOQUNAXLJQT-PKOBYXMFSA-N 2 1 401.576 3.549 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000515838658 1006711309 /nfs/dbraw/zinc/71/13/09/1006711309.db2.gz JFNKITNZSDHHCD-UHFFFAOYSA-N 2 1 400.611 3.936 20 0 HHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000532193459 1006711891 /nfs/dbraw/zinc/71/18/91/1006711891.db2.gz VGNSUIZLHIHADH-XLGIIRLISA-N 3 1 406.618 3.827 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000532201048 1006716900 /nfs/dbraw/zinc/71/69/00/1006716900.db2.gz BCQRBXDVKKJZHE-CEXWTWQISA-N 2 1 416.587 3.550 20 0 HHADMP CC(=O)Nc1ccccc1C[NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000538454614 1006723423 /nfs/dbraw/zinc/72/34/23/1006723423.db2.gz GXOKDOJQKGVBCA-BGYRXZFFSA-N 2 1 409.574 3.944 20 0 HHADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000532231470 1006738140 /nfs/dbraw/zinc/73/81/40/1006738140.db2.gz PZVPMSRHPSVJJS-IBGZPJMESA-N 2 1 401.595 3.979 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)C1CCCCC1 ZINC000515913260 1006758602 /nfs/dbraw/zinc/75/86/02/1006758602.db2.gz WEIRLGMBMKQZKS-QFIPXVFZSA-N 2 1 422.564 3.739 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000534789015 1006789960 /nfs/dbraw/zinc/78/99/60/1006789960.db2.gz FLOJTUMTCZENTL-RTWAWAEBSA-N 2 1 400.954 3.646 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000534789015 1006789968 /nfs/dbraw/zinc/78/99/68/1006789968.db2.gz FLOJTUMTCZENTL-RTWAWAEBSA-N 2 1 400.954 3.646 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)c1cccs1 ZINC000534789543 1006791352 /nfs/dbraw/zinc/79/13/52/1006791352.db2.gz OCRQWPNARMCBHE-YQVWRLOYSA-N 2 1 406.983 3.749 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)c1cccs1 ZINC000534789543 1006791367 /nfs/dbraw/zinc/79/13/67/1006791367.db2.gz OCRQWPNARMCBHE-YQVWRLOYSA-N 2 1 406.983 3.749 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cncc(-c3ccc(Cl)cc3)c2)CC1 ZINC000532319814 1006791824 /nfs/dbraw/zinc/79/18/24/1006791824.db2.gz PSSOLEJHJTWPFO-UHFFFAOYSA-N 2 1 407.905 3.801 20 0 HHADMP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)c2)CC1 ZINC000538546760 1006809799 /nfs/dbraw/zinc/80/97/99/1006809799.db2.gz QGMDJYQVNZDZMB-PXDATVDWSA-N 2 1 407.606 3.935 20 0 HHADMP C[N@@H+]1CC[C@@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000534830962 1006843529 /nfs/dbraw/zinc/84/35/29/1006843529.db2.gz CKJYSHCPTCALKQ-NHCUHLMSSA-N 2 1 404.986 3.745 20 0 HHADMP C[N@H+]1CC[C@@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000534830962 1006843537 /nfs/dbraw/zinc/84/35/37/1006843537.db2.gz CKJYSHCPTCALKQ-NHCUHLMSSA-N 2 1 404.986 3.745 20 0 HHADMP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3CCCC[N@@H+]3Cc3ccccc3)nc2)CC1 ZINC000532424537 1006868430 /nfs/dbraw/zinc/86/84/30/1006868430.db2.gz YXYFGRNMBFNJFR-HSZRJFAPSA-N 2 1 421.589 3.605 20 0 HHADMP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3CCCC[N@H+]3Cc3ccccc3)nc2)CC1 ZINC000532424537 1006868443 /nfs/dbraw/zinc/86/84/43/1006868443.db2.gz YXYFGRNMBFNJFR-HSZRJFAPSA-N 2 1 421.589 3.605 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@H]2CCc3c2cccc3Cl)c1 ZINC000532448506 1006891497 /nfs/dbraw/zinc/89/14/97/1006891497.db2.gz XCUZTVNSBBRHRC-QFIPXVFZSA-N 2 1 413.949 3.778 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534959559 1007005422 /nfs/dbraw/zinc/00/54/22/1007005422.db2.gz BIKPXUWCUILYMZ-HGHGUNKESA-N 2 1 424.992 3.892 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534959559 1007005438 /nfs/dbraw/zinc/00/54/38/1007005438.db2.gz BIKPXUWCUILYMZ-HGHGUNKESA-N 2 1 424.992 3.892 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534959559 1007005450 /nfs/dbraw/zinc/00/54/50/1007005450.db2.gz BIKPXUWCUILYMZ-HGHGUNKESA-N 2 1 424.992 3.892 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534986269 1007044398 /nfs/dbraw/zinc/04/43/98/1007044398.db2.gz GWVDAQOGOBILMK-LQWHRVPQSA-N 2 1 422.976 3.742 20 0 HHADMP CCCCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1OCC ZINC000538764077 1007048169 /nfs/dbraw/zinc/04/81/69/1007048169.db2.gz LEPRANWIQMZQFN-JOCHJYFZSA-N 2 1 403.611 3.865 20 0 HHADMP COc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1OCc1ccccc1 ZINC000538763008 1007048737 /nfs/dbraw/zinc/04/87/37/1007048737.db2.gz XWAQOWVWCURWHL-DEOSSOPVSA-N 2 1 423.601 3.875 20 0 HHADMP CCCCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1OCC ZINC000538764078 1007049035 /nfs/dbraw/zinc/04/90/35/1007049035.db2.gz LEPRANWIQMZQFN-QFIPXVFZSA-N 2 1 403.611 3.865 20 0 HHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000538795943 1007076439 /nfs/dbraw/zinc/07/64/39/1007076439.db2.gz FIRQSERWOHEGDS-ACIOBRDBSA-N 2 1 416.997 3.885 20 0 HHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000538795943 1007076451 /nfs/dbraw/zinc/07/64/51/1007076451.db2.gz FIRQSERWOHEGDS-ACIOBRDBSA-N 2 1 416.997 3.885 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000538798090 1007079266 /nfs/dbraw/zinc/07/92/66/1007079266.db2.gz MWMGOUSAJMWFPY-TZRRMPRUSA-N 2 1 417.557 3.618 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000538798090 1007079285 /nfs/dbraw/zinc/07/92/85/1007079285.db2.gz MWMGOUSAJMWFPY-TZRRMPRUSA-N 2 1 417.557 3.618 20 0 HHADMP C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000516624256 1007200563 /nfs/dbraw/zinc/20/05/63/1007200563.db2.gz RZDMQFFIKDCIOT-IBGZPJMESA-N 2 1 416.525 3.906 20 0 HHADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)N2CCc3sccc3C2)CC1)CC1CC1 ZINC000538949413 1007236962 /nfs/dbraw/zinc/23/69/62/1007236962.db2.gz NRTZKEJCWCAXTD-SFHVURJKSA-N 2 1 403.636 3.855 20 0 HHADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)N2CCc3sccc3C2)CC1)CC1CC1 ZINC000538951378 1007239226 /nfs/dbraw/zinc/23/92/26/1007239226.db2.gz RJLDQPBWRVRHOK-UHFFFAOYSA-N 2 1 403.636 3.857 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)NCc2ccccc2COc2ccccc2)CC1 ZINC000532949596 1007319952 /nfs/dbraw/zinc/31/99/52/1007319952.db2.gz INZJDRGSKOVSJM-UHFFFAOYSA-N 2 1 423.601 3.934 20 0 HHADMP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000539036111 1007333782 /nfs/dbraw/zinc/33/37/82/1007333782.db2.gz WBTQRBPFYDICPG-HSZRJFAPSA-N 2 1 410.537 3.608 20 0 HHADMP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000539036111 1007333797 /nfs/dbraw/zinc/33/37/97/1007333797.db2.gz WBTQRBPFYDICPG-HSZRJFAPSA-N 2 1 410.537 3.608 20 0 HHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c3cccc4ccccc43)C2)CC1 ZINC000532986594 1007357073 /nfs/dbraw/zinc/35/70/73/1007357073.db2.gz FYULQXUKZDEANX-QNWVGRARSA-N 2 1 422.617 3.506 20 0 HHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C2)CC1 ZINC000532986616 1007357834 /nfs/dbraw/zinc/35/78/34/1007357834.db2.gz KLRKRONVWXDQPW-DEOSSOPVSA-N 2 1 406.574 3.539 20 0 HHADMP CC[NH+](CC)CCOc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1 ZINC000535341898 1007395728 /nfs/dbraw/zinc/39/57/28/1007395728.db2.gz XMJFVLMSQSXGQZ-ZEQRLZLVSA-N 2 1 424.589 3.652 20 0 HHADMP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000517144813 1007459012 /nfs/dbraw/zinc/45/90/12/1007459012.db2.gz PPUQHBXFZAORMX-UHFFFAOYSA-N 2 1 414.516 3.653 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccsc1 ZINC000517149390 1007462520 /nfs/dbraw/zinc/46/25/20/1007462520.db2.gz RTPVCVAFJIAXOE-HXUWFJFHSA-N 2 1 400.592 3.657 20 0 HHADMP CCC1(CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000533153965 1007492847 /nfs/dbraw/zinc/49/28/47/1007492847.db2.gz QMDRRGRFVIRUPN-UNMCSNQZSA-N 2 1 400.611 3.803 20 0 HHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl ZINC000535508659 1007564069 /nfs/dbraw/zinc/56/40/69/1007564069.db2.gz RRBKQBQDPXOMSR-RDTXWAMCSA-N 2 1 401.776 3.916 20 0 HHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCC(=O)Nc3ccccc3Oc3ccccc3)C2)CC1 ZINC000533282350 1007595766 /nfs/dbraw/zinc/59/57/66/1007595766.db2.gz MRLFHVVBEYGLFV-NRFANRHFSA-N 2 1 422.573 3.519 20 0 HHADMP COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000533292361 1007606702 /nfs/dbraw/zinc/60/67/02/1007606702.db2.gz HGZJXEJTAIOOHD-SFHVURJKSA-N 2 1 422.013 3.592 20 0 HHADMP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000539363402 1007665799 /nfs/dbraw/zinc/66/57/99/1007665799.db2.gz VSMLVCFWJMMVCP-WOJBJXKFSA-N 2 1 400.588 3.871 20 0 HHADMP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000539363402 1007665804 /nfs/dbraw/zinc/66/58/04/1007665804.db2.gz VSMLVCFWJMMVCP-WOJBJXKFSA-N 2 1 400.588 3.871 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000517462796 1007687086 /nfs/dbraw/zinc/68/70/86/1007687086.db2.gz RGWYIFWCOJKEGX-QFBILLFUSA-N 2 1 414.516 3.729 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535681872 1007711440 /nfs/dbraw/zinc/71/14/40/1007711440.db2.gz QQXHCOWQQBSWDV-UTKZUKDTSA-N 2 1 424.992 3.892 20 0 HHADMP CC1CC[NH+](CCNC(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535683956 1007714615 /nfs/dbraw/zinc/71/46/15/1007714615.db2.gz OCGVLQRKQUUVMU-FXAWDEMLSA-N 2 1 410.965 3.503 20 0 HHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000517490490 1007714975 /nfs/dbraw/zinc/71/49/75/1007714975.db2.gz INKYDFJPDJPJEY-QFIPXVFZSA-N 2 1 404.574 3.744 20 0 HHADMP Cc1nc(NC(=O)[C@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)sc1C ZINC000533413400 1007719904 /nfs/dbraw/zinc/71/99/04/1007719904.db2.gz YADBOPDFIJIREO-KRWDZBQOSA-N 2 1 400.592 3.931 20 0 HHADMP Cc1nc(NC(=O)[C@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)sc1C ZINC000533413400 1007719917 /nfs/dbraw/zinc/71/99/17/1007719917.db2.gz YADBOPDFIJIREO-KRWDZBQOSA-N 2 1 400.592 3.931 20 0 HHADMP C[N@@H+](CCNC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1)Cc1ccccc1 ZINC000535706015 1007744280 /nfs/dbraw/zinc/74/42/80/1007744280.db2.gz YOEVOOJNRMLGGW-UHFFFAOYSA-N 2 1 420.601 3.816 20 0 HHADMP C[NH+](CCNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)Cc1ccccc1 ZINC000535706015 1007744290 /nfs/dbraw/zinc/74/42/90/1007744290.db2.gz YOEVOOJNRMLGGW-UHFFFAOYSA-N 2 1 420.601 3.816 20 0 HHADMP C[NH+](CCNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)Cc1ccccc1 ZINC000535706015 1007744303 /nfs/dbraw/zinc/74/43/03/1007744303.db2.gz YOEVOOJNRMLGGW-UHFFFAOYSA-N 2 1 420.601 3.816 20 0 HHADMP Cn1ccnc1COc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000533448351 1007764922 /nfs/dbraw/zinc/76/49/22/1007764922.db2.gz HDDBKVMWMHUMTO-QHCPKHFHSA-N 2 1 404.558 3.953 20 0 HHADMP Cn1ccnc1COc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000533448351 1007764928 /nfs/dbraw/zinc/76/49/28/1007764928.db2.gz HDDBKVMWMHUMTO-QHCPKHFHSA-N 2 1 404.558 3.953 20 0 HHADMP Cn1ccnc1COc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000533448351 1007764936 /nfs/dbraw/zinc/76/49/36/1007764936.db2.gz HDDBKVMWMHUMTO-QHCPKHFHSA-N 2 1 404.558 3.953 20 0 HHADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000517643985 1007855559 /nfs/dbraw/zinc/85/55/59/1007855559.db2.gz AZRRVBFMNQOOTG-LJQANCHMSA-N 2 1 409.599 3.929 20 0 HHADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000517643985 1007855573 /nfs/dbraw/zinc/85/55/73/1007855573.db2.gz AZRRVBFMNQOOTG-LJQANCHMSA-N 2 1 409.599 3.929 20 0 HHADMP CCC1(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000533593037 1007891002 /nfs/dbraw/zinc/89/10/02/1007891002.db2.gz RRLFXDMSBFLVMJ-DHIUTWEWSA-N 2 1 412.622 3.805 20 0 HHADMP CCC1(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000533593038 1007891554 /nfs/dbraw/zinc/89/15/54/1007891554.db2.gz RRLFXDMSBFLVMJ-GOTSBHOMSA-N 2 1 412.622 3.805 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539615476 1007930737 /nfs/dbraw/zinc/93/07/37/1007930737.db2.gz FUNGEHBLXXUMOQ-RTWAWAEBSA-N 2 1 422.976 3.929 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539615476 1007930741 /nfs/dbraw/zinc/93/07/41/1007930741.db2.gz FUNGEHBLXXUMOQ-RTWAWAEBSA-N 2 1 422.976 3.929 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000517731803 1007937286 /nfs/dbraw/zinc/93/72/86/1007937286.db2.gz VQDAWEYIWAWVJH-TZIWHRDSSA-N 2 1 410.562 3.721 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000539628814 1007945894 /nfs/dbraw/zinc/94/58/94/1007945894.db2.gz VSSQWIGXXVRTOT-RLWLMLJZSA-N 2 1 419.617 3.936 20 0 HHADMP C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@@H]3CCC[N@@H+](C)[C@H]3c3cccs3)C2)CC1 ZINC000535935016 1007963615 /nfs/dbraw/zinc/96/36/15/1007963615.db2.gz GPPXWEFGOPPFLW-QKNQBKEWSA-N 2 1 404.624 3.504 20 0 HHADMP COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1OCCC(C)C ZINC000539823186 1008117107 /nfs/dbraw/zinc/11/71/07/1008117107.db2.gz UCSDVHLHPLMUBZ-RBBKRZOGSA-N 2 1 403.611 3.578 20 0 HHADMP COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1OCCC(C)C ZINC000539823186 1008117110 /nfs/dbraw/zinc/11/71/10/1008117110.db2.gz UCSDVHLHPLMUBZ-RBBKRZOGSA-N 2 1 403.611 3.578 20 0 HHADMP CCOc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1OCC(C)C ZINC000539825198 1008120001 /nfs/dbraw/zinc/12/00/01/1008120001.db2.gz NTAVMYWKJWRSPA-UNMCSNQZSA-N 2 1 403.611 3.578 20 0 HHADMP CCOc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1OCC(C)C ZINC000539825198 1008120006 /nfs/dbraw/zinc/12/00/06/1008120006.db2.gz NTAVMYWKJWRSPA-UNMCSNQZSA-N 2 1 403.611 3.578 20 0 HHADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000539860610 1008145876 /nfs/dbraw/zinc/14/58/76/1008145876.db2.gz VMSKTNAXCBPOSP-UHFFFAOYSA-N 2 1 409.622 3.539 20 0 HHADMP CC[C@@H](NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1c(C)noc1C ZINC000533848970 1008155277 /nfs/dbraw/zinc/15/52/77/1008155277.db2.gz VTZITUCOLMYNRB-OAQYLSRUSA-N 2 1 419.614 3.580 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000533850672 1008156352 /nfs/dbraw/zinc/15/63/52/1008156352.db2.gz SXHZDDNMKHYELS-PWHSHALESA-N 2 1 406.574 3.629 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000533850672 1008156357 /nfs/dbraw/zinc/15/63/57/1008156357.db2.gz SXHZDDNMKHYELS-PWHSHALESA-N 2 1 406.574 3.629 20 0 HHADMP CC1CC[NH+](CCc2cccc(NC(=O)[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)c2)CC1 ZINC000539906075 1008176732 /nfs/dbraw/zinc/17/67/32/1008176732.db2.gz ATFRZQGDROHVNZ-AREMUKBSSA-N 2 1 421.585 3.537 20 0 HHADMP CCc1nc2sccc2c(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000533885190 1008179695 /nfs/dbraw/zinc/17/96/95/1008179695.db2.gz ZABRDWWVWPLQSO-UHFFFAOYSA-N 2 1 401.624 3.886 20 0 HHADMP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000539928464 1008189430 /nfs/dbraw/zinc/18/94/30/1008189430.db2.gz HHLKCAJCNIMWSX-XMMPIXPASA-N 2 1 407.558 3.809 20 0 HHADMP C[C@H](CNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000540017381 1008239827 /nfs/dbraw/zinc/23/98/27/1008239827.db2.gz YSLJYQXBZBQXSK-WOJBJXKFSA-N 2 1 401.599 3.592 20 0 HHADMP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045477 1008254537 /nfs/dbraw/zinc/25/45/37/1008254537.db2.gz PAOPDFVUXPZNSB-WOJBJXKFSA-N 2 1 406.574 3.986 20 0 HHADMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000518573421 1008351308 /nfs/dbraw/zinc/35/13/08/1008351308.db2.gz POLVOUQPXFGGGG-GMAHTHKFSA-N 2 1 421.585 3.922 20 0 HHADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000518573419 1008351328 /nfs/dbraw/zinc/35/13/28/1008351328.db2.gz POLVOUQPXFGGGG-FYYLOGMGSA-N 2 1 421.585 3.922 20 0 HHADMP O[C@@]1(C[NH2+][C@@H]2CCc3c2cccc3Br)CC[N@H+](Cc2ccccc2)C1 ZINC000540316777 1008377273 /nfs/dbraw/zinc/37/72/73/1008377273.db2.gz RCPPEHIDTVMZIY-NHCUHLMSSA-N 2 1 401.348 3.663 20 0 HHADMP O[C@@]1(C[NH2+][C@@H]2CCc3c2cccc3Br)CC[N@@H+](Cc2ccccc2)C1 ZINC000540316777 1008377277 /nfs/dbraw/zinc/37/72/77/1008377277.db2.gz RCPPEHIDTVMZIY-NHCUHLMSSA-N 2 1 401.348 3.663 20 0 HHADMP C[NH+]1CCC2(CC1)C[C@H]([NH2+]Cc1cccnc1OCC(F)F)c1ccccc1O2 ZINC000540507261 1008460025 /nfs/dbraw/zinc/46/00/25/1008460025.db2.gz HCRFMSZDOOBIPI-SFHVURJKSA-N 2 1 403.473 3.803 20 0 HHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C(=O)N3CCCCC3)c3ccccc3)CC2)oc1C ZINC000518979057 1008493616 /nfs/dbraw/zinc/49/36/16/1008493616.db2.gz SHTMOYYFNWARNX-XMMPIXPASA-N 2 1 424.589 3.847 20 0 HHADMP C[N@@H+](CC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@H]1CCSC1 ZINC000549028379 1008597521 /nfs/dbraw/zinc/59/75/21/1008597521.db2.gz FJEXCQLDTRHHMY-BVJITPLVSA-N 2 1 422.038 3.807 20 0 HHADMP C[NH+](CC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCSC1 ZINC000549028379 1008597533 /nfs/dbraw/zinc/59/75/33/1008597533.db2.gz FJEXCQLDTRHHMY-BVJITPLVSA-N 2 1 422.038 3.807 20 0 HHADMP C[NH+](CC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCSC1 ZINC000549028379 1008597543 /nfs/dbraw/zinc/59/75/43/1008597543.db2.gz FJEXCQLDTRHHMY-BVJITPLVSA-N 2 1 422.038 3.807 20 0 HHADMP C[C@@H](CNC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1)[N@@H+](C)C1CC1 ZINC000519205179 1008610294 /nfs/dbraw/zinc/61/02/94/1008610294.db2.gz SLVCLFGJRUYXBZ-HNNXBMFYSA-N 2 1 415.409 3.939 20 0 HHADMP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000543069142 1008646514 /nfs/dbraw/zinc/64/65/14/1008646514.db2.gz IUHVKSMPWXFBGB-CEXWTWQISA-N 2 1 414.594 3.710 20 0 HHADMP COc1ccc(C[C@@H](C)C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1F ZINC000545593075 1008692705 /nfs/dbraw/zinc/69/27/05/1008692705.db2.gz GYINRRGNTSAKEX-XMSQKQJNSA-N 2 1 400.538 3.759 20 0 HHADMP COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)c1 ZINC000549167716 1008740384 /nfs/dbraw/zinc/74/03/84/1008740384.db2.gz CRMSFWOZXKKNAV-VWLOTQADSA-N 2 1 421.585 3.875 20 0 HHADMP COc1cccc([C@@H]2CCC[N@H+]2CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)c1 ZINC000549167716 1008740397 /nfs/dbraw/zinc/74/03/97/1008740397.db2.gz CRMSFWOZXKKNAV-VWLOTQADSA-N 2 1 421.585 3.875 20 0 HHADMP COc1cccc([C@@H]2CCC[NH+]2CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)c1 ZINC000549167716 1008740405 /nfs/dbraw/zinc/74/04/05/1008740405.db2.gz CRMSFWOZXKKNAV-VWLOTQADSA-N 2 1 421.585 3.875 20 0 HHADMP COc1cccc([C@@H]2CCC[NH+]2CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)c1 ZINC000549167716 1008740418 /nfs/dbraw/zinc/74/04/18/1008740418.db2.gz CRMSFWOZXKKNAV-VWLOTQADSA-N 2 1 421.585 3.875 20 0 HHADMP C[NH+](C)CC1CCN(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000549205215 1008776919 /nfs/dbraw/zinc/77/69/19/1008776919.db2.gz UKPLJRHILVMPRT-LOSJGSFVSA-N 2 1 420.601 3.638 20 0 HHADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)[NH+]1CCc2sccc2C1 ZINC000519420137 1008800835 /nfs/dbraw/zinc/80/08/35/1008800835.db2.gz OJEWEZWNQZPTMR-FXAWDEMLSA-N 2 1 415.578 3.662 20 0 HHADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[NH+]1CCc2sccc2C1 ZINC000519420137 1008800851 /nfs/dbraw/zinc/80/08/51/1008800851.db2.gz OJEWEZWNQZPTMR-FXAWDEMLSA-N 2 1 415.578 3.662 20 0 HHADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)[N@@H+]1CCc2sccc2C1 ZINC000519420137 1008800868 /nfs/dbraw/zinc/80/08/68/1008800868.db2.gz OJEWEZWNQZPTMR-FXAWDEMLSA-N 2 1 415.578 3.662 20 0 HHADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)[N@H+]1CCc2sccc2C1 ZINC000519420137 1008800889 /nfs/dbraw/zinc/80/08/89/1008800889.db2.gz OJEWEZWNQZPTMR-FXAWDEMLSA-N 2 1 415.578 3.662 20 0 HHADMP CC1=CC[N@H+](CCNC(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000545859252 1008946564 /nfs/dbraw/zinc/94/65/64/1008946564.db2.gz POSLAYHKVBACSI-UHFFFAOYSA-N 2 1 424.511 3.621 20 0 HHADMP CC1=CC[N@@H+](CCNC(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000545859252 1008946580 /nfs/dbraw/zinc/94/65/80/1008946580.db2.gz POSLAYHKVBACSI-UHFFFAOYSA-N 2 1 424.511 3.621 20 0 HHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000546009761 1009045814 /nfs/dbraw/zinc/04/58/14/1009045814.db2.gz SKWGTEZFYNXFHG-VXKWHMMOSA-N 2 1 411.594 3.776 20 0 HHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000546009761 1009045828 /nfs/dbraw/zinc/04/58/28/1009045828.db2.gz SKWGTEZFYNXFHG-VXKWHMMOSA-N 2 1 411.594 3.776 20 0 HHADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000549688754 1009318287 /nfs/dbraw/zinc/31/82/87/1009318287.db2.gz UBFSFUGLDZDRSF-ZCNNSNEGSA-N 2 1 407.624 3.528 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccccc1OCC(=O)N1CCCC1 ZINC000520203069 1009339254 /nfs/dbraw/zinc/33/92/54/1009339254.db2.gz FDHBULQSNGJMTQ-UHFFFAOYSA-N 2 1 409.574 3.818 20 0 HHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 ZINC000520227816 1009352729 /nfs/dbraw/zinc/35/27/29/1009352729.db2.gz AKNQMFLBBBOQED-UHFFFAOYSA-N 2 1 417.500 3.789 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000543812831 1009374907 /nfs/dbraw/zinc/37/49/07/1009374907.db2.gz DELMSKZIMVDTEX-UZUQRXQVSA-N 2 1 422.504 3.571 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccnn2Cc2cccs2)cc1 ZINC000543813378 1009376551 /nfs/dbraw/zinc/37/65/51/1009376551.db2.gz CFXZYNXWFSDUMG-INIZCTEOSA-N 2 1 420.542 3.776 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)Cn2cnc3cc(C)c(C)cc32)cc1 ZINC000543814693 1009377061 /nfs/dbraw/zinc/37/70/61/1009377061.db2.gz NNLPVMUWNCADHL-AVRDEDQJSA-N 2 1 403.530 3.859 20 0 HHADMP CCCOc1cccc(CNC(=O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000543813900 1009377534 /nfs/dbraw/zinc/37/75/34/1009377534.db2.gz MWAYDBPYOIEPHW-GOSISDBHSA-N 2 1 406.530 3.937 20 0 HHADMP C[N@@H+]1CC[C@H](c2nc(-c3ccccc3-c3ccc(C[NH+]4CCOCC4)cc3)no2)C1 ZINC000546376296 1009384273 /nfs/dbraw/zinc/38/42/73/1009384273.db2.gz JLQDXZBTMJFAPQ-FQEVSTJZSA-N 2 1 404.514 3.655 20 0 HHADMP C[N@H+]1CC[C@H](c2nc(-c3ccccc3-c3ccc(C[NH+]4CCOCC4)cc3)no2)C1 ZINC000546376296 1009384290 /nfs/dbraw/zinc/38/42/90/1009384290.db2.gz JLQDXZBTMJFAPQ-FQEVSTJZSA-N 2 1 404.514 3.655 20 0 HHADMP C([NH+]1CCC(OC2CCCC2)CC1)C1(C[NH+]2CCC(OC3CCCC3)CC2)COC1 ZINC000543856361 1009422825 /nfs/dbraw/zinc/42/28/25/1009422825.db2.gz LYQXJPARMPJQBI-UHFFFAOYSA-N 2 1 420.638 3.850 20 0 HHADMP Cc1ccc([C@H](OC[C@H](O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c2ccccc2)cc1 ZINC000549839854 1009453207 /nfs/dbraw/zinc/45/32/07/1009453207.db2.gz ALWSAEWCOVFYQA-CYXNTTPDSA-N 2 1 408.586 3.880 20 0 HHADMP Cc1ccc([C@H](OC[C@H](O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c2ccccc2)cc1 ZINC000549839854 1009453216 /nfs/dbraw/zinc/45/32/16/1009453216.db2.gz ALWSAEWCOVFYQA-CYXNTTPDSA-N 2 1 408.586 3.880 20 0 HHADMP Cc1ccc([C@H](OC[C@H](O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c2ccccc2)cc1 ZINC000549839854 1009453225 /nfs/dbraw/zinc/45/32/25/1009453225.db2.gz ALWSAEWCOVFYQA-CYXNTTPDSA-N 2 1 408.586 3.880 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000520326459 1009458343 /nfs/dbraw/zinc/45/83/43/1009458343.db2.gz AWUYIVCTFGSTJU-HXUWFJFHSA-N 2 1 400.592 3.521 20 0 HHADMP C[C@H](c1ccc(NC(=O)NCCC[N@H+](C)Cc2ccccc2)cc1)[NH+]1CCOCC1 ZINC000520330887 1009464003 /nfs/dbraw/zinc/46/40/03/1009464003.db2.gz BFMFUIGGTVVKCL-HXUWFJFHSA-N 2 1 410.562 3.723 20 0 HHADMP C[C@H](c1ccc(NC(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1)[NH+]1CCOCC1 ZINC000520330887 1009464014 /nfs/dbraw/zinc/46/40/14/1009464014.db2.gz BFMFUIGGTVVKCL-HXUWFJFHSA-N 2 1 410.562 3.723 20 0 HHADMP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CCO1 ZINC000549867945 1009488292 /nfs/dbraw/zinc/48/82/92/1009488292.db2.gz JFBPICAYHPPYCC-ZCNNSNEGSA-N 2 1 412.496 3.615 20 0 HHADMP CC[NH+](CC)CCCC1CCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000543946486 1009540899 /nfs/dbraw/zinc/54/08/99/1009540899.db2.gz GCXGGNZZAJRBFL-UHFFFAOYSA-N 2 1 406.640 3.650 20 0 HHADMP CC[NH+](CC)CCCC1CCN(C(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000543946486 1009540910 /nfs/dbraw/zinc/54/09/10/1009540910.db2.gz GCXGGNZZAJRBFL-UHFFFAOYSA-N 2 1 406.640 3.650 20 0 HHADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCc3nc(-c4ccc(Br)cc4)sc32)C1 ZINC000546574119 1009596706 /nfs/dbraw/zinc/59/67/06/1009596706.db2.gz YRCVWCCRVZTMFC-HNAYVOBHSA-N 2 1 422.392 3.606 20 0 HHADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCc3nc(-c4ccc(Br)cc4)sc32)C1 ZINC000546574119 1009596718 /nfs/dbraw/zinc/59/67/18/1009596718.db2.gz YRCVWCCRVZTMFC-HNAYVOBHSA-N 2 1 422.392 3.606 20 0 HHADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)CC3 ZINC000546606387 1009626352 /nfs/dbraw/zinc/62/63/52/1009626352.db2.gz ZBXSGUMAQPDAMH-GOSISDBHSA-N 2 1 405.546 3.699 20 0 HHADMP COC(=O)CCCN1CCC([NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000546619132 1009632180 /nfs/dbraw/zinc/63/21/80/1009632180.db2.gz IJLMDCGNTIESMK-OYRHEFFESA-N 2 1 415.622 3.672 20 0 HHADMP CCC[NH+]1CCC[C@@H]1C(=O)Nc1ccccc1[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000544041174 1009643804 /nfs/dbraw/zinc/64/38/04/1009643804.db2.gz ABTQMTCBPTUKFF-YUXAGFNASA-N 2 1 414.594 3.551 20 0 HHADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)c1ccccc1NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000544041174 1009643809 /nfs/dbraw/zinc/64/38/09/1009643809.db2.gz ABTQMTCBPTUKFF-YUXAGFNASA-N 2 1 414.594 3.551 20 0 HHADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)c1ccccc1NC(=O)[C@H]1CCC[N@H+]1CCC ZINC000544041174 1009643817 /nfs/dbraw/zinc/64/38/17/1009643817.db2.gz ABTQMTCBPTUKFF-YUXAGFNASA-N 2 1 414.594 3.551 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000520578645 1009658861 /nfs/dbraw/zinc/65/88/61/1009658861.db2.gz VUOCDASTXJTOET-JTHBVZDNSA-N 2 1 400.611 3.879 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000546660814 1009660424 /nfs/dbraw/zinc/66/04/24/1009660424.db2.gz OWPHEPNGFFKARH-DYXWJJEUSA-N 2 1 405.542 3.704 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000546660814 1009660431 /nfs/dbraw/zinc/66/04/31/1009660431.db2.gz OWPHEPNGFFKARH-DYXWJJEUSA-N 2 1 405.542 3.704 20 0 HHADMP COc1cc(Br)ccc1CCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000544072043 1009676348 /nfs/dbraw/zinc/67/63/48/1009676348.db2.gz PSBDUGNPZZDJKW-WSTZPKSXSA-N 2 1 411.384 3.574 20 0 HHADMP CCCCOc1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(Cl)c1 ZINC000546724757 1009701765 /nfs/dbraw/zinc/70/17/65/1009701765.db2.gz IWZCZXACJKQIGJ-UHFFFAOYSA-N 2 1 402.926 3.918 20 0 HHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000546873445 1009835121 /nfs/dbraw/zinc/83/51/21/1009835121.db2.gz XGQFJWYAYVOGAD-JOCHJYFZSA-N 2 1 414.981 3.551 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000544332652 1009956097 /nfs/dbraw/zinc/95/60/97/1009956097.db2.gz UUWNGOANWNGUPG-GMAHTHKFSA-N 2 1 400.611 3.805 20 0 HHADMP COc1ccc(Oc2ccc(C[N@@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@@H](C)C3)cc2)cc1 ZINC000544351041 1009976921 /nfs/dbraw/zinc/97/69/21/1009976921.db2.gz NIINLZMQEFOKCM-CPJSRVTESA-N 2 1 409.574 3.945 20 0 HHADMP COc1ccc(Oc2ccc(C[N@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@@H](C)C3)cc2)cc1 ZINC000544351041 1009976930 /nfs/dbraw/zinc/97/69/30/1009976930.db2.gz NIINLZMQEFOKCM-CPJSRVTESA-N 2 1 409.574 3.945 20 0 HHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CC3CCC(C(F)(F)F)CC3)CC2)C[C@H](C)O1 ZINC000547441745 1010306643 /nfs/dbraw/zinc/30/66/43/1010306643.db2.gz KVOAXANMJVXUPK-LPOKXYRGSA-N 2 1 406.533 3.945 20 0 HHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CC3CCC(C(F)(F)F)CC3)CC2)C[C@H](C)O1 ZINC000547441745 1010306649 /nfs/dbraw/zinc/30/66/49/1010306649.db2.gz KVOAXANMJVXUPK-LPOKXYRGSA-N 2 1 406.533 3.945 20 0 HHADMP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)C[C@H]1c1ccccc1 ZINC000551005089 1010311337 /nfs/dbraw/zinc/31/13/37/1010311337.db2.gz ISLYLERGPKRNIN-VXKWHMMOSA-N 2 1 408.542 3.889 20 0 HHADMP C[N@H+]1CC[C@H]([NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)C[C@H]1c1ccccc1 ZINC000551005089 1010311351 /nfs/dbraw/zinc/31/13/51/1010311351.db2.gz ISLYLERGPKRNIN-VXKWHMMOSA-N 2 1 408.542 3.889 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C3CCC(CS(C)(=O)=O)CC3)cc2)C1 ZINC000551008409 1010313574 /nfs/dbraw/zinc/31/35/74/1010313574.db2.gz LFIZHEIOJNDVAC-MGAZVUHYSA-N 2 1 406.636 3.858 20 0 HHADMP C[C@@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547827901 1010441387 /nfs/dbraw/zinc/44/13/87/1010441387.db2.gz YQXUEGXPHCBEMB-GGAORHGYSA-N 2 1 420.601 3.590 20 0 HHADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CCN(C(=O)c3ccc(Br)cc3C)CC2)C1 ZINC000544865984 1010447617 /nfs/dbraw/zinc/44/76/17/1010447617.db2.gz VZUDOZWXJSIKSX-KRWDZBQOSA-N 2 1 422.411 3.684 20 0 HHADMP C[C@H](NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(OCC(F)(F)F)cc1 ZINC000551275072 1010488998 /nfs/dbraw/zinc/48/89/98/1010488998.db2.gz OSIPLWFWAXHTMW-OXJNMPFZSA-N 2 1 408.464 3.698 20 0 HHADMP C[C@H](NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(OCC(F)(F)F)cc1 ZINC000551275072 1010489002 /nfs/dbraw/zinc/48/90/02/1010489002.db2.gz OSIPLWFWAXHTMW-OXJNMPFZSA-N 2 1 408.464 3.698 20 0 HHADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000544942714 1010507522 /nfs/dbraw/zinc/50/75/22/1010507522.db2.gz GLPPVGXMHNTCMN-UXHICEINSA-N 2 1 420.395 3.579 20 0 HHADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000544942714 1010507531 /nfs/dbraw/zinc/50/75/31/1010507531.db2.gz GLPPVGXMHNTCMN-UXHICEINSA-N 2 1 420.395 3.579 20 0 HHADMP COc1ccc(C[C@@H](C)C[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)cc1F ZINC000545011152 1010554799 /nfs/dbraw/zinc/55/47/99/1010554799.db2.gz PGPLMGGNOTVWKV-OAQYLSRUSA-N 2 1 413.581 3.763 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000521819295 1010639890 /nfs/dbraw/zinc/63/98/90/1010639890.db2.gz YSIZYACUKSKTNJ-AREMUKBSSA-N 2 1 417.601 3.958 20 0 HHADMP CN1CC[NH+](Cc2ccc(NC(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000548505401 1010648880 /nfs/dbraw/zinc/64/88/80/1010648880.db2.gz QRTCBLXRGOBOTR-UHFFFAOYSA-N 2 1 420.601 3.675 20 0 HHADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)CC3 ZINC000545192020 1010679029 /nfs/dbraw/zinc/67/90/29/1010679029.db2.gz VAXFUJWEOSISOW-RTWAWAEBSA-N 2 1 419.569 3.780 20 0 HHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000521959589 1010737791 /nfs/dbraw/zinc/73/77/91/1010737791.db2.gz JPCAAXBMRYIMCG-FQEVSTJZSA-N 2 1 401.599 3.605 20 0 HHADMP CC[C@@H]1CN(C(=O)C2CCN(c3cc[nH+]cc3C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000545402458 1010774795 /nfs/dbraw/zinc/77/47/95/1010774795.db2.gz FHUYOVWYPKUGBG-HSZRJFAPSA-N 2 1 406.574 3.729 20 0 HHADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)oc1C ZINC000522044387 1010774813 /nfs/dbraw/zinc/77/48/13/1010774813.db2.gz QBUDRMMQKPKNFP-HSZRJFAPSA-N 2 1 424.589 3.532 20 0 HHADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)oc1C ZINC000522044387 1010774817 /nfs/dbraw/zinc/77/48/17/1010774817.db2.gz QBUDRMMQKPKNFP-HSZRJFAPSA-N 2 1 424.589 3.532 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000522088613 1010802137 /nfs/dbraw/zinc/80/21/37/1010802137.db2.gz RQAKVUOBNUXRDY-NQIIRXRSSA-N 2 1 400.592 3.562 20 0 HHADMP CCN(C(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000522176732 1010848636 /nfs/dbraw/zinc/84/86/36/1010848636.db2.gz KPYFFFIMNDRRFW-NQHRYMMQSA-N 2 1 420.601 3.978 20 0 HHADMP CCN(C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000522176732 1010848640 /nfs/dbraw/zinc/84/86/40/1010848640.db2.gz KPYFFFIMNDRRFW-NQHRYMMQSA-N 2 1 420.601 3.978 20 0 HHADMP CCN(C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000522176732 1010848645 /nfs/dbraw/zinc/84/86/45/1010848645.db2.gz KPYFFFIMNDRRFW-NQHRYMMQSA-N 2 1 420.601 3.978 20 0 HHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](c3ccccc3C)C3CC3)CC2)cc1 ZINC000540591378 1011247879 /nfs/dbraw/zinc/24/78/79/1011247879.db2.gz BIOVWTOGEPUFHK-SANMLTNESA-N 2 1 421.585 3.779 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](c3ccccc3C)C3CC3)CC2)cc1 ZINC000540591378 1011247888 /nfs/dbraw/zinc/24/78/88/1011247888.db2.gz BIOVWTOGEPUFHK-SANMLTNESA-N 2 1 421.585 3.779 20 0 HHADMP COCCc1nc(C)c([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)s1 ZINC000536157330 1011282131 /nfs/dbraw/zinc/28/21/31/1011282131.db2.gz GPBOUYSGNBCKSC-GHTZIAJQSA-N 2 1 416.635 3.670 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000536159043 1011286055 /nfs/dbraw/zinc/28/60/55/1011286055.db2.gz YJYYJHZDWFXXQR-ZTCHMBHUSA-N 2 1 418.585 3.927 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000536159043 1011286064 /nfs/dbraw/zinc/28/60/64/1011286064.db2.gz YJYYJHZDWFXXQR-ZTCHMBHUSA-N 2 1 418.585 3.927 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000536159043 1011286081 /nfs/dbraw/zinc/28/60/81/1011286081.db2.gz YJYYJHZDWFXXQR-ZTCHMBHUSA-N 2 1 418.585 3.927 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000536192732 1011333053 /nfs/dbraw/zinc/33/30/53/1011333053.db2.gz OZOWKQNMQDGAFC-OEMFJLHTSA-N 2 1 406.574 3.595 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000536192732 1011333062 /nfs/dbraw/zinc/33/30/62/1011333062.db2.gz OZOWKQNMQDGAFC-OEMFJLHTSA-N 2 1 406.574 3.595 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000536192732 1011333071 /nfs/dbraw/zinc/33/30/71/1011333071.db2.gz OZOWKQNMQDGAFC-OEMFJLHTSA-N 2 1 406.574 3.595 20 0 HHADMP C[C@@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000523101529 1011571530 /nfs/dbraw/zinc/57/15/30/1011571530.db2.gz NDOITTFMHWXMDP-HNNXBMFYSA-N 2 1 406.452 3.985 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000536370080 1011579416 /nfs/dbraw/zinc/57/94/16/1011579416.db2.gz JASLUCYSHYGTRQ-RBBKRZOGSA-N 2 1 412.965 3.821 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000536370080 1011579428 /nfs/dbraw/zinc/57/94/28/1011579428.db2.gz JASLUCYSHYGTRQ-RBBKRZOGSA-N 2 1 412.965 3.821 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000523130553 1011600256 /nfs/dbraw/zinc/60/02/56/1011600256.db2.gz GDPPRTVYPAHJMB-NJYVYQBISA-N 2 1 400.611 3.694 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]CCCCN2C(=O)c3ccccc3C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000540983972 1011617864 /nfs/dbraw/zinc/61/78/64/1011617864.db2.gz NXRIOQSDZYRJKX-CTNGQTDRSA-N 2 1 405.542 3.706 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]CCCCN2C(=O)c3ccccc3C2=O)CC[N@H+]1Cc1ccccc1 ZINC000540983972 1011617870 /nfs/dbraw/zinc/61/78/70/1011617870.db2.gz NXRIOQSDZYRJKX-CTNGQTDRSA-N 2 1 405.542 3.706 20 0 HHADMP CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(C[NH+](C[C@H]3CCCCO3)C(C)C)cc2)C1 ZINC000541032913 1011667355 /nfs/dbraw/zinc/66/73/55/1011667355.db2.gz CVBGOLKZCACYAL-JTHBVZDNSA-N 2 1 416.610 3.929 20 0 HHADMP CC[NH+]1CC[C@@H](CNC(=O)Nc2ccc(C[N@H+](C[C@H]3CCCCO3)C(C)C)cc2)C1 ZINC000541032913 1011667358 /nfs/dbraw/zinc/66/73/58/1011667358.db2.gz CVBGOLKZCACYAL-JTHBVZDNSA-N 2 1 416.610 3.929 20 0 HHADMP CC[NH+]1CC[C@@H](CNC(=O)Nc2ccc(C[N@@H+](C[C@H]3CCCCO3)C(C)C)cc2)C1 ZINC000541032913 1011667367 /nfs/dbraw/zinc/66/73/67/1011667367.db2.gz CVBGOLKZCACYAL-JTHBVZDNSA-N 2 1 416.610 3.929 20 0 HHADMP C[C@H](NC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C(C)(C)C[NH+](C)C ZINC000536460390 1011680858 /nfs/dbraw/zinc/68/08/58/1011680858.db2.gz UKCABBKABKXALC-ZSZQSSIHSA-N 2 1 412.981 3.747 20 0 HHADMP CC[NH+](CC)CCCC1CC[NH+](Cc2nc(-c3ccc4c(c3)OCO4)no2)CC1 ZINC000541084174 1011725517 /nfs/dbraw/zinc/72/55/17/1011725517.db2.gz IPAWCEFOVUUCTG-UHFFFAOYSA-N 2 1 400.523 3.799 20 0 HHADMP CCC[N@H+](Cc1ccc(C(=O)OCC)o1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000536668601 1011823159 /nfs/dbraw/zinc/82/31/59/1011823159.db2.gz YQKXUYXPFYCMRS-UHFFFAOYSA-N 2 1 400.523 3.744 20 0 HHADMP CCC[N@@H+](Cc1ccc(C(=O)OCC)o1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000536668601 1011823173 /nfs/dbraw/zinc/82/31/73/1011823173.db2.gz YQKXUYXPFYCMRS-UHFFFAOYSA-N 2 1 400.523 3.744 20 0 HHADMP COC(=O)COc1c(C)cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1C ZINC000536673599 1011831675 /nfs/dbraw/zinc/83/16/75/1011831675.db2.gz OZXBSBDEUDAUIU-QFIPXVFZSA-N 2 1 410.558 3.809 20 0 HHADMP COC(=O)COc1c(C)cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000536673599 1011831701 /nfs/dbraw/zinc/83/17/01/1011831701.db2.gz OZXBSBDEUDAUIU-QFIPXVFZSA-N 2 1 410.558 3.809 20 0 HHADMP COC(=O)COc1c(C)cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000536673599 1011831721 /nfs/dbraw/zinc/83/17/21/1011831721.db2.gz OZXBSBDEUDAUIU-QFIPXVFZSA-N 2 1 410.558 3.809 20 0 HHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000536694753 1011862322 /nfs/dbraw/zinc/86/23/22/1011862322.db2.gz VBYCDENJQZTWCS-DEOSSOPVSA-N 2 1 419.573 3.867 20 0 HHADMP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c1 ZINC000541213446 1011884703 /nfs/dbraw/zinc/88/47/03/1011884703.db2.gz VBWVUPOWCXTLNH-OAHLLOKOSA-N 2 1 424.476 3.613 20 0 HHADMP COc1ccc(-c2nnc(C[N@@H+](C)CCC3CCN(c4cc[nH+]cc4)CC3)o2)cc1 ZINC000536713089 1011885371 /nfs/dbraw/zinc/88/53/71/1011885371.db2.gz FVKCJAXYWGFXQT-UHFFFAOYSA-N 2 1 407.518 3.879 20 0 HHADMP COC(=O)COc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000541236605 1011913920 /nfs/dbraw/zinc/91/39/20/1011913920.db2.gz SABOKFRMRICWKC-UHFFFAOYSA-N 2 1 408.542 3.727 20 0 HHADMP Cc1ccc(NC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000523445356 1011940095 /nfs/dbraw/zinc/94/00/95/1011940095.db2.gz GXWPMZSHZPIYDH-PZJWPPBQSA-N 2 1 410.562 3.892 20 0 HHADMP CC[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000541322315 1012032048 /nfs/dbraw/zinc/03/20/48/1012032048.db2.gz WUNZNGONOXETMG-UHFFFAOYSA-N 2 1 413.393 3.741 20 0 HHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cscc2Br)c2cccs2)CC1 ZINC000551977734 1012035372 /nfs/dbraw/zinc/03/53/72/1012035372.db2.gz BMOPPMMEYYWDBA-OAHLLOKOSA-N 2 1 400.411 3.650 20 0 HHADMP COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(C)c1OC ZINC000552065568 1012082349 /nfs/dbraw/zinc/08/23/49/1012082349.db2.gz FUMWDRWNXKIXKT-FDDCHVKYSA-N 2 1 412.574 3.690 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]Cc4cccc(N5CCOCC5)n4)[C@@H]3C2)cc1 ZINC000552067619 1012085824 /nfs/dbraw/zinc/08/58/24/1012085824.db2.gz RJMLLEZBXBUKLX-ICDZXHCJSA-N 2 1 420.601 3.699 20 0 HHADMP Cn1nccc1[C@H]1[C@H](C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCCN1C ZINC000552089474 1012104782 /nfs/dbraw/zinc/10/47/82/1012104782.db2.gz LEBZMRFQUIEMAW-CRVIJBJFSA-N 2 1 409.622 3.836 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)[C@@H](C)C1 ZINC000536867110 1012104833 /nfs/dbraw/zinc/10/48/33/1012104833.db2.gz BPSWHGMSGAWXFC-QFBILLFUSA-N 2 1 406.958 3.659 20 0 HHADMP Clc1ccccc1C[NH+]1CCC(NCC2([NH+]3CCCCC3)CCOCC2)CC1 ZINC000536872249 1012112806 /nfs/dbraw/zinc/11/28/06/1012112806.db2.gz SHPNOLREWVEBEJ-UHFFFAOYSA-N 2 1 406.014 3.929 20 0 HHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000523598681 1012161246 /nfs/dbraw/zinc/16/12/46/1012161246.db2.gz XEHIRUWEDPVJDX-MOPGFXCFSA-N 2 1 406.640 3.770 20 0 HHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000523598681 1012161255 /nfs/dbraw/zinc/16/12/55/1012161255.db2.gz XEHIRUWEDPVJDX-MOPGFXCFSA-N 2 1 406.640 3.770 20 0 HHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000523598681 1012161262 /nfs/dbraw/zinc/16/12/62/1012161262.db2.gz XEHIRUWEDPVJDX-MOPGFXCFSA-N 2 1 406.640 3.770 20 0 HHADMP COc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523612616 1012183612 /nfs/dbraw/zinc/18/36/12/1012183612.db2.gz JTJXELDCVFCUGK-QHCPKHFHSA-N 2 1 407.558 3.744 20 0 HHADMP COc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523612616 1012183622 /nfs/dbraw/zinc/18/36/22/1012183622.db2.gz JTJXELDCVFCUGK-QHCPKHFHSA-N 2 1 407.558 3.744 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000523666380 1012261664 /nfs/dbraw/zinc/26/16/64/1012261664.db2.gz CGDKRFRRPVRICH-FQEVSTJZSA-N 2 1 400.611 3.840 20 0 HHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCCCCn3nnc(-c4ccccc4)n3)C2)CC1 ZINC000552273453 1012286847 /nfs/dbraw/zinc/28/68/47/1012286847.db2.gz AZXSDAVOFXHAPT-QFIPXVFZSA-N 2 1 410.610 3.954 20 0 HHADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3ccc(C[NH+]4CCCCC4)cc3)c2)CCO1 ZINC000552396353 1012407924 /nfs/dbraw/zinc/40/79/24/1012407924.db2.gz OUWGRBPSDJQEQS-NRFANRHFSA-N 2 1 421.585 3.823 20 0 HHADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ccc(C[NH+]4CCCCC4)cc3)c2)CCO1 ZINC000552396353 1012407935 /nfs/dbraw/zinc/40/79/35/1012407935.db2.gz OUWGRBPSDJQEQS-NRFANRHFSA-N 2 1 421.585 3.823 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000537166893 1012569172 /nfs/dbraw/zinc/56/91/72/1012569172.db2.gz HZNFFRHYKYTMAP-HOTGVXAUSA-N 2 1 406.486 3.630 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000523905349 1012619704 /nfs/dbraw/zinc/61/97/04/1012619704.db2.gz OOTKABPDPUYZPW-FJIJXJHWSA-N 2 1 415.626 3.588 20 0 HHADMP C[NH+]1CCC(Oc2ccc(CNC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000552782618 1012788488 /nfs/dbraw/zinc/78/84/88/1012788488.db2.gz WPPSHPZBCQFHJC-QHCPKHFHSA-N 2 1 421.585 3.688 20 0 HHADMP CC(C)[N@H+](Cc1ccc(NC(=O)NCC2CC[NH+](C)CC2)cc1)C[C@H]1CCCCO1 ZINC000541961707 1012824424 /nfs/dbraw/zinc/82/44/24/1012824424.db2.gz CWWBXNPUHLDLEK-HSZRJFAPSA-N 2 1 416.610 3.929 20 0 HHADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000524139952 1012925946 /nfs/dbraw/zinc/92/59/46/1012925946.db2.gz HKMIPAQMOAPMKM-YYTDSSBASA-N 2 1 400.611 3.944 20 0 HHADMP Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000729683412 1071798488 /nfs/dbraw/zinc/79/84/88/1071798488.db2.gz NGYZJTZGKJYHEE-UHFFFAOYSA-N 2 1 410.393 3.605 20 0 HHADMP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000611963299 1072176754 /nfs/dbraw/zinc/17/67/54/1072176754.db2.gz KZZTUTXDCRCKTQ-TZIWHRDSSA-N 2 1 423.557 3.692 20 0 HHADMP C[N@H+](C[C@H](O)CN1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)C1CC1 ZINC001168324870 1072504460 /nfs/dbraw/zinc/50/44/60/1072504460.db2.gz PEUYDKFGKPXWBJ-BJKOFHAPSA-N 2 1 413.993 3.502 20 0 HHADMP C[N@@H+](C[C@H](O)CN1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)C1CC1 ZINC001168324870 1072504468 /nfs/dbraw/zinc/50/44/68/1072504468.db2.gz PEUYDKFGKPXWBJ-BJKOFHAPSA-N 2 1 413.993 3.502 20 0 HHADMP C[N@H+](C[C@H](O)CN1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)C1CC1 ZINC001168324876 1072504645 /nfs/dbraw/zinc/50/46/45/1072504645.db2.gz PEUYDKFGKPXWBJ-ZEQRLZLVSA-N 2 1 413.993 3.502 20 0 HHADMP C[N@@H+](C[C@H](O)CN1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)C1CC1 ZINC001168324876 1072504654 /nfs/dbraw/zinc/50/46/54/1072504654.db2.gz PEUYDKFGKPXWBJ-ZEQRLZLVSA-N 2 1 413.993 3.502 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCCOc3ccc4ccccc4c3)CC2)CC1 ZINC000595593102 1072568717 /nfs/dbraw/zinc/56/87/17/1072568717.db2.gz YDEYWUBZPDMPBL-UHFFFAOYSA-N 2 1 423.601 3.875 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000554853306 1072902718 /nfs/dbraw/zinc/90/27/18/1072902718.db2.gz ADWLHWNTSPYGEY-HXUWFJFHSA-N 2 1 401.492 3.992 20 0 HHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC(OCCC(C)C)CC3)CC2)cc1 ZINC000554879101 1072932236 /nfs/dbraw/zinc/93/22/36/1072932236.db2.gz MALICIRCQORMFZ-UHFFFAOYSA-N 2 1 415.622 3.556 20 0 HHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC(OCCC(C)C)CC3)CC2)cc1 ZINC000554879101 1072932239 /nfs/dbraw/zinc/93/22/39/1072932239.db2.gz MALICIRCQORMFZ-UHFFFAOYSA-N 2 1 415.622 3.556 20 0 HHADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1)C2 ZINC000555071012 1073130642 /nfs/dbraw/zinc/13/06/42/1073130642.db2.gz XZHMNRJHNKKSJN-XMMPIXPASA-N 2 1 416.569 3.915 20 0 HHADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1)C2 ZINC000555071012 1073130645 /nfs/dbraw/zinc/13/06/45/1073130645.db2.gz XZHMNRJHNKKSJN-XMMPIXPASA-N 2 1 416.569 3.915 20 0 HHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3nnc(-c4ccccc4Cl)o3)CC2)C[C@H](C)O1 ZINC000588708635 1073154531 /nfs/dbraw/zinc/15/45/31/1073154531.db2.gz BDADJEVPNFCKST-HOTGVXAUSA-N 2 1 404.942 3.711 20 0 HHADMP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588709484 1073156076 /nfs/dbraw/zinc/15/60/76/1073156076.db2.gz BWSJPLRUVIIJJR-SOLBZPMBSA-N 2 1 407.986 3.797 20 0 HHADMP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588709484 1073156082 /nfs/dbraw/zinc/15/60/82/1073156082.db2.gz BWSJPLRUVIIJJR-SOLBZPMBSA-N 2 1 407.986 3.797 20 0 HHADMP Cc1cc(CNC(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)cc(N2CCCC2)[nH+]1 ZINC000555176335 1073235451 /nfs/dbraw/zinc/23/54/51/1073235451.db2.gz LZBZIWAVNSSKKD-OAQYLSRUSA-N 2 1 401.599 3.690 20 0 HHADMP C[C@H](c1ccc(F)cc1)N1CC[C@@H](N2CCC[C@H](c3ncc4n3CCCC4)C2)C1=O ZINC000555501249 1073565048 /nfs/dbraw/zinc/56/50/48/1073565048.db2.gz JDGIXDAHEXLJNM-ZWCUEREDSA-N 2 1 410.537 3.900 20 0 HHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]Cc3ccc(N4CCCC4)nc3)C3(C2)CCOCC3)cc1 ZINC000555612280 1073674909 /nfs/dbraw/zinc/67/49/09/1073674909.db2.gz KNPQSTZWYILIJO-DEOSSOPVSA-N 2 1 420.601 3.700 20 0 HHADMP COCCC[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000555946837 1073994240 /nfs/dbraw/zinc/99/42/40/1073994240.db2.gz UEJQXKCOZGUTFB-LEWJYISDSA-N 2 1 405.583 3.933 20 0 HHADMP COCCC[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000555946844 1073994324 /nfs/dbraw/zinc/99/43/24/1073994324.db2.gz UEJQXKCOZGUTFB-SFTDATJTSA-N 2 1 405.583 3.933 20 0 HHADMP C[NH+](C)CC1CC[NH+](CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)CC1 ZINC000591080076 1074101247 /nfs/dbraw/zinc/10/12/47/1074101247.db2.gz SEZBHPOUQOGAIO-UHFFFAOYSA-N 2 1 409.578 3.742 20 0 HHADMP CCN(C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000760596542 1074145069 /nfs/dbraw/zinc/14/50/69/1074145069.db2.gz KURAVWFTTWXHTR-JOCHJYFZSA-N 2 1 421.589 3.567 20 0 HHADMP CC[NH+]1CCC(C[NH2+][C@@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)CC1 ZINC000573120965 1074212886 /nfs/dbraw/zinc/21/28/86/1074212886.db2.gz RKOABXXPDMLCFD-QFIPXVFZSA-N 2 1 422.541 3.779 20 0 HHADMP C[NH+]1CCN([C@H](C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)c2ccccc2)CC1 ZINC000591446958 1074302877 /nfs/dbraw/zinc/30/28/77/1074302877.db2.gz OHQXQHAACZCUGX-VWLOTQADSA-N 2 1 420.601 3.990 20 0 HHADMP Cc1[nH+]ccn1CCNC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000591583866 1074426663 /nfs/dbraw/zinc/42/66/63/1074426663.db2.gz AKWNUTSGKHONBM-UHFFFAOYSA-N 2 1 412.365 3.662 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC000591617469 1074444128 /nfs/dbraw/zinc/44/41/28/1074444128.db2.gz VSGJXMDYSIEOAV-OAQYLSRUSA-N 2 1 408.590 3.787 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)cc2)C1 ZINC000592487479 1074768539 /nfs/dbraw/zinc/76/85/39/1074768539.db2.gz RHZDGFRKNGRWID-VIZSFHNOSA-N 2 1 412.622 3.981 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000592515367 1074778252 /nfs/dbraw/zinc/77/82/52/1074778252.db2.gz IGCLCLMAQQIVCE-QGZVFWFLSA-N 2 1 417.985 3.692 20 0 HHADMP O=C(N1CCC[C@H]([NH+]2CCCC2)C1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000593829939 1075229276 /nfs/dbraw/zinc/22/92/76/1075229276.db2.gz GDVRIJRWALGJFO-FPOVZHCZSA-N 2 1 409.496 3.528 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000594966303 1075388383 /nfs/dbraw/zinc/38/83/83/1075388383.db2.gz LZLOHKLYMPSOIY-FGZHOGPDSA-N 2 1 424.614 3.631 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000594966303 1075388385 /nfs/dbraw/zinc/38/83/85/1075388385.db2.gz LZLOHKLYMPSOIY-FGZHOGPDSA-N 2 1 424.614 3.631 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000594966303 1075388388 /nfs/dbraw/zinc/38/83/88/1075388388.db2.gz LZLOHKLYMPSOIY-FGZHOGPDSA-N 2 1 424.614 3.631 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000594966303 1075388392 /nfs/dbraw/zinc/38/83/92/1075388392.db2.gz LZLOHKLYMPSOIY-FGZHOGPDSA-N 2 1 424.614 3.631 20 0 HHADMP C[N@@H+]1[C@@H]2CC[C@H]1CC([C@H](NC(=O)N[C@@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1)C2 ZINC000670017302 1075619156 /nfs/dbraw/zinc/61/91/56/1075619156.db2.gz KWRISBCJDNKWII-HOPUUNBDSA-N 2 1 404.986 3.647 20 0 HHADMP C[NH+]1[C@@H]2CC[C@H]1CC([C@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1)C2 ZINC000670017302 1075619159 /nfs/dbraw/zinc/61/91/59/1075619159.db2.gz KWRISBCJDNKWII-HOPUUNBDSA-N 2 1 404.986 3.647 20 0 HHADMP C[NH+]1[C@@H]2CC[C@H]1CC([C@H](NC(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1)C2 ZINC000670017302 1075619161 /nfs/dbraw/zinc/61/91/61/1075619161.db2.gz KWRISBCJDNKWII-HOPUUNBDSA-N 2 1 404.986 3.647 20 0 HHADMP [NH3+]C1CC2(C1)CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164387290 718802310 /nfs/dbraw/zinc/80/23/10/718802310.db2.gz LXKVWSZPPWLSRV-UHFFFAOYSA-N 2 1 411.619 3.874 20 0 HHADMP FC(F)(F)[C@@H]1N(c2nc(Cl)ccc2C[NH+]2CCCC2)CCC12CC[NH2+]CC2 ZINC001164389805 718814600 /nfs/dbraw/zinc/81/46/00/718814600.db2.gz ZHQHTEYGRRVVHB-QGZVFWFLSA-N 2 1 402.892 3.842 20 0 HHADMP [NH3+][C@@]12C[C@@H]1CN(c1nc(C[NH+]3CCCCC3)nc3scc(-c4ccccc4)c31)C2 ZINC001164416211 718887999 /nfs/dbraw/zinc/88/79/99/718887999.db2.gz CBSYEUITDUKDHM-UZUQRXQVSA-N 2 1 405.571 3.882 20 0 HHADMP C[NH+]1CCC(Oc2ccnc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2)CC1 ZINC001164628444 719109981 /nfs/dbraw/zinc/10/99/81/719109981.db2.gz MVOXFYPACPWBOG-ZJSXRUAMSA-N 2 1 406.574 3.655 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(-c2cc3nc(Cl)cnc3cc2Cl)c2c1CC[NH2+]C2 ZINC001164681261 719617224 /nfs/dbraw/zinc/61/72/24/719617224.db2.gz FOQQHKXHODRIFN-UHFFFAOYSA-N 2 1 405.333 3.608 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(-c2cc3nc(Cl)cnc3cc2Cl)c2c1CC[NH2+]C2 ZINC001164681261 719617228 /nfs/dbraw/zinc/61/72/28/719617228.db2.gz FOQQHKXHODRIFN-UHFFFAOYSA-N 2 1 405.333 3.608 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2ccc3nc(Cl)cnc3c2)c2c1CC[NH2+]C2 ZINC001164681124 719619307 /nfs/dbraw/zinc/61/93/07/719619307.db2.gz BEEJZCGDARATRG-UHFFFAOYSA-N 2 1 420.895 3.563 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2ccc3nc(Cl)cnc3c2)c2c1CC[NH2+]C2 ZINC001164681124 719619315 /nfs/dbraw/zinc/61/93/15/719619315.db2.gz BEEJZCGDARATRG-UHFFFAOYSA-N 2 1 420.895 3.563 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)nc3cc(Cl)ccc32)c2c1CC[NH2+]C2 ZINC001164684727 719621024 /nfs/dbraw/zinc/62/10/24/719621024.db2.gz XBKILEIJIRTPJI-UHFFFAOYSA-N 2 1 405.333 3.608 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)nc3cc(Cl)ccc32)c2c1CC[NH2+]C2 ZINC001164684727 719621032 /nfs/dbraw/zinc/62/10/32/719621032.db2.gz XBKILEIJIRTPJI-UHFFFAOYSA-N 2 1 405.333 3.608 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(-c2cc(Cl)nc3c(F)ccc(F)c23)c2c1CC[NH2+]C2 ZINC001164685406 719652450 /nfs/dbraw/zinc/65/24/50/719652450.db2.gz ZZSWXZRTBGTXMO-UHFFFAOYSA-N 2 1 405.880 3.838 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(Cl)nc3c(F)ccc(F)c23)c2c1CC[NH2+]C2 ZINC001164685406 719652458 /nfs/dbraw/zinc/65/24/58/719652458.db2.gz ZZSWXZRTBGTXMO-UHFFFAOYSA-N 2 1 405.880 3.838 20 0 HHADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164842823 720587094 /nfs/dbraw/zinc/58/70/94/720587094.db2.gz VRFLDYGYDNUIGW-ZJOUEHCJSA-N 2 1 407.566 3.587 20 0 HHADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164842823 720587105 /nfs/dbraw/zinc/58/71/05/720587105.db2.gz VRFLDYGYDNUIGW-ZJOUEHCJSA-N 2 1 407.566 3.587 20 0 HHADMP Cc1cccc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164744791 720853215 /nfs/dbraw/zinc/85/32/15/720853215.db2.gz CJXDDPKQPMYKSA-BHIFYINESA-N 2 1 402.546 3.514 20 0 HHADMP Cc1cccc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164744791 720853217 /nfs/dbraw/zinc/85/32/17/720853217.db2.gz CJXDDPKQPMYKSA-BHIFYINESA-N 2 1 402.546 3.514 20 0 HHADMP Cc1c[nH+]c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(C)c1 ZINC001164756579 720888910 /nfs/dbraw/zinc/88/89/10/720888910.db2.gz QOPYWXKJYVTYJJ-ILBGXUMGSA-N 2 1 406.574 3.849 20 0 HHADMP Cc1c[nH+]c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(C)c1 ZINC001164756579 720888913 /nfs/dbraw/zinc/88/89/13/720888913.db2.gz QOPYWXKJYVTYJJ-ILBGXUMGSA-N 2 1 406.574 3.849 20 0 HHADMP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3[nH+]cc(Cn4cccn4)n3CC2)nc1 ZINC001164862741 721033313 /nfs/dbraw/zinc/03/33/13/721033313.db2.gz PLZQKTKZDUWXEJ-JOCHJYFZSA-N 2 1 419.577 3.523 20 0 HHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3[nH+]cc(Cn4cccn4)n3CC2)nc1 ZINC001164862741 721033320 /nfs/dbraw/zinc/03/33/20/721033320.db2.gz PLZQKTKZDUWXEJ-JOCHJYFZSA-N 2 1 419.577 3.523 20 0 HHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164877603 721180836 /nfs/dbraw/zinc/18/08/36/721180836.db2.gz OYLSTQXREXUXCO-TZRRMPRUSA-N 2 1 421.589 3.503 20 0 HHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164877603 721180854 /nfs/dbraw/zinc/18/08/54/721180854.db2.gz OYLSTQXREXUXCO-TZRRMPRUSA-N 2 1 421.589 3.503 20 0 HHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164877603 721180871 /nfs/dbraw/zinc/18/08/71/721180871.db2.gz OYLSTQXREXUXCO-TZRRMPRUSA-N 2 1 421.589 3.503 20 0 HHADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(N3CCCCC3)cc[nH+]1)CC2 ZINC001164795460 721498120 /nfs/dbraw/zinc/49/81/20/721498120.db2.gz HTZVFGCQXBBKQO-UHFFFAOYSA-N 2 1 406.578 3.743 20 0 HHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(N3CCCCC3)cc[nH+]1)CC2 ZINC001164795460 721498121 /nfs/dbraw/zinc/49/81/21/721498121.db2.gz HTZVFGCQXBBKQO-UHFFFAOYSA-N 2 1 406.578 3.743 20 0 HHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3C[NH+]3CCCC3)C[C@H]21 ZINC001165023257 721830620 /nfs/dbraw/zinc/83/06/20/721830620.db2.gz IKUTVQXIBBTPTN-TUACAJSNSA-N 2 1 405.590 3.809 20 0 HHADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCC[C@@H]([NH+](C)C)C3)n2)CCC4)CC1 ZINC001165034986 721896037 /nfs/dbraw/zinc/89/60/37/721896037.db2.gz JPRIJXZOJOJLDQ-QGZVFWFLSA-N 2 1 413.635 3.942 20 0 HHADMP CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976229 722158083 /nfs/dbraw/zinc/15/80/83/722158083.db2.gz VJUYDGBTENRUOI-QUCCMNQESA-N 2 1 400.954 3.588 20 0 HHADMP CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976229 722158084 /nfs/dbraw/zinc/15/80/84/722158084.db2.gz VJUYDGBTENRUOI-QUCCMNQESA-N 2 1 400.954 3.588 20 0 HHADMP CC(C)(c1ccnc(Cl)c1)[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976229 722158086 /nfs/dbraw/zinc/15/80/86/722158086.db2.gz VJUYDGBTENRUOI-QUCCMNQESA-N 2 1 400.954 3.588 20 0 HHADMP CC(C)(c1ccnc(Cl)c1)[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976229 722158090 /nfs/dbraw/zinc/15/80/90/722158090.db2.gz VJUYDGBTENRUOI-QUCCMNQESA-N 2 1 400.954 3.588 20 0 HHADMP C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000542142459 1013076891 /nfs/dbraw/zinc/07/68/91/1013076891.db2.gz MXAVOIIGIFBYMY-JTSKRJEESA-N 2 1 414.594 3.852 20 0 HHADMP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)NCC1(c2ccc(F)cc2)CCCC1 ZINC000303146185 971527484 /nfs/dbraw/zinc/52/74/84/971527484.db2.gz DSIINKARDBASKW-UHFFFAOYSA-N 2 1 401.570 3.562 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc(-c2ccccc2)nc1C ZINC000303157152 971533320 /nfs/dbraw/zinc/53/33/20/971533320.db2.gz UMCQJPOYUSCSFC-IBGZPJMESA-N 2 1 400.592 3.607 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000303166755 971538259 /nfs/dbraw/zinc/53/82/59/971538259.db2.gz FZYVTOHVIDGXCY-HSZRJFAPSA-N 2 1 400.611 3.936 20 0 HHADMP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)NCc1ccccc1COc1ccccc1 ZINC000303228661 971570880 /nfs/dbraw/zinc/57/08/80/971570880.db2.gz XQULMBIFBGOJLJ-UHFFFAOYSA-N 2 1 421.585 3.690 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)[NH+](C)Cc1ccccc1 ZINC000303428425 971709786 /nfs/dbraw/zinc/70/97/86/971709786.db2.gz BIAWCMRRKNXFNY-FQEVSTJZSA-N 2 1 412.553 3.564 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)[NH+](C)Cc1ccccc1 ZINC000303428425 971709793 /nfs/dbraw/zinc/70/97/93/971709793.db2.gz BIAWCMRRKNXFNY-FQEVSTJZSA-N 2 1 412.553 3.564 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000303428425 971709803 /nfs/dbraw/zinc/70/98/03/971709803.db2.gz BIAWCMRRKNXFNY-FQEVSTJZSA-N 2 1 412.553 3.564 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000303428425 971709813 /nfs/dbraw/zinc/70/98/13/971709813.db2.gz BIAWCMRRKNXFNY-FQEVSTJZSA-N 2 1 412.553 3.564 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000303429239 971711394 /nfs/dbraw/zinc/71/13/94/971711394.db2.gz FHNVXFUDEGDMPA-WQYPUDFKSA-N 2 1 403.570 3.963 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000303429239 971711403 /nfs/dbraw/zinc/71/14/03/971711403.db2.gz FHNVXFUDEGDMPA-WQYPUDFKSA-N 2 1 403.570 3.963 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000303429239 971711409 /nfs/dbraw/zinc/71/14/09/971711409.db2.gz FHNVXFUDEGDMPA-WQYPUDFKSA-N 2 1 403.570 3.963 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000303440193 971728965 /nfs/dbraw/zinc/72/89/65/971728965.db2.gz FOOSCUYVFPQFRT-CJIHJOFQSA-N 2 1 412.622 3.993 20 0 HHADMP C[C@H]1CCC[NH+](CCCCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000303440193 971728976 /nfs/dbraw/zinc/72/89/76/971728976.db2.gz FOOSCUYVFPQFRT-CJIHJOFQSA-N 2 1 412.622 3.993 20 0 HHADMP C[C@H]1CCC[NH+](CCCCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000303440193 971728986 /nfs/dbraw/zinc/72/89/86/971728986.db2.gz FOOSCUYVFPQFRT-CJIHJOFQSA-N 2 1 412.622 3.993 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000303451306 971751446 /nfs/dbraw/zinc/75/14/46/971751446.db2.gz IQLHWWTUXUDITK-JTHBVZDNSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@H](C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000303456518 971760149 /nfs/dbraw/zinc/76/01/49/971760149.db2.gz KCIIDCCUVMMKMV-LJQANCHMSA-N 2 1 406.574 3.602 20 0 HHADMP CCOCC[NH+]1CCN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC000303459434 971763038 /nfs/dbraw/zinc/76/30/38/971763038.db2.gz LBDICKZWNPPPLB-UHFFFAOYSA-N 2 1 402.583 3.637 20 0 HHADMP CCOCC[NH+]1CCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000303459434 971763044 /nfs/dbraw/zinc/76/30/44/971763044.db2.gz LBDICKZWNPPPLB-UHFFFAOYSA-N 2 1 402.583 3.637 20 0 HHADMP C[C@H](C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000303456518 971760152 /nfs/dbraw/zinc/76/01/52/971760152.db2.gz KCIIDCCUVMMKMV-LJQANCHMSA-N 2 1 406.574 3.602 20 0 HHADMP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[N@@H+](CC4CCCCC4)CC3)cc2)CC1 ZINC000303500085 971798595 /nfs/dbraw/zinc/79/85/95/971798595.db2.gz AIMMBHPIHFOEPK-UHFFFAOYSA-N 2 1 412.622 3.557 20 0 HHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000303550721 971848110 /nfs/dbraw/zinc/84/81/10/971848110.db2.gz JPHZEVCPIMRTGJ-IBGZPJMESA-N 2 1 414.594 3.584 20 0 HHADMP C[C@@H](C(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000303735846 971989453 /nfs/dbraw/zinc/98/94/53/971989453.db2.gz GMJPQYDUSLGUKG-TYBLODHISA-N 2 1 405.586 3.945 20 0 HHADMP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000303735846 971989455 /nfs/dbraw/zinc/98/94/55/971989455.db2.gz GMJPQYDUSLGUKG-TYBLODHISA-N 2 1 405.586 3.945 20 0 HHADMP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000303735846 971989457 /nfs/dbraw/zinc/98/94/57/971989457.db2.gz GMJPQYDUSLGUKG-TYBLODHISA-N 2 1 405.586 3.945 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1ccccc1Cl ZINC000553167683 1013127010 /nfs/dbraw/zinc/12/70/10/1013127010.db2.gz PRAUXHBKYSUBLD-BFYDXBDKSA-N 2 1 419.919 3.968 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1ccccc1Cl ZINC000553167683 1013127016 /nfs/dbraw/zinc/12/70/16/1013127016.db2.gz PRAUXHBKYSUBLD-BFYDXBDKSA-N 2 1 419.919 3.968 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cc(O)ccc3Br)CC2)CC1 ZINC000537620105 1013163915 /nfs/dbraw/zinc/16/39/15/1013163915.db2.gz QOLJULAOOSYEEW-UHFFFAOYSA-N 2 1 424.427 3.783 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cc(O)ccc3Br)CC2)CC1 ZINC000537620105 1013163928 /nfs/dbraw/zinc/16/39/28/1013163928.db2.gz QOLJULAOOSYEEW-UHFFFAOYSA-N 2 1 424.427 3.783 20 0 HHADMP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000303894768 972433728 /nfs/dbraw/zinc/43/37/28/972433728.db2.gz PVEIREPIGOIDHO-VWLOTQADSA-N 2 1 421.585 3.580 20 0 HHADMP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000303894768 972433731 /nfs/dbraw/zinc/43/37/31/972433731.db2.gz PVEIREPIGOIDHO-VWLOTQADSA-N 2 1 421.585 3.580 20 0 HHADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000303915725 972490180 /nfs/dbraw/zinc/49/01/80/972490180.db2.gz SNXVZGAMDUQBQX-DEOSSOPVSA-N 2 1 407.558 3.555 20 0 HHADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000303915725 972490185 /nfs/dbraw/zinc/49/01/85/972490185.db2.gz SNXVZGAMDUQBQX-DEOSSOPVSA-N 2 1 407.558 3.555 20 0 HHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC(COc4ccccc4)CC3)CC2)CC1 ZINC000553371802 1013308287 /nfs/dbraw/zinc/30/82/87/1013308287.db2.gz VZQKJTTTXWNRKD-UHFFFAOYSA-N 2 1 413.606 3.500 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000542395495 1013348947 /nfs/dbraw/zinc/34/89/47/1013348947.db2.gz XVKXJCWWTPWYGC-DSNGMDLFSA-N 2 1 421.585 3.642 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)[C@H]3CCCc4ccccc43)cc2)CC1 ZINC000015404754 962750078 /nfs/dbraw/zinc/75/00/78/962750078.db2.gz NADGZBQIVRLZTD-DEOSSOPVSA-N 2 1 406.574 3.776 20 0 HHADMP CC[N@@H+](CCC1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1)CC1CC1 ZINC000537810306 1013372591 /nfs/dbraw/zinc/37/25/91/1013372591.db2.gz KGHRQLODIQAAEC-UHFFFAOYSA-N 2 1 400.611 3.792 20 0 HHADMP CCCCO[C@H]1C[C@H](N(C)C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C1(C)C ZINC000553497012 1013398273 /nfs/dbraw/zinc/39/82/73/1013398273.db2.gz JWGASAKRVAGNDB-VXKWHMMOSA-N 2 1 407.643 3.625 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000537841433 1013402929 /nfs/dbraw/zinc/40/29/29/1013402929.db2.gz LLJXFXPDEMCWTQ-DEOSSOPVSA-N 2 1 406.574 3.814 20 0 HHADMP C[C@@H](C(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000553508004 1013408335 /nfs/dbraw/zinc/40/83/35/1013408335.db2.gz USJWGZDRYOVUNP-HFZDXXHNSA-N 2 1 403.570 3.558 20 0 HHADMP C[C@@H](C(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)[N@H+]1CCc2ccccc2C1 ZINC000553508004 1013408342 /nfs/dbraw/zinc/40/83/42/1013408342.db2.gz USJWGZDRYOVUNP-HFZDXXHNSA-N 2 1 403.570 3.558 20 0 HHADMP C[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)[NH+]1CCc2ccccc2C1 ZINC000553508004 1013408344 /nfs/dbraw/zinc/40/83/44/1013408344.db2.gz USJWGZDRYOVUNP-HFZDXXHNSA-N 2 1 403.570 3.558 20 0 HHADMP C[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[NH+]1CCc2ccccc2C1 ZINC000553508004 1013408348 /nfs/dbraw/zinc/40/83/48/1013408348.db2.gz USJWGZDRYOVUNP-HFZDXXHNSA-N 2 1 403.570 3.558 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000553513603 1013413274 /nfs/dbraw/zinc/41/32/74/1013413274.db2.gz LIXLYYZKAJEYNK-SIKLNZKXSA-N 2 1 407.668 3.707 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]Cc2cccc3ccccc32)c1 ZINC000048777991 964058245 /nfs/dbraw/zinc/05/82/45/964058245.db2.gz UKYQAFCRLRQEKT-UHFFFAOYSA-N 2 1 403.526 3.790 20 0 HHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccccc2OCc2ccccn2)c2cccs2)CC1 ZINC000025311214 964239368 /nfs/dbraw/zinc/23/93/68/964239368.db2.gz MMZJIMDCXLQBGZ-QFIPXVFZSA-N 2 1 422.598 3.800 20 0 HHADMP C[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000050137025 964274782 /nfs/dbraw/zinc/27/47/82/964274782.db2.gz XWMGAHYQMGNGIA-HXUWFJFHSA-N 2 1 400.592 3.521 20 0 HHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](C)[C@H](C)c3ccccc3)CC2)cc1 ZINC000542543079 1013488177 /nfs/dbraw/zinc/48/81/77/1013488177.db2.gz COHKOBFDASSFSM-LEWJYISDSA-N 2 1 409.574 3.511 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](C)[C@H](C)c3ccccc3)CC2)cc1 ZINC000542543079 1013488180 /nfs/dbraw/zinc/48/81/80/1013488180.db2.gz COHKOBFDASSFSM-LEWJYISDSA-N 2 1 409.574 3.511 20 0 HHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccccc2OCc2ccncc2)c2cccs2)CC1 ZINC000027217156 964822639 /nfs/dbraw/zinc/82/26/39/964822639.db2.gz OZJOHPKXXCJLKA-QFIPXVFZSA-N 2 1 422.598 3.800 20 0 HHADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3nc4cc(C(F)(F)F)ccc4o3)CC2)CC1 ZINC000542592161 1013532368 /nfs/dbraw/zinc/53/23/68/1013532368.db2.gz HWGGFSPRUCWSNK-UHFFFAOYSA-N 2 1 410.484 3.696 20 0 HHADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000537955495 1013535255 /nfs/dbraw/zinc/53/52/55/1013535255.db2.gz YMJQVDGWSJUWLS-IPMKNSEASA-N 2 1 409.368 3.630 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCC[N@H+](Cc4ccccc4)CC3)cc2)C[C@@H](C)O1 ZINC000028898736 965210700 /nfs/dbraw/zinc/21/07/00/965210700.db2.gz GFNKNUOMTYMGIO-FGZHOGPDSA-N 2 1 421.585 3.644 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)cc2)C[C@@H](C)O1 ZINC000028898736 965210707 /nfs/dbraw/zinc/21/07/07/965210707.db2.gz GFNKNUOMTYMGIO-FGZHOGPDSA-N 2 1 421.585 3.644 20 0 HHADMP COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000029173949 965295619 /nfs/dbraw/zinc/29/56/19/965295619.db2.gz ONHGSFONSQHRNW-QZTJIDSGSA-N 2 1 411.546 3.618 20 0 HHADMP COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000029173942 965296234 /nfs/dbraw/zinc/29/62/34/965296234.db2.gz ONHGSFONSQHRNW-HDICACEKSA-N 2 1 411.546 3.618 20 0 HHADMP COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000029173942 965296251 /nfs/dbraw/zinc/29/62/51/965296251.db2.gz ONHGSFONSQHRNW-HDICACEKSA-N 2 1 411.546 3.618 20 0 HHADMP CCOCCC[N@H+]1CC[C@H](NC[C@H](C(C)C)[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000537986587 1013561597 /nfs/dbraw/zinc/56/15/97/1013561597.db2.gz KCBBKTMDSKWDKB-GVXSCFBNSA-N 2 1 401.639 3.796 20 0 HHADMP CCOCCC[NH+]1CC[C@H](NC[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000537986587 1013561603 /nfs/dbraw/zinc/56/16/03/1013561603.db2.gz KCBBKTMDSKWDKB-GVXSCFBNSA-N 2 1 401.639 3.796 20 0 HHADMP CCOCCC[NH+]1CC[C@H](NC[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000537986587 1013561609 /nfs/dbraw/zinc/56/16/09/1013561609.db2.gz KCBBKTMDSKWDKB-GVXSCFBNSA-N 2 1 401.639 3.796 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C(C)C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000537986587 1013561617 /nfs/dbraw/zinc/56/16/17/1013561617.db2.gz KCBBKTMDSKWDKB-GVXSCFBNSA-N 2 1 401.639 3.796 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C(C)C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000537986587 1013561623 /nfs/dbraw/zinc/56/16/23/1013561623.db2.gz KCBBKTMDSKWDKB-GVXSCFBNSA-N 2 1 401.639 3.796 20 0 HHADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000054608702 965582084 /nfs/dbraw/zinc/58/20/84/965582084.db2.gz HUJOJCCYFWUNEO-UHFFFAOYSA-N 2 1 418.545 3.561 20 0 HHADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCCSCc3ccccc3)CC2)C[C@H](C)O1 ZINC000538045958 1013618527 /nfs/dbraw/zinc/61/85/27/1013618527.db2.gz RUJGZQZXKKIFDE-SFTDATJTSA-N 2 1 406.636 3.900 20 0 HHADMP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000060270299 966082853 /nfs/dbraw/zinc/08/28/53/966082853.db2.gz AUFLJTRUXLMPNV-HSZRJFAPSA-N 2 1 408.521 3.533 20 0 HHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061791042 966555288 /nfs/dbraw/zinc/55/52/88/966555288.db2.gz QHGVYVZBISOJKS-MOPGFXCFSA-N 2 1 404.624 3.520 20 0 HHADMP C[C@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000061792330 966556631 /nfs/dbraw/zinc/55/66/31/966556631.db2.gz ODRRMVVCACAERE-RTBURBONSA-N 2 1 404.624 3.520 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063331927 966823245 /nfs/dbraw/zinc/82/32/45/966823245.db2.gz XAQOZDSUMDQKAE-UHFFFAOYSA-N 2 1 400.611 3.981 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[NH+](Cc3ccc(OC)cc3)CC2)c1 ZINC000064229714 967094768 /nfs/dbraw/zinc/09/47/68/967094768.db2.gz MCXZLBFPBNYFRI-UHFFFAOYSA-N 2 1 424.589 3.564 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)c1 ZINC000064229714 967094772 /nfs/dbraw/zinc/09/47/72/967094772.db2.gz MCXZLBFPBNYFRI-UHFFFAOYSA-N 2 1 424.589 3.564 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)c1 ZINC000064229714 967094781 /nfs/dbraw/zinc/09/47/81/967094781.db2.gz MCXZLBFPBNYFRI-UHFFFAOYSA-N 2 1 424.589 3.564 20 0 HHADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000542848287 1013707514 /nfs/dbraw/zinc/70/75/14/1013707514.db2.gz WWOWGQWSIVPEPS-DVECYGJZSA-N 2 1 424.589 3.978 20 0 HHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000542847715 1013706798 /nfs/dbraw/zinc/70/67/98/1013706798.db2.gz XBZSZNDXYVWMBJ-DQEYMECFSA-N 2 1 402.542 3.507 20 0 HHADMP O[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C[NH+]1CCCC1 ZINC000065274813 967423633 /nfs/dbraw/zinc/42/36/33/967423633.db2.gz BTNHOKNEADWLHE-QFIPXVFZSA-N 2 1 416.525 3.832 20 0 HHADMP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553955489 1013721715 /nfs/dbraw/zinc/72/17/15/1013721715.db2.gz RNDBCWMPAWEDKL-VWLOTQADSA-N 2 1 410.606 3.701 20 0 HHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1 ZINC000065442235 967467918 /nfs/dbraw/zinc/46/79/18/967467918.db2.gz CEVJHXOYOVQGHM-OAQYLSRUSA-N 2 1 408.590 3.945 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NCc2cccc(OC(C)C)c2)cc1 ZINC000542887136 1013734239 /nfs/dbraw/zinc/73/42/39/1013734239.db2.gz ZEDPGZXFHZRSGW-GOSISDBHSA-N 2 1 406.530 3.935 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N[C@@H](C)Cc2c(F)cccc2F)cc1 ZINC000542887208 1013734760 /nfs/dbraw/zinc/73/47/60/1013734760.db2.gz YCIDWJBDOUPDOB-JKSUJKDBSA-N 2 1 412.484 3.857 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC000047127980 968061842 /nfs/dbraw/zinc/06/18/42/968061842.db2.gz RVCISPXFBGIZGZ-KDURUIRLSA-N 2 1 410.562 3.679 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC000047127980 968061850 /nfs/dbraw/zinc/06/18/50/968061850.db2.gz RVCISPXFBGIZGZ-KDURUIRLSA-N 2 1 410.562 3.679 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000047935857 968370187 /nfs/dbraw/zinc/37/01/87/968370187.db2.gz XPLAELXDWIOGIW-JOCHJYFZSA-N 2 1 400.542 3.768 20 0 HHADMP COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c(OC)c1 ZINC000048564818 968604815 /nfs/dbraw/zinc/60/48/15/968604815.db2.gz SYZFKGRWDBULQI-SFHVURJKSA-N 2 1 403.567 3.619 20 0 HHADMP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000538274110 1013813376 /nfs/dbraw/zinc/81/33/76/1013813376.db2.gz HATSHOZZIOWRSW-JOCHJYFZSA-N 3 1 409.574 3.705 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000065881507 968699030 /nfs/dbraw/zinc/69/90/30/968699030.db2.gz NZIWWLOLSQRAGY-ZFJSRUIDSA-N 2 1 409.549 3.989 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000065881507 968699040 /nfs/dbraw/zinc/69/90/40/968699040.db2.gz NZIWWLOLSQRAGY-ZFJSRUIDSA-N 2 1 409.549 3.989 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000065881507 968699046 /nfs/dbraw/zinc/69/90/46/968699046.db2.gz NZIWWLOLSQRAGY-ZFJSRUIDSA-N 2 1 409.549 3.989 20 0 HHADMP COc1cccc([C@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)[NH+]2CCCC2)c1 ZINC000072027244 968941083 /nfs/dbraw/zinc/94/10/83/968941083.db2.gz FSFAXUWLRUKWRH-RPWUZVMVSA-N 2 1 407.558 3.613 20 0 HHADMP COCC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@@H](C)c1ccccc1 ZINC000554208071 1013852413 /nfs/dbraw/zinc/85/24/13/1013852413.db2.gz AVFIXTGKTYGQLH-QFIPXVFZSA-N 2 1 423.601 3.785 20 0 HHADMP COCC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@@H](C)c1ccccc1 ZINC000554208071 1013852422 /nfs/dbraw/zinc/85/24/22/1013852422.db2.gz AVFIXTGKTYGQLH-QFIPXVFZSA-N 2 1 423.601 3.785 20 0 HHADMP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)cc2)CC1 ZINC000109219832 969481052 /nfs/dbraw/zinc/48/10/52/969481052.db2.gz WPNLUGCMDDPWBN-UHFFFAOYSA-N 2 1 420.601 3.565 20 0 HHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)CC1 ZINC000554262958 1013882453 /nfs/dbraw/zinc/88/24/53/1013882453.db2.gz FGQCGUPWBLXWQL-YKSBVNFPSA-N 2 1 406.574 3.507 20 0 HHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)CC1 ZINC000554262958 1013882460 /nfs/dbraw/zinc/88/24/60/1013882460.db2.gz FGQCGUPWBLXWQL-YKSBVNFPSA-N 2 1 406.574 3.507 20 0 HHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@H](C)C[C@H]2c2cccnc2)CC1 ZINC000554262958 1013882467 /nfs/dbraw/zinc/88/24/67/1013882467.db2.gz FGQCGUPWBLXWQL-YKSBVNFPSA-N 2 1 406.574 3.507 20 0 HHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@H](C)C[C@H]2c2cccnc2)CC1 ZINC000554262958 1013882473 /nfs/dbraw/zinc/88/24/73/1013882473.db2.gz FGQCGUPWBLXWQL-YKSBVNFPSA-N 2 1 406.574 3.507 20 0 HHADMP Cc1nn(-c2ccccc2)c(Cl)c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000109544834 969531238 /nfs/dbraw/zinc/53/12/38/969531238.db2.gz MMMUZSGCYLZZIN-UHFFFAOYSA-N 2 1 402.970 3.768 20 0 HHADMP C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000110152495 969630776 /nfs/dbraw/zinc/63/07/76/969630776.db2.gz LXSOISMOVMSBSX-GHTZIAJQSA-N 2 1 411.512 3.678 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCOc3cccc(Br)c3)CC2)C[C@H](C)O1 ZINC000110427929 969666601 /nfs/dbraw/zinc/66/66/01/969666601.db2.gz DEBOLQSABKLSAP-CALCHBBNSA-N 2 1 411.384 3.649 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)C1CC[NH+](Cc2csc(C)n2)CC1)c1ccccc1 ZINC000110442554 969668991 /nfs/dbraw/zinc/66/89/91/969668991.db2.gz UKZGULRDQBGWLH-QFIPXVFZSA-N 2 1 414.619 3.863 20 0 HHADMP COc1ccc([C@H]([NH2+]CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)C2CC2)cc1 ZINC000195668043 969944186 /nfs/dbraw/zinc/94/41/86/969944186.db2.gz VKGIONKEOPYGRZ-AREMUKBSSA-N 2 1 421.585 3.779 20 0 HHADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000139895280 970051313 /nfs/dbraw/zinc/05/13/13/970051313.db2.gz NLEVVXPVLBRDOX-OAQYLSRUSA-N 2 1 410.587 3.631 20 0 HHADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000139895280 970051319 /nfs/dbraw/zinc/05/13/19/970051319.db2.gz NLEVVXPVLBRDOX-OAQYLSRUSA-N 2 1 410.587 3.631 20 0 HHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000139918292 970053697 /nfs/dbraw/zinc/05/36/97/970053697.db2.gz FNAAPUBTKQUTTQ-NRFANRHFSA-N 2 1 411.615 3.989 20 0 HHADMP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000236950371 970192615 /nfs/dbraw/zinc/19/26/15/970192615.db2.gz BHNHVBABDSGLJR-KRWDZBQOSA-N 2 1 423.026 3.739 20 0 HHADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)c[nH]1 ZINC000237069711 970217502 /nfs/dbraw/zinc/21/75/02/970217502.db2.gz NMVFSEVODVZVAE-QFBILLFUSA-N 2 1 409.452 3.993 20 0 HHADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)c[nH]1 ZINC000237069711 970217506 /nfs/dbraw/zinc/21/75/06/970217506.db2.gz NMVFSEVODVZVAE-QFBILLFUSA-N 2 1 409.452 3.993 20 0 HHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000237163739 970233601 /nfs/dbraw/zinc/23/36/01/970233601.db2.gz STKOWDNCXAOTFN-UHFFFAOYSA-N 2 1 418.029 3.565 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2cc(Cl)ccc2O)c1)C1CCOCC1 ZINC000237202634 970240301 /nfs/dbraw/zinc/24/03/01/970240301.db2.gz HGNVYUHRMAKKEZ-UHFFFAOYSA-N 2 1 404.938 3.825 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2ccc(-n3ccnc3)cc2)c1)C1CCOCC1 ZINC000237206309 970241526 /nfs/dbraw/zinc/24/15/26/970241526.db2.gz AAURLIQFHQTGFF-UHFFFAOYSA-N 2 1 420.557 3.652 20 0 HHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C[C@H](C)O1 ZINC000237610989 970322295 /nfs/dbraw/zinc/32/22/95/970322295.db2.gz UUPLKQTWEOJHMT-IYBDPMFKSA-N 2 1 421.383 3.818 20 0 HHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000237711401 970345100 /nfs/dbraw/zinc/34/51/00/970345100.db2.gz OJUYDQWDQHXSGE-UHFFFAOYSA-N 2 1 404.558 3.784 20 0 HHADMP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3nc(-c4ccccc4)cs3)c2)C1 ZINC000237924959 970395216 /nfs/dbraw/zinc/39/52/16/970395216.db2.gz VPACPGBIUGPJIO-OAQYLSRUSA-N 2 1 420.582 3.797 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3nc(-c4ccccc4)cs3)c2)C1 ZINC000237924959 970395226 /nfs/dbraw/zinc/39/52/26/970395226.db2.gz VPACPGBIUGPJIO-OAQYLSRUSA-N 2 1 420.582 3.797 20 0 HHADMP O[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000237974571 970408943 /nfs/dbraw/zinc/40/89/43/970408943.db2.gz JRVZPOUUEOUJFD-JOCHJYFZSA-N 2 1 410.949 3.739 20 0 HHADMP O=C(Nc1cccc(C[NH2+]CCC[NH+]2CCC(O)CC2)c1)c1ccc(Cl)cc1 ZINC000238151923 970451577 /nfs/dbraw/zinc/45/15/77/970451577.db2.gz XUMQVMYLZMLZBB-UHFFFAOYSA-N 2 1 401.938 3.529 20 0 HHADMP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000250800226 970539231 /nfs/dbraw/zinc/53/92/31/970539231.db2.gz DKMDRTAYYQDUGH-RPWUZVMVSA-N 2 1 423.576 3.719 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000250800226 970539240 /nfs/dbraw/zinc/53/92/40/970539240.db2.gz DKMDRTAYYQDUGH-RPWUZVMVSA-N 2 1 423.576 3.719 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000252147097 970554875 /nfs/dbraw/zinc/55/48/75/970554875.db2.gz OBQNSAUFTJHWCC-QHAWAJNXSA-N 2 1 404.599 3.864 20 0 HHADMP C[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381303945 972780333 /nfs/dbraw/zinc/78/03/33/972780333.db2.gz BHEAXQRKRQPIAP-SCWSEQNSSA-N 2 1 403.364 3.983 20 0 HHADMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)COc1ccc(Cl)cc1Cl ZINC000389120850 972810184 /nfs/dbraw/zinc/81/01/84/972810184.db2.gz OPVHWSGYZVPTEK-IBGZPJMESA-N 2 1 409.357 3.987 20 0 HHADMP [NH3+]C1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4ccc(Br)cc4)o3)C2)CC1 ZINC000393035856 972860097 /nfs/dbraw/zinc/86/00/97/972860097.db2.gz UHEZLYWFADUYLW-SFHVURJKSA-N 2 1 404.352 3.707 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000410355771 973947157 /nfs/dbraw/zinc/94/71/57/973947157.db2.gz SSJJEQTWMNKAPB-FQEVSTJZSA-N 2 1 400.611 3.981 20 0 HHADMP Cc1cccc(C[NH+]2CCN(C(=O)NCc3ccccc3C[N@@H+](C)C(C)C)CC2)c1 ZINC000410373430 973970491 /nfs/dbraw/zinc/97/04/91/973970491.db2.gz QJYQYDOYHMBVOK-UHFFFAOYSA-N 2 1 408.590 3.863 20 0 HHADMP Cc1cccc(C[NH+]2CCN(C(=O)NCc3ccccc3C[N@H+](C)C(C)C)CC2)c1 ZINC000410373430 973970502 /nfs/dbraw/zinc/97/05/02/973970502.db2.gz QJYQYDOYHMBVOK-UHFFFAOYSA-N 2 1 408.590 3.863 20 0 HHADMP C[NH+](C)CC1(C(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)CCCCC1 ZINC000425953855 974059007 /nfs/dbraw/zinc/05/90/07/974059007.db2.gz LUODPGVBGLDIFF-UHFFFAOYSA-N 2 1 424.589 3.934 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C[C@H]1C ZINC000426142861 974262922 /nfs/dbraw/zinc/26/29/22/974262922.db2.gz WPDCFFGKZFDHLN-TZIWHRDSSA-N 2 1 402.583 3.888 20 0 HHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)CCc3ccc(OC)c(O)c3)cc2)CC1 ZINC000426418140 974439591 /nfs/dbraw/zinc/43/95/91/974439591.db2.gz DYBSYCFJNPZNKB-FQEVSTJZSA-N 2 1 411.590 3.649 20 0 HHADMP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000426770951 974648125 /nfs/dbraw/zinc/64/81/25/974648125.db2.gz XQNDDYXKTUIFRM-ACRUOGEOSA-N 2 1 401.595 3.842 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCC(=O)NCc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000426783858 974656624 /nfs/dbraw/zinc/65/66/24/974656624.db2.gz KSWNZXQMLLYEKM-KDURUIRLSA-N 2 1 422.013 3.558 20 0 HHADMP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC000426815399 974681112 /nfs/dbraw/zinc/68/11/12/974681112.db2.gz KQXPGSZFQUXVAE-HBMCJLEFSA-N 2 1 401.595 3.842 20 0 HHADMP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC000426815399 974681116 /nfs/dbraw/zinc/68/11/16/974681116.db2.gz KQXPGSZFQUXVAE-HBMCJLEFSA-N 2 1 401.595 3.842 20 0 HHADMP C[C@H](NC(=O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(Cl)cc1 ZINC000426826477 974691044 /nfs/dbraw/zinc/69/10/44/974691044.db2.gz OVAIBEVAQZKBIL-OTWHNJEPSA-N 2 1 422.013 3.729 20 0 HHADMP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426830672 974696016 /nfs/dbraw/zinc/69/60/16/974696016.db2.gz ZZGIDGCEUYLVLY-IXDOHACOSA-N 2 1 409.521 3.503 20 0 HHADMP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426830672 974696021 /nfs/dbraw/zinc/69/60/21/974696021.db2.gz ZZGIDGCEUYLVLY-IXDOHACOSA-N 2 1 409.521 3.503 20 0 HHADMP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@H](c3cccc(Cl)c3)[NH+](C)C)CC2)C[C@H](C)O1 ZINC000427321630 975051674 /nfs/dbraw/zinc/05/16/74/975051674.db2.gz QGIDLVHIPZUERZ-SVMVAKDDSA-N 2 1 422.013 3.681 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@H](c3cccc(Cl)c3)[NH+](C)C)CC2)C[C@H](C)O1 ZINC000427321630 975051682 /nfs/dbraw/zinc/05/16/82/975051682.db2.gz QGIDLVHIPZUERZ-SVMVAKDDSA-N 2 1 422.013 3.681 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000428648647 975950203 /nfs/dbraw/zinc/95/02/03/975950203.db2.gz DBMVBCUPXKYYCY-FYYLOGMGSA-N 2 1 400.611 3.851 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000428648651 975950274 /nfs/dbraw/zinc/95/02/74/975950274.db2.gz DBMVBCUPXKYYCY-GMAHTHKFSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1CSCC[NH+]1Cc1ccccc1 ZINC000428762539 976034466 /nfs/dbraw/zinc/03/44/66/976034466.db2.gz UGARCKKKXPGKIZ-IRLDBZIGSA-N 2 1 418.651 3.558 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1CSCC[NH+]1Cc1ccccc1 ZINC000428762539 976034477 /nfs/dbraw/zinc/03/44/77/976034477.db2.gz UGARCKKKXPGKIZ-IRLDBZIGSA-N 2 1 418.651 3.558 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000428762539 976034493 /nfs/dbraw/zinc/03/44/93/976034493.db2.gz UGARCKKKXPGKIZ-IRLDBZIGSA-N 2 1 418.651 3.558 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000428762539 976034506 /nfs/dbraw/zinc/03/45/06/976034506.db2.gz UGARCKKKXPGKIZ-IRLDBZIGSA-N 2 1 418.651 3.558 20 0 HHADMP CC(C)([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccccc1F ZINC000429236423 976527413 /nfs/dbraw/zinc/52/74/13/976527413.db2.gz MGLKXDNTNQIJBY-UHFFFAOYSA-N 2 1 401.551 3.838 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000429240922 976530955 /nfs/dbraw/zinc/53/09/55/976530955.db2.gz XTZBXCSGAAAGSL-FQEVSTJZSA-N 2 1 422.577 3.987 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000429240922 976530959 /nfs/dbraw/zinc/53/09/59/976530959.db2.gz XTZBXCSGAAAGSL-FQEVSTJZSA-N 2 1 422.577 3.987 20 0 HHADMP CSC[C@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000429293868 976573833 /nfs/dbraw/zinc/57/38/33/976573833.db2.gz MLRGKETVOBTBLJ-FXAWDEMLSA-N 2 1 410.027 3.668 20 0 HHADMP CSC[C@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000429293868 976573841 /nfs/dbraw/zinc/57/38/41/976573841.db2.gz MLRGKETVOBTBLJ-FXAWDEMLSA-N 2 1 410.027 3.668 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCCO2)cc1)C1CC1 ZINC000429331781 976596458 /nfs/dbraw/zinc/59/64/58/976596458.db2.gz OUEMTZQTWKEQCR-RUZDIDTESA-N 2 1 421.585 3.692 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1)C1CC1 ZINC000429331781 976596469 /nfs/dbraw/zinc/59/64/69/976596469.db2.gz OUEMTZQTWKEQCR-RUZDIDTESA-N 2 1 421.585 3.692 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1)C1CC1 ZINC000429331781 976596483 /nfs/dbraw/zinc/59/64/83/976596483.db2.gz OUEMTZQTWKEQCR-RUZDIDTESA-N 2 1 421.585 3.692 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000429486030 976746074 /nfs/dbraw/zinc/74/60/74/976746074.db2.gz BTLLVYXTRLNQAE-REWPJTCUSA-N 2 1 414.638 3.833 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000429486030 976746086 /nfs/dbraw/zinc/74/60/86/976746086.db2.gz BTLLVYXTRLNQAE-REWPJTCUSA-N 2 1 414.638 3.833 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000429486030 976746095 /nfs/dbraw/zinc/74/60/95/976746095.db2.gz BTLLVYXTRLNQAE-REWPJTCUSA-N 2 1 414.638 3.833 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)CC[N@H+]1C ZINC000429494177 976751919 /nfs/dbraw/zinc/75/19/19/976751919.db2.gz RAIZHAVNBXKPQW-QIJUGHKUSA-N 2 1 400.611 3.584 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)CC[NH+]1C ZINC000429494177 976751927 /nfs/dbraw/zinc/75/19/27/976751927.db2.gz RAIZHAVNBXKPQW-QIJUGHKUSA-N 2 1 400.611 3.584 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)CC[NH+]1C ZINC000429494177 976751934 /nfs/dbraw/zinc/75/19/34/976751934.db2.gz RAIZHAVNBXKPQW-QIJUGHKUSA-N 2 1 400.611 3.584 20 0 HHADMP C[NH+](C)CCC1CCN(C(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000429508316 976763873 /nfs/dbraw/zinc/76/38/73/976763873.db2.gz MXEZSQNWEBBJJD-QHCPKHFHSA-N 2 1 414.638 3.833 20 0 HHADMP C[C@H](C1CC1)n1cc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000429637058 976927269 /nfs/dbraw/zinc/92/72/69/976927269.db2.gz VKECDXUSHYNKBT-GOSISDBHSA-N 2 1 416.614 3.514 20 0 HHADMP C[C@H](NC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000430236856 977410657 /nfs/dbraw/zinc/41/06/57/977410657.db2.gz CDAVKIDFLBTXOL-NIRIFSCTSA-N 2 1 412.622 3.993 20 0 HHADMP C[C@H](NC(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000430236856 977410663 /nfs/dbraw/zinc/41/06/63/977410663.db2.gz CDAVKIDFLBTXOL-NIRIFSCTSA-N 2 1 412.622 3.993 20 0 HHADMP C[C@H](NC(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000430236856 977410677 /nfs/dbraw/zinc/41/06/77/977410677.db2.gz CDAVKIDFLBTXOL-NIRIFSCTSA-N 2 1 412.622 3.993 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1SCCc2sccc21 ZINC000430665243 977676608 /nfs/dbraw/zinc/67/66/08/977676608.db2.gz AHJIKHQYPNERDW-NRFANRHFSA-N 2 1 421.676 3.733 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCc1c[nH]c2ccccc12 ZINC000430674194 977684915 /nfs/dbraw/zinc/68/49/15/977684915.db2.gz IJAMQGUSVVFGOQ-UHFFFAOYSA-N 2 1 410.606 3.755 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(Br)cc1 ZINC000430675797 977686704 /nfs/dbraw/zinc/68/67/04/977686704.db2.gz NGKDJYDHBXJBHP-UHFFFAOYSA-N 2 1 422.411 3.717 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(OC2CCC2)cc1 ZINC000430687853 977696175 /nfs/dbraw/zinc/69/61/75/977696175.db2.gz SHKIVZSDURCVLL-UHFFFAOYSA-N 2 1 413.606 3.886 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CCSc2ccccc21 ZINC000430688726 977696971 /nfs/dbraw/zinc/69/69/71/977696971.db2.gz ZMZGYBNBHUHGDI-JOCHJYFZSA-N 2 1 415.647 3.921 20 0 HHADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)NC(=O)Nc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000430811646 977772093 /nfs/dbraw/zinc/77/20/93/977772093.db2.gz QXJNXIAXXZBDSF-UGKGYDQZSA-N 2 1 408.546 3.710 20 0 HHADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)NC(=O)Nc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000430811646 977772097 /nfs/dbraw/zinc/77/20/97/977772097.db2.gz QXJNXIAXXZBDSF-UGKGYDQZSA-N 2 1 408.546 3.710 20 0 HHADMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)NC(=O)Nc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000430811646 977772103 /nfs/dbraw/zinc/77/21/03/977772103.db2.gz QXJNXIAXXZBDSF-UGKGYDQZSA-N 2 1 408.546 3.710 20 0 HHADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)NC(=O)Nc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000430811646 977772106 /nfs/dbraw/zinc/77/21/06/977772106.db2.gz QXJNXIAXXZBDSF-UGKGYDQZSA-N 2 1 408.546 3.710 20 0 HHADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000430910881 977878014 /nfs/dbraw/zinc/87/80/14/977878014.db2.gz YWKPNUGQJSDEAR-NRFANRHFSA-N 2 1 414.638 3.759 20 0 HHADMP Cc1ccc(NC(=O)C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1Cl ZINC000430926989 977892237 /nfs/dbraw/zinc/89/22/37/977892237.db2.gz PWFRVRNCEYAYHY-UHFFFAOYSA-N 2 1 421.029 3.715 20 0 HHADMP C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430930706 977894512 /nfs/dbraw/zinc/89/45/12/977894512.db2.gz YDJHVHQYQXNOTI-LJQANCHMSA-N 2 1 411.594 3.926 20 0 HHADMP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430941042 977903686 /nfs/dbraw/zinc/90/36/86/977903686.db2.gz TWJWIXHSHBYKIR-SFHVURJKSA-N 2 1 411.594 3.525 20 0 HHADMP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430941042 977903690 /nfs/dbraw/zinc/90/36/90/977903690.db2.gz TWJWIXHSHBYKIR-SFHVURJKSA-N 2 1 411.594 3.525 20 0 HHADMP C[C@H](c1nc(-c2cccs2)no1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430950407 977909383 /nfs/dbraw/zinc/90/93/83/977909383.db2.gz HRRZKZOGLXTBSP-QGZVFWFLSA-N 2 1 417.623 3.987 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000430978963 977924888 /nfs/dbraw/zinc/92/48/88/977924888.db2.gz MIRSIKJZNCOZIC-HOJAQTOUSA-N 2 1 400.592 3.703 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000430995459 977940893 /nfs/dbraw/zinc/94/08/93/977940893.db2.gz FWSZWTZEBYQKBH-UHFFFAOYSA-N 2 1 408.590 3.950 20 0 HHADMP C[C@H]1C[C@H](NC(=O)Nc2cccc(OCC[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000431056864 977986196 /nfs/dbraw/zinc/98/61/96/977986196.db2.gz FPCDKRZROBBKJN-SIKLNZKXSA-N 2 1 410.562 3.802 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1cccc(OC(F)F)c1 ZINC000431065352 977995282 /nfs/dbraw/zinc/99/52/82/977995282.db2.gz IKZBMNDKPVJUCL-UHFFFAOYSA-N 2 1 424.536 3.948 20 0 HHADMP CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000431652759 978412498 /nfs/dbraw/zinc/41/24/98/978412498.db2.gz WMKMOOMHGOLHGN-XUZZJYLKSA-N 2 1 414.638 3.954 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000431675382 978428449 /nfs/dbraw/zinc/42/84/49/978428449.db2.gz IEJDTADNPOITAK-FGCOXFRFSA-N 2 1 408.590 3.512 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000431691681 978438712 /nfs/dbraw/zinc/43/87/12/978438712.db2.gz LRCVUEKGLXFFDU-SIKLNZKXSA-N 2 1 412.578 3.714 20 0 HHADMP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431746196 978478122 /nfs/dbraw/zinc/47/81/22/978478122.db2.gz UFZGTMFQFQIJIV-DEOSSOPVSA-N 2 1 412.622 3.502 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCc1ccc(Cl)s1 ZINC000431770709 978499632 /nfs/dbraw/zinc/49/96/32/978499632.db2.gz LVAQPMJOJZLUSO-UHFFFAOYSA-N 2 1 413.031 3.739 20 0 HHADMP Cc1nc(-c2cccnc2)nc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000431836178 978545037 /nfs/dbraw/zinc/54/50/37/978545037.db2.gz XOWNPTWPLZXOEF-UHFFFAOYSA-N 2 1 422.621 3.788 20 0 HHADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Br)c(Br)c2)CCCO1 ZINC000432347184 978770008 /nfs/dbraw/zinc/77/00/08/978770008.db2.gz OREISKGOHRIYDV-ZDUSSCGKSA-N 2 1 420.189 3.802 20 0 HHADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CCCO1 ZINC000432356607 978775503 /nfs/dbraw/zinc/77/55/03/978775503.db2.gz IOHOYWMCZDMVTK-FQEVSTJZSA-N 2 1 405.546 3.525 20 0 HHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000432426366 978807123 /nfs/dbraw/zinc/80/71/23/978807123.db2.gz ZNLPGRUHINFRFV-SBHAEUEKSA-N 2 1 408.558 3.925 20 0 HHADMP C[C@@H](SCC[N@@H+](C)Cc1ccccc1)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000433018168 979043428 /nfs/dbraw/zinc/04/34/28/979043428.db2.gz FNKPVVHRHMMOJJ-OFNKIYASSA-N 2 1 411.615 3.631 20 0 HHADMP C[C@@H](SCC[NH+](C)Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000433018168 979043431 /nfs/dbraw/zinc/04/34/31/979043431.db2.gz FNKPVVHRHMMOJJ-OFNKIYASSA-N 2 1 411.615 3.631 20 0 HHADMP C[C@@H](SCC[NH+](C)Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000433018168 979043435 /nfs/dbraw/zinc/04/34/35/979043435.db2.gz FNKPVVHRHMMOJJ-OFNKIYASSA-N 2 1 411.615 3.631 20 0 HHADMP CN(Cc1ccccc1F)C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433072880 979058400 /nfs/dbraw/zinc/05/84/00/979058400.db2.gz QKOUJSCLQPTNJQ-UHFFFAOYSA-N 2 1 409.549 3.772 20 0 HHADMP COc1ccccc1CN(C)C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433118097 979081809 /nfs/dbraw/zinc/08/18/09/979081809.db2.gz VYJWFUSTSGYGRT-UHFFFAOYSA-N 2 1 421.585 3.642 20 0 HHADMP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433172001 979116541 /nfs/dbraw/zinc/11/65/41/979116541.db2.gz CVBDTCNPWITEDC-OAQYLSRUSA-N 2 1 423.576 3.861 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000433386267 979268985 /nfs/dbraw/zinc/26/89/85/979268985.db2.gz HNRMAWTYLCTPAB-NNMXDRDESA-N 2 1 420.569 3.925 20 0 HHADMP COC(=O)COc1c(C)cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1C ZINC000435059033 980603723 /nfs/dbraw/zinc/60/37/23/980603723.db2.gz HFFACPWNXOSTHC-UHFFFAOYSA-N 2 1 411.546 3.768 20 0 HHADMP O=C(COc1ccccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)NCC1CC1 ZINC000435060496 980605450 /nfs/dbraw/zinc/60/54/50/980605450.db2.gz LQVFEXLSWZNLBX-UHFFFAOYSA-N 2 1 422.573 3.504 20 0 HHADMP Cc1cc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)n([C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000435092860 980633256 /nfs/dbraw/zinc/63/32/56/980633256.db2.gz ASYVPUXHCYVGED-UNMCSNQZSA-N 2 1 424.593 3.634 20 0 HHADMP Cc1cc(NC(=O)NCC[NH+]2CCCC[C@@H]2C)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435092860 980633259 /nfs/dbraw/zinc/63/32/59/980633259.db2.gz ASYVPUXHCYVGED-UNMCSNQZSA-N 2 1 424.593 3.634 20 0 HHADMP Cc1cc(NC(=O)NCC[NH+]2CCCC[C@@H]2C)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435092860 980633266 /nfs/dbraw/zinc/63/32/66/980633266.db2.gz ASYVPUXHCYVGED-UNMCSNQZSA-N 2 1 424.593 3.634 20 0 HHADMP Cc1cc(NC(=O)C[N@@H+](C)Cc2ccccc2)n([C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000435277717 980755369 /nfs/dbraw/zinc/75/53/69/980755369.db2.gz KDSUXCLNCCTZED-QHCPKHFHSA-N 2 1 417.557 3.709 20 0 HHADMP Cc1cc(NC(=O)C[N@H+](C)Cc2ccccc2)n([C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000435277717 980755375 /nfs/dbraw/zinc/75/53/75/980755375.db2.gz KDSUXCLNCCTZED-QHCPKHFHSA-N 2 1 417.557 3.709 20 0 HHADMP Cc1cc(NC(=O)C[NH+](C)Cc2ccccc2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435277717 980755379 /nfs/dbraw/zinc/75/53/79/980755379.db2.gz KDSUXCLNCCTZED-QHCPKHFHSA-N 2 1 417.557 3.709 20 0 HHADMP Cc1cc(NC(=O)C[NH+](C)Cc2ccccc2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435277717 980755384 /nfs/dbraw/zinc/75/53/84/980755384.db2.gz KDSUXCLNCCTZED-QHCPKHFHSA-N 2 1 417.557 3.709 20 0 HHADMP Cc1cc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435284961 980759801 /nfs/dbraw/zinc/75/98/01/980759801.db2.gz MKLURFYXYUEWQZ-IRLDBZIGSA-N 2 1 409.578 3.842 20 0 HHADMP Cc1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)n([C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000435521262 980917153 /nfs/dbraw/zinc/91/71/53/980917153.db2.gz GJKPJZOGXPMARF-CEMLEFRQSA-N 2 1 424.593 3.585 20 0 HHADMP CN(c1ccccc1)c1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000435787789 981031555 /nfs/dbraw/zinc/03/15/55/981031555.db2.gz ARPKZWPMIPPINP-VWLOTQADSA-N 2 1 402.542 3.576 20 0 HHADMP CN(c1ccccc1)c1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000435787789 981031560 /nfs/dbraw/zinc/03/15/60/981031560.db2.gz ARPKZWPMIPPINP-VWLOTQADSA-N 2 1 402.542 3.576 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CCN(C(=O)c3ccccc3O)CC2)cc1 ZINC000436824673 981577738 /nfs/dbraw/zinc/57/77/38/981577738.db2.gz AFUYHZHWYUFIAG-KRWDZBQOSA-N 2 1 404.514 3.842 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000448208246 981621530 /nfs/dbraw/zinc/62/15/30/981621530.db2.gz GDXOBFDAQTZPIW-MZYLBHOOSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000448208246 981621537 /nfs/dbraw/zinc/62/15/37/981621537.db2.gz GDXOBFDAQTZPIW-MZYLBHOOSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000448208246 981621539 /nfs/dbraw/zinc/62/15/39/981621539.db2.gz GDXOBFDAQTZPIW-MZYLBHOOSA-N 2 1 400.611 3.564 20 0 HHADMP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC(Cc4[nH+]ccn4C)CC3)cc2)C1 ZINC000448217552 981631607 /nfs/dbraw/zinc/63/16/07/981631607.db2.gz NGHGYVYSBOYXHS-HXUWFJFHSA-N 2 1 423.605 3.816 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC(Cc4[nH+]ccn4C)CC3)cc2)C1 ZINC000448217552 981631613 /nfs/dbraw/zinc/63/16/13/981631613.db2.gz NGHGYVYSBOYXHS-HXUWFJFHSA-N 2 1 423.605 3.816 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000437037247 981707469 /nfs/dbraw/zinc/70/74/69/981707469.db2.gz MCWWBHBSEYZGDU-QHCPKHFHSA-N 2 1 423.626 3.830 20 0 HHADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448410872 981762940 /nfs/dbraw/zinc/76/29/40/981762940.db2.gz QODYRXIYBAKHNU-UGKGYDQZSA-N 2 1 414.619 3.716 20 0 HHADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448410872 981762946 /nfs/dbraw/zinc/76/29/46/981762946.db2.gz QODYRXIYBAKHNU-UGKGYDQZSA-N 2 1 414.619 3.716 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000448463332 981796241 /nfs/dbraw/zinc/79/62/41/981796241.db2.gz ARKKLMMSFHHDJF-DZFGPLHGSA-N 2 1 407.002 3.849 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000448468207 981805926 /nfs/dbraw/zinc/80/59/26/981805926.db2.gz UQFIZKOPMBOCRY-SFHLNBCPSA-N 2 1 406.640 3.798 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000448468207 981805939 /nfs/dbraw/zinc/80/59/39/981805939.db2.gz UQFIZKOPMBOCRY-SFHLNBCPSA-N 2 1 406.640 3.798 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000448468207 981805964 /nfs/dbraw/zinc/80/59/64/981805964.db2.gz UQFIZKOPMBOCRY-SFHLNBCPSA-N 2 1 406.640 3.798 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)C1 ZINC000448472321 981812946 /nfs/dbraw/zinc/81/29/46/981812946.db2.gz HPDJXXLUOZVRRP-XMMPIXPASA-N 2 1 414.638 3.908 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000448472321 981812954 /nfs/dbraw/zinc/81/29/54/981812954.db2.gz HPDJXXLUOZVRRP-XMMPIXPASA-N 2 1 414.638 3.908 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000448472321 981812967 /nfs/dbraw/zinc/81/29/67/981812967.db2.gz HPDJXXLUOZVRRP-XMMPIXPASA-N 2 1 414.638 3.908 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)[C@@H]1c1cccs1 ZINC000448519681 981846365 /nfs/dbraw/zinc/84/63/65/981846365.db2.gz FHYAJUZIZGWOMQ-RMEPHLEKSA-N 2 1 416.635 3.789 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)[C@@H]1c1cccs1 ZINC000448519681 981846370 /nfs/dbraw/zinc/84/63/70/981846370.db2.gz FHYAJUZIZGWOMQ-RMEPHLEKSA-N 2 1 416.635 3.789 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)[C@@H]1c1cccs1 ZINC000448519681 981846376 /nfs/dbraw/zinc/84/63/76/981846376.db2.gz FHYAJUZIZGWOMQ-RMEPHLEKSA-N 2 1 416.635 3.789 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000448519928 981848056 /nfs/dbraw/zinc/84/80/56/981848056.db2.gz GRHRPPPGXFAHBV-BAIOZVBTSA-N 2 1 424.633 3.801 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448519928 981848061 /nfs/dbraw/zinc/84/80/61/981848061.db2.gz GRHRPPPGXFAHBV-BAIOZVBTSA-N 2 1 424.633 3.801 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448519928 981848064 /nfs/dbraw/zinc/84/80/64/981848064.db2.gz GRHRPPPGXFAHBV-BAIOZVBTSA-N 2 1 424.633 3.801 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCCC2)[C@H](C)C1 ZINC000448523546 981851841 /nfs/dbraw/zinc/85/18/41/981851841.db2.gz YYQAJGSROMINFS-OFNKIYASSA-N 2 1 400.611 3.934 20 0 HHADMP O=C(NCCCCC[NH+]1CCCCC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460319292 982097359 /nfs/dbraw/zinc/09/73/59/982097359.db2.gz NRWAHSAMDZCSLW-RPWUZVMVSA-N 2 1 412.622 3.806 20 0 HHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000437916386 982461438 /nfs/dbraw/zinc/46/14/38/982461438.db2.gz DJTKJRBZPKOOKY-WOJBJXKFSA-N 2 1 411.594 3.901 20 0 HHADMP C[C@H](C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000438090121 982582366 /nfs/dbraw/zinc/58/23/66/982582366.db2.gz AOZSYAQGOFJBKM-HXUWFJFHSA-N 2 1 411.565 3.889 20 0 HHADMP CCOC(=O)Cn1nc(C)c(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1C ZINC000438117576 982596416 /nfs/dbraw/zinc/59/64/16/982596416.db2.gz OXAQTYOXVJBGME-GOSISDBHSA-N 2 1 404.599 3.540 20 0 HHADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000438185808 982638984 /nfs/dbraw/zinc/63/89/84/982638984.db2.gz FEUIVFPTYBCZJR-GVUKDKGQSA-N 2 1 405.586 3.984 20 0 HHADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000461260175 982965923 /nfs/dbraw/zinc/96/59/23/982965923.db2.gz CBMJYQZBEBHCPV-CTNGQTDRSA-N 2 1 411.512 3.774 20 0 HHADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000461260175 982965925 /nfs/dbraw/zinc/96/59/25/982965925.db2.gz CBMJYQZBEBHCPV-CTNGQTDRSA-N 2 1 411.512 3.774 20 0 HHADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000461260175 982965932 /nfs/dbraw/zinc/96/59/32/982965932.db2.gz CBMJYQZBEBHCPV-CTNGQTDRSA-N 2 1 411.512 3.774 20 0 HHADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2ccccc2Oc2ccc(F)cc2Cl)C1 ZINC000461413816 983078763 /nfs/dbraw/zinc/07/87/63/983078763.db2.gz FTVCQKIXQMFWRG-QGZVFWFLSA-N 2 1 419.928 3.948 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2ccccc2Oc2ccc(F)cc2Cl)C1 ZINC000461413816 983078773 /nfs/dbraw/zinc/07/87/73/983078773.db2.gz FTVCQKIXQMFWRG-QGZVFWFLSA-N 2 1 419.928 3.948 20 0 HHADMP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461439679 983103849 /nfs/dbraw/zinc/10/38/49/983103849.db2.gz TYWUIIKMPWAKHV-GOTSBHOMSA-N 2 1 412.537 3.841 20 0 HHADMP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461439678 983103993 /nfs/dbraw/zinc/10/39/93/983103993.db2.gz TYWUIIKMPWAKHV-DHIUTWEWSA-N 2 1 412.537 3.841 20 0 HHADMP CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N1C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C1)C2 ZINC000461453999 983119634 /nfs/dbraw/zinc/11/96/34/983119634.db2.gz HDEYQIOMOIWOKR-NJDAHSKKSA-N 2 1 406.574 3.619 20 0 HHADMP CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N1C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C1)C2 ZINC000461453999 983119638 /nfs/dbraw/zinc/11/96/38/983119638.db2.gz HDEYQIOMOIWOKR-NJDAHSKKSA-N 2 1 406.574 3.619 20 0 HHADMP Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000438928238 983158773 /nfs/dbraw/zinc/15/87/73/983158773.db2.gz FMIKHVSPCXNRPW-NHCUHLMSSA-N 2 1 403.636 3.815 20 0 HHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000439083215 983242319 /nfs/dbraw/zinc/24/23/19/983242319.db2.gz GGNSQLMRSNNIFV-NTKDMRAZSA-N 2 1 424.589 3.683 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000439196611 983304847 /nfs/dbraw/zinc/30/48/47/983304847.db2.gz HAGXHEBADXFTSM-OAQYLSRUSA-N 2 1 421.589 3.525 20 0 HHADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000440175743 983670351 /nfs/dbraw/zinc/67/03/51/983670351.db2.gz QDAWELMAPCIALX-QHCPKHFHSA-N 2 1 400.611 3.803 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000441249380 984137582 /nfs/dbraw/zinc/13/75/82/984137582.db2.gz YKXCWRHJEARMQR-JLSDUUJJSA-N 2 1 400.350 3.506 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)N2CCC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C[N@H+]1C1CC1 ZINC000441375856 984217501 /nfs/dbraw/zinc/21/75/01/984217501.db2.gz JICWVWKHVMSXFU-QFBILLFUSA-N 2 1 424.511 3.548 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)C[NH+]1C1CC1 ZINC000441375856 984217505 /nfs/dbraw/zinc/21/75/05/984217505.db2.gz JICWVWKHVMSXFU-QFBILLFUSA-N 2 1 424.511 3.548 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)C[NH+]1C1CC1 ZINC000441375856 984217517 /nfs/dbraw/zinc/21/75/17/984217517.db2.gz JICWVWKHVMSXFU-QFBILLFUSA-N 2 1 424.511 3.548 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N2CCC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C[N@H+]1C1CC1 ZINC000441375851 984217571 /nfs/dbraw/zinc/21/75/71/984217571.db2.gz JICWVWKHVMSXFU-APWZRJJASA-N 2 1 424.511 3.548 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)C[NH+]1C1CC1 ZINC000441375851 984217572 /nfs/dbraw/zinc/21/75/72/984217572.db2.gz JICWVWKHVMSXFU-APWZRJJASA-N 2 1 424.511 3.548 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)C[NH+]1C1CC1 ZINC000441375851 984217581 /nfs/dbraw/zinc/21/75/81/984217581.db2.gz JICWVWKHVMSXFU-APWZRJJASA-N 2 1 424.511 3.548 20 0 HHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000461713633 984729632 /nfs/dbraw/zinc/72/96/32/984729632.db2.gz DWUGMNSNMRYJBP-OAQYLSRUSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3cc(C[NH+]4CCCC4)on3)cc2)C1 ZINC000461910809 984926203 /nfs/dbraw/zinc/92/62/03/984926203.db2.gz PGPSJINJCDKMIF-RTBURBONSA-N 2 1 410.562 3.678 20 0 HHADMP CSc1ccccc1[C@@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000442722636 985185480 /nfs/dbraw/zinc/18/54/80/985185480.db2.gz XVBLEGODOICYPR-GOSISDBHSA-N 2 1 413.587 3.920 20 0 HHADMP C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442874708 985254865 /nfs/dbraw/zinc/25/48/65/985254865.db2.gz NNUXQVOIJSBYLZ-KBXCAEBGSA-N 2 1 412.441 3.848 20 0 HHADMP CCC[N@H+](C)[C@H](CNC(=O)c1cc(C[NH+]2CCCC2)on1)c1ccc(Cl)cc1 ZINC000462445270 985410612 /nfs/dbraw/zinc/41/06/12/985410612.db2.gz BZNSAKWQFDCTNK-HXUWFJFHSA-N 2 1 404.942 3.737 20 0 HHADMP CCC[N@@H+](C)[C@H](CNC(=O)c1cc(C[NH+]2CCCC2)on1)c1ccc(Cl)cc1 ZINC000462445270 985410620 /nfs/dbraw/zinc/41/06/20/985410620.db2.gz BZNSAKWQFDCTNK-HXUWFJFHSA-N 2 1 404.942 3.737 20 0 HHADMP CC[NH+](CC)CCOc1ccc(-c2noc(C[NH+]3CCC(C)CC3)n2)cc1OC ZINC000443207101 985442812 /nfs/dbraw/zinc/44/28/12/985442812.db2.gz YOBSCYBXYBMEIO-UHFFFAOYSA-N 2 1 402.539 3.698 20 0 HHADMP C[C@@H](NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)C(C)(C)C[NH+](C)C ZINC000443232706 985455124 /nfs/dbraw/zinc/45/51/24/985455124.db2.gz WUOROMSKWBZWTP-GOSISDBHSA-N 2 1 400.567 3.687 20 0 HHADMP C[C@@H](NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)C(C)(C)C[NH+](C)C ZINC000443232706 985455131 /nfs/dbraw/zinc/45/51/31/985455131.db2.gz WUOROMSKWBZWTP-GOSISDBHSA-N 2 1 400.567 3.687 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000462687608 985627462 /nfs/dbraw/zinc/62/74/62/985627462.db2.gz SDJGLGSSJNUORS-RDPSFJRHSA-N 2 1 406.574 3.602 20 0 HHADMP C[NH+](C)CCN(C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)C1CCCC1 ZINC000467999826 985648510 /nfs/dbraw/zinc/64/85/10/985648510.db2.gz HAVHQEXEDIUFPF-UHFFFAOYSA-N 2 1 412.578 3.927 20 0 HHADMP C[NH+](C)CCN(C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)C1CCCC1 ZINC000467999826 985648516 /nfs/dbraw/zinc/64/85/16/985648516.db2.gz HAVHQEXEDIUFPF-UHFFFAOYSA-N 2 1 412.578 3.927 20 0 HHADMP CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000462736456 985680874 /nfs/dbraw/zinc/68/08/74/985680874.db2.gz DYYDCWUAOMDMKU-JOCHJYFZSA-N 2 1 400.611 3.805 20 0 HHADMP CC1CC[NH+](CCC[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2ccc(F)cc2)CC1 ZINC000468074295 985732134 /nfs/dbraw/zinc/73/21/34/985732134.db2.gz QBTVNSHNTKXVSR-VWLOTQADSA-N 3 1 418.645 3.996 20 0 HHADMP COc1ccc(OC)c(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000443598549 985775854 /nfs/dbraw/zinc/77/58/54/985775854.db2.gz FKNPFEFNQVACMS-SFHVURJKSA-N 2 1 403.567 3.619 20 0 HHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC000443638769 985824098 /nfs/dbraw/zinc/82/40/98/985824098.db2.gz MLCRMHCBQBTYTJ-QMMLZNLJSA-N 2 1 407.002 3.676 20 0 HHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC000443638769 985824114 /nfs/dbraw/zinc/82/41/14/985824114.db2.gz MLCRMHCBQBTYTJ-QMMLZNLJSA-N 2 1 407.002 3.676 20 0 HHADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000443638769 985824128 /nfs/dbraw/zinc/82/41/28/985824128.db2.gz MLCRMHCBQBTYTJ-QMMLZNLJSA-N 2 1 407.002 3.676 20 0 HHADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000443638769 985824138 /nfs/dbraw/zinc/82/41/38/985824138.db2.gz MLCRMHCBQBTYTJ-QMMLZNLJSA-N 2 1 407.002 3.676 20 0 HHADMP C[N@@H+](CCNC(=O)C1CCN(c2cc[nH+]c3ccccc32)CC1)Cc1ccccc1 ZINC000462914708 985846493 /nfs/dbraw/zinc/84/64/93/985846493.db2.gz UXBOOYUPQWGTTJ-UHFFFAOYSA-N 2 1 402.542 3.699 20 0 HHADMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)ccc1OCCO ZINC000463077517 986035318 /nfs/dbraw/zinc/03/53/18/986035318.db2.gz JFTFMZBYOMMBQR-GOSISDBHSA-N 2 1 416.537 3.563 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463133615 986100448 /nfs/dbraw/zinc/10/04/48/986100448.db2.gz USTMDCSCQUSHPS-ZPZUNKDASA-N 2 1 411.565 3.842 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000463133615 986100459 /nfs/dbraw/zinc/10/04/59/986100459.db2.gz USTMDCSCQUSHPS-ZPZUNKDASA-N 2 1 411.565 3.842 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463142299 986111286 /nfs/dbraw/zinc/11/12/86/986111286.db2.gz PUHLOLUJQDJAKF-BWKNWUBXSA-N 2 1 420.601 3.732 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463142299 986111289 /nfs/dbraw/zinc/11/12/89/986111289.db2.gz PUHLOLUJQDJAKF-BWKNWUBXSA-N 2 1 420.601 3.732 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3c3ccc(F)cc3)c2)C1 ZINC000468430608 986128927 /nfs/dbraw/zinc/12/89/27/986128927.db2.gz RWIIGBZTVXVORJ-GMKZXUHWSA-N 2 1 409.549 3.949 20 0 HHADMP COc1cc(CN2CC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)cc(OC)c1 ZINC000463202802 986174867 /nfs/dbraw/zinc/17/48/67/986174867.db2.gz BQSQYWZBALCSJC-QDSKXPNFSA-N 2 1 423.601 3.921 20 0 HHADMP COc1cc(CN2CC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)cc(OC)c1 ZINC000463202802 986174873 /nfs/dbraw/zinc/17/48/73/986174873.db2.gz BQSQYWZBALCSJC-QDSKXPNFSA-N 2 1 423.601 3.921 20 0 HHADMP OC[C@]1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C[C@@H]1c1ccc(F)cc1 ZINC000463234885 986202603 /nfs/dbraw/zinc/20/26/03/986202603.db2.gz BMHFVZMDSFTDGY-DNQXCXABSA-N 2 1 400.513 3.728 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000468511528 986212880 /nfs/dbraw/zinc/21/28/80/986212880.db2.gz NAQMBFXJSKYFFO-NOZRDPDXSA-N 2 1 421.585 3.848 20 0 HHADMP OC[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)Cc1ccc(F)c(F)c1 ZINC000463246265 986214689 /nfs/dbraw/zinc/21/46/89/986214689.db2.gz VNLKYUUYCROKGX-IBGZPJMESA-N 2 1 406.492 3.552 20 0 HHADMP Cc1cc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)on1 ZINC000463276404 986242681 /nfs/dbraw/zinc/24/26/81/986242681.db2.gz YQIDCRPZXSDBQA-UVUJQTEASA-N 2 1 400.542 3.538 20 0 HHADMP Cc1cc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)on1 ZINC000463276404 986242689 /nfs/dbraw/zinc/24/26/89/986242689.db2.gz YQIDCRPZXSDBQA-UVUJQTEASA-N 2 1 400.542 3.538 20 0 HHADMP C[C@@H]1CCc2c(sc3nc(CC[N@H+](C)CC[C@H]4CCCC[NH+]4C)nc(N)c23)C1 ZINC000444169449 986345926 /nfs/dbraw/zinc/34/59/26/986345926.db2.gz KFJJWEMLTNROPC-HZPDHXFCSA-N 2 1 401.624 3.747 20 0 HHADMP C[C@@H]1CCc2c(sc3nc(CC[N@@H+](C)CC[C@H]4CCCC[NH+]4C)nc(N)c23)C1 ZINC000444169449 986345935 /nfs/dbraw/zinc/34/59/35/986345935.db2.gz KFJJWEMLTNROPC-HZPDHXFCSA-N 2 1 401.624 3.747 20 0 HHADMP C[C@@H]1CCc2c(sc3nc(CC[NH+](C)CC[C@H]4CCCC[N@@H+]4C)nc(N)c23)C1 ZINC000444169449 986345945 /nfs/dbraw/zinc/34/59/45/986345945.db2.gz KFJJWEMLTNROPC-HZPDHXFCSA-N 2 1 401.624 3.747 20 0 HHADMP C[C@@H]1CCc2c(sc3nc(CC[NH+](C)CC[C@H]4CCCC[N@H+]4C)nc(N)c23)C1 ZINC000444169449 986345959 /nfs/dbraw/zinc/34/59/59/986345959.db2.gz KFJJWEMLTNROPC-HZPDHXFCSA-N 2 1 401.624 3.747 20 0 HHADMP CC[C@@H]1CCCC[C@H]1OCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000463567039 986544177 /nfs/dbraw/zinc/54/41/77/986544177.db2.gz DNJIRFAWRFWPKA-FYYLOGMGSA-N 2 1 407.643 3.627 20 0 HHADMP Cc1cc(Cl)ccc1C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000463740960 986729054 /nfs/dbraw/zinc/72/90/54/986729054.db2.gz HHSFGVOMCZDDKT-UHFFFAOYSA-N 2 1 401.938 3.599 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCc2ccccc2OCC[NH+](C)C)cc1 ZINC000444581760 986769379 /nfs/dbraw/zinc/76/93/79/986769379.db2.gz HWLCGTTWARLCLB-GOSISDBHSA-N 2 1 421.545 3.682 20 0 HHADMP COC(=O)c1ccc2[nH]cc(C(=O)C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)c2c1 ZINC000444604613 986792754 /nfs/dbraw/zinc/79/27/54/986792754.db2.gz BKGVMNCLFWYWLV-UHFFFAOYSA-N 2 1 411.546 3.725 20 0 HHADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3nc(-c4ccccc4F)no3)CC2)C[C@H](C)O1 ZINC000444619441 986804789 /nfs/dbraw/zinc/80/47/89/986804789.db2.gz JTUFDPCFIJCKFO-IRXDYDNUSA-N 2 1 402.514 3.587 20 0 HHADMP CC[N@H+]1CC[C@H]([NH2+]CCSCCOc2cccc(Br)c2)[C@H](C)C1 ZINC000469309744 987022085 /nfs/dbraw/zinc/02/20/85/987022085.db2.gz ZLOVZUOFURIAGC-QAPCUYQASA-N 2 1 401.414 3.881 20 0 HHADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000469331224 987039700 /nfs/dbraw/zinc/03/97/00/987039700.db2.gz LCHBTVBYDHMNRV-UHFFFAOYSA-N 2 1 423.483 3.806 20 0 HHADMP C[NH+](C)CCCOc1cccc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)c1 ZINC000469412027 987103483 /nfs/dbraw/zinc/10/34/83/987103483.db2.gz MYPCMPQUHAMPMO-UHFFFAOYSA-N 2 1 415.444 3.788 20 0 HHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000469425936 987114025 /nfs/dbraw/zinc/11/40/25/987114025.db2.gz IBWVYYQFANHGRT-PKTZIBPZSA-N 2 1 400.611 3.516 20 0 HHADMP C[C@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000469744039 987394523 /nfs/dbraw/zinc/39/45/23/987394523.db2.gz ISLSLVDEFKAUGF-GJZGRUSLSA-N 2 1 403.477 3.588 20 0 HHADMP C[C@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000469744039 987394532 /nfs/dbraw/zinc/39/45/32/987394532.db2.gz ISLSLVDEFKAUGF-GJZGRUSLSA-N 2 1 403.477 3.588 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000469759303 987412632 /nfs/dbraw/zinc/41/26/32/987412632.db2.gz XZOSCLLMCVECPY-LMMKCTJWSA-N 2 1 411.512 3.534 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)[C@@H](C)C1 ZINC000469784928 987430829 /nfs/dbraw/zinc/43/08/29/987430829.db2.gz DNHNWZJIJYOGLL-ZGXWSNOMSA-N 2 1 407.624 3.527 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)[C@@H](C)C1 ZINC000469784928 987430830 /nfs/dbraw/zinc/43/08/30/987430830.db2.gz DNHNWZJIJYOGLL-ZGXWSNOMSA-N 2 1 407.624 3.527 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000469791171 987435832 /nfs/dbraw/zinc/43/58/32/987435832.db2.gz PXLDWBSYZWCYJB-OPYAIIAOSA-N 2 1 410.002 3.586 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000469791171 987435837 /nfs/dbraw/zinc/43/58/37/987435837.db2.gz PXLDWBSYZWCYJB-OPYAIIAOSA-N 2 1 410.002 3.586 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2cc(F)cc(Br)c2)[C@H](C)C1 ZINC000469794039 987437690 /nfs/dbraw/zinc/43/76/90/987437690.db2.gz LQUJZDXSVNEFCC-DNVCBOLYSA-N 2 1 417.363 3.694 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000470189804 988107559 /nfs/dbraw/zinc/10/75/59/988107559.db2.gz YYJRYHDKKDOQEV-IEBWSBKVSA-N 2 1 412.500 3.624 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)c1)C1CCOCC1 ZINC000464062955 988185429 /nfs/dbraw/zinc/18/54/29/988185429.db2.gz SKSKFGZXKVALQL-DNVJHFABSA-N 2 1 416.606 3.861 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000470497644 988490923 /nfs/dbraw/zinc/49/09/23/988490923.db2.gz QPCUCFIMCKMIIO-YKSBVNFPSA-N 2 1 423.605 3.867 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000464548603 988726281 /nfs/dbraw/zinc/72/62/81/988726281.db2.gz KVAHSBDFLLUOMW-PZJWPPBQSA-N 2 1 411.512 3.631 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000464548603 988726286 /nfs/dbraw/zinc/72/62/86/988726286.db2.gz KVAHSBDFLLUOMW-PZJWPPBQSA-N 2 1 411.512 3.631 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000464548603 988726290 /nfs/dbraw/zinc/72/62/90/988726290.db2.gz KVAHSBDFLLUOMW-PZJWPPBQSA-N 2 1 411.512 3.631 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000470751257 988792849 /nfs/dbraw/zinc/79/28/49/988792849.db2.gz IWRWDLMRKGFVGG-GGAORHGYSA-N 2 1 424.589 3.604 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000470751257 988792860 /nfs/dbraw/zinc/79/28/60/988792860.db2.gz IWRWDLMRKGFVGG-GGAORHGYSA-N 2 1 424.589 3.604 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470882660 988953269 /nfs/dbraw/zinc/95/32/69/988953269.db2.gz FNONALGISOXVDO-NRFANRHFSA-N 2 1 424.589 3.785 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470882660 988953275 /nfs/dbraw/zinc/95/32/75/988953275.db2.gz FNONALGISOXVDO-NRFANRHFSA-N 2 1 424.589 3.785 20 0 HHADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C1 ZINC000470882660 988953283 /nfs/dbraw/zinc/95/32/83/988953283.db2.gz FNONALGISOXVDO-NRFANRHFSA-N 2 1 424.589 3.785 20 0 HHADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000470882660 988953289 /nfs/dbraw/zinc/95/32/89/988953289.db2.gz FNONALGISOXVDO-NRFANRHFSA-N 2 1 424.589 3.785 20 0 HHADMP C[C@H](CNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000470900627 988975313 /nfs/dbraw/zinc/97/53/13/988975313.db2.gz QUOPFMZWXSBENT-ZJSXRUAMSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@H](CNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000470900627 988975317 /nfs/dbraw/zinc/97/53/17/988975317.db2.gz QUOPFMZWXSBENT-ZJSXRUAMSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@H](CNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000470900627 988975332 /nfs/dbraw/zinc/97/53/32/988975332.db2.gz QUOPFMZWXSBENT-ZJSXRUAMSA-N 2 1 408.590 3.813 20 0 HHADMP Cc1nc(C(C)(C)[NH2+]CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)sc1C ZINC000464803384 989032823 /nfs/dbraw/zinc/03/28/23/989032823.db2.gz XSZIQOSHOGJETA-UHFFFAOYSA-N 2 1 414.619 3.674 20 0 HHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000470982068 989046652 /nfs/dbraw/zinc/04/66/52/989046652.db2.gz JNHYMYRKAMUUDV-OAHLLOKOSA-N 2 1 412.347 3.581 20 0 HHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000470982068 989046664 /nfs/dbraw/zinc/04/66/64/989046664.db2.gz JNHYMYRKAMUUDV-OAHLLOKOSA-N 2 1 412.347 3.581 20 0 HHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000470982068 989046675 /nfs/dbraw/zinc/04/66/75/989046675.db2.gz JNHYMYRKAMUUDV-OAHLLOKOSA-N 2 1 412.347 3.581 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)C1 ZINC000464819409 989056866 /nfs/dbraw/zinc/05/68/66/989056866.db2.gz AZJGWQBUFJZTQE-SFTDATJTSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000464819409 989056876 /nfs/dbraw/zinc/05/68/76/989056876.db2.gz AZJGWQBUFJZTQE-SFTDATJTSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000464819409 989056885 /nfs/dbraw/zinc/05/68/85/989056885.db2.gz AZJGWQBUFJZTQE-SFTDATJTSA-N 2 1 400.611 3.838 20 0 HHADMP C/C=C/c1ccc(OC[C@@H](O)C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(OC)c1 ZINC000470993722 989059707 /nfs/dbraw/zinc/05/97/07/989059707.db2.gz LJLKDXQNDNRYJY-ZHOZDRNWSA-N 2 1 422.569 3.532 20 0 HHADMP C/C=C/c1ccc(OC[C@@H](O)C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(OC)c1 ZINC000470993722 989059714 /nfs/dbraw/zinc/05/97/14/989059714.db2.gz LJLKDXQNDNRYJY-ZHOZDRNWSA-N 2 1 422.569 3.532 20 0 HHADMP C/C=C/c1ccc(OC[C@@H](O)C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(OC)c1 ZINC000470993722 989059718 /nfs/dbraw/zinc/05/97/18/989059718.db2.gz LJLKDXQNDNRYJY-ZHOZDRNWSA-N 2 1 422.569 3.532 20 0 HHADMP C/C=C/c1ccc(OC[C@@H](O)C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c(OC)c1 ZINC000470993722 989059727 /nfs/dbraw/zinc/05/97/27/989059727.db2.gz LJLKDXQNDNRYJY-ZHOZDRNWSA-N 2 1 422.569 3.532 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C(C)C)c(C)c2)CC1 ZINC000465056127 989380822 /nfs/dbraw/zinc/38/08/22/989380822.db2.gz FQSUPAFXLIEURF-IRLDBZIGSA-N 2 1 413.610 3.616 20 0 HHADMP COc1ccc([C@H](CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)[NH+]2CCCCC2)cc1 ZINC000465414478 989761433 /nfs/dbraw/zinc/76/14/33/989761433.db2.gz UAAXPWBGJFOSFQ-GGAORHGYSA-N 2 1 416.610 3.738 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000465425854 989769859 /nfs/dbraw/zinc/76/98/59/989769859.db2.gz BZODTCGPBKYXDR-VQIMIIECSA-N 2 1 414.516 3.824 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccccc1 ZINC000465459410 989799854 /nfs/dbraw/zinc/79/98/54/989799854.db2.gz UKHKTGQGEMODAN-QKNQBKEWSA-N 2 1 400.592 3.733 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000471601324 989805302 /nfs/dbraw/zinc/80/53/02/989805302.db2.gz ILCSXOJUXBVGFF-IRLDBZIGSA-N 2 1 414.619 3.952 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000471612269 989816671 /nfs/dbraw/zinc/81/66/71/989816671.db2.gz MTPLPPSEEHAOJF-QFIPXVFZSA-N 2 1 408.590 3.848 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471612269 989816688 /nfs/dbraw/zinc/81/66/88/989816688.db2.gz MTPLPPSEEHAOJF-QFIPXVFZSA-N 2 1 408.590 3.848 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471612269 989816695 /nfs/dbraw/zinc/81/66/95/989816695.db2.gz MTPLPPSEEHAOJF-QFIPXVFZSA-N 2 1 408.590 3.848 20 0 HHADMP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000471617361 989822042 /nfs/dbraw/zinc/82/20/42/989822042.db2.gz GBRZTVMWLIYQQM-HIGZBPRKSA-N 2 1 412.622 3.518 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000465535291 989898066 /nfs/dbraw/zinc/89/80/66/989898066.db2.gz AKSOEXCWGRUFFJ-RCLSDMTESA-N 2 1 406.640 3.798 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000465535291 989898071 /nfs/dbraw/zinc/89/80/71/989898071.db2.gz AKSOEXCWGRUFFJ-RCLSDMTESA-N 2 1 406.640 3.798 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000465535291 989898078 /nfs/dbraw/zinc/89/80/78/989898078.db2.gz AKSOEXCWGRUFFJ-RCLSDMTESA-N 2 1 406.640 3.798 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N(C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000465536988 989900267 /nfs/dbraw/zinc/90/02/67/989900267.db2.gz FXQBONJHFUPACK-AWWSKVOZSA-N 2 1 400.611 3.789 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000465536988 989900277 /nfs/dbraw/zinc/90/02/77/989900277.db2.gz FXQBONJHFUPACK-AWWSKVOZSA-N 2 1 400.611 3.789 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000465536988 989900300 /nfs/dbraw/zinc/90/03/00/989900300.db2.gz FXQBONJHFUPACK-AWWSKVOZSA-N 2 1 400.611 3.789 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCC[C@H](C)C2)C1 ZINC000465558319 989923049 /nfs/dbraw/zinc/92/30/49/989923049.db2.gz OPQYAIVNLCCZQU-LEWJYISDSA-N 2 1 400.611 3.792 20 0 HHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000465558319 989923055 /nfs/dbraw/zinc/92/30/55/989923055.db2.gz OPQYAIVNLCCZQU-LEWJYISDSA-N 2 1 400.611 3.792 20 0 HHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)C1 ZINC000465558319 989923064 /nfs/dbraw/zinc/92/30/64/989923064.db2.gz OPQYAIVNLCCZQU-LEWJYISDSA-N 2 1 400.611 3.792 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000465611559 989997062 /nfs/dbraw/zinc/99/70/62/989997062.db2.gz VPLDRZOSUHFDOU-VXKWHMMOSA-N 2 1 400.611 3.947 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000465611559 989997073 /nfs/dbraw/zinc/99/70/73/989997073.db2.gz VPLDRZOSUHFDOU-VXKWHMMOSA-N 2 1 400.611 3.947 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000465611559 989997082 /nfs/dbraw/zinc/99/70/82/989997082.db2.gz VPLDRZOSUHFDOU-VXKWHMMOSA-N 2 1 400.611 3.947 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000465678639 990063933 /nfs/dbraw/zinc/06/39/33/990063933.db2.gz CHQVVULRQZMIOH-OFNKIYASSA-N 2 1 412.553 3.592 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(F)cc1 ZINC000465696988 990083036 /nfs/dbraw/zinc/08/30/36/990083036.db2.gz UGINMDCKIVNZCT-QFUCXCTJSA-N 2 1 418.582 3.872 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000465720268 990105710 /nfs/dbraw/zinc/10/57/10/990105710.db2.gz OECVPQHJARCGGS-FYYLOGMGSA-N 2 1 400.611 3.833 20 0 HHADMP COc1cccc([C@@H]2[C@H](NC(=O)Nc3ccccc3CC[NH+](C)C)CC[N@H+]2C2CC2)c1 ZINC000471962626 990127824 /nfs/dbraw/zinc/12/78/24/990127824.db2.gz FLICYGLEHYLMIJ-DNQXCXABSA-N 2 1 422.573 3.899 20 0 HHADMP C[C@H](CCNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000472009284 990177404 /nfs/dbraw/zinc/17/74/04/990177404.db2.gz MUTWESHYINPMMX-ZJSXRUAMSA-N 2 1 408.590 3.718 20 0 HHADMP C[C@H](CCNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000472009284 990177407 /nfs/dbraw/zinc/17/74/07/990177407.db2.gz MUTWESHYINPMMX-ZJSXRUAMSA-N 2 1 408.590 3.718 20 0 HHADMP C[C@H](CCNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000472009284 990177411 /nfs/dbraw/zinc/17/74/11/990177411.db2.gz MUTWESHYINPMMX-ZJSXRUAMSA-N 2 1 408.590 3.718 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000472074975 990235114 /nfs/dbraw/zinc/23/51/14/990235114.db2.gz PWUUJNGIEVTUOR-ZODMCCGTSA-N 2 1 420.601 3.861 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000472074975 990235120 /nfs/dbraw/zinc/23/51/20/990235120.db2.gz PWUUJNGIEVTUOR-ZODMCCGTSA-N 2 1 420.601 3.861 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000472074975 990235133 /nfs/dbraw/zinc/23/51/33/990235133.db2.gz PWUUJNGIEVTUOR-ZODMCCGTSA-N 2 1 420.601 3.861 20 0 HHADMP CC1CC[NH+](Cc2cccc(CNC(=O)N(C)CC[C@H]3CCCC[N@H+]3C)c2)CC1 ZINC000465943507 991083140 /nfs/dbraw/zinc/08/31/40/991083140.db2.gz PRIZYYMHSYBJKB-HSZRJFAPSA-N 2 1 400.611 3.934 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)[C@H]1c1cccs1 ZINC000466073655 991246780 /nfs/dbraw/zinc/24/67/80/991246780.db2.gz DKIVWGXNWBAVJW-SBHAEUEKSA-N 2 1 404.624 3.695 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)[C@H]1c1cccs1 ZINC000466073655 991246788 /nfs/dbraw/zinc/24/67/88/991246788.db2.gz DKIVWGXNWBAVJW-SBHAEUEKSA-N 2 1 404.624 3.695 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)[C@H]1c1cccs1 ZINC000466073655 991246796 /nfs/dbraw/zinc/24/67/96/991246796.db2.gz DKIVWGXNWBAVJW-SBHAEUEKSA-N 2 1 404.624 3.695 20 0 HHADMP CCCN(C(=O)NC1CC[NH+](CCC)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000466088746 991268064 /nfs/dbraw/zinc/26/80/64/991268064.db2.gz BQRVKZMFBBGABF-HSZRJFAPSA-N 2 1 400.611 3.947 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@H]1c1cccs1 ZINC000466092814 991271859 /nfs/dbraw/zinc/27/18/59/991271859.db2.gz BDXMGADONLTMPP-CTNGQTDRSA-N 2 1 404.624 3.648 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000466102520 991281603 /nfs/dbraw/zinc/28/16/03/991281603.db2.gz SVDCJCABFZWGOD-UHFFFAOYSA-N 2 1 400.611 3.662 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[N@H+]1Cc1ccccc1 ZINC000466400992 991694737 /nfs/dbraw/zinc/69/47/37/991694737.db2.gz XOUCBBYPDNSRMM-YKSBVNFPSA-N 2 1 406.574 3.745 20 0 HHADMP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH+]3CCC(c4[nH]cc[nH+]4)CC3)ccc2c1 ZINC000467134540 992451538 /nfs/dbraw/zinc/45/15/38/992451538.db2.gz XXIADVXWIKIVCK-QGZVFWFLSA-N 2 1 406.530 3.798 20 0 HHADMP C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472114740 993165862 /nfs/dbraw/zinc/16/58/62/993165862.db2.gz HHYZANCUXCQODG-GVXSCFBNSA-N 2 1 420.601 3.718 20 0 HHADMP C[C@H](NC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472114740 993165871 /nfs/dbraw/zinc/16/58/71/993165871.db2.gz HHYZANCUXCQODG-GVXSCFBNSA-N 2 1 420.601 3.718 20 0 HHADMP C[C@H](NC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472114740 993165880 /nfs/dbraw/zinc/16/58/80/993165880.db2.gz HHYZANCUXCQODG-GVXSCFBNSA-N 2 1 420.601 3.718 20 0 HHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000472258460 993284123 /nfs/dbraw/zinc/28/41/23/993284123.db2.gz KEQNVNFFQKQGRB-DOTOQJQBSA-N 2 1 416.393 3.603 20 0 HHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000472258460 993284132 /nfs/dbraw/zinc/28/41/32/993284132.db2.gz KEQNVNFFQKQGRB-DOTOQJQBSA-N 2 1 416.393 3.603 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2cc3ccccc3o2)CC1 ZINC000472273425 993294926 /nfs/dbraw/zinc/29/49/26/993294926.db2.gz BOBVVVUQOQWFCR-UHFFFAOYSA-N 2 1 405.542 3.954 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)Cc2cc3ccccc3o2)CC1 ZINC000472273425 993294932 /nfs/dbraw/zinc/29/49/32/993294932.db2.gz BOBVVVUQOQWFCR-UHFFFAOYSA-N 2 1 405.542 3.954 20 0 HHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000472280219 993299528 /nfs/dbraw/zinc/29/95/28/993299528.db2.gz RSJBZRIIPNOEQJ-PUAOIOHZSA-N 2 1 407.407 3.534 20 0 HHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000472280219 993299532 /nfs/dbraw/zinc/29/95/32/993299532.db2.gz RSJBZRIIPNOEQJ-PUAOIOHZSA-N 2 1 407.407 3.534 20 0 HHADMP C[C@@H]1CCN(C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000472293782 993308585 /nfs/dbraw/zinc/30/85/85/993308585.db2.gz CAVPKTCPKAVZNP-RCZVLFRGSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@@H]1CCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000472293782 993308594 /nfs/dbraw/zinc/30/85/94/993308594.db2.gz CAVPKTCPKAVZNP-RCZVLFRGSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000472293782 993308604 /nfs/dbraw/zinc/30/86/04/993308604.db2.gz CAVPKTCPKAVZNP-RCZVLFRGSA-N 2 1 420.601 3.815 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)[C@H]1c1ccccc1 ZINC000472306126 993318105 /nfs/dbraw/zinc/31/81/05/993318105.db2.gz PJDRTUGOZDQTCH-XZOQPEGZSA-N 2 1 424.614 3.845 20 0 HHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472369901 993367261 /nfs/dbraw/zinc/36/72/61/993367261.db2.gz QKZCBNJEJYUEMB-XMMPIXPASA-N 2 1 408.590 3.802 20 0 HHADMP CN(C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000472695765 993616690 /nfs/dbraw/zinc/61/66/90/993616690.db2.gz CYGRUSNJDLTYER-JOCHJYFZSA-N 2 1 410.562 3.755 20 0 HHADMP C[C@@H](CCNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)[N@H+](C)Cc1ccccc1 ZINC000472712271 993636166 /nfs/dbraw/zinc/63/61/66/993636166.db2.gz ZLRHWJOMTLYEPU-NRFANRHFSA-N 2 1 424.589 3.593 20 0 HHADMP C[C@@H](CCNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000472712271 993636168 /nfs/dbraw/zinc/63/61/68/993636168.db2.gz ZLRHWJOMTLYEPU-NRFANRHFSA-N 2 1 424.589 3.593 20 0 HHADMP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)ccc1S(C)(=O)=O ZINC000480775345 993640723 /nfs/dbraw/zinc/64/07/23/993640723.db2.gz OYODJWXBZKGACO-KRWDZBQOSA-N 2 1 404.576 3.790 20 0 HHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000480783055 993650836 /nfs/dbraw/zinc/65/08/36/993650836.db2.gz YJEOKFGLVDHRAB-BKMJKUGQSA-N 2 1 417.601 3.961 20 0 HHADMP Cc1c([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)nnn1-c1ccccc1 ZINC000480792400 993661437 /nfs/dbraw/zinc/66/14/37/993661437.db2.gz BHRQBDPJGLQTOX-GBXCKJPGSA-N 2 1 418.589 3.605 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1cnc2ccsc2c1 ZINC000480911036 993766826 /nfs/dbraw/zinc/76/68/26/993766826.db2.gz KXVWISFNJYHPLX-QGZVFWFLSA-N 2 1 424.570 3.808 20 0 HHADMP CCS[C@H]1CCCC[N@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000481036852 993881301 /nfs/dbraw/zinc/88/13/01/993881301.db2.gz OCLPWLMNBFNTPW-KNQAVFIVSA-N 2 1 403.636 3.763 20 0 HHADMP C[C@H](c1nc2ccccc2o1)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000481121244 993957546 /nfs/dbraw/zinc/95/75/46/993957546.db2.gz USOUUYRAJXXOLW-LJQANCHMSA-N 2 1 420.557 3.849 20 0 HHADMP COc1ccccc1[C@H](C)N(C)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481167833 993999066 /nfs/dbraw/zinc/99/90/66/993999066.db2.gz AKVPHDKSGHKZBB-SXWKCWPCSA-N 2 1 409.574 3.715 20 0 HHADMP COc1ccccc1[C@H](C)N(C)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481167833 993999077 /nfs/dbraw/zinc/99/90/77/993999077.db2.gz AKVPHDKSGHKZBB-SXWKCWPCSA-N 2 1 409.574 3.715 20 0 HHADMP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481173728 994003804 /nfs/dbraw/zinc/00/38/04/994003804.db2.gz JTMHWPNQCNGQDJ-STSQHVNTSA-N 2 1 415.528 3.984 20 0 HHADMP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481173728 994003826 /nfs/dbraw/zinc/00/38/26/994003826.db2.gz JTMHWPNQCNGQDJ-STSQHVNTSA-N 2 1 415.528 3.984 20 0 HHADMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCCCSc1ccccc1 ZINC000481190756 994023074 /nfs/dbraw/zinc/02/30/74/994023074.db2.gz LXTXTNBTHKVUON-REWPJTCUSA-N 2 1 411.615 3.785 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCCCSc1ccccc1 ZINC000481190756 994023084 /nfs/dbraw/zinc/02/30/84/994023084.db2.gz LXTXTNBTHKVUON-REWPJTCUSA-N 2 1 411.615 3.785 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCCCSc1ccccc1 ZINC000481190756 994023096 /nfs/dbraw/zinc/02/30/96/994023096.db2.gz LXTXTNBTHKVUON-REWPJTCUSA-N 2 1 411.615 3.785 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000481209762 994042948 /nfs/dbraw/zinc/04/29/48/994042948.db2.gz PGLWTNSVYRICDX-ZPZUNKDASA-N 2 1 411.565 3.699 20 0 HHADMP COc1cc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc(OC)c1OC ZINC000481546378 994378682 /nfs/dbraw/zinc/37/86/82/994378682.db2.gz PPFFDXPBAFDNQP-ROUUACIJSA-N 2 1 414.546 3.784 20 0 HHADMP COc1cc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc(OC)c1OC ZINC000481546378 994378688 /nfs/dbraw/zinc/37/86/88/994378688.db2.gz PPFFDXPBAFDNQP-ROUUACIJSA-N 2 1 414.546 3.784 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000481561620 994396315 /nfs/dbraw/zinc/39/63/15/994396315.db2.gz KQYXNJLICTUGFS-ZNLUXHQJSA-N 2 1 422.491 3.945 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481561859 994396640 /nfs/dbraw/zinc/39/66/40/994396640.db2.gz AZYRFEKMBSJBDA-SFTDATJTSA-N 3 1 411.590 3.699 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481561859 994396653 /nfs/dbraw/zinc/39/66/53/994396653.db2.gz AZYRFEKMBSJBDA-SFTDATJTSA-N 3 1 411.590 3.699 20 0 HHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481667676 994528208 /nfs/dbraw/zinc/52/82/08/994528208.db2.gz HCZJAOFXLHPKFX-APWZRJJASA-N 2 1 416.031 3.657 20 0 HHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481667676 994528218 /nfs/dbraw/zinc/52/82/18/994528218.db2.gz HCZJAOFXLHPKFX-APWZRJJASA-N 2 1 416.031 3.657 20 0 HHADMP C[C@H]1C[C@H](NC(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC000481686197 994547023 /nfs/dbraw/zinc/54/70/23/994547023.db2.gz OGUFEHRCIIDBQI-XUZZJYLKSA-N 2 1 408.590 3.861 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)c2)CC1 ZINC000473819247 994746903 /nfs/dbraw/zinc/74/69/03/994746903.db2.gz FXAQLOCHLZIFNI-NZQKXSOJSA-N 2 1 421.589 3.613 20 0 HHADMP COc1cccc([C@H]2[C@H](NC(=O)Nc3cccc(C[NH+](C)C)c3)CC[N@H+]2C2CC2)c1 ZINC000481924367 994796219 /nfs/dbraw/zinc/79/62/19/994796219.db2.gz PLEXERXCFTYFSM-PKTZIBPZSA-N 2 1 408.546 3.856 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cc(Cl)ccc3OC)C2)[C@H](C)C1 ZINC000481932186 994804899 /nfs/dbraw/zinc/80/48/99/994804899.db2.gz MQLKSSSQIVLDII-HOJAQTOUSA-N 2 1 410.002 3.654 20 0 HHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000482124132 995072979 /nfs/dbraw/zinc/07/29/79/995072979.db2.gz IHSOZUWFEBVAQW-SJORKVTESA-N 2 1 407.605 3.682 20 0 HHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000482124132 995072987 /nfs/dbraw/zinc/07/29/87/995072987.db2.gz IHSOZUWFEBVAQW-SJORKVTESA-N 2 1 407.605 3.682 20 0 HHADMP COC(=O)c1ccc(COc2ccc(C[NH2+]C3CC[NH+](C(C)C)CC3)cc2OC)o1 ZINC000482212286 995196656 /nfs/dbraw/zinc/19/66/56/995196656.db2.gz KSMLVXCYKYWAFT-UHFFFAOYSA-N 2 1 416.518 3.616 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccc2c(c1)OCO2 ZINC000482256410 995234443 /nfs/dbraw/zinc/23/44/43/995234443.db2.gz GYWZZSUESMUYAY-SFHVURJKSA-N 2 1 412.530 3.756 20 0 HHADMP O=C1Nc2ccccc2C12CCC([NH2+]C[C@@H]1CC[N@@H+](CCc3ccccc3)C1)CC2 ZINC000482434228 995426935 /nfs/dbraw/zinc/42/69/35/995426935.db2.gz FACCTXKKAHFMLZ-OKFDZGCWSA-N 2 1 403.570 3.973 20 0 HHADMP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3c(F)cccc3Br)cc2)CC1 ZINC000474469217 995431316 /nfs/dbraw/zinc/43/13/16/995431316.db2.gz BTCVCXZJPXTPAW-UHFFFAOYSA-N 2 1 407.327 3.835 20 0 HHADMP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CCC(C(F)(F)F)CC1 ZINC000474482964 995440911 /nfs/dbraw/zinc/44/09/11/995440911.db2.gz QQBDTIQLJCSPRV-VQSBYGRUSA-N 2 1 411.512 3.921 20 0 HHADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000482446489 995445205 /nfs/dbraw/zinc/44/52/05/995445205.db2.gz PVGFDMQISRJDFI-LBPRGKRZSA-N 2 1 411.390 3.539 20 0 HHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc2ccccc2c1OC(F)F ZINC000482543052 995551713 /nfs/dbraw/zinc/55/17/13/995551713.db2.gz KPCFKBLRKMHLMC-WBVHZDCISA-N 2 1 405.489 3.679 20 0 HHADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc2ccccc2c1OC(F)F ZINC000482543052 995551725 /nfs/dbraw/zinc/55/17/25/995551725.db2.gz KPCFKBLRKMHLMC-WBVHZDCISA-N 2 1 405.489 3.679 20 0 HHADMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc2ccccc2c1OC(F)F ZINC000482543050 995551882 /nfs/dbraw/zinc/55/18/82/995551882.db2.gz KPCFKBLRKMHLMC-RDJZCZTQSA-N 2 1 405.489 3.679 20 0 HHADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc2ccccc2c1OC(F)F ZINC000482543050 995551889 /nfs/dbraw/zinc/55/18/89/995551889.db2.gz KPCFKBLRKMHLMC-RDJZCZTQSA-N 2 1 405.489 3.679 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)C1 ZINC000482570403 995575826 /nfs/dbraw/zinc/57/58/26/995575826.db2.gz WJHQWFXYMZBZQZ-CRAIPNDOSA-N 2 1 416.566 3.504 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CC4(CCC4)Oc4ccccc43)c2)C1 ZINC000482636702 995631131 /nfs/dbraw/zinc/63/11/31/995631131.db2.gz WPFFCURTADBJSQ-GGAORHGYSA-N 2 1 419.569 3.920 20 0 HHADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1OC ZINC000474820850 995726192 /nfs/dbraw/zinc/72/61/92/995726192.db2.gz ICYLQLYISKEPQP-IYRWYFENSA-N 2 1 412.574 3.668 20 0 HHADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1OC ZINC000474820850 995726198 /nfs/dbraw/zinc/72/61/98/995726198.db2.gz ICYLQLYISKEPQP-IYRWYFENSA-N 2 1 412.574 3.668 20 0 HHADMP Cc1ccc(C[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C2CC2)cc1 ZINC000482821844 995772688 /nfs/dbraw/zinc/77/26/88/995772688.db2.gz LMVKCMJSUOZFLP-LOSJGSFVSA-N 2 1 405.586 3.803 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000475114019 995930571 /nfs/dbraw/zinc/93/05/71/995930571.db2.gz VWHHHSVOFCBCDQ-FCHUYYIVSA-N 2 1 410.562 3.641 20 0 HHADMP CC(C)(C)[NH+]1CCC(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000475119770 995934731 /nfs/dbraw/zinc/93/47/31/995934731.db2.gz QGHLLJCYVVENCR-VWLOTQADSA-N 2 1 412.622 3.947 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000475129877 995941070 /nfs/dbraw/zinc/94/10/70/995941070.db2.gz LDURPNYXGOBJHL-OAQYLSRUSA-N 2 1 421.520 3.736 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000475129877 995941075 /nfs/dbraw/zinc/94/10/75/995941075.db2.gz LDURPNYXGOBJHL-OAQYLSRUSA-N 2 1 421.520 3.736 20 0 HHADMP CCN(C(=O)NCCCC[NH+]1CCC[C@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475175797 995973137 /nfs/dbraw/zinc/97/31/37/995973137.db2.gz RTNSJARQKBBXEC-JTHBVZDNSA-N 2 1 400.611 3.805 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2)[C@@H](C)C1 ZINC000483140174 995998515 /nfs/dbraw/zinc/99/85/15/995998515.db2.gz ZSOAHWNGNFWTIC-CUWPLCDZSA-N 2 1 424.427 3.754 20 0 HHADMP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000483176957 996019403 /nfs/dbraw/zinc/01/94/03/996019403.db2.gz KUOJPHRNCMWRMF-NRFANRHFSA-N 2 1 401.595 3.678 20 0 HHADMP Brc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCCO2 ZINC000483200162 996033656 /nfs/dbraw/zinc/03/36/56/996033656.db2.gz NNBBVTNUOKCBGI-KXBFYZLASA-N 2 1 409.368 3.753 20 0 HHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475270240 996036989 /nfs/dbraw/zinc/03/69/89/996036989.db2.gz PXSVDWBLHWPDRE-GOSISDBHSA-N 2 1 408.498 3.840 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475290193 996048273 /nfs/dbraw/zinc/04/82/73/996048273.db2.gz GTVQBWGWKBPHMX-IEZKXTBUSA-N 2 1 420.601 3.813 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475290193 996048280 /nfs/dbraw/zinc/04/82/80/996048280.db2.gz GTVQBWGWKBPHMX-IEZKXTBUSA-N 2 1 420.601 3.813 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475290193 996048286 /nfs/dbraw/zinc/04/82/86/996048286.db2.gz GTVQBWGWKBPHMX-IEZKXTBUSA-N 2 1 420.601 3.813 20 0 HHADMP CS[C@@H]1CN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[C@@H]1[NH+]1CCCC1 ZINC000483396393 996149783 /nfs/dbraw/zinc/14/97/83/996149783.db2.gz PTTSQKFPNZMBSJ-SESVDKBCSA-N 2 1 416.635 3.531 20 0 HHADMP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)ccc2c1 ZINC000483502243 996221655 /nfs/dbraw/zinc/22/16/55/996221655.db2.gz HCXQLFMZHIFJMM-JKFKMHIGSA-N 2 1 409.574 3.611 20 0 HHADMP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)ccc2c1 ZINC000483502243 996221661 /nfs/dbraw/zinc/22/16/61/996221661.db2.gz HCXQLFMZHIFJMM-JKFKMHIGSA-N 2 1 409.574 3.611 20 0 HHADMP COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)ccc2c1 ZINC000483502243 996221667 /nfs/dbraw/zinc/22/16/67/996221667.db2.gz HCXQLFMZHIFJMM-JKFKMHIGSA-N 2 1 409.574 3.611 20 0 HHADMP COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)ccc2c1 ZINC000483502243 996221674 /nfs/dbraw/zinc/22/16/74/996221674.db2.gz HCXQLFMZHIFJMM-JKFKMHIGSA-N 2 1 409.574 3.611 20 0 HHADMP CC[NH+](CC)CCSCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483592893 996273049 /nfs/dbraw/zinc/27/30/49/996273049.db2.gz BDLKPKCEHZNOLK-FGZHOGPDSA-N 2 1 403.636 3.575 20 0 HHADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000483620965 996290952 /nfs/dbraw/zinc/29/09/52/996290952.db2.gz HCHGOGVVLCKXGW-GIWBLDEGSA-N 2 1 400.611 3.945 20 0 HHADMP O[C@@H](COCc1cccs1)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475729533 996329213 /nfs/dbraw/zinc/32/92/13/996329213.db2.gz NNFIVTOXAUVPCW-FYYLOGMGSA-N 2 1 400.588 3.614 20 0 HHADMP O[C@@H](COCc1cccs1)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475729533 996329219 /nfs/dbraw/zinc/32/92/19/996329219.db2.gz NNFIVTOXAUVPCW-FYYLOGMGSA-N 2 1 400.588 3.614 20 0 HHADMP O[C@@H](COCc1cccs1)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475729533 996329223 /nfs/dbraw/zinc/32/92/23/996329223.db2.gz NNFIVTOXAUVPCW-FYYLOGMGSA-N 2 1 400.588 3.614 20 0 HHADMP COc1cccc(COC[C@H](O)C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475736924 996335880 /nfs/dbraw/zinc/33/58/80/996335880.db2.gz XYYUOGGBNRBXBD-AOYPEHQESA-N 2 1 424.585 3.561 20 0 HHADMP COc1cccc(COC[C@H](O)C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000475736924 996335885 /nfs/dbraw/zinc/33/58/85/996335885.db2.gz XYYUOGGBNRBXBD-AOYPEHQESA-N 2 1 424.585 3.561 20 0 HHADMP COc1cccc(COC[C@H](O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000475736924 996335891 /nfs/dbraw/zinc/33/58/91/996335891.db2.gz XYYUOGGBNRBXBD-AOYPEHQESA-N 2 1 424.585 3.561 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000483706353 996340226 /nfs/dbraw/zinc/34/02/26/996340226.db2.gz FEABBWONJQLFEO-PMVMPFDFSA-N 2 1 400.611 3.974 20 0 HHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(NS(C)(=O)=O)cc1 ZINC000483728346 996353243 /nfs/dbraw/zinc/35/32/43/996353243.db2.gz OETHKXBQSCRLRQ-RIFZZMRRSA-N 2 1 407.605 3.853 20 0 HHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(NS(C)(=O)=O)cc1 ZINC000483728346 996353253 /nfs/dbraw/zinc/35/32/53/996353253.db2.gz OETHKXBQSCRLRQ-RIFZZMRRSA-N 2 1 407.605 3.853 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000475935520 996483921 /nfs/dbraw/zinc/48/39/21/996483921.db2.gz VIXIWOSKYFYBIT-RDPSFJRHSA-N 2 1 423.605 3.867 20 0 HHADMP C[C@@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000483970958 996499001 /nfs/dbraw/zinc/49/90/01/996499001.db2.gz GNCIEXDDVDCDHG-QPPBQGQZSA-N 2 1 420.601 3.861 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccco1 ZINC000475967907 996504568 /nfs/dbraw/zinc/50/45/68/996504568.db2.gz RGRQYRXDYVYBSG-QPPBQGQZSA-N 2 1 410.562 3.580 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccco1 ZINC000475967907 996504572 /nfs/dbraw/zinc/50/45/72/996504572.db2.gz RGRQYRXDYVYBSG-QPPBQGQZSA-N 2 1 410.562 3.580 20 0 HHADMP O[C@]1(C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000484130120 996587233 /nfs/dbraw/zinc/58/72/33/996587233.db2.gz DPLCIBLRSJJGJZ-RTWAWAEBSA-N 2 1 406.448 3.799 20 0 HHADMP O[C@]1(C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000484130120 996587243 /nfs/dbraw/zinc/58/72/43/996587243.db2.gz DPLCIBLRSJJGJZ-RTWAWAEBSA-N 2 1 406.448 3.799 20 0 HHADMP C[NH+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000484702645 997041075 /nfs/dbraw/zinc/04/10/75/997041075.db2.gz KHMHNZSRTSXJOW-HNNXBMFYSA-N 2 1 413.393 3.551 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](C[NH+](C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000484713080 997052609 /nfs/dbraw/zinc/05/26/09/997052609.db2.gz WUTKRIYSZZJWSU-RYGJVYDSSA-N 2 1 410.965 3.596 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](C[NH+](C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000484713080 997052617 /nfs/dbraw/zinc/05/26/17/997052617.db2.gz WUTKRIYSZZJWSU-RYGJVYDSSA-N 2 1 410.965 3.596 20 0 HHADMP C[C@@H]1[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000476906099 997511772 /nfs/dbraw/zinc/51/17/72/997511772.db2.gz MFGDLEMMMPRDEE-YKSBVNFPSA-N 2 1 406.574 3.745 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477029983 997661767 /nfs/dbraw/zinc/66/17/67/997661767.db2.gz UVCJNNBNFQYANB-MAODMQOUSA-N 2 1 407.961 3.995 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477029983 997661777 /nfs/dbraw/zinc/66/17/77/997661777.db2.gz UVCJNNBNFQYANB-MAODMQOUSA-N 2 1 407.961 3.995 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477029983 997661790 /nfs/dbraw/zinc/66/17/90/997661790.db2.gz UVCJNNBNFQYANB-MAODMQOUSA-N 2 1 407.961 3.995 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000485287353 997685452 /nfs/dbraw/zinc/68/54/52/997685452.db2.gz KJAGNMNWNJMGSH-WNXIRNOKSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000485287353 997685459 /nfs/dbraw/zinc/68/54/59/997685459.db2.gz KJAGNMNWNJMGSH-WNXIRNOKSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000485287353 997685465 /nfs/dbraw/zinc/68/54/65/997685465.db2.gz KJAGNMNWNJMGSH-WNXIRNOKSA-N 2 1 412.622 3.790 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)NCc3ccccc3C[N@H+]3CCC[C@H](C)C3)CC2)c1 ZINC000485294957 997698784 /nfs/dbraw/zinc/69/87/84/997698784.db2.gz BICOFERIICFYEH-NRFANRHFSA-N 2 1 421.589 3.654 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)NCc3ccccc3C[N@@H+]3CCC[C@H](C)C3)CC2)c1 ZINC000485294957 997698789 /nfs/dbraw/zinc/69/87/89/997698789.db2.gz BICOFERIICFYEH-NRFANRHFSA-N 2 1 421.589 3.654 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1Cl ZINC000485453548 997896350 /nfs/dbraw/zinc/89/63/50/997896350.db2.gz KANWCFKGLPPHJT-IOMROCGXSA-N 2 1 407.002 3.849 20 0 HHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000477278734 997957977 /nfs/dbraw/zinc/95/79/77/997957977.db2.gz OYPVKEBJONRMCO-LJQANCHMSA-N 2 1 404.599 3.786 20 0 HHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000477337910 998025524 /nfs/dbraw/zinc/02/55/24/998025524.db2.gz JIIWCODSBYVFBZ-LJQANCHMSA-N 2 1 414.516 3.653 20 0 HHADMP C[N@H+]1CCC[C@H]2CN(C(=O)NCC3CC[NH+](Cc4ccccc4Cl)CC3)CC[C@H]21 ZINC000485602086 998049375 /nfs/dbraw/zinc/04/93/75/998049375.db2.gz QCJYIKFJOSANML-RBBKRZOGSA-N 2 1 419.013 3.678 20 0 HHADMP CC[NH+](CC)CCSCC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477440111 998138831 /nfs/dbraw/zinc/13/88/31/998138831.db2.gz QSVJWCFGBIOTNI-JXFKEZNVSA-N 2 1 416.006 3.663 20 0 HHADMP C[C@H]([NH2+][C@@H](C)c1ccc2ncsc2c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485824295 998291763 /nfs/dbraw/zinc/29/17/63/998291763.db2.gz BZZYBVOHBOMZHF-ABSDTBQOSA-N 2 1 408.571 3.726 20 0 HHADMP O=C(C1CC[NH+](C2CC2)CC1)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000485893393 998346971 /nfs/dbraw/zinc/34/69/71/998346971.db2.gz BBXSUQFOPFERIJ-LJQANCHMSA-N 2 1 423.523 3.774 20 0 HHADMP C[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](C3CCCCC3)CC2)[C@H]1c1cccs1 ZINC000486111581 998558548 /nfs/dbraw/zinc/55/85/48/998558548.db2.gz RSJFWCVVKHAISS-RXVVDRJESA-N 2 1 404.624 3.791 20 0 HHADMP Cc1ccc(NC(=O)c2ccccc2C[NH+](C)C)cc1NC(=O)C[NH+]1CCCCC1 ZINC000486156415 998605459 /nfs/dbraw/zinc/60/54/59/998605459.db2.gz RIADWPVBPOMAFK-UHFFFAOYSA-N 2 1 408.546 3.733 20 0 HHADMP CC(C)C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000486214201 998651593 /nfs/dbraw/zinc/65/15/93/998651593.db2.gz LKOFRUGOACVGIN-KZKAQZJJSA-N 2 1 400.611 3.878 20 0 HHADMP C[C@H](NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486266794 998685065 /nfs/dbraw/zinc/68/50/65/998685065.db2.gz DVQMDWIXEFBCGQ-GIWBLDEGSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@H](NC(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486266794 998685070 /nfs/dbraw/zinc/68/50/70/998685070.db2.gz DVQMDWIXEFBCGQ-GIWBLDEGSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@H](NC(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486266794 998685078 /nfs/dbraw/zinc/68/50/78/998685078.db2.gz DVQMDWIXEFBCGQ-GIWBLDEGSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@H](NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486300519 998702174 /nfs/dbraw/zinc/70/21/74/998702174.db2.gz TXUTVTMWJREHBU-HYVLGVRCSA-N 2 1 414.638 3.954 20 0 HHADMP C[C@H](NC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486300519 998702179 /nfs/dbraw/zinc/70/21/79/998702179.db2.gz TXUTVTMWJREHBU-HYVLGVRCSA-N 2 1 414.638 3.954 20 0 HHADMP C[C@H](NC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486300519 998702181 /nfs/dbraw/zinc/70/21/81/998702181.db2.gz TXUTVTMWJREHBU-HYVLGVRCSA-N 2 1 414.638 3.954 20 0 HHADMP C[N@H+]1CC[C@@H](CNC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000478416020 998946457 /nfs/dbraw/zinc/94/64/57/998946457.db2.gz INJLRWLZPBJFPK-PXNSSMCTSA-N 2 1 424.992 3.893 20 0 HHADMP c1ccc(C[N@H+]2CCC[C@H]2CN2CCCC2)c(CN2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000486977456 999025186 /nfs/dbraw/zinc/02/51/86/999025186.db2.gz OZHUIKIGLXLBQE-UIOOFZCWSA-N 2 1 410.650 3.807 20 0 HHADMP c1ccc(C[N@@H+]2CCC[C@H]2CN2CCCC2)c(CN2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000486977456 999025190 /nfs/dbraw/zinc/02/51/90/999025190.db2.gz OZHUIKIGLXLBQE-UIOOFZCWSA-N 2 1 410.650 3.807 20 0 HHADMP C[C@H]1[C@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000478903672 999202851 /nfs/dbraw/zinc/20/28/51/999202851.db2.gz XOWYINBJOGNBGP-SQJMNOBHSA-N 2 1 420.601 3.656 20 0 HHADMP CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N[C@H]3CCC[C@@H]([NH+](C)C)C3)c2c1C ZINC000487651581 999242201 /nfs/dbraw/zinc/24/22/01/999242201.db2.gz YZCUUNBNFIBLEY-LSDHHAIUSA-N 2 1 419.595 3.523 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000479067636 999278513 /nfs/dbraw/zinc/27/85/13/999278513.db2.gz MILWWLZRDDEKMC-ZWKOTPCHSA-N 2 1 421.632 3.575 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000479067636 999278520 /nfs/dbraw/zinc/27/85/20/999278520.db2.gz MILWWLZRDDEKMC-ZWKOTPCHSA-N 2 1 421.632 3.575 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000487801440 999294143 /nfs/dbraw/zinc/29/41/43/999294143.db2.gz PEPMIJDUCAYQOI-FCHUYYIVSA-N 2 1 422.564 3.910 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000487801440 999294148 /nfs/dbraw/zinc/29/41/48/999294148.db2.gz PEPMIJDUCAYQOI-FCHUYYIVSA-N 2 1 422.564 3.910 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000487950305 999326029 /nfs/dbraw/zinc/32/60/29/999326029.db2.gz GWDPMGFPVFYVQW-RDAUYSRESA-N 2 1 422.564 3.908 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000487950305 999326032 /nfs/dbraw/zinc/32/60/32/999326032.db2.gz GWDPMGFPVFYVQW-RDAUYSRESA-N 2 1 422.564 3.908 20 0 HHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488077174 999369041 /nfs/dbraw/zinc/36/90/41/999369041.db2.gz RYABQTAEUFILMW-DPLHUUCSSA-N 2 1 408.590 3.717 20 0 HHADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488077174 999369043 /nfs/dbraw/zinc/36/90/43/999369043.db2.gz RYABQTAEUFILMW-DPLHUUCSSA-N 2 1 408.590 3.717 20 0 HHADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488077174 999369046 /nfs/dbraw/zinc/36/90/46/999369046.db2.gz RYABQTAEUFILMW-DPLHUUCSSA-N 2 1 408.590 3.717 20 0 HHADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)c2ccc3c(c2)OCCO3)CC1)CC1CC1 ZINC000488102869 999376756 /nfs/dbraw/zinc/37/67/56/999376756.db2.gz QHHHFQZLCFRGKE-UHFFFAOYSA-N 2 1 400.563 3.865 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[NH+](C3CCC3)C[C@@H](C)C2)C1 ZINC000488190285 999408718 /nfs/dbraw/zinc/40/87/18/999408718.db2.gz RQGUEJMDVPJCCP-LEWJYISDSA-N 2 1 412.622 3.934 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)C1 ZINC000488190285 999408720 /nfs/dbraw/zinc/40/87/20/999408720.db2.gz RQGUEJMDVPJCCP-LEWJYISDSA-N 2 1 412.622 3.934 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)C1 ZINC000488190285 999408724 /nfs/dbraw/zinc/40/87/24/999408724.db2.gz RQGUEJMDVPJCCP-LEWJYISDSA-N 2 1 412.622 3.934 20 0 HHADMP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCC[NH+]2CCc3sccc3C2)CC1 ZINC000479430016 999412443 /nfs/dbraw/zinc/41/24/43/999412443.db2.gz WPUHHLKDRYCGLC-IBGZPJMESA-N 2 1 418.651 3.792 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCC[NH+]2CCc3sccc3C2)CC1 ZINC000479430016 999412450 /nfs/dbraw/zinc/41/24/50/999412450.db2.gz WPUHHLKDRYCGLC-IBGZPJMESA-N 2 1 418.651 3.792 20 0 HHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000479430016 999412454 /nfs/dbraw/zinc/41/24/54/999412454.db2.gz WPUHHLKDRYCGLC-IBGZPJMESA-N 2 1 418.651 3.792 20 0 HHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000479430016 999412458 /nfs/dbraw/zinc/41/24/58/999412458.db2.gz WPUHHLKDRYCGLC-IBGZPJMESA-N 2 1 418.651 3.792 20 0 HHADMP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000488392605 999472192 /nfs/dbraw/zinc/47/21/92/999472192.db2.gz QPOBIEZOJMSMMU-HXUWFJFHSA-N 2 1 411.594 3.870 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000488478569 999501455 /nfs/dbraw/zinc/50/14/55/999501455.db2.gz PNTLBZWSVYIENC-RDPSFJRHSA-N 2 1 423.626 3.876 20 0 HHADMP C[C@@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488544531 999523112 /nfs/dbraw/zinc/52/31/12/999523112.db2.gz GYMXRTKQPARUTO-NFBKMPQASA-N 2 1 421.589 3.508 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000488605771 999543737 /nfs/dbraw/zinc/54/37/37/999543737.db2.gz BUVKPKQTQLNMSB-ZPMCFJSWSA-N 2 1 422.564 3.908 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000488605771 999543739 /nfs/dbraw/zinc/54/37/39/999543739.db2.gz BUVKPKQTQLNMSB-ZPMCFJSWSA-N 2 1 422.564 3.908 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000488605771 999543741 /nfs/dbraw/zinc/54/37/41/999543741.db2.gz BUVKPKQTQLNMSB-ZPMCFJSWSA-N 2 1 422.564 3.908 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000488605771 999543743 /nfs/dbraw/zinc/54/37/43/999543743.db2.gz BUVKPKQTQLNMSB-ZPMCFJSWSA-N 2 1 422.564 3.908 20 0 HHADMP CC[N@H+](Cc1ccc(C(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1)C(C)C ZINC000488812864 999616041 /nfs/dbraw/zinc/61/60/41/999616041.db2.gz VIQPYGISDFJKJD-UHFFFAOYSA-N 2 1 409.578 3.723 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1)C(C)C ZINC000488812864 999616044 /nfs/dbraw/zinc/61/60/44/999616044.db2.gz VIQPYGISDFJKJD-UHFFFAOYSA-N 2 1 409.578 3.723 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)NC[C@]3(C)CCC[N@@H+]3Cc3ccccc3)CC2)[nH+]1 ZINC000488923490 999648408 /nfs/dbraw/zinc/64/84/08/999648408.db2.gz YZKYPGSWDAGUPE-VWLOTQADSA-N 2 1 421.589 3.713 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)NC[C@]3(C)CCC[N@H+]3Cc3ccccc3)CC2)[nH+]1 ZINC000488923490 999648409 /nfs/dbraw/zinc/64/84/09/999648409.db2.gz YZKYPGSWDAGUPE-VWLOTQADSA-N 2 1 421.589 3.713 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000489444491 999768871 /nfs/dbraw/zinc/76/88/71/999768871.db2.gz XXVWJKIAQYDEGM-LEOXJPRUSA-N 2 1 412.553 3.638 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000489445080 999769083 /nfs/dbraw/zinc/76/90/83/999769083.db2.gz LFSJCEPQUHZTHX-HYBUGGRVSA-N 2 1 412.622 3.993 20 0 HHADMP C[N@@H+](CCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)Cc1ccc(F)cc1 ZINC000489452591 999770433 /nfs/dbraw/zinc/77/04/33/999770433.db2.gz VKSVPWMXQXGRRA-UHFFFAOYSA-N 2 1 412.553 3.564 20 0 HHADMP C[N@H+](CCOc1cccc(C[NH2+]Cc2nccn2-c2ccccc2)c1)C1CCOCC1 ZINC000480355160 999778686 /nfs/dbraw/zinc/77/86/86/999778686.db2.gz IRNNJCHPKQGJFP-UHFFFAOYSA-N 2 1 420.557 3.652 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2nccn2-c2ccccc2)c1)C1CCOCC1 ZINC000480355160 999778687 /nfs/dbraw/zinc/77/86/87/999778687.db2.gz IRNNJCHPKQGJFP-UHFFFAOYSA-N 2 1 420.557 3.652 20 0 HHADMP Cc1cccc(OCCNC(=O)[C@@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000489630873 999806306 /nfs/dbraw/zinc/80/63/06/999806306.db2.gz BOQVOWFHFFYIJG-JOCHJYFZSA-N 2 1 423.601 3.723 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000489635714 999807133 /nfs/dbraw/zinc/80/71/33/999807133.db2.gz ROUDZEWEVKAJTD-QFIPXVFZSA-N 2 1 402.966 3.924 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC000489726922 999825694 /nfs/dbraw/zinc/82/56/94/999825694.db2.gz ICEHJHXHAYJUGE-YOEKFXIASA-N 2 1 412.622 3.659 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000489726922 999825696 /nfs/dbraw/zinc/82/56/96/999825696.db2.gz ICEHJHXHAYJUGE-YOEKFXIASA-N 2 1 412.622 3.659 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000489726922 999825697 /nfs/dbraw/zinc/82/56/97/999825697.db2.gz ICEHJHXHAYJUGE-YOEKFXIASA-N 2 1 412.622 3.659 20 0 HHADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000480613994 999841613 /nfs/dbraw/zinc/84/16/13/999841613.db2.gz UYZIDMHKDPELRM-RTBURBONSA-N 2 1 415.603 3.677 20 0 HHADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000480613994 999841614 /nfs/dbraw/zinc/84/16/14/999841614.db2.gz UYZIDMHKDPELRM-RTBURBONSA-N 2 1 415.603 3.677 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[NH+](C)C ZINC000489878233 999853782 /nfs/dbraw/zinc/85/37/82/999853782.db2.gz ZURHRDQPCSXFHO-HSZRJFAPSA-N 2 1 424.589 3.604 20 0 HHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000480695943 999861741 /nfs/dbraw/zinc/86/17/41/999861741.db2.gz VDCVCDBRSRDTIV-OAQYLSRUSA-N 2 1 420.601 3.802 20 0 HHADMP Cc1ccc([C@@H]2C[C@@H](C)[N@H+](CC(=O)Nc3ccc(CN4CCOCC4)cc3)C2)cc1 ZINC000490046376 999884366 /nfs/dbraw/zinc/88/43/66/999884366.db2.gz VPAGYRFYXXQAJX-NFBKMPQASA-N 2 1 407.558 3.644 20 0 HHADMP CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccc2C1 ZINC000490118236 999895504 /nfs/dbraw/zinc/89/55/04/999895504.db2.gz JXKDQOJXSWWVKC-UNVFRBQDSA-N 2 1 421.585 3.879 20 0 HHADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)CC3 ZINC000490142370 999899394 /nfs/dbraw/zinc/89/93/94/999899394.db2.gz HSSMAPIJQOQULY-NRFANRHFSA-N 2 1 416.569 3.511 20 0 HHADMP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]3CCOCC3)c1)[C@H](C)C2 ZINC000490167610 999903249 /nfs/dbraw/zinc/90/32/49/999903249.db2.gz LIRXSGAKYOHSQE-CLOONOSVSA-N 2 1 407.558 3.679 20 0 HHADMP C[C@@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490799782 1000007928 /nfs/dbraw/zinc/00/79/28/1000007928.db2.gz SSEXTNNZIQRTGR-KNQAVFIVSA-N 2 1 400.526 3.888 20 0 HHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000490952142 1000026587 /nfs/dbraw/zinc/02/65/87/1000026587.db2.gz QHGVYVZBISOJKS-RTBURBONSA-N 2 1 404.624 3.520 20 0 HHADMP C[C@@H]1C[N@@H+](CCCCOc2ccccc2C(F)(F)F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000491000202 1000032282 /nfs/dbraw/zinc/03/22/82/1000032282.db2.gz ZNPCSTRDFBTRSB-QUCCMNQESA-N 2 1 413.528 3.822 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C)[NH+]1CCc2ccccc2C1 ZINC000491027255 1000035898 /nfs/dbraw/zinc/03/58/98/1000035898.db2.gz JEBCIDVNWDTFMF-JTHBVZDNSA-N 2 1 405.586 3.804 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000491027255 1000035901 /nfs/dbraw/zinc/03/59/01/1000035901.db2.gz JEBCIDVNWDTFMF-JTHBVZDNSA-N 2 1 405.586 3.804 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000491027255 1000035904 /nfs/dbraw/zinc/03/59/04/1000035904.db2.gz JEBCIDVNWDTFMF-JTHBVZDNSA-N 2 1 405.586 3.804 20 0 HHADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)C1 ZINC000491057503 1000040262 /nfs/dbraw/zinc/04/02/62/1000040262.db2.gz FNVVUQUPOURKNZ-FPOVZHCZSA-N 2 1 417.500 3.554 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)C1 ZINC000491057503 1000040264 /nfs/dbraw/zinc/04/02/64/1000040264.db2.gz FNVVUQUPOURKNZ-FPOVZHCZSA-N 2 1 417.500 3.554 20 0 HHADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000491147246 1000050246 /nfs/dbraw/zinc/05/02/46/1000050246.db2.gz WUQHZPVWCKZWGC-DVKRWUGUSA-N 2 1 412.622 3.660 20 0 HHADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000491147246 1000050249 /nfs/dbraw/zinc/05/02/49/1000050249.db2.gz WUQHZPVWCKZWGC-DVKRWUGUSA-N 2 1 412.622 3.660 20 0 HHADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000491147246 1000050250 /nfs/dbraw/zinc/05/02/50/1000050250.db2.gz WUQHZPVWCKZWGC-DVKRWUGUSA-N 2 1 412.622 3.660 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000491389602 1000070865 /nfs/dbraw/zinc/07/08/65/1000070865.db2.gz OWMHXBPKJTYTEZ-OAQYLSRUSA-N 2 1 424.593 3.526 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000491403089 1000072121 /nfs/dbraw/zinc/07/21/21/1000072121.db2.gz WSEZHMIJJXSQCQ-IBGZPJMESA-N 2 1 424.593 3.703 20 0 HHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000493222365 1000163668 /nfs/dbraw/zinc/16/36/68/1000163668.db2.gz APNLPPJQMXXTQD-QFIPXVFZSA-N 2 1 415.534 3.894 20 0 HHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)CC3 ZINC000493276515 1000166520 /nfs/dbraw/zinc/16/65/20/1000166520.db2.gz KECOVOYXKRTVJV-LGVFNWMJSA-N 2 1 403.570 3.806 20 0 HHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)CC3 ZINC000493276515 1000166522 /nfs/dbraw/zinc/16/65/22/1000166522.db2.gz KECOVOYXKRTVJV-LGVFNWMJSA-N 2 1 403.570 3.806 20 0 HHADMP O[C@]1(C[NH2+]C2CC(c3ccc(Br)cc3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000493959714 1000238311 /nfs/dbraw/zinc/23/83/11/1000238311.db2.gz FXGBEFUAMQSUJR-VTLFHKLASA-N 2 1 415.375 3.922 20 0 HHADMP O[C@]1(C[NH2+]C2CC(c3ccc(Br)cc3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000493959714 1000238315 /nfs/dbraw/zinc/23/83/15/1000238315.db2.gz FXGBEFUAMQSUJR-VTLFHKLASA-N 2 1 415.375 3.922 20 0 HHADMP C[N@H+]1CCCC[C@H]1CCC(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000494005337 1000263295 /nfs/dbraw/zinc/26/32/95/1000263295.db2.gz XZPHHLWLIGIRIZ-NRFANRHFSA-N 2 1 400.567 3.704 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccccc1 ZINC000504615962 1000294030 /nfs/dbraw/zinc/29/40/30/1000294030.db2.gz WLZHGSKVECHDFA-RTWAWAEBSA-N 2 1 401.501 3.563 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000494129438 1000321826 /nfs/dbraw/zinc/32/18/26/1000321826.db2.gz XYOYSPXCEXBNJO-FGZHOGPDSA-N 2 1 401.501 3.980 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000494129438 1000321833 /nfs/dbraw/zinc/32/18/33/1000321833.db2.gz XYOYSPXCEXBNJO-FGZHOGPDSA-N 2 1 401.501 3.980 20 0 HHADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000494189771 1000351725 /nfs/dbraw/zinc/35/17/25/1000351725.db2.gz UTTOQVBJZUAWMX-QZTJIDSGSA-N 2 1 401.776 3.960 20 0 HHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000494191346 1000353095 /nfs/dbraw/zinc/35/30/95/1000353095.db2.gz INCWXHPECYAKEO-QGZVFWFLSA-N 2 1 409.755 3.959 20 0 HHADMP CC(C)[C@@H](CNC(=O)Nc1cccc(OCC[NH+](C)C)c1)[N@H+]1CCc2ccccc2C1 ZINC000504816892 1000382777 /nfs/dbraw/zinc/38/27/77/1000382777.db2.gz FXZIXZJAJYUXHT-XMMPIXPASA-N 2 1 424.589 3.831 20 0 HHADMP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504883915 1000426186 /nfs/dbraw/zinc/42/61/86/1000426186.db2.gz XFNMDPBWOMOLNT-NHCUHLMSSA-N 2 1 412.603 3.849 20 0 HHADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000504919970 1000448952 /nfs/dbraw/zinc/44/89/52/1000448952.db2.gz MDINMVQTKBQISR-AUSIDOKSSA-N 2 1 407.558 3.994 20 0 HHADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504931024 1000455513 /nfs/dbraw/zinc/45/55/13/1000455513.db2.gz RSLFCMNJTOQXHW-FCHUYYIVSA-N 2 1 410.562 3.770 20 0 HHADMP C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[N@@H+]1CCc2sccc2C1 ZINC000504983191 1000488095 /nfs/dbraw/zinc/48/80/95/1000488095.db2.gz OCJQZRRANOWBJM-RXVVDRJESA-N 2 1 412.603 3.631 20 0 HHADMP C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[N@H+]1CCc2sccc2C1 ZINC000504983191 1000488100 /nfs/dbraw/zinc/48/81/00/1000488100.db2.gz OCJQZRRANOWBJM-RXVVDRJESA-N 2 1 412.603 3.631 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1cccs1 ZINC000505158810 1000584906 /nfs/dbraw/zinc/58/49/06/1000584906.db2.gz ATLLBDSOVLGHPN-MSOLQXFVSA-N 2 1 407.530 3.624 20 0 HHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccc(F)cc3)cc2)CC1 ZINC000494923572 1000732249 /nfs/dbraw/zinc/73/22/49/1000732249.db2.gz LYFZBCVZEVVLJW-RCZVLFRGSA-N 2 1 411.565 3.831 20 0 HHADMP Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000505410153 1000754125 /nfs/dbraw/zinc/75/41/25/1000754125.db2.gz RNDMNTHVNLCDQB-RPBOFIJWSA-N 2 1 403.570 3.517 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-n2cnc3ccccc32)cc1 ZINC000505737628 1001000461 /nfs/dbraw/zinc/00/04/61/1001000461.db2.gz GXYQBYCUCYDMJF-JOCHJYFZSA-N 2 1 419.573 3.514 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000505760284 1001009941 /nfs/dbraw/zinc/00/99/41/1001009941.db2.gz OPYGIXAKKOAVGT-VAMGGRTRSA-N 2 1 411.512 3.683 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000505760282 1001010136 /nfs/dbraw/zinc/01/01/36/1001010136.db2.gz OPYGIXAKKOAVGT-AQNXPRMDSA-N 2 1 411.512 3.683 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1csc(-c2ccc(C)cc2)n1 ZINC000505800590 1001033156 /nfs/dbraw/zinc/03/31/56/1001033156.db2.gz CYAMLKNNLZQLPE-NRFANRHFSA-N 2 1 414.619 3.536 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc(-c2ccc(C)cc2C)n1 ZINC000505808740 1001037147 /nfs/dbraw/zinc/03/71/47/1001037147.db2.gz ZKYJWKIOGCPTHX-IBGZPJMESA-N 2 1 414.619 3.915 20 0 HHADMP C[C@H]1C[NH+](Cc2ccc(C(=O)NCCC[N@H+](C)Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000505883495 1001078808 /nfs/dbraw/zinc/07/88/08/1001078808.db2.gz BJANBJFBKWCHPK-SFTDATJTSA-N 2 1 409.574 3.548 20 0 HHADMP C[C@H]1C[NH+](Cc2ccc(C(=O)NCCC[N@@H+](C)Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000505883495 1001078815 /nfs/dbraw/zinc/07/88/15/1001078815.db2.gz BJANBJFBKWCHPK-SFTDATJTSA-N 2 1 409.574 3.548 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000505925973 1001105986 /nfs/dbraw/zinc/10/59/86/1001105986.db2.gz ZHHZAXLRKZIOPI-IRLDBZIGSA-N 2 1 415.647 3.962 20 0 HHADMP COc1ccc(CCC[N@@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000497488867 1001396382 /nfs/dbraw/zinc/39/63/82/1001396382.db2.gz KPTWNPKETKPUNP-UHFFFAOYSA-N 2 1 423.601 3.649 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000497502918 1001406357 /nfs/dbraw/zinc/40/63/57/1001406357.db2.gz IWAPOMUIRFGXFL-GMAHTHKFSA-N 2 1 410.562 3.537 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000497502918 1001406360 /nfs/dbraw/zinc/40/63/60/1001406360.db2.gz IWAPOMUIRFGXFL-GMAHTHKFSA-N 2 1 410.562 3.537 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000497502918 1001406365 /nfs/dbraw/zinc/40/63/65/1001406365.db2.gz IWAPOMUIRFGXFL-GMAHTHKFSA-N 2 1 410.562 3.537 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000497502918 1001406368 /nfs/dbraw/zinc/40/63/68/1001406368.db2.gz IWAPOMUIRFGXFL-GMAHTHKFSA-N 2 1 410.562 3.537 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497565956 1001438206 /nfs/dbraw/zinc/43/82/06/1001438206.db2.gz GZHIQXSIYRLRAN-RDPSFJRHSA-N 2 1 412.622 3.851 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000497614449 1001459358 /nfs/dbraw/zinc/45/93/58/1001459358.db2.gz VZOGTBVZOALAJJ-BWKNWUBXSA-N 2 1 420.601 3.780 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000497614449 1001459360 /nfs/dbraw/zinc/45/93/60/1001459360.db2.gz VZOGTBVZOALAJJ-BWKNWUBXSA-N 2 1 420.601 3.780 20 0 HHADMP CN(C(=O)N[C@@H](C[NH+]1CCc2ccccc2C1)C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000497617532 1001460433 /nfs/dbraw/zinc/46/04/33/1001460433.db2.gz QUXZXNZLWGWWPZ-KORDQABASA-N 2 1 412.622 3.726 20 0 HHADMP CN(C(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000497617532 1001460436 /nfs/dbraw/zinc/46/04/36/1001460436.db2.gz QUXZXNZLWGWWPZ-KORDQABASA-N 2 1 412.622 3.726 20 0 HHADMP CN(C(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000497617532 1001460439 /nfs/dbraw/zinc/46/04/39/1001460439.db2.gz QUXZXNZLWGWWPZ-KORDQABASA-N 2 1 412.622 3.726 20 0 HHADMP CS[C@@H]1CN(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C[C@@H]1[NH+](C)C ZINC000497651737 1001472903 /nfs/dbraw/zinc/47/29/03/1001472903.db2.gz LYHPUQJJXAWZSK-RBUKOAKNSA-N 2 1 401.580 3.564 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000506630542 1001476694 /nfs/dbraw/zinc/47/66/94/1001476694.db2.gz CCSFJHSHLVXKIP-REWPJTCUSA-N 2 1 400.611 3.934 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000506630542 1001476697 /nfs/dbraw/zinc/47/66/97/1001476697.db2.gz CCSFJHSHLVXKIP-REWPJTCUSA-N 2 1 400.611 3.934 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000506630542 1001476701 /nfs/dbraw/zinc/47/67/01/1001476701.db2.gz CCSFJHSHLVXKIP-REWPJTCUSA-N 2 1 400.611 3.934 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000506866267 1001572172 /nfs/dbraw/zinc/57/21/72/1001572172.db2.gz WDLHDNRFGLXDNP-NJDAHSKKSA-N 2 1 402.583 3.713 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+](C)C ZINC000506932686 1001600934 /nfs/dbraw/zinc/60/09/34/1001600934.db2.gz KSTJPYWHCVCUCN-URVUXULASA-N 2 1 416.610 3.594 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+](C)C ZINC000506932686 1001600936 /nfs/dbraw/zinc/60/09/36/1001600936.db2.gz KSTJPYWHCVCUCN-URVUXULASA-N 2 1 416.610 3.594 20 0 HHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000498291716 1001760244 /nfs/dbraw/zinc/76/02/44/1001760244.db2.gz IJGWXOMHDHZIMK-PKTZIBPZSA-N 2 1 400.611 3.934 20 0 HHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000498291716 1001760250 /nfs/dbraw/zinc/76/02/50/1001760250.db2.gz IJGWXOMHDHZIMK-PKTZIBPZSA-N 2 1 400.611 3.934 20 0 HHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000498291716 1001760255 /nfs/dbraw/zinc/76/02/55/1001760255.db2.gz IJGWXOMHDHZIMK-PKTZIBPZSA-N 2 1 400.611 3.934 20 0 HHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000498291715 1001760463 /nfs/dbraw/zinc/76/04/63/1001760463.db2.gz IJGWXOMHDHZIMK-GOTSBHOMSA-N 2 1 400.611 3.934 20 0 HHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000498291715 1001760468 /nfs/dbraw/zinc/76/04/68/1001760468.db2.gz IJGWXOMHDHZIMK-GOTSBHOMSA-N 2 1 400.611 3.934 20 0 HHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000498291715 1001760475 /nfs/dbraw/zinc/76/04/75/1001760475.db2.gz IJGWXOMHDHZIMK-GOTSBHOMSA-N 2 1 400.611 3.934 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC1 ZINC000498512001 1001934701 /nfs/dbraw/zinc/93/47/01/1001934701.db2.gz RSBBAORIZSAVBR-UHFFFAOYSA-N 2 1 403.636 3.820 20 0 HHADMP CN(CC1CC[NH+](C)CC1)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000507340969 1002009745 /nfs/dbraw/zinc/00/97/45/1002009745.db2.gz OTJWMZDUGNFTIY-UHFFFAOYSA-N 2 1 400.611 3.934 20 0 HHADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000507378237 1002034154 /nfs/dbraw/zinc/03/41/54/1002034154.db2.gz KBVNZIFSKDCFFE-DEOSSOPVSA-N 2 1 414.638 3.752 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CCC[NH+](C(C)C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498666333 1002060556 /nfs/dbraw/zinc/06/05/56/1002060556.db2.gz HMLVORJNZXZXST-SFTDATJTSA-N 2 1 408.537 3.614 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CCC[NH+](C(C)C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498666333 1002060567 /nfs/dbraw/zinc/06/05/67/1002060567.db2.gz HMLVORJNZXZXST-SFTDATJTSA-N 2 1 408.537 3.614 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CCC[N@@H+](C(C)C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498666333 1002060578 /nfs/dbraw/zinc/06/05/78/1002060578.db2.gz HMLVORJNZXZXST-SFTDATJTSA-N 2 1 408.537 3.614 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CCC[N@H+](C(C)C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498666333 1002060588 /nfs/dbraw/zinc/06/05/88/1002060588.db2.gz HMLVORJNZXZXST-SFTDATJTSA-N 2 1 408.537 3.614 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000498686838 1002074709 /nfs/dbraw/zinc/07/47/09/1002074709.db2.gz YIHCCFZGLNBOEF-BVYCBKJFSA-N 2 1 420.548 3.758 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000498686838 1002074722 /nfs/dbraw/zinc/07/47/22/1002074722.db2.gz YIHCCFZGLNBOEF-BVYCBKJFSA-N 2 1 420.548 3.758 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000498690003 1002077036 /nfs/dbraw/zinc/07/70/36/1002077036.db2.gz PNAHYQYPKKYKAG-FGZHOGPDSA-N 2 1 420.548 3.758 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000498690003 1002077045 /nfs/dbraw/zinc/07/70/45/1002077045.db2.gz PNAHYQYPKKYKAG-FGZHOGPDSA-N 2 1 420.548 3.758 20 0 HHADMP O=C(CCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)N1CCc2ccccc21 ZINC000507464071 1002085979 /nfs/dbraw/zinc/08/59/79/1002085979.db2.gz WJDXICYALWVVHJ-WXFUMESZSA-N 2 1 403.570 3.856 20 0 HHADMP C[NH+]1CCC(C)(C[NH2+][C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)cc2F)CC1 ZINC000507472742 1002091576 /nfs/dbraw/zinc/09/15/76/1002091576.db2.gz FQXKZWXKXMOUCK-NRFANRHFSA-N 2 1 422.541 3.779 20 0 HHADMP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498714418 1002097067 /nfs/dbraw/zinc/09/70/67/1002097067.db2.gz LGMVSNSZTXYGLX-PZJWPPBQSA-N 2 1 414.619 3.732 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000498717154 1002098901 /nfs/dbraw/zinc/09/89/01/1002098901.db2.gz LVTKGWOWBFAOCL-IFMALSPDSA-N 2 1 412.578 3.572 20 0 HHADMP C[C@@H](NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000498798963 1002183911 /nfs/dbraw/zinc/18/39/11/1002183911.db2.gz MHUAVBQMFLFMIV-JOCBIADPSA-N 2 1 403.533 3.664 20 0 HHADMP C[C@@H](NC(=O)[C@@H]1C[NH+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000498798963 1002183915 /nfs/dbraw/zinc/18/39/15/1002183915.db2.gz MHUAVBQMFLFMIV-JOCBIADPSA-N 2 1 403.533 3.664 20 0 HHADMP C[C@@H](NC(=O)[C@@H]1C[NH+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000498798963 1002183921 /nfs/dbraw/zinc/18/39/21/1002183921.db2.gz MHUAVBQMFLFMIV-JOCBIADPSA-N 2 1 403.533 3.664 20 0 HHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000498944810 1002343710 /nfs/dbraw/zinc/34/37/10/1002343710.db2.gz UOVZUNLECUELJH-ICSRJNTNSA-N 2 1 407.352 3.958 20 0 HHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000498944812 1002344768 /nfs/dbraw/zinc/34/47/68/1002344768.db2.gz UOVZUNLECUELJH-UYAOXDASSA-N 2 1 407.352 3.958 20 0 HHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(-c4ccccc4)cc3F)CC2)CC1 ZINC000507790214 1002346591 /nfs/dbraw/zinc/34/65/91/1002346591.db2.gz CAVBWHYADFMBGM-UHFFFAOYSA-N 2 1 409.549 3.869 20 0 HHADMP CCc1cc(N2CCC[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)ncn1 ZINC000499148872 1002532529 /nfs/dbraw/zinc/53/25/29/1002532529.db2.gz UIGFGNGJEOYEPU-YCAMKHIRSA-N 2 1 405.590 3.793 20 0 HHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccc(CN4CCOCC4)cc2)C3)cc1 ZINC000499157627 1002542674 /nfs/dbraw/zinc/54/26/74/1002542674.db2.gz QNUVFYAIYAOEEK-PBROBROCSA-N 2 1 405.586 3.804 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NCC3(C)CC[NH+](C)CC3)cc2)C1 ZINC000508047653 1002570145 /nfs/dbraw/zinc/57/01/45/1002570145.db2.gz AXRRHQCQXJDAMT-BGYRXZFFSA-N 2 1 400.611 3.696 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NCC2(C)CC[NH+](C)CC2)C1 ZINC000508054223 1002574907 /nfs/dbraw/zinc/57/49/07/1002574907.db2.gz SWYFOPUCYNHMSW-BGYRXZFFSA-N 2 1 400.611 3.696 20 0 HHADMP Fc1ccc(N2CCOCC2)c(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000499243666 1002637154 /nfs/dbraw/zinc/63/71/54/1002637154.db2.gz KSQFMBHDIWBSNA-JOZNFPNDSA-N 2 1 409.549 3.948 20 0 HHADMP Fc1ccc(N2CCOCC2)c(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000499243666 1002637158 /nfs/dbraw/zinc/63/71/58/1002637158.db2.gz KSQFMBHDIWBSNA-JOZNFPNDSA-N 2 1 409.549 3.948 20 0 HHADMP C[C@H](Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508714167 1003153888 /nfs/dbraw/zinc/15/38/88/1003153888.db2.gz UZXWIKYPWGYNNZ-OYDLWJJNSA-N 2 1 420.601 3.706 20 0 HHADMP C[C@H](Nc1ccc(C[NH+]2CCC[C@H](C(N)=O)C2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508714167 1003153899 /nfs/dbraw/zinc/15/38/99/1003153899.db2.gz UZXWIKYPWGYNNZ-OYDLWJJNSA-N 2 1 420.601 3.706 20 0 HHADMP C[C@H](Nc1ccc(C[NH+]2CCC[C@H](C(N)=O)C2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714167 1003153910 /nfs/dbraw/zinc/15/39/10/1003153910.db2.gz UZXWIKYPWGYNNZ-OYDLWJJNSA-N 2 1 420.601 3.706 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)N[C@H](C)[C@@H](c3ccccc3)[NH+](C)C)CC2)cc1 ZINC000508902799 1003338992 /nfs/dbraw/zinc/33/89/92/1003338992.db2.gz DUBUQGLUJDILCN-YKSBVNFPSA-N 2 1 424.589 3.604 20 0 HHADMP C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508904442 1003341592 /nfs/dbraw/zinc/34/15/92/1003341592.db2.gz ZOSWILATTAAMPE-CVDCTZTESA-N 2 1 412.553 3.734 20 0 HHADMP C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508904442 1003341604 /nfs/dbraw/zinc/34/16/04/1003341604.db2.gz ZOSWILATTAAMPE-CVDCTZTESA-N 2 1 412.553 3.734 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000508905475 1003342968 /nfs/dbraw/zinc/34/29/68/1003342968.db2.gz LEYYUIVXCMLXKI-HUVFLSCGSA-N 2 1 423.605 3.769 20 0 HHADMP Cc1c(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cnn1CC(C)C ZINC000500032799 1003356028 /nfs/dbraw/zinc/35/60/28/1003356028.db2.gz FTGBEKGAFRGKOI-UHFFFAOYSA-N 2 1 418.630 3.508 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000508963061 1003426471 /nfs/dbraw/zinc/42/64/71/1003426471.db2.gz KNACLDYPHDNPDM-UHFFFAOYSA-N 2 1 422.598 3.595 20 0 HHADMP CCC[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC000509039295 1003509171 /nfs/dbraw/zinc/50/91/71/1003509171.db2.gz PMFJMJFLIUTAAG-CEWLAPEOSA-N 2 1 407.002 3.849 20 0 HHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1 ZINC000509039295 1003509161 /nfs/dbraw/zinc/50/91/61/1003509161.db2.gz PMFJMJFLIUTAAG-CEWLAPEOSA-N 2 1 407.002 3.849 20 0 HHADMP CCC[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC000509039295 1003509177 /nfs/dbraw/zinc/50/91/77/1003509177.db2.gz PMFJMJFLIUTAAG-CEWLAPEOSA-N 2 1 407.002 3.849 20 0 HHADMP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000500574902 1003792591 /nfs/dbraw/zinc/79/25/91/1003792591.db2.gz XEDFHAMHQSIJAE-QHCPKHFHSA-N 2 1 424.589 3.606 20 0 HHADMP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000500574902 1003792598 /nfs/dbraw/zinc/79/25/98/1003792598.db2.gz XEDFHAMHQSIJAE-QHCPKHFHSA-N 2 1 424.589 3.606 20 0 HHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000500725670 1003923567 /nfs/dbraw/zinc/92/35/67/1003923567.db2.gz QSLNPGLTUAGOMG-FQEVSTJZSA-N 2 1 401.599 3.523 20 0 HHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000500780862 1003952289 /nfs/dbraw/zinc/95/22/89/1003952289.db2.gz SGUFQMCOOGBGDE-HXUWFJFHSA-N 2 1 415.626 3.840 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000500830049 1003988027 /nfs/dbraw/zinc/98/80/27/1003988027.db2.gz FQJORNPGLOREDH-HXUWFJFHSA-N 2 1 401.599 3.594 20 0 HHADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(c3ccc(Br)cc3)CCOCC2)s1 ZINC000512113371 1004032392 /nfs/dbraw/zinc/03/23/92/1004032392.db2.gz IONCZGFZZKMCOT-UHFFFAOYSA-N 2 1 424.408 3.805 20 0 HHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)C2)CC1 ZINC000512169435 1004073415 /nfs/dbraw/zinc/07/34/15/1004073415.db2.gz OOGMZBSPDBWGLX-IBGZPJMESA-N 2 1 410.562 3.792 20 0 HHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)C2)CC1 ZINC000512169435 1004073423 /nfs/dbraw/zinc/07/34/23/1004073423.db2.gz OOGMZBSPDBWGLX-IBGZPJMESA-N 2 1 410.562 3.792 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccccc3OCc3ccncc3)CC2)C[C@H](C)O1 ZINC000512177012 1004079809 /nfs/dbraw/zinc/07/98/09/1004079809.db2.gz BXDWWDDUJCTJKK-OYRHEFFESA-N 2 1 409.574 3.982 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccccc3OCc3ccccn3)CC2)C[C@H](C)O1 ZINC000512188416 1004090211 /nfs/dbraw/zinc/09/02/11/1004090211.db2.gz YIAHCEXIYJFNKK-OYRHEFFESA-N 2 1 409.574 3.982 20 0 HHADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000512214354 1004115711 /nfs/dbraw/zinc/11/57/11/1004115711.db2.gz SBQFBKYOWPOZBC-RBUKOAKNSA-N 2 1 410.562 3.934 20 0 HHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000512214354 1004115717 /nfs/dbraw/zinc/11/57/17/1004115717.db2.gz SBQFBKYOWPOZBC-RBUKOAKNSA-N 2 1 410.562 3.934 20 0 HHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000512214354 1004115723 /nfs/dbraw/zinc/11/57/23/1004115723.db2.gz SBQFBKYOWPOZBC-RBUKOAKNSA-N 2 1 410.562 3.934 20 0 HHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000512214354 1004115732 /nfs/dbraw/zinc/11/57/32/1004115732.db2.gz SBQFBKYOWPOZBC-RBUKOAKNSA-N 2 1 410.562 3.934 20 0 HHADMP C[C@@H](NC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000501041403 1004142993 /nfs/dbraw/zinc/14/29/93/1004142993.db2.gz XRRHTDRNXUULFN-HXUWFJFHSA-N 2 1 420.601 3.986 20 0 HHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N2CCC(OCc3ccccc3)CC2)CC1 ZINC000512259761 1004161941 /nfs/dbraw/zinc/16/19/41/1004161941.db2.gz KIABPLBIFKGRHA-UHFFFAOYSA-N 2 1 415.622 3.638 20 0 HHADMP C[C@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000512268734 1004169280 /nfs/dbraw/zinc/16/92/80/1004169280.db2.gz TUVICOPUKMMQQM-CEXWTWQISA-N 2 1 400.567 3.701 20 0 HHADMP O[C@@H](COc1cccc2[nH]ccc21)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512271581 1004172138 /nfs/dbraw/zinc/17/21/38/1004172138.db2.gz UWMZRXQSZYVOHY-BWKNWUBXSA-N 2 1 405.542 3.506 20 0 HHADMP O[C@@H](COc1cccc2[nH]ccc21)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512271581 1004172148 /nfs/dbraw/zinc/17/21/48/1004172148.db2.gz UWMZRXQSZYVOHY-BWKNWUBXSA-N 2 1 405.542 3.506 20 0 HHADMP O[C@@H](COc1cccc2[nH]ccc21)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512271581 1004172157 /nfs/dbraw/zinc/17/21/57/1004172157.db2.gz UWMZRXQSZYVOHY-BWKNWUBXSA-N 2 1 405.542 3.506 20 0 HHADMP O[C@@H](COc1cccc2[nH]ccc21)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512271581 1004172163 /nfs/dbraw/zinc/17/21/63/1004172163.db2.gz UWMZRXQSZYVOHY-BWKNWUBXSA-N 2 1 405.542 3.506 20 0 HHADMP O[C@@H](COc1ccccc1Cl)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512279228 1004180335 /nfs/dbraw/zinc/18/03/35/1004180335.db2.gz RVVYATSJDVNUNV-OFNKIYASSA-N 2 1 400.950 3.678 20 0 HHADMP O[C@@H](COc1ccccc1Cl)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512279228 1004180342 /nfs/dbraw/zinc/18/03/42/1004180342.db2.gz RVVYATSJDVNUNV-OFNKIYASSA-N 2 1 400.950 3.678 20 0 HHADMP O[C@@H](COc1ccccc1Cl)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512279228 1004180350 /nfs/dbraw/zinc/18/03/50/1004180350.db2.gz RVVYATSJDVNUNV-OFNKIYASSA-N 2 1 400.950 3.678 20 0 HHADMP O[C@@H](COc1ccccc1Cl)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512279228 1004180364 /nfs/dbraw/zinc/18/03/64/1004180364.db2.gz RVVYATSJDVNUNV-OFNKIYASSA-N 2 1 400.950 3.678 20 0 HHADMP CCC[N@H+](CC(=O)N(C)CC1CCCCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512282080 1004184520 /nfs/dbraw/zinc/18/45/20/1004184520.db2.gz TUDFNMTVSNYKRC-UHFFFAOYSA-N 2 1 415.626 3.813 20 0 HHADMP CCC[N@@H+](CC(=O)N(C)CC1CCCCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512282080 1004184527 /nfs/dbraw/zinc/18/45/27/1004184527.db2.gz TUDFNMTVSNYKRC-UHFFFAOYSA-N 2 1 415.626 3.813 20 0 HHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000501086234 1004192194 /nfs/dbraw/zinc/19/21/94/1004192194.db2.gz JQPQUJQINIOIJN-ABSDTBQOSA-N 2 1 410.965 3.646 20 0 HHADMP CCC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000501086234 1004192196 /nfs/dbraw/zinc/19/21/96/1004192196.db2.gz JQPQUJQINIOIJN-ABSDTBQOSA-N 2 1 410.965 3.646 20 0 HHADMP CCC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000501086234 1004192199 /nfs/dbraw/zinc/19/21/99/1004192199.db2.gz JQPQUJQINIOIJN-ABSDTBQOSA-N 2 1 410.965 3.646 20 0 HHADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000501114029 1004214210 /nfs/dbraw/zinc/21/42/10/1004214210.db2.gz VWRSWVVWYHZDFH-VXKWHMMOSA-N 2 1 420.601 3.929 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1)c1ccsc1 ZINC000501134322 1004225922 /nfs/dbraw/zinc/22/59/22/1004225922.db2.gz ZFHZPHFUUCPVEP-QFBILLFUSA-N 2 1 420.648 3.939 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1)c1ccsc1 ZINC000501134322 1004225933 /nfs/dbraw/zinc/22/59/33/1004225933.db2.gz ZFHZPHFUUCPVEP-QFBILLFUSA-N 2 1 420.648 3.939 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1)c1ccsc1 ZINC000501134319 1004226081 /nfs/dbraw/zinc/22/60/81/1004226081.db2.gz ZFHZPHFUUCPVEP-LPHOPBHVSA-N 2 1 420.648 3.939 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1)c1ccsc1 ZINC000501134319 1004226090 /nfs/dbraw/zinc/22/60/90/1004226090.db2.gz ZFHZPHFUUCPVEP-LPHOPBHVSA-N 2 1 420.648 3.939 20 0 HHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccccc2-c2ccnn2C)CC1 ZINC000509954580 1004229478 /nfs/dbraw/zinc/22/94/78/1004229478.db2.gz KDVXLAYZNRNNRI-UHFFFAOYSA-N 2 1 403.574 3.514 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000501172978 1004253613 /nfs/dbraw/zinc/25/36/13/1004253613.db2.gz JNSYTBJDUSLUMB-LEWJYISDSA-N 2 1 400.592 3.705 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C[NH+]1Cc1ccccc1 ZINC000512393807 1004266917 /nfs/dbraw/zinc/26/69/17/1004266917.db2.gz VYNVOJOFMCWRGE-MZYLBHOOSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C[N@@H+]1Cc1ccccc1 ZINC000512393807 1004266935 /nfs/dbraw/zinc/26/69/35/1004266935.db2.gz VYNVOJOFMCWRGE-MZYLBHOOSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C[N@H+]1Cc1ccccc1 ZINC000512393807 1004266942 /nfs/dbraw/zinc/26/69/42/1004266942.db2.gz VYNVOJOFMCWRGE-MZYLBHOOSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@H]1C[C@@H](CCNC(=O)N2CCC(Cc3nccn3C)CC2)C[N@H+]1Cc1ccccc1 ZINC000512418553 1004284395 /nfs/dbraw/zinc/28/43/95/1004284395.db2.gz PJAHEMMBXYQHRV-NZQKXSOJSA-N 2 1 423.605 3.685 20 0 HHADMP C[C@H]1C[C@@H](CCNC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512418553 1004284404 /nfs/dbraw/zinc/28/44/04/1004284404.db2.gz PJAHEMMBXYQHRV-NZQKXSOJSA-N 2 1 423.605 3.685 20 0 HHADMP C[C@H]1C[C@@H](CCNC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)C[N@H+]1Cc1ccccc1 ZINC000512418553 1004284413 /nfs/dbraw/zinc/28/44/13/1004284413.db2.gz PJAHEMMBXYQHRV-NZQKXSOJSA-N 2 1 423.605 3.685 20 0 HHADMP CCCOc1ccc(OCC[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512420365 1004286074 /nfs/dbraw/zinc/28/60/74/1004286074.db2.gz KIPPITDWANVEBZ-DEOSSOPVSA-N 2 1 423.601 3.746 20 0 HHADMP CCCOc1ccc(OCC[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512420365 1004286080 /nfs/dbraw/zinc/28/60/80/1004286080.db2.gz KIPPITDWANVEBZ-DEOSSOPVSA-N 2 1 423.601 3.746 20 0 HHADMP CC[C@H](CNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000501357181 1004364442 /nfs/dbraw/zinc/36/44/42/1004364442.db2.gz JNDKOVUHKMYTCQ-PKTZIBPZSA-N 2 1 412.553 3.565 20 0 HHADMP CC[C@@H](CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000501375359 1004375729 /nfs/dbraw/zinc/37/57/29/1004375729.db2.gz ALOJFCKPBFXUPO-OFNKIYASSA-N 2 1 400.611 3.635 20 0 HHADMP CC[C@@H](CNC(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000501375359 1004375738 /nfs/dbraw/zinc/37/57/38/1004375738.db2.gz ALOJFCKPBFXUPO-OFNKIYASSA-N 2 1 400.611 3.635 20 0 HHADMP CC[C@@H](CNC(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000501375359 1004375747 /nfs/dbraw/zinc/37/57/47/1004375747.db2.gz ALOJFCKPBFXUPO-OFNKIYASSA-N 2 1 400.611 3.635 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000501387922 1004383814 /nfs/dbraw/zinc/38/38/14/1004383814.db2.gz CBVGHGWTJJJSAR-DHWLSRIRSA-N 2 1 420.548 3.757 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000501387922 1004383824 /nfs/dbraw/zinc/38/38/24/1004383824.db2.gz CBVGHGWTJJJSAR-DHWLSRIRSA-N 2 1 420.548 3.757 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]Cc4ccccc4CN4CCOCC4)[C@@H]3C2)cc1 ZINC000512622783 1004436321 /nfs/dbraw/zinc/43/63/21/1004436321.db2.gz CCGPEGZDGYFEKD-OYUWMTPXSA-N 2 1 419.613 3.909 20 0 HHADMP CN(C)C(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512634556 1004446814 /nfs/dbraw/zinc/44/68/14/1004446814.db2.gz DOCRSMKSXKJTKE-QLBJFCOMSA-N 2 1 421.585 3.544 20 0 HHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)CC2)nc(C)n1 ZINC000512646886 1004458253 /nfs/dbraw/zinc/45/82/53/1004458253.db2.gz DXVFLLNVKUKELA-QLBJFCOMSA-N 2 1 419.617 3.953 20 0 HHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)CC2)nc(C)[nH+]1 ZINC000512646886 1004458258 /nfs/dbraw/zinc/45/82/58/1004458258.db2.gz DXVFLLNVKUKELA-QLBJFCOMSA-N 3 1 419.617 3.953 20 0 HHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)CC2)nc(C)[nH+]1 ZINC000512646886 1004458264 /nfs/dbraw/zinc/45/82/64/1004458264.db2.gz DXVFLLNVKUKELA-QLBJFCOMSA-N 3 1 419.617 3.953 20 0 HHADMP O=C(C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)Nc1ccc(F)c(F)c1F ZINC000512650360 1004461904 /nfs/dbraw/zinc/46/19/04/1004461904.db2.gz ZLVZGHNGHFKORM-ZIFCJYIRSA-N 2 1 417.475 3.933 20 0 HHADMP O=C(C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)Nc1ccc(F)c(F)c1F ZINC000512650360 1004461909 /nfs/dbraw/zinc/46/19/09/1004461909.db2.gz ZLVZGHNGHFKORM-ZIFCJYIRSA-N 2 1 417.475 3.933 20 0 HHADMP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000501503363 1004472295 /nfs/dbraw/zinc/47/22/95/1004472295.db2.gz PCMKDLWAZSPFBJ-ROUUACIJSA-N 2 1 407.002 3.724 20 0 HHADMP O=C1COc2ccccc2N1CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512661847 1004472858 /nfs/dbraw/zinc/47/28/58/1004472858.db2.gz USGQVUBHTVRHEZ-RJGXRXQPSA-N 2 1 419.569 3.692 20 0 HHADMP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)(N2CCCCC2)CC1 ZINC000512662578 1004473176 /nfs/dbraw/zinc/47/31/76/1004473176.db2.gz YPOKUVOUKHJUAF-UODIDJSMSA-N 3 1 424.677 3.827 20 0 HHADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000512687055 1004493852 /nfs/dbraw/zinc/49/38/52/1004493852.db2.gz LSWPXHKICAGUON-GOTSBHOMSA-N 2 1 400.655 3.635 20 0 HHADMP C[C@H]1C[C@H](CCNC(=O)NC2CCC(C[NH+](C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000510343707 1004495286 /nfs/dbraw/zinc/49/52/86/1004495286.db2.gz UEROMQHZDDSMPU-XXDDBKGRSA-N 2 1 400.611 3.707 20 0 HHADMP COc1ccc(NC(=O)CC[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000501535244 1004498690 /nfs/dbraw/zinc/49/86/90/1004498690.db2.gz FXZWKELZVNTUPJ-UHFFFAOYSA-N 2 1 416.953 3.921 20 0 HHADMP C[C@H](NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000512708690 1004508860 /nfs/dbraw/zinc/50/88/60/1004508860.db2.gz VFRDRIZOWYCNBF-FUPPJEDESA-N 2 1 412.622 3.945 20 0 HHADMP C[C@H](NC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512708690 1004508866 /nfs/dbraw/zinc/50/88/66/1004508866.db2.gz VFRDRIZOWYCNBF-FUPPJEDESA-N 2 1 412.622 3.945 20 0 HHADMP C[C@H](NC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512708690 1004508872 /nfs/dbraw/zinc/50/88/72/1004508872.db2.gz VFRDRIZOWYCNBF-FUPPJEDESA-N 2 1 412.622 3.945 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCCC[C@H]1C ZINC000501553741 1004511422 /nfs/dbraw/zinc/51/14/22/1004511422.db2.gz RPLMJMRYQIQUKO-MOPGFXCFSA-N 2 1 407.002 3.820 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCCC[C@H]1C ZINC000501553741 1004511430 /nfs/dbraw/zinc/51/14/30/1004511430.db2.gz RPLMJMRYQIQUKO-MOPGFXCFSA-N 2 1 407.002 3.820 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000501553741 1004511436 /nfs/dbraw/zinc/51/14/36/1004511436.db2.gz RPLMJMRYQIQUKO-MOPGFXCFSA-N 2 1 407.002 3.820 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000501553741 1004511443 /nfs/dbraw/zinc/51/14/43/1004511443.db2.gz RPLMJMRYQIQUKO-MOPGFXCFSA-N 2 1 407.002 3.820 20 0 HHADMP CCc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)[NH+](C)C)cc1 ZINC000510525341 1004654545 /nfs/dbraw/zinc/65/45/45/1004654545.db2.gz MWAPZZQVBROGHV-AAIMPIBUSA-N 2 1 400.611 3.804 20 0 HHADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501753790 1004683368 /nfs/dbraw/zinc/68/33/68/1004683368.db2.gz GLTLQKQWWPKNRI-DEOSSOPVSA-N 2 1 406.574 3.571 20 0 HHADMP C[C@@H](NC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)C1=CC[N@H+](C)CC1 ZINC000510568115 1004711824 /nfs/dbraw/zinc/71/18/24/1004711824.db2.gz CQEVVSYUXSZXIJ-MRXNPFEDSA-N 2 1 424.511 3.619 20 0 HHADMP C[C@@H](NC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)C1=CC[N@@H+](C)CC1 ZINC000510568115 1004711852 /nfs/dbraw/zinc/71/18/52/1004711852.db2.gz CQEVVSYUXSZXIJ-MRXNPFEDSA-N 2 1 424.511 3.619 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000501823776 1004759303 /nfs/dbraw/zinc/75/93/03/1004759303.db2.gz GQMUHIXPHVUECL-FUPPJEDESA-N 2 1 400.611 3.881 20 0 HHADMP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000513053931 1004780986 /nfs/dbraw/zinc/78/09/86/1004780986.db2.gz YTHRMBRBLMNGSX-UGKGYDQZSA-N 2 1 421.651 3.848 20 0 HHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000510929246 1004938460 /nfs/dbraw/zinc/93/84/60/1004938460.db2.gz DANRZGRUFQKKDL-OAQYLSRUSA-N 2 1 419.497 3.643 20 0 HHADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000513397652 1004943051 /nfs/dbraw/zinc/94/30/51/1004943051.db2.gz MTDIWJOTHZXMKC-RTWAWAEBSA-N 2 1 405.533 3.621 20 0 HHADMP COc1ccc2c(c1)C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C3CCOCC3)c1)CC2 ZINC000513400413 1004944759 /nfs/dbraw/zinc/94/47/59/1004944759.db2.gz YAUQZHBYZTTXAV-HSZRJFAPSA-N 2 1 424.585 3.832 20 0 HHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000513449680 1004971892 /nfs/dbraw/zinc/97/18/92/1004971892.db2.gz ZKBQZKNQHFGMKK-LAUBAEHRSA-N 2 1 401.348 3.793 20 0 HHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cn(-c4ccc(C)cc4)nc3C(C)(C)C)C2)CC1 ZINC000513452729 1004973465 /nfs/dbraw/zinc/97/34/65/1004973465.db2.gz ZXPZPPJMWROVIR-QHCPKHFHSA-N 2 1 409.622 3.690 20 0 HHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccc(Br)cc4)o3)C2)CC1 ZINC000513486404 1004986614 /nfs/dbraw/zinc/98/66/14/1004986614.db2.gz YBVINFAHBMTQSY-LJQANCHMSA-N 2 1 418.379 3.921 20 0 HHADMP C[N@H+]1CCN(CCC[NH2+][C@H](Cc2ccccn2)c2cccnc2)[C@H](c2ccccc2)C1 ZINC000513518439 1005001889 /nfs/dbraw/zinc/00/18/89/1005001889.db2.gz MKAUERKACIWYRE-FTJBHMTQSA-N 2 1 415.585 3.729 20 0 HHADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000511209995 1005075419 /nfs/dbraw/zinc/07/54/19/1005075419.db2.gz YBOSEQLLFTXRIK-HSZRJFAPSA-N 2 1 409.599 3.630 20 0 HHADMP COC(=O)c1csc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000513689330 1005082948 /nfs/dbraw/zinc/08/29/48/1005082948.db2.gz BNKAXWREKHJYFT-BBWFWOEESA-N 2 1 402.560 3.995 20 0 HHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCNC(=O)c2c(F)cccc2F)CC1 ZINC000513707959 1005090657 /nfs/dbraw/zinc/09/06/57/1005090657.db2.gz KVFMEDNQOQCZFO-UHFFFAOYSA-N 2 1 401.501 3.727 20 0 HHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000511250502 1005091121 /nfs/dbraw/zinc/09/11/21/1005091121.db2.gz NKQJUYCEBXQKRL-IRLDBZIGSA-N 2 1 400.611 3.721 20 0 HHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000511250505 1005091143 /nfs/dbraw/zinc/09/11/43/1005091143.db2.gz NKQJUYCEBXQKRL-UNMCSNQZSA-N 2 1 400.611 3.721 20 0 HHADMP Cc1[nH+]ccn1CCCC[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000511251309 1005091756 /nfs/dbraw/zinc/09/17/56/1005091756.db2.gz MIQHQGOINZATFB-UHFFFAOYSA-N 2 1 418.969 3.721 20 0 HHADMP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511267526 1005098593 /nfs/dbraw/zinc/09/85/93/1005098593.db2.gz IWNNZVORNUTGHO-UYAOXDASSA-N 2 1 404.574 3.552 20 0 HHADMP C[C@@H](NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511268189 1005099083 /nfs/dbraw/zinc/09/90/83/1005099083.db2.gz VOWKIQITSHKIMH-CTNGQTDRSA-N 2 1 413.610 3.592 20 0 HHADMP C[C@@H](NC(=O)N(CCCc1ccccc1)CC[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511309473 1005119197 /nfs/dbraw/zinc/11/91/97/1005119197.db2.gz ROGPGFFSLFBEPV-GGAORHGYSA-N 2 1 414.638 3.845 20 0 HHADMP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)C1 ZINC000502591173 1005130968 /nfs/dbraw/zinc/13/09/68/1005130968.db2.gz KZUNLIIBSHXFLC-FQEVSTJZSA-N 2 1 418.585 3.816 20 0 HHADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)C1 ZINC000502591173 1005130971 /nfs/dbraw/zinc/13/09/71/1005130971.db2.gz KZUNLIIBSHXFLC-FQEVSTJZSA-N 2 1 418.585 3.816 20 0 HHADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513818507 1005142889 /nfs/dbraw/zinc/14/28/89/1005142889.db2.gz DUFJZXFKAPNQOQ-IBGZPJMESA-N 2 1 401.595 3.573 20 0 HHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1 ZINC000511376114 1005146357 /nfs/dbraw/zinc/14/63/57/1005146357.db2.gz GDKARSCEBHRVHQ-PKTZIBPZSA-N 2 1 401.982 3.953 20 0 HHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000502719069 1005190585 /nfs/dbraw/zinc/19/05/85/1005190585.db2.gz APPBRGPXCSUTDS-UHFFFAOYSA-N 2 1 412.559 3.905 20 0 HHADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000502719069 1005190587 /nfs/dbraw/zinc/19/05/87/1005190587.db2.gz APPBRGPXCSUTDS-UHFFFAOYSA-N 2 1 412.559 3.905 20 0 HHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000502797248 1005222034 /nfs/dbraw/zinc/22/20/34/1005222034.db2.gz UNPSDIOWUAMYNL-GMAHTHKFSA-N 2 1 422.617 3.980 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000502801622 1005223846 /nfs/dbraw/zinc/22/38/46/1005223846.db2.gz ILIAYZULEIRTRJ-UHFFFAOYSA-N 2 1 400.611 3.635 20 0 HHADMP CCC[N@H+]1CC[C@H](CNC(=O)NCC2(CC)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000514013269 1005228325 /nfs/dbraw/zinc/22/83/25/1005228325.db2.gz LWRRKUDRPNITBG-JOCHJYFZSA-N 2 1 400.611 3.710 20 0 HHADMP C[C@@H]1CN([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c2c(F)cccc2Cl)CCO1 ZINC000514086549 1005259401 /nfs/dbraw/zinc/25/94/01/1005259401.db2.gz BEYQFDZQSZNIMS-HVXMAHFMSA-N 2 1 409.977 3.703 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCCC[NH+]1CCC[C@H](C)C1 ZINC000514094343 1005262472 /nfs/dbraw/zinc/26/24/72/1005262472.db2.gz KNKGOWXYXKPOGN-GMAHTHKFSA-N 2 1 415.626 3.590 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000514094343 1005262478 /nfs/dbraw/zinc/26/24/78/1005262478.db2.gz KNKGOWXYXKPOGN-GMAHTHKFSA-N 2 1 415.626 3.590 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000514094343 1005262483 /nfs/dbraw/zinc/26/24/83/1005262483.db2.gz KNKGOWXYXKPOGN-GMAHTHKFSA-N 2 1 415.626 3.590 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCCC[NH+]1CCC[C@@H](C)C1 ZINC000514094342 1005262669 /nfs/dbraw/zinc/26/26/69/1005262669.db2.gz KNKGOWXYXKPOGN-GGAORHGYSA-N 2 1 415.626 3.590 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000514094342 1005262670 /nfs/dbraw/zinc/26/26/70/1005262670.db2.gz KNKGOWXYXKPOGN-GGAORHGYSA-N 2 1 415.626 3.590 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000514094342 1005262671 /nfs/dbraw/zinc/26/26/71/1005262671.db2.gz KNKGOWXYXKPOGN-GGAORHGYSA-N 2 1 415.626 3.590 20 0 HHADMP COc1ccc(C[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)Cc2ccccc2)cc1 ZINC000511662313 1005266643 /nfs/dbraw/zinc/26/66/43/1005266643.db2.gz ATDAXZHBRFZTAT-UHFFFAOYSA-N 2 1 409.574 3.686 20 0 HHADMP COc1ccc(C[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)Cc2ccccc2)cc1 ZINC000511662313 1005266646 /nfs/dbraw/zinc/26/66/46/1005266646.db2.gz ATDAXZHBRFZTAT-UHFFFAOYSA-N 2 1 409.574 3.686 20 0 HHADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000511665368 1005267968 /nfs/dbraw/zinc/26/79/68/1005267968.db2.gz JMFDIPCBJUIUIB-UHFFFAOYSA-N 2 1 400.394 3.909 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)[NH+](C)C)cc1 ZINC000514168109 1005296616 /nfs/dbraw/zinc/29/66/16/1005296616.db2.gz UXKBSYVMXPJEQT-NHCUHLMSSA-N 2 1 402.970 3.853 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000514183306 1005301614 /nfs/dbraw/zinc/30/16/14/1005301614.db2.gz TZNKURFWRPQXSU-IEBWSBKVSA-N 2 1 403.596 3.662 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000503050635 1005328352 /nfs/dbraw/zinc/32/83/52/1005328352.db2.gz OHZBYUNPHREGHI-BHIFYINESA-N 2 1 424.614 3.774 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000503050635 1005328355 /nfs/dbraw/zinc/32/83/55/1005328355.db2.gz OHZBYUNPHREGHI-BHIFYINESA-N 2 1 424.614 3.774 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000503050635 1005328356 /nfs/dbraw/zinc/32/83/56/1005328356.db2.gz OHZBYUNPHREGHI-BHIFYINESA-N 2 1 424.614 3.774 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000503050635 1005328361 /nfs/dbraw/zinc/32/83/61/1005328361.db2.gz OHZBYUNPHREGHI-BHIFYINESA-N 2 1 424.614 3.774 20 0 HHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000503062650 1005333228 /nfs/dbraw/zinc/33/32/28/1005333228.db2.gz KLTVUAHNUPXRPD-UHFFFAOYSA-N 2 1 408.468 3.723 20 0 HHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000503062650 1005333232 /nfs/dbraw/zinc/33/32/32/1005333232.db2.gz KLTVUAHNUPXRPD-UHFFFAOYSA-N 2 1 408.468 3.723 20 0 HHADMP O=C(NCC[NH+]1CCCCC1)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000503090509 1005344728 /nfs/dbraw/zinc/34/47/28/1005344728.db2.gz QNJNPJPWURREAD-NRFANRHFSA-N 2 1 412.603 3.633 20 0 HHADMP O=C(NCC[NH+]1CCCCC1)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000503090509 1005344730 /nfs/dbraw/zinc/34/47/30/1005344730.db2.gz QNJNPJPWURREAD-NRFANRHFSA-N 2 1 412.603 3.633 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000503416835 1005414053 /nfs/dbraw/zinc/41/40/53/1005414053.db2.gz AUPLLXCLBXPTBS-XPNTWCBSSA-N 2 1 414.638 3.607 20 0 HHADMP CC(C)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000503462725 1005427700 /nfs/dbraw/zinc/42/77/00/1005427700.db2.gz BHZLPXYWFXNTPC-ZEQRLZLVSA-N 2 1 414.638 3.751 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[NH+](C)C ZINC000503486698 1005434710 /nfs/dbraw/zinc/43/47/10/1005434710.db2.gz KFUFWUJYHFRZEG-RBBKRZOGSA-N 2 1 416.610 3.596 20 0 HHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[NH+](CCc2cccs2)CC1)c1ccccc1 ZINC000503739522 1005488064 /nfs/dbraw/zinc/48/80/64/1005488064.db2.gz OXLMLVNNERDWII-IBGZPJMESA-N 2 1 414.619 3.747 20 0 HHADMP CC(C)[NH+](CCN(C)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000503957842 1005519224 /nfs/dbraw/zinc/51/92/24/1005519224.db2.gz AUJTVWAIAQSXAT-OYRHEFFESA-N 2 1 418.626 3.556 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000504174511 1005566814 /nfs/dbraw/zinc/56/68/14/1005566814.db2.gz AEOFQZMZCHSEKT-QPPBQGQZSA-N 2 1 406.574 3.739 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000504174511 1005566816 /nfs/dbraw/zinc/56/68/16/1005566816.db2.gz AEOFQZMZCHSEKT-QPPBQGQZSA-N 2 1 406.574 3.739 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000504174511 1005566818 /nfs/dbraw/zinc/56/68/18/1005566818.db2.gz AEOFQZMZCHSEKT-QPPBQGQZSA-N 2 1 406.574 3.739 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000531204103 1006044858 /nfs/dbraw/zinc/04/48/58/1006044858.db2.gz LYMJCNBNSHUTNN-OAQYLSRUSA-N 2 1 406.574 3.729 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000534248770 1006256280 /nfs/dbraw/zinc/25/62/80/1006256280.db2.gz ACPJUXPNRJEORY-OQRYQMPQSA-N 2 1 424.992 3.844 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000534248770 1006256288 /nfs/dbraw/zinc/25/62/88/1006256288.db2.gz ACPJUXPNRJEORY-OQRYQMPQSA-N 2 1 424.992 3.844 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000534248770 1006256292 /nfs/dbraw/zinc/25/62/92/1006256292.db2.gz ACPJUXPNRJEORY-OQRYQMPQSA-N 2 1 424.992 3.844 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)NCc2ccccc2OC2CCCC2)CC1 ZINC000531645490 1006325355 /nfs/dbraw/zinc/32/53/55/1006325355.db2.gz AINPNRUZUKWUQV-UHFFFAOYSA-N 2 1 401.595 3.676 20 0 HHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCSCCOc1cccc(Br)c1 ZINC000531715214 1006373978 /nfs/dbraw/zinc/37/39/78/1006373978.db2.gz ABCQMOUJVSHVRF-VKJFTORMSA-N 2 1 401.414 3.879 20 0 HHADMP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000531721236 1006378568 /nfs/dbraw/zinc/37/85/68/1006378568.db2.gz QFQAUGQIOXCBLB-CPJSRVTESA-N 2 1 409.574 3.754 20 0 HHADMP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000531721236 1006378576 /nfs/dbraw/zinc/37/85/76/1006378576.db2.gz QFQAUGQIOXCBLB-CPJSRVTESA-N 2 1 409.574 3.754 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000515291718 1006381828 /nfs/dbraw/zinc/38/18/28/1006381828.db2.gz HZZBHWGRFJEMRG-WIYYLYMNSA-N 2 1 400.954 3.516 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000515291718 1006381834 /nfs/dbraw/zinc/38/18/34/1006381834.db2.gz HZZBHWGRFJEMRG-WIYYLYMNSA-N 2 1 400.954 3.516 20 0 HHADMP C[NH+]1CCC([C@H]2CCN(C(=O)[C@@]3(C(F)(F)F)CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000534408909 1006384445 /nfs/dbraw/zinc/38/44/45/1006384445.db2.gz FBBHZMWNRFFNTQ-RBBKRZOGSA-N 2 1 423.523 3.631 20 0 HHADMP COc1ccc(-n2ccc(C[NH2+]Cc3ccccc3N(C)C3CC[NH+](C)CC3)n2)cc1 ZINC000531848199 1006468610 /nfs/dbraw/zinc/46/86/10/1006468610.db2.gz QMCLUXYJJDRDQN-UHFFFAOYSA-N 2 1 419.573 3.701 20 0 HHADMP COc1cc(C[C@@H](CO)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc(OC)c1 ZINC000531994967 1006566370 /nfs/dbraw/zinc/56/63/70/1006566370.db2.gz VWDWZCDPQGSLRF-YLJYHZDGSA-N 2 1 409.530 3.700 20 0 HHADMP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1OCc1cccs1 ZINC000532015409 1006577218 /nfs/dbraw/zinc/57/72/18/1006577218.db2.gz FVOAUDAWAFMPPF-LEWJYISDSA-N 2 1 416.587 3.803 20 0 HHADMP c1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)n(-c2ccccc2)n1 ZINC000515677236 1006584036 /nfs/dbraw/zinc/58/40/36/1006584036.db2.gz QOWOHZDABLLWNW-HSZRJFAPSA-N 2 1 416.569 3.891 20 0 HHADMP CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)[C@@H](C)c1cccc(O)c1 ZINC000538348215 1006614828 /nfs/dbraw/zinc/61/48/28/1006614828.db2.gz KSCDGJKQTSJJNA-NRFANRHFSA-N 2 1 409.574 3.818 20 0 HHADMP CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)[C@@H](C)c1cccc(O)c1 ZINC000538348215 1006614835 /nfs/dbraw/zinc/61/48/35/1006614835.db2.gz KSCDGJKQTSJJNA-NRFANRHFSA-N 2 1 409.574 3.818 20 0 HHADMP CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)[C@@H](C)c1cccc(O)c1 ZINC000538348215 1006614841 /nfs/dbraw/zinc/61/48/41/1006614841.db2.gz KSCDGJKQTSJJNA-NRFANRHFSA-N 2 1 409.574 3.818 20 0 HHADMP CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)[C@@H](C)c1cccc(O)c1 ZINC000538348215 1006614858 /nfs/dbraw/zinc/61/48/58/1006614858.db2.gz KSCDGJKQTSJJNA-NRFANRHFSA-N 2 1 409.574 3.818 20 0 HHADMP CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)[C@H](C)c1cccc(O)c1 ZINC000538348216 1006615030 /nfs/dbraw/zinc/61/50/30/1006615030.db2.gz KSCDGJKQTSJJNA-OAQYLSRUSA-N 2 1 409.574 3.818 20 0 HHADMP CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)[C@H](C)c1cccc(O)c1 ZINC000538348216 1006615036 /nfs/dbraw/zinc/61/50/36/1006615036.db2.gz KSCDGJKQTSJJNA-OAQYLSRUSA-N 2 1 409.574 3.818 20 0 HHADMP CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)[C@H](C)c1cccc(O)c1 ZINC000538348216 1006615044 /nfs/dbraw/zinc/61/50/44/1006615044.db2.gz KSCDGJKQTSJJNA-OAQYLSRUSA-N 2 1 409.574 3.818 20 0 HHADMP CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)[C@H](C)c1cccc(O)c1 ZINC000538348216 1006615050 /nfs/dbraw/zinc/61/50/50/1006615050.db2.gz KSCDGJKQTSJJNA-OAQYLSRUSA-N 2 1 409.574 3.818 20 0 HHADMP CC[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(OC)c(OC)c1 ZINC000532188402 1006706994 /nfs/dbraw/zinc/70/69/94/1006706994.db2.gz FCGMLKHFEBYSNP-OALUTQOASA-N 2 1 403.592 3.795 20 0 HHADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c(C)c1 ZINC000532188773 1006707682 /nfs/dbraw/zinc/70/76/82/1006707682.db2.gz XZVLAHKKFHQLGJ-TZIWHRDSSA-N 2 1 414.619 3.660 20 0 HHADMP CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000515832556 1006707746 /nfs/dbraw/zinc/70/77/46/1006707746.db2.gz ABZRUFULQCZOBV-HSZRJFAPSA-N 2 1 409.574 3.802 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000515841431 1006712394 /nfs/dbraw/zinc/71/23/94/1006712394.db2.gz WECGTAYLQKUJIT-OAQYLSRUSA-N 2 1 404.599 3.960 20 0 HHADMP C[C@@H](CNC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C[NH+]1CCCC1 ZINC000515876143 1006731964 /nfs/dbraw/zinc/73/19/64/1006731964.db2.gz MJIXWHOYOGROOU-QFIPXVFZSA-N 2 1 420.601 3.835 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)C1CCCCC1 ZINC000515913259 1006758248 /nfs/dbraw/zinc/75/82/48/1006758248.db2.gz WEIRLGMBMKQZKS-JOCHJYFZSA-N 2 1 422.564 3.739 20 0 HHADMP C[C@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000538553005 1006816381 /nfs/dbraw/zinc/81/63/81/1006816381.db2.gz YJZUMQMSVZXSSO-HFZDXXHNSA-N 2 1 423.601 3.765 20 0 HHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000532450570 1006893426 /nfs/dbraw/zinc/89/34/26/1006893426.db2.gz UMHYHMWMLSPYJJ-LQWHRVPQSA-N 2 1 412.544 3.536 20 0 HHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000532450572 1006893828 /nfs/dbraw/zinc/89/38/28/1006893828.db2.gz UMHYHMWMLSPYJJ-OPYAIIAOSA-N 2 1 412.544 3.536 20 0 HHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000538638728 1006909013 /nfs/dbraw/zinc/90/90/13/1006909013.db2.gz MLTQOOGAMNKSBY-SFHVURJKSA-N 2 1 400.485 3.829 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCC3(CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000534962177 1007010720 /nfs/dbraw/zinc/01/07/20/1007010720.db2.gz NSZDNZDHXAFVLE-HSZRJFAPSA-N 2 1 412.622 3.805 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000534962177 1007010733 /nfs/dbraw/zinc/01/07/33/1007010733.db2.gz NSZDNZDHXAFVLE-HSZRJFAPSA-N 2 1 412.622 3.805 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000534962177 1007010741 /nfs/dbraw/zinc/01/07/41/1007010741.db2.gz NSZDNZDHXAFVLE-HSZRJFAPSA-N 2 1 412.622 3.805 20 0 HHADMP Fc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)ccc1-n1cncn1 ZINC000538733039 1007014568 /nfs/dbraw/zinc/01/45/68/1007014568.db2.gz MJQRBZNOTLQVEU-XMMPIXPASA-N 2 1 405.521 3.895 20 0 HHADMP Fc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)ccc1-n1cncn1 ZINC000538733039 1007014583 /nfs/dbraw/zinc/01/45/83/1007014583.db2.gz MJQRBZNOTLQVEU-XMMPIXPASA-N 2 1 405.521 3.895 20 0 HHADMP Fc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)ccc1-n1cncn1 ZINC000538733039 1007014585 /nfs/dbraw/zinc/01/45/85/1007014585.db2.gz MJQRBZNOTLQVEU-XMMPIXPASA-N 2 1 405.521 3.895 20 0 HHADMP Fc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)ccc1-n1cncn1 ZINC000538733039 1007014601 /nfs/dbraw/zinc/01/46/01/1007014601.db2.gz MJQRBZNOTLQVEU-XMMPIXPASA-N 2 1 405.521 3.895 20 0 HHADMP O[C@H](COCc1cccs1)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534965418 1007016494 /nfs/dbraw/zinc/01/64/94/1007016494.db2.gz UVTIJVPCFBKKCP-NRFANRHFSA-N 2 1 400.588 3.614 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1cccc(OC)c1 ZINC000516333300 1007023451 /nfs/dbraw/zinc/02/34/51/1007023451.db2.gz PPNVWFLDAGEPAU-UPVQGACJSA-N 2 1 424.589 3.502 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534991203 1007051287 /nfs/dbraw/zinc/05/12/87/1007051287.db2.gz CLBLDTBDCKSYGA-OXFYSEKESA-N 2 1 410.965 3.503 20 0 HHADMP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534991203 1007051302 /nfs/dbraw/zinc/05/13/02/1007051302.db2.gz CLBLDTBDCKSYGA-OXFYSEKESA-N 2 1 410.965 3.503 20 0 HHADMP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534991203 1007051313 /nfs/dbraw/zinc/05/13/13/1007051313.db2.gz CLBLDTBDCKSYGA-OXFYSEKESA-N 2 1 410.965 3.503 20 0 HHADMP COc1ccc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1Br ZINC000535085291 1007099080 /nfs/dbraw/zinc/09/90/80/1007099080.db2.gz ICZPOZAFFLKKJU-HOTGVXAUSA-N 2 1 411.384 3.779 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)c2)C1 ZINC000535089649 1007103038 /nfs/dbraw/zinc/10/30/38/1007103038.db2.gz STPMTWGKKNIADQ-ICDZXHCJSA-N 2 1 421.585 3.641 20 0 HHADMP CC[N@@H+](CCC1CCN(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC1)CC1CC1 ZINC000538914501 1007198762 /nfs/dbraw/zinc/19/87/62/1007198762.db2.gz HETFRUISONYYJZ-UHFFFAOYSA-N 2 1 418.601 3.931 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)COc2ccccc2-c2ccccc2)CC1 ZINC000516625319 1007200746 /nfs/dbraw/zinc/20/07/46/1007200746.db2.gz CFOLRWCGSZZTMJ-UHFFFAOYSA-N 2 1 402.498 3.518 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cc(Cl)sc1Cl ZINC000538917908 1007202787 /nfs/dbraw/zinc/20/27/87/1007202787.db2.gz MXKAHUQEYPRQOX-CQSZACIVSA-N 2 1 407.411 3.612 20 0 HHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)N[C@@H](C)c3cccc4ccccc43)C2)CC1 ZINC000532986595 1007357766 /nfs/dbraw/zinc/35/77/66/1007357766.db2.gz FYULQXUKZDEANX-QZNHQXDQSA-N 2 1 422.617 3.506 20 0 HHADMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2cccc(NC(C)=O)c2)CC1)CC(C)C ZINC000539099433 1007387439 /nfs/dbraw/zinc/38/74/39/1007387439.db2.gz FUNYKBNNXWBWCY-UHFFFAOYSA-N 2 1 402.583 3.664 20 0 HHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2cccc(NC(C)=O)c2)CC1)CC(C)C ZINC000539099433 1007387448 /nfs/dbraw/zinc/38/74/48/1007387448.db2.gz FUNYKBNNXWBWCY-UHFFFAOYSA-N 2 1 402.583 3.664 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cc2cc3c(ccc4ccccc34)o2)CC1 ZINC000533118208 1007463746 /nfs/dbraw/zinc/46/37/46/1007463746.db2.gz GWGCCARYKPFAPM-UHFFFAOYSA-N 2 1 400.482 3.914 20 0 HHADMP CCC1(CNC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000533127635 1007469012 /nfs/dbraw/zinc/46/90/12/1007469012.db2.gz ISRVQCWYSOFWKN-QFIPXVFZSA-N 2 1 400.611 3.708 20 0 HHADMP CN1CC[C@@H]([NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000517226232 1007512132 /nfs/dbraw/zinc/51/21/32/1007512132.db2.gz HCDMAMQYBHOLKK-ZNZIZOMTSA-N 2 1 406.618 3.790 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(F)cc3C(F)(F)F)c2)C1 ZINC000533252900 1007571883 /nfs/dbraw/zinc/57/18/83/1007571883.db2.gz RNVIBMNJBRLZEH-SFHVURJKSA-N 2 1 423.454 3.832 20 0 HHADMP COc1ccccc1[C@@H]1CC[N@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000533288809 1007601374 /nfs/dbraw/zinc/60/13/74/1007601374.db2.gz CGYSAJRZGXKONQ-IFMALSPDSA-N 2 1 421.585 3.654 20 0 HHADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000535667896 1007686516 /nfs/dbraw/zinc/68/65/16/1007686516.db2.gz AAOKUURCKNKPRG-UHFFFAOYSA-N 2 1 405.340 3.695 20 0 HHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000517490489 1007714914 /nfs/dbraw/zinc/71/49/14/1007714914.db2.gz INKYDFJPDJPJEY-JOCHJYFZSA-N 2 1 404.574 3.744 20 0 HHADMP CC(C)[NH+](CCNC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000535700545 1007737178 /nfs/dbraw/zinc/73/71/78/1007737178.db2.gz LUUHTQVREJEQKN-YLJYHZDGSA-N 2 1 412.981 3.890 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)N2CCC[NH+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535700516 1007737420 /nfs/dbraw/zinc/73/74/20/1007737420.db2.gz NAZBWOMAJNEIKU-YLJYHZDGSA-N 2 1 424.992 3.988 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535700516 1007737428 /nfs/dbraw/zinc/73/74/28/1007737428.db2.gz NAZBWOMAJNEIKU-YLJYHZDGSA-N 2 1 424.992 3.988 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535700516 1007737438 /nfs/dbraw/zinc/73/74/38/1007737438.db2.gz NAZBWOMAJNEIKU-YLJYHZDGSA-N 2 1 424.992 3.988 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@H](C[NH+]4CCCCCC4)C3)CC2)cs1 ZINC000517565990 1007773358 /nfs/dbraw/zinc/77/33/58/1007773358.db2.gz HZYFIUYZAWFROG-HXUWFJFHSA-N 2 1 418.651 3.778 20 0 HHADMP CCCN(C(=O)NC[C@@H](C)Cn1cc[nH+]c1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000517569194 1007775395 /nfs/dbraw/zinc/77/53/95/1007775395.db2.gz IRVJJDSENJYMEJ-OFNKIYASSA-N 2 1 411.594 3.914 20 0 HHADMP CCCN(C(=O)NC[C@@H](C)Cn1cc[nH+]c1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000517569194 1007775408 /nfs/dbraw/zinc/77/54/08/1007775408.db2.gz IRVJJDSENJYMEJ-OFNKIYASSA-N 2 1 411.594 3.914 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCCCc2nc3ccccc3s2)CC1 ZINC000517651134 1007863741 /nfs/dbraw/zinc/86/37/41/1007863741.db2.gz YBTUATARZMGWDS-UHFFFAOYSA-N 2 1 409.559 3.795 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC000517651092 1007863772 /nfs/dbraw/zinc/86/37/72/1007863772.db2.gz SPCUJQUBNJETFW-JKSUJKDBSA-N 2 1 404.436 3.594 20 0 HHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000517659609 1007871920 /nfs/dbraw/zinc/87/19/20/1007871920.db2.gz WWISGYUNCFVPFG-QFIPXVFZSA-N 2 1 410.562 3.803 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000539628810 1007945593 /nfs/dbraw/zinc/94/55/93/1007945593.db2.gz VSSQWIGXXVRTOT-LVXARBLLSA-N 2 1 419.617 3.936 20 0 HHADMP CN(C(=O)NCc1cc2ccccc2o1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000533665974 1007981001 /nfs/dbraw/zinc/98/10/01/1007981001.db2.gz XDDPMRYMWHRTES-VXKWHMMOSA-N 2 1 412.578 3.911 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000517884056 1008028580 /nfs/dbraw/zinc/02/85/80/1008028580.db2.gz XPEWMOYKTXBXTH-UXHICEINSA-N 2 1 406.640 3.941 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2c(C(C)C)nc3sc(C)nn23)CC1 ZINC000539849272 1008138104 /nfs/dbraw/zinc/13/81/04/1008138104.db2.gz DETNUAOXINYBEO-UHFFFAOYSA-N 2 1 407.628 3.793 20 0 HHADMP CCCCCOc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)ccc1OC ZINC000539863392 1008148478 /nfs/dbraw/zinc/14/84/78/1008148478.db2.gz ZOAAFBPBDWIYLT-JOCHJYFZSA-N 2 1 403.611 3.865 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C[NH+]1Cc1ccccc1 ZINC000533847012 1008154131 /nfs/dbraw/zinc/15/41/31/1008154131.db2.gz FXARSSFQZALBNF-ZILOHOTNSA-N 2 1 406.574 3.773 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C[NH+]1Cc1ccccc1 ZINC000533847012 1008154136 /nfs/dbraw/zinc/15/41/36/1008154136.db2.gz FXARSSFQZALBNF-ZILOHOTNSA-N 2 1 406.574 3.773 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC000533847012 1008154141 /nfs/dbraw/zinc/15/41/41/1008154141.db2.gz FXARSSFQZALBNF-ZILOHOTNSA-N 2 1 406.574 3.773 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000533847012 1008154145 /nfs/dbraw/zinc/15/41/45/1008154145.db2.gz FXARSSFQZALBNF-ZILOHOTNSA-N 2 1 406.574 3.773 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)[C@@H]1c1ccccc1 ZINC000533893436 1008186937 /nfs/dbraw/zinc/18/69/37/1008186937.db2.gz WMZXCTFGGUXMOZ-VXKWHMMOSA-N 2 1 412.603 3.705 20 0 HHADMP C[C@H](CNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000539946199 1008199299 /nfs/dbraw/zinc/19/92/99/1008199299.db2.gz JEAVJMHWGANVSN-OAQYLSRUSA-N 2 1 423.605 3.850 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)[C@H]1c1ccccc1 ZINC000533927963 1008210835 /nfs/dbraw/zinc/21/08/35/1008210835.db2.gz KOVFZFXPXSJRNB-XZOQPEGZSA-N 2 1 410.537 3.535 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)[C@@H]1c1ccccc1 ZINC000533927959 1008210953 /nfs/dbraw/zinc/21/09/53/1008210953.db2.gz KOVFZFXPXSJRNB-GOTSBHOMSA-N 2 1 410.537 3.535 20 0 HHADMP C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540044088 1008253211 /nfs/dbraw/zinc/25/32/11/1008253211.db2.gz PXOBLBURDWLRLL-SFHVURJKSA-N 2 1 414.981 3.978 20 0 HHADMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1)CC1CC1 ZINC000540049050 1008258048 /nfs/dbraw/zinc/25/80/48/1008258048.db2.gz AGOWUYYXZJVCPS-UHFFFAOYSA-N 2 1 423.399 3.617 20 0 HHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1)CC1CC1 ZINC000540049050 1008258050 /nfs/dbraw/zinc/25/80/50/1008258050.db2.gz AGOWUYYXZJVCPS-UHFFFAOYSA-N 2 1 423.399 3.617 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)[C@H](C)C1 ZINC000540166345 1008318898 /nfs/dbraw/zinc/31/88/98/1008318898.db2.gz BSIAYKVNKGJMAY-APWZRJJASA-N 2 1 406.958 3.659 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)cc1 ZINC000540182041 1008325727 /nfs/dbraw/zinc/32/57/27/1008325727.db2.gz BDHSOIZXKFCVMF-RXVVDRJESA-N 2 1 404.514 3.511 20 0 HHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(Br)cc2F)c2cccs2)CC1 ZINC000518748786 1008412987 /nfs/dbraw/zinc/41/29/87/1008412987.db2.gz BOLLBTRUPLHFHJ-QGZVFWFLSA-N 2 1 412.372 3.728 20 0 HHADMP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000518840782 1008440668 /nfs/dbraw/zinc/44/06/68/1008440668.db2.gz HKGRFKWVBLHWJN-NRFANRHFSA-N 2 1 407.002 3.678 20 0 HHADMP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000518840782 1008440671 /nfs/dbraw/zinc/44/06/71/1008440671.db2.gz HKGRFKWVBLHWJN-NRFANRHFSA-N 2 1 407.002 3.678 20 0 HHADMP C[C@H](CNC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCc2sccc2C1 ZINC000519269684 1008678085 /nfs/dbraw/zinc/67/80/85/1008678085.db2.gz LHCNLHNWLDVRKP-LQWHRVPQSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@H](CNC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCc2sccc2C1 ZINC000519269684 1008678091 /nfs/dbraw/zinc/67/80/91/1008678091.db2.gz LHCNLHNWLDVRKP-LQWHRVPQSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@H](CNC(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1)[N@@H+]1CCc2sccc2C1 ZINC000519269684 1008678095 /nfs/dbraw/zinc/67/80/95/1008678095.db2.gz LHCNLHNWLDVRKP-LQWHRVPQSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@H](CNC(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1)[N@H+]1CCc2sccc2C1 ZINC000519269684 1008678100 /nfs/dbraw/zinc/67/81/00/1008678100.db2.gz LHCNLHNWLDVRKP-LQWHRVPQSA-N 2 1 412.603 3.629 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)c1ccco1 ZINC000519304997 1008717198 /nfs/dbraw/zinc/71/71/98/1008717198.db2.gz ZLEUIRAANWDQLP-OAQYLSRUSA-N 2 1 412.578 3.799 20 0 HHADMP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000543152949 1008726616 /nfs/dbraw/zinc/72/66/16/1008726616.db2.gz QUEMXQGASMBAJK-RPBOFIJWSA-N 2 1 421.585 3.692 20 0 HHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000543152949 1008726624 /nfs/dbraw/zinc/72/66/24/1008726624.db2.gz QUEMXQGASMBAJK-RPBOFIJWSA-N 2 1 421.585 3.692 20 0 HHADMP Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000545868446 1008957445 /nfs/dbraw/zinc/95/74/45/1008957445.db2.gz MZGWSKGSZJFJCF-KPZWWZAWSA-N 2 1 410.381 3.598 20 0 HHADMP Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000545868446 1008957453 /nfs/dbraw/zinc/95/74/53/1008957453.db2.gz MZGWSKGSZJFJCF-KPZWWZAWSA-N 2 1 410.381 3.598 20 0 HHADMP COc1cccc2c1CCC[C@@H]2[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000519862932 1009039419 /nfs/dbraw/zinc/03/94/19/1009039419.db2.gz JEAAZKMLSRZTJV-REWPJTCUSA-N 2 1 407.558 3.560 20 0 HHADMP COc1cccc2c1CCC[C@H]2[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000519862929 1009040214 /nfs/dbraw/zinc/04/02/14/1009040214.db2.gz JEAAZKMLSRZTJV-NZQKXSOJSA-N 2 1 407.558 3.560 20 0 HHADMP Cc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(Br)c1 ZINC000543458851 1009042192 /nfs/dbraw/zinc/04/21/92/1009042192.db2.gz MPOPVEBMVASBSY-HZPDHXFCSA-N 2 1 408.384 3.939 20 0 HHADMP Cc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(Br)c1 ZINC000543458851 1009042205 /nfs/dbraw/zinc/04/22/05/1009042205.db2.gz MPOPVEBMVASBSY-HZPDHXFCSA-N 2 1 408.384 3.939 20 0 HHADMP C[NH+](C)C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000549453471 1009044326 /nfs/dbraw/zinc/04/43/26/1009044326.db2.gz CKSUFZBWSHCMFO-SFTDATJTSA-N 2 1 400.954 3.516 20 0 HHADMP CCOc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1OCC ZINC000543461554 1009048184 /nfs/dbraw/zinc/04/81/84/1009048184.db2.gz KMVBRFXOCGCNEM-ZWKOTPCHSA-N 2 1 403.567 3.665 20 0 HHADMP CCOc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OCC ZINC000543461554 1009048199 /nfs/dbraw/zinc/04/81/99/1009048199.db2.gz KMVBRFXOCGCNEM-ZWKOTPCHSA-N 2 1 403.567 3.665 20 0 HHADMP Brc1ccc(-c2nc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)co2)cc1 ZINC000519941115 1009094385 /nfs/dbraw/zinc/09/43/85/1009094385.db2.gz YZNFWRPGYIKXGJ-UHFFFAOYSA-N 2 1 420.351 3.648 20 0 HHADMP CCC[N@H+](C[C@H](O)Cc1ccc(F)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000549526967 1009137006 /nfs/dbraw/zinc/13/70/06/1009137006.db2.gz GOLHTNMISWTGMV-JOCHJYFZSA-N 2 1 400.542 3.517 20 0 HHADMP CCC[N@@H+](C[C@H](O)Cc1ccc(F)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000549526967 1009137011 /nfs/dbraw/zinc/13/70/11/1009137011.db2.gz GOLHTNMISWTGMV-JOCHJYFZSA-N 2 1 400.542 3.517 20 0 HHADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C)CC1 ZINC000520043427 1009203587 /nfs/dbraw/zinc/20/35/87/1009203587.db2.gz BDLNKDUFGRCPPS-SFHVURJKSA-N 2 1 403.567 3.553 20 0 HHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C)CC1 ZINC000520043427 1009203598 /nfs/dbraw/zinc/20/35/98/1009203598.db2.gz BDLNKDUFGRCPPS-SFHVURJKSA-N 2 1 403.567 3.553 20 0 HHADMP C[N@H+]1CCN(CCC[NH2+][C@H](c2ccccc2)c2cncnc2)[C@@H](c2ccccc2)C1 ZINC000543603669 1009208993 /nfs/dbraw/zinc/20/89/93/1009208993.db2.gz JVICSMQGMSJGPA-JWQCQUIFSA-N 2 1 401.558 3.534 20 0 HHADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000543639403 1009243206 /nfs/dbraw/zinc/24/32/06/1009243206.db2.gz ITULZIVSARFXLX-VQTJNVASSA-N 2 1 400.611 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000520111932 1009268157 /nfs/dbraw/zinc/26/81/57/1009268157.db2.gz MMKWHELHIVQRSA-VWPQPMDRSA-N 2 1 403.586 3.912 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000520111932 1009268168 /nfs/dbraw/zinc/26/81/68/1009268168.db2.gz MMKWHELHIVQRSA-VWPQPMDRSA-N 2 1 403.586 3.912 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000520111932 1009268182 /nfs/dbraw/zinc/26/81/82/1009268182.db2.gz MMKWHELHIVQRSA-VWPQPMDRSA-N 2 1 403.586 3.912 20 0 HHADMP CC(C)(C)[N@H+]1CCCN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000520215331 1009346965 /nfs/dbraw/zinc/34/69/65/1009346965.db2.gz BVWZCDLNUPQPLG-HXUWFJFHSA-N 2 1 407.002 3.993 20 0 HHADMP CC(C)[N@@H+](Cc1ccc(NC(=O)N2CC[NH+](C3CC3)CC2)cc1)C[C@H]1CCCCO1 ZINC000543818798 1009379972 /nfs/dbraw/zinc/37/99/72/1009379972.db2.gz LQTGUOADYOBLHD-HSZRJFAPSA-N 2 1 414.594 3.778 20 0 HHADMP CC(C)[N@H+](Cc1ccc(NC(=O)N2CC[NH+](C3CC3)CC2)cc1)C[C@H]1CCCCO1 ZINC000543818798 1009379985 /nfs/dbraw/zinc/37/99/85/1009379985.db2.gz LQTGUOADYOBLHD-HSZRJFAPSA-N 2 1 414.594 3.778 20 0 HHADMP CCO[C@@H]1C[C@H]([N@@H+](C)CC2(C[NH+](C)[C@H]3C[C@H](OCC)C34CCC4)COC2)C12CCC2 ZINC000543859941 1009426208 /nfs/dbraw/zinc/42/62/08/1009426208.db2.gz KURIAZDCAZAZHE-MYGLTJDJSA-N 2 1 420.638 3.562 20 0 HHADMP CCO[C@@H]1C[C@H]([NH+](C)CC2(C[N@H+](C)[C@H]3C[C@H](OCC)C34CCC4)COC2)C12CCC2 ZINC000543859941 1009426214 /nfs/dbraw/zinc/42/62/14/1009426214.db2.gz KURIAZDCAZAZHE-MYGLTJDJSA-N 2 1 420.638 3.562 20 0 HHADMP CCO[C@@H]1C[C@H]([NH+](C)CC2(C[N@@H+](C)[C@H]3C[C@H](OCC)C34CCC4)COC2)C12CCC2 ZINC000543859941 1009426231 /nfs/dbraw/zinc/42/62/31/1009426231.db2.gz KURIAZDCAZAZHE-MYGLTJDJSA-N 2 1 420.638 3.562 20 0 HHADMP C[C@H]1C[NH+](Cc2ccc(C(=O)NCCCCC[NH+]3CCCCC3)cc2)C[C@H](C)O1 ZINC000520337505 1009471322 /nfs/dbraw/zinc/47/13/22/1009471322.db2.gz YCMRQPUYJSJMKZ-SFTDATJTSA-N 2 1 401.595 3.682 20 0 HHADMP C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000543907638 1009492701 /nfs/dbraw/zinc/49/27/01/1009492701.db2.gz SKAUDDZWIWXJOG-RTBURBONSA-N 2 1 410.965 3.786 20 0 HHADMP C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000543907638 1009492714 /nfs/dbraw/zinc/49/27/14/1009492714.db2.gz SKAUDDZWIWXJOG-RTBURBONSA-N 2 1 410.965 3.786 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1F ZINC000520390895 1009527588 /nfs/dbraw/zinc/52/75/88/1009527588.db2.gz JYWBNAYHPOGYGS-QGZVFWFLSA-N 2 1 409.509 3.640 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1F ZINC000520390895 1009527603 /nfs/dbraw/zinc/52/76/03/1009527603.db2.gz JYWBNAYHPOGYGS-QGZVFWFLSA-N 2 1 409.509 3.640 20 0 HHADMP C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000549999372 1009598643 /nfs/dbraw/zinc/59/86/43/1009598643.db2.gz DFFOGOWEADRQSL-MWIHYIROSA-N 2 1 407.533 3.551 20 0 HHADMP C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000549999372 1009598650 /nfs/dbraw/zinc/59/86/50/1009598650.db2.gz DFFOGOWEADRQSL-MWIHYIROSA-N 2 1 407.533 3.551 20 0 HHADMP C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000549999372 1009598652 /nfs/dbraw/zinc/59/86/52/1009598652.db2.gz DFFOGOWEADRQSL-MWIHYIROSA-N 2 1 407.533 3.551 20 0 HHADMP C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000549999372 1009598656 /nfs/dbraw/zinc/59/86/56/1009598656.db2.gz DFFOGOWEADRQSL-MWIHYIROSA-N 2 1 407.533 3.551 20 0 HHADMP CCC[NH+]1CCC[C@@H]1C(=O)Nc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000544041171 1009643003 /nfs/dbraw/zinc/64/30/03/1009643003.db2.gz ABTQMTCBPTUKFF-BVYCBKJFSA-N 2 1 414.594 3.551 20 0 HHADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H](C)c1ccccc1NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000544041171 1009643010 /nfs/dbraw/zinc/64/30/10/1009643010.db2.gz ABTQMTCBPTUKFF-BVYCBKJFSA-N 2 1 414.594 3.551 20 0 HHADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H](C)c1ccccc1NC(=O)[C@H]1CCC[N@H+]1CCC ZINC000544041171 1009643018 /nfs/dbraw/zinc/64/30/18/1009643018.db2.gz ABTQMTCBPTUKFF-BVYCBKJFSA-N 2 1 414.594 3.551 20 0 HHADMP C[C@H]([NH2+][C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544070217 1009672780 /nfs/dbraw/zinc/67/27/80/1009672780.db2.gz LNLRFRXLNBJEML-SCWSEQNSSA-N 2 1 419.491 3.602 20 0 HHADMP C[C@H]([NH2+][C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544070217 1009672787 /nfs/dbraw/zinc/67/27/87/1009672787.db2.gz LNLRFRXLNBJEML-SCWSEQNSSA-N 2 1 419.491 3.602 20 0 HHADMP C[C@H]([NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544070214 1009672886 /nfs/dbraw/zinc/67/28/86/1009672886.db2.gz LNLRFRXLNBJEML-LDQXTDLNSA-N 2 1 419.491 3.602 20 0 HHADMP C[C@H]([NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544070214 1009672892 /nfs/dbraw/zinc/67/28/92/1009672892.db2.gz LNLRFRXLNBJEML-LDQXTDLNSA-N 2 1 419.491 3.602 20 0 HHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCc4cccc(Br)c4C3)CC2)nc(C)[nH+]1 ZINC000550174363 1009752474 /nfs/dbraw/zinc/75/24/74/1009752474.db2.gz MUNRUECCQPTKCF-GOSISDBHSA-N 2 1 415.379 3.972 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[NH+]1CCCCC1 ZINC000520708482 1009775167 /nfs/dbraw/zinc/77/51/67/1009775167.db2.gz WGWHGIHZGVANCY-UGKGYDQZSA-N 2 1 414.594 3.538 20 0 HHADMP c1cnn(-c2ccc(C[NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CC34CCOCC4)cc2)c1 ZINC000550262862 1009814118 /nfs/dbraw/zinc/81/41/18/1009814118.db2.gz APRAMHDLGAUDTH-DEOSSOPVSA-N 2 1 416.569 3.891 20 0 HHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)CC1 ZINC000520793350 1009861977 /nfs/dbraw/zinc/86/19/77/1009861977.db2.gz YLGWRBWJXQJRIH-IBGZPJMESA-N 2 1 414.594 3.584 20 0 HHADMP C[C@H](CCNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)[NH+]1CCCCC1 ZINC000544330577 1009953918 /nfs/dbraw/zinc/95/39/18/1009953918.db2.gz MAXIOLPFRCAWNX-JOCHJYFZSA-N 2 1 412.622 3.949 20 0 HHADMP C[C@@H](CCNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)[NH+]1CCCCC1 ZINC000544330578 1009954322 /nfs/dbraw/zinc/95/43/22/1009954322.db2.gz MAXIOLPFRCAWNX-QFIPXVFZSA-N 2 1 412.622 3.949 20 0 HHADMP C[N@@H+](CCN1CC[NH+](CCCOc2cccc(Cl)c2)CC1)Cc1ccccc1 ZINC000520905953 1009960810 /nfs/dbraw/zinc/96/08/10/1009960810.db2.gz NBYQZQCOYJMWRV-UHFFFAOYSA-N 2 1 401.982 3.859 20 0 HHADMP Fc1ccc([C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c2cccnc2)c(F)c1 ZINC000544358904 1009984755 /nfs/dbraw/zinc/98/47/55/1009984755.db2.gz FZJBQZFSNPIEAC-DEOSSOPVSA-N 2 1 423.511 3.646 20 0 HHADMP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@@H](c2ccco2)c2ccccc2)cc1 ZINC000544382095 1010006655 /nfs/dbraw/zinc/00/66/55/1010006655.db2.gz PNERAVAZSIXEBI-XMMPIXPASA-N 2 1 403.526 3.984 20 0 HHADMP C[C@H]([NH2+]CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544424480 1010046651 /nfs/dbraw/zinc/04/66/51/1010046651.db2.gz MRSSQRDRZWTQDW-UONOGXRCSA-N 2 1 423.483 3.763 20 0 HHADMP C[C@H]([NH2+]CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544424480 1010046664 /nfs/dbraw/zinc/04/66/64/1010046664.db2.gz MRSSQRDRZWTQDW-UONOGXRCSA-N 2 1 423.483 3.763 20 0 HHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H](Cc3ccccc3Cl)C3CC3)cc2)CC1 ZINC000550621336 1010070155 /nfs/dbraw/zinc/07/01/55/1010070155.db2.gz JJJMRFYTOQHUND-QHCPKHFHSA-N 2 1 411.977 3.839 20 0 HHADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000544622802 1010246184 /nfs/dbraw/zinc/24/61/84/1010246184.db2.gz UEIJPOCTXQQMEZ-UXHICEINSA-N 2 1 400.611 3.790 20 0 HHADMP CN(C)c1cc[nH+]cc1C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000544687071 1010300634 /nfs/dbraw/zinc/30/06/34/1010300634.db2.gz NWWITMYECNRLSG-UHFFFAOYSA-N 2 1 420.479 3.903 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC000521323083 1010305534 /nfs/dbraw/zinc/30/55/34/1010305534.db2.gz AZWYLHOUKAZQQN-GOTSBHOMSA-N 2 1 400.611 3.708 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000521323083 1010305546 /nfs/dbraw/zinc/30/55/46/1010305546.db2.gz AZWYLHOUKAZQQN-GOTSBHOMSA-N 2 1 400.611 3.708 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000521323083 1010305567 /nfs/dbraw/zinc/30/55/67/1010305567.db2.gz AZWYLHOUKAZQQN-GOTSBHOMSA-N 2 1 400.611 3.708 20 0 HHADMP Cc1nc2ccccn2c(=O)c1CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000551092686 1010361398 /nfs/dbraw/zinc/36/13/98/1010361398.db2.gz ACYALJMOCGXOQB-SIKLNZKXSA-N 2 1 404.558 3.530 20 0 HHADMP Cc1nc2ccccn2c(=O)c1CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000551092686 1010361409 /nfs/dbraw/zinc/36/14/09/1010361409.db2.gz ACYALJMOCGXOQB-SIKLNZKXSA-N 2 1 404.558 3.530 20 0 HHADMP Cc1nc2ccccn2c(=O)c1CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000551092686 1010361422 /nfs/dbraw/zinc/36/14/22/1010361422.db2.gz ACYALJMOCGXOQB-SIKLNZKXSA-N 2 1 404.558 3.530 20 0 HHADMP Cc1nc2ccccn2c(=O)c1CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000551092686 1010361432 /nfs/dbraw/zinc/36/14/32/1010361432.db2.gz ACYALJMOCGXOQB-SIKLNZKXSA-N 2 1 404.558 3.530 20 0 HHADMP Cc1ccc([C@H](CNC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)[NH+](C)C)cc1 ZINC000521485187 1010404281 /nfs/dbraw/zinc/40/42/81/1010404281.db2.gz DXWPNUWLMGHNIY-ROKPMTFOSA-N 2 1 409.574 3.637 20 0 HHADMP Cc1ccc([C@H](CNC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)[NH+](C)C)cc1 ZINC000521485187 1010404289 /nfs/dbraw/zinc/40/42/89/1010404289.db2.gz DXWPNUWLMGHNIY-ROKPMTFOSA-N 2 1 409.574 3.637 20 0 HHADMP C[C@H]1C[NH+](Cc2ccc(C(=O)N3CC[NH+](CC4CCCCC4)CC3)cc2)C[C@H](C)O1 ZINC000521508395 1010422591 /nfs/dbraw/zinc/42/25/91/1010422591.db2.gz NNVDWMFPFNUSBK-SFTDATJTSA-N 2 1 413.606 3.634 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000551262907 1010479879 /nfs/dbraw/zinc/47/98/79/1010479879.db2.gz CHDHTWJEOFGTIK-UHFFFAOYSA-N 2 1 424.589 3.611 20 0 HHADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000544942715 1010507806 /nfs/dbraw/zinc/50/78/06/1010507806.db2.gz GLPPVGXMHNTCMN-VQTJNVASSA-N 2 1 420.395 3.579 20 0 HHADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000544942715 1010507811 /nfs/dbraw/zinc/50/78/11/1010507811.db2.gz GLPPVGXMHNTCMN-VQTJNVASSA-N 2 1 420.395 3.579 20 0 HHADMP Brc1c[nH+]ccc1NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000548154474 1010546913 /nfs/dbraw/zinc/54/69/13/1010546913.db2.gz IAUCMKFVRMIOFX-UHFFFAOYSA-N 2 1 404.352 3.749 20 0 HHADMP CCN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548441713 1010628045 /nfs/dbraw/zinc/62/80/45/1010628045.db2.gz MQCFVPGTKFKVKO-RUZDIDTESA-N 2 1 420.601 3.957 20 0 HHADMP C[N@H+]1CCN(CCC[NH2+]Cc2cc(Br)cs2)[C@@H](c2ccccc2)C1 ZINC000521819402 1010639612 /nfs/dbraw/zinc/63/96/12/1010639612.db2.gz DOMQQPXDDOATMP-LJQANCHMSA-N 2 1 408.409 3.979 20 0 HHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000548660829 1010702676 /nfs/dbraw/zinc/70/26/76/1010702676.db2.gz CVTQKZUNZNLXMY-XUZZJYLKSA-N 2 1 409.578 3.674 20 0 HHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000548660829 1010702686 /nfs/dbraw/zinc/70/26/86/1010702686.db2.gz CVTQKZUNZNLXMY-XUZZJYLKSA-N 2 1 409.578 3.674 20 0 HHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000548660828 1010702927 /nfs/dbraw/zinc/70/29/27/1010702927.db2.gz CVTQKZUNZNLXMY-URXFXBBRSA-N 2 1 409.578 3.674 20 0 HHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000548660828 1010702936 /nfs/dbraw/zinc/70/29/36/1010702936.db2.gz CVTQKZUNZNLXMY-URXFXBBRSA-N 2 1 409.578 3.674 20 0 HHADMP COc1ccc(C[C@H](C)C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1F ZINC000545300364 1010721040 /nfs/dbraw/zinc/72/10/40/1010721040.db2.gz FINASHDPYPUSLL-FXAWDEMLSA-N 2 1 405.583 3.653 20 0 HHADMP C(=C\c1ccccc1)\C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551693882 1010744102 /nfs/dbraw/zinc/74/41/02/1010744102.db2.gz ICKCHILGKMCGPJ-LFUTZNDESA-N 2 1 405.586 3.609 20 0 HHADMP C(=C\c1ccccc1)\C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551693882 1010744109 /nfs/dbraw/zinc/74/41/09/1010744109.db2.gz ICKCHILGKMCGPJ-LFUTZNDESA-N 2 1 405.586 3.609 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000551704229 1010749688 /nfs/dbraw/zinc/74/96/88/1010749688.db2.gz RPVORUJNNUVVGV-AREMUKBSSA-N 2 1 422.617 3.911 20 0 HHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000548903665 1010756283 /nfs/dbraw/zinc/75/62/83/1010756283.db2.gz PKBXSDVWMFPNAK-RDPSFJRHSA-N 2 1 409.574 3.548 20 0 HHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000548903665 1010756289 /nfs/dbraw/zinc/75/62/89/1010756289.db2.gz PKBXSDVWMFPNAK-RDPSFJRHSA-N 2 1 409.574 3.548 20 0 HHADMP O=C(C[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000548934352 1010768523 /nfs/dbraw/zinc/76/85/23/1010768523.db2.gz BTQJGHAUGTUQLJ-FQEVSTJZSA-N 2 1 423.523 3.953 20 0 HHADMP O=C(C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000548934352 1010768531 /nfs/dbraw/zinc/76/85/31/1010768531.db2.gz BTQJGHAUGTUQLJ-FQEVSTJZSA-N 2 1 423.523 3.953 20 0 HHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000522310384 1010921751 /nfs/dbraw/zinc/92/17/51/1010921751.db2.gz OIJKBEJZHCPNQZ-OAQYLSRUSA-N 2 1 408.590 3.515 20 0 HHADMP CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000522836686 1011274617 /nfs/dbraw/zinc/27/46/17/1011274617.db2.gz PABSFBNXPRBGNP-HXUWFJFHSA-N 2 1 424.589 3.976 20 0 HHADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCC[C@H]3c3ccc(C(F)(F)F)cc3)cn2)CC1 ZINC000540732839 1011384100 /nfs/dbraw/zinc/38/41/00/1011384100.db2.gz FPLCSYKBXBLSGC-VQTJNVASSA-N 2 1 419.495 3.673 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C)CC[C@H]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540862269 1011530671 /nfs/dbraw/zinc/53/06/71/1011530671.db2.gz NQQSTEDPSBFISV-UIAACRFSSA-N 2 1 410.965 3.739 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C)CC[C@H]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540862269 1011530685 /nfs/dbraw/zinc/53/06/85/1011530685.db2.gz NQQSTEDPSBFISV-UIAACRFSSA-N 2 1 410.965 3.739 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CC[N@H+](C)CC[C@H]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540862269 1011530699 /nfs/dbraw/zinc/53/06/99/1011530699.db2.gz NQQSTEDPSBFISV-UIAACRFSSA-N 2 1 410.965 3.739 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CC[N@@H+](C)CC[C@H]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540862269 1011530710 /nfs/dbraw/zinc/53/07/10/1011530710.db2.gz NQQSTEDPSBFISV-UIAACRFSSA-N 2 1 410.965 3.739 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540865792 1011543201 /nfs/dbraw/zinc/54/32/01/1011543201.db2.gz LUXBCDDGCNZIGC-OVQGTLEDSA-N 2 1 422.976 3.881 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540865792 1011543212 /nfs/dbraw/zinc/54/32/12/1011543212.db2.gz LUXBCDDGCNZIGC-OVQGTLEDSA-N 2 1 422.976 3.881 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540865792 1011543223 /nfs/dbraw/zinc/54/32/23/1011543223.db2.gz LUXBCDDGCNZIGC-OVQGTLEDSA-N 2 1 422.976 3.881 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540865792 1011543232 /nfs/dbraw/zinc/54/32/32/1011543232.db2.gz LUXBCDDGCNZIGC-OVQGTLEDSA-N 2 1 422.976 3.881 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000523130551 1011599528 /nfs/dbraw/zinc/59/95/28/1011599528.db2.gz GDPPRTVYPAHJMB-HBMCJLEFSA-N 2 1 400.611 3.694 20 0 HHADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000523130551 1011599536 /nfs/dbraw/zinc/59/95/36/1011599536.db2.gz GDPPRTVYPAHJMB-HBMCJLEFSA-N 2 1 400.611 3.694 20 0 HHADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000523130551 1011599546 /nfs/dbraw/zinc/59/95/46/1011599546.db2.gz GDPPRTVYPAHJMB-HBMCJLEFSA-N 2 1 400.611 3.694 20 0 HHADMP CCCN(C(=O)NC[C@H](C)C[NH+]1CCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000523134275 1011603465 /nfs/dbraw/zinc/60/34/65/1011603465.db2.gz WQUXBZLCXLTWNG-JTHBVZDNSA-N 2 1 400.611 3.805 20 0 HHADMP COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000541026863 1011662357 /nfs/dbraw/zinc/66/23/57/1011662357.db2.gz JTEJWBBRHLNADE-IRXDYDNUSA-N 2 1 420.513 3.954 20 0 HHADMP CC(C)[N@@H+](Cc1ccc(NC(=O)N[C@@H](C)CC[NH+](C)C)cc1)C[C@@H]1CCCCO1 ZINC000541031930 1011666124 /nfs/dbraw/zinc/66/61/24/1011666124.db2.gz JORBYQKNSJTHHP-UGKGYDQZSA-N 2 1 404.599 3.928 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccco1 ZINC000523192403 1011678160 /nfs/dbraw/zinc/67/81/60/1011678160.db2.gz RMCIOSYEKWKHBS-ICSRJNTNSA-N 2 1 418.607 3.935 20 0 HHADMP C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536486621 1011699467 /nfs/dbraw/zinc/69/94/67/1011699467.db2.gz SLYVXGQGTAXTBO-JOCHJYFZSA-N 2 1 417.597 3.948 20 0 HHADMP C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536724939 1011896411 /nfs/dbraw/zinc/89/64/11/1011896411.db2.gz XIJVAYLLIATETK-CVDCTZTESA-N 2 1 422.573 3.648 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000536768258 1011969557 /nfs/dbraw/zinc/96/95/57/1011969557.db2.gz OACWWBDNBADNOV-SFHVURJKSA-N 2 1 418.545 3.853 20 0 HHADMP CNC(=O)COc1cccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000552032934 1012057567 /nfs/dbraw/zinc/05/75/67/1012057567.db2.gz CYAKTGTVYDLBDL-PZUNEJSGSA-N 2 1 421.585 3.592 20 0 HHADMP Cn1nccc1N1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000552054894 1012073577 /nfs/dbraw/zinc/07/35/77/1012073577.db2.gz RXNIIWXYTMTWHC-NEWJYFPISA-N 2 1 407.606 3.669 20 0 HHADMP Cn1nccc1N1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000552054893 1012073706 /nfs/dbraw/zinc/07/37/06/1012073706.db2.gz RXNIIWXYTMTWHC-NAVOZUGXSA-N 2 1 407.606 3.669 20 0 HHADMP CN(C(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000523605089 1012173412 /nfs/dbraw/zinc/17/34/12/1012173412.db2.gz NRPBZPZITCECOE-FGZHOGPDSA-N 2 1 424.614 3.726 20 0 HHADMP CN(C(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000523605089 1012173428 /nfs/dbraw/zinc/17/34/28/1012173428.db2.gz NRPBZPZITCECOE-FGZHOGPDSA-N 2 1 424.614 3.726 20 0 HHADMP CN(C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000523605089 1012173432 /nfs/dbraw/zinc/17/34/32/1012173432.db2.gz NRPBZPZITCECOE-FGZHOGPDSA-N 2 1 424.614 3.726 20 0 HHADMP CN(C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000523605089 1012173463 /nfs/dbraw/zinc/17/34/63/1012173463.db2.gz NRPBZPZITCECOE-FGZHOGPDSA-N 2 1 424.614 3.726 20 0 HHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)c1 ZINC000541474868 1012242861 /nfs/dbraw/zinc/24/28/61/1012242861.db2.gz NPOVHWQMSIGTQI-VWLOTQADSA-N 2 1 421.585 3.646 20 0 HHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)c1 ZINC000541474867 1012242991 /nfs/dbraw/zinc/24/29/91/1012242991.db2.gz NPOVHWQMSIGTQI-RUZDIDTESA-N 2 1 421.585 3.646 20 0 HHADMP C[NH+](C)[C@@H]1CCCN(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000541477433 1012247317 /nfs/dbraw/zinc/24/73/17/1012247317.db2.gz FTDPKASEKQZOOD-LJQANCHMSA-N 2 1 413.393 3.693 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000523666449 1012261807 /nfs/dbraw/zinc/26/18/07/1012261807.db2.gz RYDKPVRFQOAKBT-FQEVSTJZSA-N 2 1 400.611 3.982 20 0 HHADMP COC(=O)CCn1nc(C)c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1C ZINC000552273055 1012286393 /nfs/dbraw/zinc/28/63/93/1012286393.db2.gz PSBGXERYZWQRRB-UHFFFAOYSA-N 2 1 424.589 3.551 20 0 HHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC(N[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000552275962 1012290253 /nfs/dbraw/zinc/29/02/53/1012290253.db2.gz GJFQBCSQDFWQKK-UWNMQHKVSA-N 2 1 411.634 3.645 20 0 HHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000552275962 1012290265 /nfs/dbraw/zinc/29/02/65/1012290265.db2.gz GJFQBCSQDFWQKK-UWNMQHKVSA-N 3 1 411.634 3.645 20 0 HHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000552275962 1012290286 /nfs/dbraw/zinc/29/02/86/1012290286.db2.gz GJFQBCSQDFWQKK-UWNMQHKVSA-N 3 1 411.634 3.645 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000536999182 1012301500 /nfs/dbraw/zinc/30/15/00/1012301500.db2.gz BKWKUWFGXGAEIT-GOSISDBHSA-N 2 1 401.576 3.561 20 0 HHADMP CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000541535306 1012319379 /nfs/dbraw/zinc/31/93/79/1012319379.db2.gz WKFHKERFTPWSSM-QGZVFWFLSA-N 2 1 423.483 3.589 20 0 HHADMP C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541600811 1012396891 /nfs/dbraw/zinc/39/68/91/1012396891.db2.gz YAHODXKPGOOFJN-UONOGXRCSA-N 2 1 412.347 3.769 20 0 HHADMP C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541600811 1012396906 /nfs/dbraw/zinc/39/69/06/1012396906.db2.gz YAHODXKPGOOFJN-UONOGXRCSA-N 2 1 412.347 3.769 20 0 HHADMP CC(C)[N@H+](Cc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1)C[C@@H]1CCCCO1 ZINC000537146279 1012541024 /nfs/dbraw/zinc/54/10/24/1012541024.db2.gz ZNPOTFBRQQWHJX-QFIPXVFZSA-N 2 1 402.583 3.682 20 0 HHADMP COc1cccc(F)c1[C@H](C)[NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000537155112 1012550240 /nfs/dbraw/zinc/55/02/40/1012550240.db2.gz VZJMRNRCHYWSOD-ZWKOTPCHSA-N 2 1 413.537 3.654 20 0 HHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000523876591 1012572951 /nfs/dbraw/zinc/57/29/51/1012572951.db2.gz MISWDNNKHPEPRD-WCIQWLHISA-N 2 1 406.640 3.626 20 0 HHADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000523876591 1012572972 /nfs/dbraw/zinc/57/29/72/1012572972.db2.gz MISWDNNKHPEPRD-WCIQWLHISA-N 2 1 406.640 3.626 20 0 HHADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000523876591 1012572986 /nfs/dbraw/zinc/57/29/86/1012572986.db2.gz MISWDNNKHPEPRD-WCIQWLHISA-N 2 1 406.640 3.626 20 0 HHADMP CC[NH+]1CCCC[C@@H]1C(=O)Nc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2CC)c(C)c1C ZINC000552607524 1012609759 /nfs/dbraw/zinc/60/97/59/1012609759.db2.gz BCDWDIRLXQCCNV-FGZHOGPDSA-N 2 1 414.594 3.929 20 0 HHADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000541812106 1012697481 /nfs/dbraw/zinc/69/74/81/1012697481.db2.gz CFFWYRLTSDVQFI-AWWSKVOZSA-N 2 1 400.611 3.515 20 0 HHADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)CC1)CC1CC1 ZINC000552787129 1012793199 /nfs/dbraw/zinc/79/31/99/1012793199.db2.gz PXZYVJLNPPUQOV-GOSISDBHSA-N 2 1 415.578 3.619 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N(C)CCOc2ccccc2F)cc1 ZINC000541957218 1012821990 /nfs/dbraw/zinc/82/19/90/1012821990.db2.gz CZOLKDHKUTYPMT-KRWDZBQOSA-N 2 1 410.493 3.508 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)c2cc1C ZINC000552912989 1012913520 /nfs/dbraw/zinc/91/35/20/1012913520.db2.gz ICUFVWDAQZXQRY-MDNUFGMLSA-N 2 1 406.574 3.657 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)c2cc1C ZINC000552912989 1012913534 /nfs/dbraw/zinc/91/35/34/1012913534.db2.gz ICUFVWDAQZXQRY-MDNUFGMLSA-N 2 1 406.574 3.657 20 0 HHADMP CCC[NH+]1CCC[C@@H]1C(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@@H+]2CCC)c(C)c1C ZINC000552954087 1012940071 /nfs/dbraw/zinc/94/00/71/1012940071.db2.gz VHZZOVUVNHAKDV-FGZHOGPDSA-N 2 1 414.594 3.929 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)Cn1c[nH+]c2c1CCCC2)c1ccc(C(F)(F)F)cc1 ZINC000569743374 1072043492 /nfs/dbraw/zinc/04/34/92/1072043492.db2.gz YPQUACAKXNWQCM-FQEVSTJZSA-N 2 1 422.495 3.980 20 0 HHADMP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000611963296 1072176598 /nfs/dbraw/zinc/17/65/98/1072176598.db2.gz KZZTUTXDCRCKTQ-CTNGQTDRSA-N 2 1 423.557 3.692 20 0 HHADMP Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000586941422 1072504305 /nfs/dbraw/zinc/50/43/05/1072504305.db2.gz GHVOQJVYPBCSFE-GOTSBHOMSA-N 2 1 424.589 3.936 20 0 HHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cc(F)c(F)cc2Br)no1 ZINC001212144675 1072516460 /nfs/dbraw/zinc/51/64/60/1072516460.db2.gz APZBEGVVZUNSDS-AWEZNQCLSA-N 2 1 403.271 3.945 20 0 HHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc3c(c2)nc(C(F)(F)F)n3C)no1 ZINC001212145224 1072529430 /nfs/dbraw/zinc/52/94/30/1072529430.db2.gz ORUACVVBTQOFDN-ZDUSSCGKSA-N 2 1 410.444 3.810 20 0 HHADMP COc1cccc([C@H]2CC(=O)N(C[NH+]3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)C2)c1 ZINC000760539141 1072562979 /nfs/dbraw/zinc/56/29/79/1072562979.db2.gz OTBCTWDPKCBPAA-REWPJTCUSA-N 2 1 413.606 3.945 20 0 HHADMP COc1cccc([C@H]2CC(=O)N(C[NH+]3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)C2)c1 ZINC000760539141 1072562986 /nfs/dbraw/zinc/56/29/86/1072562986.db2.gz OTBCTWDPKCBPAA-REWPJTCUSA-N 2 1 413.606 3.945 20 0 HHADMP COc1cccc([C@@H]2CC(=O)N(C[NH+]3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)C2)c1 ZINC000760539139 1072563120 /nfs/dbraw/zinc/56/31/20/1072563120.db2.gz OTBCTWDPKCBPAA-NZQKXSOJSA-N 2 1 413.606 3.945 20 0 HHADMP COc1cccc([C@@H]2CC(=O)N(C[NH+]3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)C2)c1 ZINC000760539139 1072563129 /nfs/dbraw/zinc/56/31/29/1072563129.db2.gz OTBCTWDPKCBPAA-NZQKXSOJSA-N 2 1 413.606 3.945 20 0 HHADMP CC(C)C[C@H](NC(=O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000588711237 1073156705 /nfs/dbraw/zinc/15/67/05/1073156705.db2.gz XLLOTKHHBWEZJJ-HFMPRLQTSA-N 2 1 415.622 3.711 20 0 HHADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000588711954 1073157585 /nfs/dbraw/zinc/15/75/85/1073157585.db2.gz VPUJHAALLHAUTR-WOZUAGRISA-N 2 1 415.622 3.636 20 0 HHADMP C[NH+](C)CC1CC[NH+](CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)CC1 ZINC000590125908 1073572275 /nfs/dbraw/zinc/57/22/75/1073572275.db2.gz SMINTFCSWHCIJR-GOSISDBHSA-N 2 1 416.616 3.761 20 0 HHADMP CC1CC[NH+](Cc2cccc(CNC(=O)NCC[NH+]3Cc4ccccc4C3)c2)CC1 ZINC000590304990 1073739577 /nfs/dbraw/zinc/73/95/77/1073739577.db2.gz UZHGHWSOFSYBTF-UHFFFAOYSA-N 2 1 406.574 3.734 20 0 HHADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000590611486 1073939370 /nfs/dbraw/zinc/93/93/70/1073939370.db2.gz KLLRICMPNGQBCF-RUZDIDTESA-N 2 1 418.585 3.722 20 0 HHADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000590611486 1073939373 /nfs/dbraw/zinc/93/93/73/1073939373.db2.gz KLLRICMPNGQBCF-RUZDIDTESA-N 2 1 418.585 3.722 20 0 HHADMP COCCC[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000555946841 1073994369 /nfs/dbraw/zinc/99/43/69/1073994369.db2.gz UEJQXKCOZGUTFB-NHCUHLMSSA-N 2 1 405.583 3.933 20 0 HHADMP Cc1ccc(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000591161233 1074158738 /nfs/dbraw/zinc/15/87/38/1074158738.db2.gz QSNDDEQBCTVZNU-QHCPKHFHSA-N 2 1 414.594 3.868 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000591548800 1074383811 /nfs/dbraw/zinc/38/38/11/1074383811.db2.gz RCNMCVLGUCKTJE-LJQANCHMSA-N 2 1 407.002 3.724 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000591557115 1074404357 /nfs/dbraw/zinc/40/43/57/1074404357.db2.gz BHAOHBGCXHCJLH-RXVVDRJESA-N 2 1 407.002 3.897 20 0 HHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCN2CCC[N@H+](C)CC2)o1 ZINC000591717198 1074480510 /nfs/dbraw/zinc/48/05/10/1074480510.db2.gz RTNWUOGFSONGNC-UHFFFAOYSA-N 2 1 407.562 3.558 20 0 HHADMP CC[NH+](CC)C[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000596421172 1075559866 /nfs/dbraw/zinc/55/98/66/1075559866.db2.gz ULMLRRRZLGXSMR-OAHLLOKOSA-N 2 1 415.409 3.987 20 0 HHADMP c1cc2c(cc[nH+]c2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH]1 ZINC001164754596 720872621 /nfs/dbraw/zinc/87/26/21/720872621.db2.gz SEMDOPNEHGHSJF-OFVILXPXSA-N 2 1 417.557 3.713 20 0 HHADMP CCOc1cc[nH+]c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164756910 720888577 /nfs/dbraw/zinc/88/85/77/720888577.db2.gz SCPRYFUZFYMVPH-RCZVLFRGSA-N 2 1 422.573 3.630 20 0 HHADMP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)[C@H]2C ZINC001164856266 720972537 /nfs/dbraw/zinc/97/25/37/720972537.db2.gz AKUWOPNWOBFXTD-KRWDZBQOSA-N 2 1 417.001 3.949 20 0 HHADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)[C@H]2C ZINC001164856266 720972548 /nfs/dbraw/zinc/97/25/48/720972548.db2.gz AKUWOPNWOBFXTD-KRWDZBQOSA-N 2 1 417.001 3.949 20 0 HHADMP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3c([nH+]1)CCCC3)CC2 ZINC001164787864 721457789 /nfs/dbraw/zinc/45/77/89/721457789.db2.gz SRELIUPOUHPEER-QFIPXVFZSA-N 2 1 413.606 3.694 20 0 HHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3c([nH+]1)CCCC3)CC2 ZINC001164787864 721457791 /nfs/dbraw/zinc/45/77/91/721457791.db2.gz SRELIUPOUHPEER-QFIPXVFZSA-N 2 1 413.606 3.694 20 0 HHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc[nH+]c(N4CCCCC4)n3)C[C@H]21 ZINC001165026364 721822972 /nfs/dbraw/zinc/82/29/72/721822972.db2.gz PDLHENSVVKKMAD-CEMLEFRQSA-N 2 1 406.578 3.599 20 0 HHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc[nH+]c(N4CCCCC4)n3)C[C@H]21 ZINC001165026364 721822974 /nfs/dbraw/zinc/82/29/74/721822974.db2.gz PDLHENSVVKKMAD-CEMLEFRQSA-N 2 1 406.578 3.599 20 0 HHADMP Cc1ccc2c(C)cc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)[nH+]c2c1C ZINC001165004153 722256629 /nfs/dbraw/zinc/25/66/29/722256629.db2.gz OATNXOFZALOHMX-UHFFFAOYSA-N 2 1 407.562 3.845 20 0 HHADMP O=C(NCCC[NH+]1CCCC1)C1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000301366809 970889754 /nfs/dbraw/zinc/88/97/54/970889754.db2.gz NXHCJKIDVRCYCM-UHFFFAOYSA-N 2 1 400.954 3.707 20 0 HHADMP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000301982895 971141579 /nfs/dbraw/zinc/14/15/79/971141579.db2.gz JYESRGRZJBHDFW-UHFFFAOYSA-N 2 1 402.970 3.809 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc(-c2ccc(C)o2)nc1C ZINC000303153169 971530962 /nfs/dbraw/zinc/53/09/62/971530962.db2.gz SZMDZVMSZJAQBX-QGZVFWFLSA-N 2 1 404.580 3.508 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000303211858 971563387 /nfs/dbraw/zinc/56/33/87/971563387.db2.gz OYFXEGAYAGWFKM-AOHZBQACSA-N 2 1 414.638 3.608 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000303211858 971563406 /nfs/dbraw/zinc/56/34/06/971563406.db2.gz OYFXEGAYAGWFKM-AOHZBQACSA-N 2 1 414.638 3.608 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000303211858 971563410 /nfs/dbraw/zinc/56/34/10/971563410.db2.gz OYFXEGAYAGWFKM-AOHZBQACSA-N 2 1 414.638 3.608 20 0 HHADMP c1cc([C@@H]2CCC[NH+](Cc3cccc(C[N@H+]4CCC[C@@H](c5cc[nH]n5)C4)c3)C2)n[nH]1 ZINC000303219687 971566611 /nfs/dbraw/zinc/56/66/11/971566611.db2.gz RKRSXOUGVWGPHL-FGZHOGPDSA-N 2 1 404.562 3.892 20 0 HHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000303293126 971605528 /nfs/dbraw/zinc/60/55/28/971605528.db2.gz MXYUBCOYWJLGRL-UXHICEINSA-N 2 1 404.624 3.620 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000303451305 971751163 /nfs/dbraw/zinc/75/11/63/971751163.db2.gz IQLHWWTUXUDITK-GMAHTHKFSA-N 2 1 400.611 3.805 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[NH+]2CCCC2)o1 ZINC000303466020 971768755 /nfs/dbraw/zinc/76/87/55/971768755.db2.gz MNXXFLSQRHHAJU-DENIHFKCSA-N 2 1 410.562 3.641 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)[NH+]2CCCC2)o1 ZINC000303466020 971768761 /nfs/dbraw/zinc/76/87/61/971768761.db2.gz MNXXFLSQRHHAJU-DENIHFKCSA-N 2 1 410.562 3.641 20 0 HHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)CC1 ZINC000303550580 971848151 /nfs/dbraw/zinc/84/81/51/971848151.db2.gz JNHVHJRLMVOUAK-IBGZPJMESA-N 2 1 402.583 3.784 20 0 HHADMP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCCCCC2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000303555984 971851598 /nfs/dbraw/zinc/85/15/98/971851598.db2.gz MLSICXXGBCLSAD-IBGZPJMESA-N 2 1 400.567 3.622 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000303592027 971884626 /nfs/dbraw/zinc/88/46/26/971884626.db2.gz MLRCLSBCTBVHRV-SZPZYZBQSA-N 2 1 408.590 3.651 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000303592027 971884630 /nfs/dbraw/zinc/88/46/30/971884630.db2.gz MLRCLSBCTBVHRV-SZPZYZBQSA-N 2 1 408.590 3.651 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000303651614 971931046 /nfs/dbraw/zinc/93/10/46/971931046.db2.gz KOMXJPWYXBHNNH-QHAWAJNXSA-N 2 1 400.611 3.879 20 0 HHADMP C[NH+](C)Cc1cc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1F ZINC000303730033 971982650 /nfs/dbraw/zinc/98/26/50/971982650.db2.gz URLNSVXNPUUAPX-NOTZXAQLSA-N 2 1 424.564 3.882 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1ccccc1Cl ZINC000553167684 1013126976 /nfs/dbraw/zinc/12/69/76/1013126976.db2.gz PRAUXHBKYSUBLD-INMHGKMJSA-N 2 1 419.919 3.968 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1ccccc1Cl ZINC000553167684 1013126983 /nfs/dbraw/zinc/12/69/83/1013126983.db2.gz PRAUXHBKYSUBLD-INMHGKMJSA-N 2 1 419.919 3.968 20 0 HHADMP CCOc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)ccc1OCC(F)(F)F ZINC000303811458 972045566 /nfs/dbraw/zinc/04/55/66/972045566.db2.gz VHEMZDHSOQDCEZ-QGZVFWFLSA-N 2 1 416.484 3.617 20 0 HHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(Oc4cc(C)[nH]n4)cc3)CC2)CC1 ZINC000553187888 1013147243 /nfs/dbraw/zinc/14/72/43/1013147243.db2.gz SWLHTTKGMLQVAI-UHFFFAOYSA-N 2 1 411.550 3.645 20 0 HHADMP CCCCOc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1OCC ZINC000537619735 1013162659 /nfs/dbraw/zinc/16/26/59/1013162659.db2.gz JSRQZSMYOZKFQQ-IRLDBZIGSA-N 2 1 403.611 3.722 20 0 HHADMP CCCCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1OCC ZINC000537619735 1013162666 /nfs/dbraw/zinc/16/26/66/1013162666.db2.gz JSRQZSMYOZKFQQ-IRLDBZIGSA-N 2 1 403.611 3.722 20 0 HHADMP C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000537621866 1013166818 /nfs/dbraw/zinc/16/68/18/1013166818.db2.gz GPCDMCTXVDAXAQ-NLFFAJNJSA-N 2 1 411.565 3.863 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000537621866 1013166829 /nfs/dbraw/zinc/16/68/29/1013166829.db2.gz GPCDMCTXVDAXAQ-NLFFAJNJSA-N 2 1 411.565 3.863 20 0 HHADMP C[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000537621863 1013167826 /nfs/dbraw/zinc/16/78/26/1013167826.db2.gz GPCDMCTXVDAXAQ-CPJSRVTESA-N 2 1 411.565 3.863 20 0 HHADMP C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000537621863 1013167833 /nfs/dbraw/zinc/16/78/33/1013167833.db2.gz GPCDMCTXVDAXAQ-CPJSRVTESA-N 2 1 411.565 3.863 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000537692617 1013256591 /nfs/dbraw/zinc/25/65/91/1013256591.db2.gz KPMQYIYVNXGCDB-QRVBRYPASA-N 2 1 408.468 3.575 20 0 HHADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc(C)c1OCc1ccccn1 ZINC000537693791 1013258521 /nfs/dbraw/zinc/25/85/21/1013258521.db2.gz ZEHFMTWICMAZAS-RBZQAINGSA-N 2 1 409.574 3.961 20 0 HHADMP COc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1OCc1ccccc1 ZINC000537695281 1013260323 /nfs/dbraw/zinc/26/03/23/1013260323.db2.gz JHWMSHLBGZNHEK-CQOQZXRMSA-N 2 1 410.558 3.958 20 0 HHADMP COc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1OCc1ccccc1 ZINC000537695281 1013260331 /nfs/dbraw/zinc/26/03/31/1013260331.db2.gz JHWMSHLBGZNHEK-CQOQZXRMSA-N 2 1 410.558 3.958 20 0 HHADMP COCCc1nc(C)c([C@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)s1 ZINC000537768214 1013330596 /nfs/dbraw/zinc/33/05/96/1013330596.db2.gz UHKNMIZPRYOBKG-HNNXBMFYSA-N 2 1 406.596 3.808 20 0 HHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccc(Oc4ccccc4)nc3)CC2)CC1 ZINC000553419310 1013340868 /nfs/dbraw/zinc/34/08/68/1013340868.db2.gz QDORUTFXGLSYLM-UHFFFAOYSA-N 2 1 422.573 3.686 20 0 HHADMP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537840043 1013401372 /nfs/dbraw/zinc/40/13/72/1013401372.db2.gz APAKPDLLVYUJGU-IBGZPJMESA-N 2 1 412.553 3.806 20 0 HHADMP Cc1nn(-c2ccncc2)cc1CN1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000542465709 1013413389 /nfs/dbraw/zinc/41/33/89/1013413389.db2.gz KEELVYQGNVIRQA-FQEVSTJZSA-N 2 1 415.497 3.716 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537875997 1013453249 /nfs/dbraw/zinc/45/32/49/1013453249.db2.gz WSMNDQKITFPGPE-HYBUGGRVSA-N 2 1 421.589 3.508 20 0 HHADMP CC(C)(CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000024744157 964062277 /nfs/dbraw/zinc/06/22/77/964062277.db2.gz XNWSDRVTCOOWCA-UHFFFAOYSA-N 2 1 420.601 3.787 20 0 HHADMP C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542534032 1013478128 /nfs/dbraw/zinc/47/81/28/1013478128.db2.gz ZJVMAOMNKWPWGM-JKSUJKDBSA-N 2 1 421.969 3.682 20 0 HHADMP C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542534032 1013478132 /nfs/dbraw/zinc/47/81/32/1013478132.db2.gz ZJVMAOMNKWPWGM-JKSUJKDBSA-N 2 1 421.969 3.682 20 0 HHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@H]3C[N@H+](CC(C)C)CCO3)c2c1C ZINC000025372709 964256715 /nfs/dbraw/zinc/25/67/15/964256715.db2.gz KAFNZIBKATXCTI-SFHVURJKSA-N 2 1 417.623 3.673 20 0 HHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@H]3C[N@@H+](CC(C)C)CCO3)c2c1C ZINC000025372709 964256725 /nfs/dbraw/zinc/25/67/25/964256725.db2.gz KAFNZIBKATXCTI-SFHVURJKSA-N 2 1 417.623 3.673 20 0 HHADMP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000050137124 964275408 /nfs/dbraw/zinc/27/54/08/964275408.db2.gz QUMDRFNQVLKGTL-OAQYLSRUSA-N 2 1 414.619 3.734 20 0 HHADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3ncc(-c4cccc(Cl)c4)o3)CC2)CC1 ZINC000542593078 1013532445 /nfs/dbraw/zinc/53/24/45/1013532445.db2.gz LZXIKNKLAZHAPF-UHFFFAOYSA-N 2 1 402.970 3.845 20 0 HHADMP Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cnn1-c1ccc(F)cc1 ZINC000537958351 1013537936 /nfs/dbraw/zinc/53/79/36/1013537936.db2.gz QUOIURHRALHPHH-FNVCAUGXSA-N 2 1 400.542 3.738 20 0 HHADMP Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cnn1-c1ccc(F)cc1 ZINC000537958352 1013538054 /nfs/dbraw/zinc/53/80/54/1013538054.db2.gz QUOIURHRALHPHH-GMWOSMDTSA-N 2 1 400.542 3.738 20 0 HHADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCCOc3ccc(I)cc32)CC1 ZINC000537972045 1013548745 /nfs/dbraw/zinc/54/87/45/1013548745.db2.gz SPYMMKXXFHFGNU-KRWDZBQOSA-N 2 1 414.331 3.967 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)cc2)C[C@@H](C)O1 ZINC000028843813 965198909 /nfs/dbraw/zinc/19/89/09/965198909.db2.gz RDKNVXVDNQOLAV-OTPAQWSUSA-N 2 1 421.585 3.863 20 0 HHADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000537977938 1013553574 /nfs/dbraw/zinc/55/35/74/1013553574.db2.gz BABQVNNGOYGJGR-QGZVFWFLSA-N 2 1 423.985 3.690 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)cc1 ZINC000537983462 1013559092 /nfs/dbraw/zinc/55/90/92/1013559092.db2.gz MYEAIQUEHOLAKK-ULOHNXOTSA-N 2 1 400.526 3.988 20 0 HHADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1 ZINC000054509609 965548663 /nfs/dbraw/zinc/54/86/63/965548663.db2.gz YULHDHHDGUWEPY-NRFANRHFSA-N 2 1 408.590 3.946 20 0 HHADMP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000060270297 966082768 /nfs/dbraw/zinc/08/27/68/966082768.db2.gz AUFLJTRUXLMPNV-QHCPKHFHSA-N 2 1 408.521 3.533 20 0 HHADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000056039677 966191472 /nfs/dbraw/zinc/19/14/72/966191472.db2.gz LVPLOJAUCFIQBM-UHFFFAOYSA-N 2 1 407.558 3.800 20 0 HHADMP COc1c(Br)cc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1Br ZINC000036324998 966430932 /nfs/dbraw/zinc/43/09/32/966430932.db2.gz LDMILIGSCVHLKG-UHFFFAOYSA-N 2 1 408.178 3.898 20 0 HHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000061550801 966497079 /nfs/dbraw/zinc/49/70/79/966497079.db2.gz YQRAZLRFRFWBEA-HXUWFJFHSA-N 2 1 408.590 3.774 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000061868926 966568419 /nfs/dbraw/zinc/56/84/19/966568419.db2.gz KZDIXQJRTVYUBI-DEOSSOPVSA-N 2 1 408.590 3.991 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000061868926 966568424 /nfs/dbraw/zinc/56/84/24/966568424.db2.gz KZDIXQJRTVYUBI-DEOSSOPVSA-N 2 1 408.590 3.991 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000061868926 966568430 /nfs/dbraw/zinc/56/84/30/966568430.db2.gz KZDIXQJRTVYUBI-DEOSSOPVSA-N 2 1 408.590 3.991 20 0 HHADMP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000553882126 1013674319 /nfs/dbraw/zinc/67/43/19/1013674319.db2.gz AXBLMEUKPCMANJ-RUZDIDTESA-N 2 1 422.617 3.949 20 0 HHADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000063464181 966867321 /nfs/dbraw/zinc/86/73/21/966867321.db2.gz XPOMVCOWRZTGTN-QHCPKHFHSA-N 2 1 420.601 3.646 20 0 HHADMP O=C(NCCC[NH+]1CCc2ccccc2C1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063464181 966867327 /nfs/dbraw/zinc/86/73/27/966867327.db2.gz XPOMVCOWRZTGTN-QHCPKHFHSA-N 2 1 420.601 3.646 20 0 HHADMP O=C(NCCC[NH+]1CCc2ccccc2C1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000063464181 966867335 /nfs/dbraw/zinc/86/73/35/966867335.db2.gz XPOMVCOWRZTGTN-QHCPKHFHSA-N 2 1 420.601 3.646 20 0 HHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000043167037 966923056 /nfs/dbraw/zinc/92/30/56/966923056.db2.gz GGEIGMATQCBCDS-QFIPXVFZSA-N 2 1 410.562 3.642 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000043238804 966934071 /nfs/dbraw/zinc/93/40/71/966934071.db2.gz YPANLCNQQZNQCU-XMMPIXPASA-N 2 1 406.574 3.533 20 0 HHADMP COCC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000542834363 1013697664 /nfs/dbraw/zinc/69/76/64/1013697664.db2.gz BPQFFUHROYSLBN-OEMFJLHTSA-N 2 1 407.558 3.662 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)c1 ZINC000064229354 967094952 /nfs/dbraw/zinc/09/49/52/967094952.db2.gz WHJFELMUPKZYAU-UHFFFAOYSA-N 2 1 418.532 3.690 20 0 HHADMP COC(=O)COc1c(C)cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1C ZINC000064615868 967250659 /nfs/dbraw/zinc/25/06/59/967250659.db2.gz CHZZSIHLALRBAM-IBGZPJMESA-N 2 1 416.587 3.919 20 0 HHADMP COC(=O)COc1c(C)cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1C ZINC000064615868 967250671 /nfs/dbraw/zinc/25/06/71/967250671.db2.gz CHZZSIHLALRBAM-IBGZPJMESA-N 2 1 416.587 3.919 20 0 HHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCc3c2cc(Br)cc3F)C1 ZINC000542850560 1013709137 /nfs/dbraw/zinc/70/91/37/1013709137.db2.gz YXNMFGGSOLTCPQ-UWJYYQICSA-N 2 1 419.338 3.932 20 0 HHADMP O=C(NC1CC[NH+](C2CC2)CC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000045410555 967454079 /nfs/dbraw/zinc/45/40/79/967454079.db2.gz VZVCHXHCLDEQDT-UHFFFAOYSA-N 2 1 418.585 3.730 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)[NH+](C)C)cc1 ZINC000065469914 967482456 /nfs/dbraw/zinc/48/24/56/967482456.db2.gz CPXJVFBUUTWUJH-DEOSSOPVSA-N 2 1 408.590 3.824 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000065518567 967503816 /nfs/dbraw/zinc/50/38/16/967503816.db2.gz WPBYEBSIJUXYMK-NFBKMPQASA-N 2 1 412.553 3.640 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC(C[NH+]4CCCC4)CC3)cc2)C1 ZINC000045788078 967552565 /nfs/dbraw/zinc/55/25/65/967552565.db2.gz WNZURWPKTLPDIM-NRFANRHFSA-N 2 1 412.622 3.936 20 0 HHADMP CCOc1cccc([C@H](C)[NH2+]CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)c1 ZINC000538174682 1013733004 /nfs/dbraw/zinc/73/30/04/1013733004.db2.gz KRFIGDDMKVHPDQ-NRFANRHFSA-N 2 1 409.574 3.779 20 0 HHADMP CC(C)[N@H+](Cc1ccc(NC(=O)NCC2=CC[NH+](C)CC2)cc1)C[C@H]1CCCCO1 ZINC000542891541 1013737050 /nfs/dbraw/zinc/73/70/50/1013737050.db2.gz ZXAUTEOMPJRMHQ-HSZRJFAPSA-N 2 1 414.594 3.850 20 0 HHADMP CC(C)[NH+](Cc1ccc(NC(=O)NCC2=CC[N@H+](C)CC2)cc1)C[C@H]1CCCCO1 ZINC000542891541 1013737053 /nfs/dbraw/zinc/73/70/53/1013737053.db2.gz ZXAUTEOMPJRMHQ-HSZRJFAPSA-N 2 1 414.594 3.850 20 0 HHADMP CC(C)[NH+](Cc1ccc(NC(=O)NCC2=CC[N@@H+](C)CC2)cc1)C[C@H]1CCCCO1 ZINC000542891541 1013737054 /nfs/dbraw/zinc/73/70/54/1013737054.db2.gz ZXAUTEOMPJRMHQ-HSZRJFAPSA-N 2 1 414.594 3.850 20 0 HHADMP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542954913 1013785926 /nfs/dbraw/zinc/78/59/26/1013785926.db2.gz SUIZOWBEWCTKQA-RYGJVYDSSA-N 2 1 422.976 3.929 20 0 HHADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542954913 1013785929 /nfs/dbraw/zinc/78/59/29/1013785929.db2.gz SUIZOWBEWCTKQA-RYGJVYDSSA-N 2 1 422.976 3.929 20 0 HHADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542954913 1013785933 /nfs/dbraw/zinc/78/59/33/1013785933.db2.gz SUIZOWBEWCTKQA-RYGJVYDSSA-N 2 1 422.976 3.929 20 0 HHADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542954913 1013785936 /nfs/dbraw/zinc/78/59/36/1013785936.db2.gz SUIZOWBEWCTKQA-RYGJVYDSSA-N 2 1 422.976 3.929 20 0 HHADMP CC[C@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)ccc1F ZINC000538261838 1013803621 /nfs/dbraw/zinc/80/36/21/1013803621.db2.gz XMCHWYSMZIYKMR-NBCNXNJRSA-N 2 1 401.501 3.785 20 0 HHADMP CC[C@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1F ZINC000538261838 1013803631 /nfs/dbraw/zinc/80/36/31/1013803631.db2.gz XMCHWYSMZIYKMR-NBCNXNJRSA-N 2 1 401.501 3.785 20 0 HHADMP O=C(NC1CC[NH+](CC2CCCCC2)CC1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000066037590 968778006 /nfs/dbraw/zinc/77/80/06/968778006.db2.gz MLDMODVPPQVTMJ-XMMPIXPASA-N 2 1 412.622 3.995 20 0 HHADMP CC[C@@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(OC)cc1 ZINC000538291205 1013826543 /nfs/dbraw/zinc/82/65/43/1013826543.db2.gz PJPSVWDVUOYZKL-XMMPIXPASA-N 2 1 415.622 3.844 20 0 HHADMP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000108965897 969440913 /nfs/dbraw/zinc/44/09/13/969440913.db2.gz KZHTWCDLAYXDGZ-UHFFFAOYSA-N 2 1 414.553 3.789 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000109120539 969465125 /nfs/dbraw/zinc/46/51/25/969465125.db2.gz FYRBYLABKHGUKX-COPRSSIGSA-N 2 1 415.622 3.784 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000109120539 969465132 /nfs/dbraw/zinc/46/51/32/969465132.db2.gz FYRBYLABKHGUKX-COPRSSIGSA-N 2 1 415.622 3.784 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000109120539 969465137 /nfs/dbraw/zinc/46/51/37/969465137.db2.gz FYRBYLABKHGUKX-COPRSSIGSA-N 2 1 415.622 3.784 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000109120539 969465145 /nfs/dbraw/zinc/46/51/45/969465145.db2.gz FYRBYLABKHGUKX-COPRSSIGSA-N 2 1 415.622 3.784 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)CC1 ZINC000554263985 1013883495 /nfs/dbraw/zinc/88/34/95/1013883495.db2.gz KSVUAQYEWRIIMX-NTKDMRAZSA-N 2 1 406.574 3.554 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)CC1 ZINC000554263985 1013883505 /nfs/dbraw/zinc/88/35/05/1013883505.db2.gz KSVUAQYEWRIIMX-NTKDMRAZSA-N 2 1 406.574 3.554 20 0 HHADMP CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000109897738 969589022 /nfs/dbraw/zinc/58/90/22/969589022.db2.gz ASRKABAWYUXGIU-XMMPIXPASA-N 2 1 420.601 3.611 20 0 HHADMP C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000110152492 969629981 /nfs/dbraw/zinc/62/99/81/969629981.db2.gz LXSOISMOVMSBSX-RXVVDRJESA-N 2 1 411.512 3.678 20 0 HHADMP CC[NH+](CC)[C@H](C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000111072569 969772588 /nfs/dbraw/zinc/77/25/88/969772588.db2.gz UJQWBPVXHDTRRP-BKSPAHHJSA-N 2 1 423.601 3.995 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccccc2N2CC[NH+](CC)CC2)c1 ZINC000138499437 969998976 /nfs/dbraw/zinc/99/89/76/969998976.db2.gz ZFRIDCHTXOJWRY-UHFFFAOYSA-N 2 1 409.578 3.602 20 0 HHADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000227383836 970117610 /nfs/dbraw/zinc/11/76/10/970117610.db2.gz YITRDOJXZCHVRM-FBROZUCGSA-N 2 1 421.585 3.861 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000227383836 970117615 /nfs/dbraw/zinc/11/76/15/970117615.db2.gz YITRDOJXZCHVRM-FBROZUCGSA-N 2 1 421.585 3.861 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000227383836 970117618 /nfs/dbraw/zinc/11/76/18/970117618.db2.gz YITRDOJXZCHVRM-FBROZUCGSA-N 2 1 421.585 3.861 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000227383836 970117621 /nfs/dbraw/zinc/11/76/21/970117621.db2.gz YITRDOJXZCHVRM-FBROZUCGSA-N 2 1 421.585 3.861 20 0 HHADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000237169648 970235263 /nfs/dbraw/zinc/23/52/63/970235263.db2.gz SPEDBLBUCFZWPB-UHFFFAOYSA-N 2 1 423.630 3.964 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2cc(F)c(F)c(F)c2)c1)C1CCOCC1 ZINC000237202678 970240531 /nfs/dbraw/zinc/24/05/31/970240531.db2.gz XMBULLRWJNDEDJ-UHFFFAOYSA-N 2 1 408.464 3.883 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2c[nH]nc2-c2ccccc2)c1)C1CCOCC1 ZINC000237205076 970241113 /nfs/dbraw/zinc/24/11/13/970241113.db2.gz JRSHNHMIWXPPTQ-UHFFFAOYSA-N 2 1 420.557 3.856 20 0 HHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC000237527983 970308595 /nfs/dbraw/zinc/30/85/95/970308595.db2.gz ADVSSPHKCWEDAG-NRFANRHFSA-N 2 1 405.586 3.999 20 0 HHADMP C[C@H]([NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000237538537 970309535 /nfs/dbraw/zinc/30/95/35/970309535.db2.gz DQWSZAKMMGWRDO-IBGZPJMESA-N 2 1 417.619 3.746 20 0 HHADMP C[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000237538537 970309543 /nfs/dbraw/zinc/30/95/43/970309543.db2.gz DQWSZAKMMGWRDO-IBGZPJMESA-N 2 1 417.619 3.746 20 0 HHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C[C@H](C)O1 ZINC000237608298 970320997 /nfs/dbraw/zinc/32/09/97/970320997.db2.gz NYZFPTUFOOFGNT-LVCYWYKZSA-N 2 1 410.986 3.877 20 0 HHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000237672919 970336178 /nfs/dbraw/zinc/33/61/78/970336178.db2.gz FMONCGXWIXJDTN-LJQANCHMSA-N 2 1 416.997 3.792 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000148966200 970377453 /nfs/dbraw/zinc/37/74/53/970377453.db2.gz ONOOXGWTPMJDFK-DYESRHJHSA-N 2 1 418.582 3.701 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(-c4ccccc4)o3)c2)C1 ZINC000237940307 970400013 /nfs/dbraw/zinc/40/00/13/970400013.db2.gz OVPDVCDJHSUSSM-QFIPXVFZSA-N 2 1 403.526 3.934 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000150168040 970431485 /nfs/dbraw/zinc/43/14/85/970431485.db2.gz CYYRWSHRMWRAJI-NRFANRHFSA-N 2 1 400.611 3.710 20 0 HHADMP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000195606774 970548436 /nfs/dbraw/zinc/54/84/36/970548436.db2.gz WAANTTQRXPERKN-RPWUZVMVSA-N 2 1 406.574 3.787 20 0 HHADMP O=C(OCc1ccccc1)N1CCC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000380943470 972778707 /nfs/dbraw/zinc/77/87/07/972778707.db2.gz NQHGFJXMFGJXEC-QHCPKHFHSA-N 2 1 407.558 3.899 20 0 HHADMP CCOc1c(Br)cc(Br)cc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392288444 972851358 /nfs/dbraw/zinc/85/13/58/972851358.db2.gz LUZBJKQGORONHA-UHFFFAOYSA-N 2 1 418.173 3.962 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000410333545 973910071 /nfs/dbraw/zinc/91/00/71/973910071.db2.gz SLFIKGFNHVIQJK-RUZDIDTESA-N 2 1 420.601 3.923 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000410359280 973950570 /nfs/dbraw/zinc/95/05/70/973950570.db2.gz MTFUQHDILHFUHM-FQEVSTJZSA-N 2 1 400.611 3.838 20 0 HHADMP Cc1ccccc1C[NH+]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000410380642 973979285 /nfs/dbraw/zinc/97/92/85/973979285.db2.gz HOXDVKHETYIKEH-UHFFFAOYSA-N 2 1 408.590 3.863 20 0 HHADMP Cc1ccccc1C[NH+]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000410380642 973979293 /nfs/dbraw/zinc/97/92/93/973979293.db2.gz HOXDVKHETYIKEH-UHFFFAOYSA-N 2 1 408.590 3.863 20 0 HHADMP COc1ccc(CN(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1Br ZINC000425963045 974066495 /nfs/dbraw/zinc/06/64/95/974066495.db2.gz BAMYENBWWVRYKO-NRFANRHFSA-N 2 1 419.363 3.527 20 0 HHADMP COc1ccc(C[N@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1Br ZINC000425963045 974066505 /nfs/dbraw/zinc/06/65/05/974066505.db2.gz BAMYENBWWVRYKO-NRFANRHFSA-N 2 1 419.363 3.527 20 0 HHADMP COc1ccc(C[N@@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1Br ZINC000425963045 974066512 /nfs/dbraw/zinc/06/65/12/974066512.db2.gz BAMYENBWWVRYKO-NRFANRHFSA-N 2 1 419.363 3.527 20 0 HHADMP CC[N@@H+](CCNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1)CCC(F)(F)F ZINC000425975262 974082369 /nfs/dbraw/zinc/08/23/69/974082369.db2.gz BQNNOJFEZOZNKD-LJQANCHMSA-N 2 1 414.516 3.567 20 0 HHADMP CC[NH+](CCNC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)CCC(F)(F)F ZINC000425975262 974082378 /nfs/dbraw/zinc/08/23/78/974082378.db2.gz BQNNOJFEZOZNKD-LJQANCHMSA-N 2 1 414.516 3.567 20 0 HHADMP CC[NH+](CCNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)CCC(F)(F)F ZINC000425975262 974082391 /nfs/dbraw/zinc/08/23/91/974082391.db2.gz BQNNOJFEZOZNKD-LJQANCHMSA-N 2 1 414.516 3.567 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000426125906 974248324 /nfs/dbraw/zinc/24/83/24/974248324.db2.gz IBOJGOYEACMSQB-SIKLNZKXSA-N 2 1 402.583 3.745 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C[C@@H]1C ZINC000426142860 974263188 /nfs/dbraw/zinc/26/31/88/974263188.db2.gz WPDCFFGKZFDHLN-PZJWPPBQSA-N 2 1 402.583 3.888 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1ccco1 ZINC000426160851 974274109 /nfs/dbraw/zinc/27/41/09/974274109.db2.gz LHODKTRFCGZGLC-HXUWFJFHSA-N 2 1 400.523 3.569 20 0 HHADMP Cn1c2ccccc2cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1=O ZINC000426302175 974382209 /nfs/dbraw/zinc/38/22/09/974382209.db2.gz HFXKQTOSFNQQCB-GMKZXUHWSA-N 2 1 401.554 3.929 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)C[C@H](C)O1 ZINC000426785334 974657601 /nfs/dbraw/zinc/65/76/01/974657601.db2.gz PGECZJNAIZYDRV-HDICACEKSA-N 2 1 418.607 3.942 20 0 HHADMP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000426811600 974678545 /nfs/dbraw/zinc/67/85/45/974678545.db2.gz NOKSKLJUHWITHB-ZVDOUQERSA-N 2 1 401.595 3.842 20 0 HHADMP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000426811600 974678550 /nfs/dbraw/zinc/67/85/50/974678550.db2.gz NOKSKLJUHWITHB-ZVDOUQERSA-N 2 1 401.595 3.842 20 0 HHADMP CCOc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000426821094 974686565 /nfs/dbraw/zinc/68/65/65/974686565.db2.gz PTTXRQQWIGKWID-UFYCRDLUSA-N 2 1 417.594 3.624 20 0 HHADMP CC(C)c1ccccc1NC(=O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426824921 974690158 /nfs/dbraw/zinc/69/01/58/974690158.db2.gz JXSXBEGMHUAGJU-BGYRXZFFSA-N 2 1 401.595 3.960 20 0 HHADMP CC(C)c1ccccc1NC(=O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426824921 974690161 /nfs/dbraw/zinc/69/01/61/974690161.db2.gz JXSXBEGMHUAGJU-BGYRXZFFSA-N 2 1 401.595 3.960 20 0 HHADMP CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426829295 974694898 /nfs/dbraw/zinc/69/48/98/974694898.db2.gz OPVDCRASSYJSTR-SZPZYZBQSA-N 2 1 415.622 3.635 20 0 HHADMP C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000428264126 975578446 /nfs/dbraw/zinc/57/84/46/975578446.db2.gz UXGLSJJWXXTXTF-CZSZKKDXSA-N 2 1 420.601 3.786 20 0 HHADMP C[C@@H](CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000428264126 975578454 /nfs/dbraw/zinc/57/84/54/975578454.db2.gz UXGLSJJWXXTXTF-CZSZKKDXSA-N 2 1 420.601 3.786 20 0 HHADMP C[C@@H](CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000428264126 975578463 /nfs/dbraw/zinc/57/84/63/975578463.db2.gz UXGLSJJWXXTXTF-CZSZKKDXSA-N 2 1 420.601 3.786 20 0 HHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@]3(Cc4ccc(F)cc4)CCC[C@H]3O)sc2C1 ZINC000428574891 975886780 /nfs/dbraw/zinc/88/67/80/975886780.db2.gz SKKPZDZAEQNKDW-FYYLOGMGSA-N 2 1 417.594 3.912 20 0 HHADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@]3(Cc4ccc(F)cc4)CCC[C@H]3O)sc2C1 ZINC000428574891 975886786 /nfs/dbraw/zinc/88/67/86/975886786.db2.gz SKKPZDZAEQNKDW-FYYLOGMGSA-N 2 1 417.594 3.912 20 0 HHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@]3(Cc4ccc(F)cc4)CCC[C@H]3O)sc2C1 ZINC000428574894 975887223 /nfs/dbraw/zinc/88/72/23/975887223.db2.gz SKKPZDZAEQNKDW-GGAORHGYSA-N 2 1 417.594 3.912 20 0 HHADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@]3(Cc4ccc(F)cc4)CCC[C@H]3O)sc2C1 ZINC000428574894 975887232 /nfs/dbraw/zinc/88/72/32/975887232.db2.gz SKKPZDZAEQNKDW-GGAORHGYSA-N 2 1 417.594 3.912 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000428643790 975945555 /nfs/dbraw/zinc/94/55/55/975945555.db2.gz RUXYUPJVHQLNMD-XPNTWCBSSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000428643790 975945563 /nfs/dbraw/zinc/94/55/63/975945563.db2.gz RUXYUPJVHQLNMD-XPNTWCBSSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000428643790 975945569 /nfs/dbraw/zinc/94/55/69/975945569.db2.gz RUXYUPJVHQLNMD-XPNTWCBSSA-N 2 1 400.611 3.851 20 0 HHADMP CC[N@@H+]1CCCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCc3sccc3C2)CC1 ZINC000428696678 975986662 /nfs/dbraw/zinc/98/66/62/975986662.db2.gz ZYSBFPAHBSJBBW-OAQYLSRUSA-N 2 1 412.603 3.585 20 0 HHADMP CC[N@H+]1CCCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCc3sccc3C2)CC1 ZINC000428696678 975986665 /nfs/dbraw/zinc/98/66/65/975986665.db2.gz ZYSBFPAHBSJBBW-OAQYLSRUSA-N 2 1 412.603 3.585 20 0 HHADMP CC[NH+]1CCCN(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC1 ZINC000428696678 975986675 /nfs/dbraw/zinc/98/66/75/975986675.db2.gz ZYSBFPAHBSJBBW-OAQYLSRUSA-N 2 1 412.603 3.585 20 0 HHADMP CC[NH+]1CCCN(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CC1 ZINC000428696678 975986683 /nfs/dbraw/zinc/98/66/83/975986683.db2.gz ZYSBFPAHBSJBBW-OAQYLSRUSA-N 2 1 412.603 3.585 20 0 HHADMP COC1(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CCOCC1 ZINC000428869521 976160589 /nfs/dbraw/zinc/16/05/89/976160589.db2.gz BINRCGBSRWSXRT-HKUYNNGSSA-N 2 1 400.485 3.874 20 0 HHADMP COC1(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CCOCC1 ZINC000428869521 976160593 /nfs/dbraw/zinc/16/05/93/976160593.db2.gz BINRCGBSRWSXRT-HKUYNNGSSA-N 2 1 400.485 3.874 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)[nH+]c1 ZINC000428906088 976208958 /nfs/dbraw/zinc/20/89/58/976208958.db2.gz JZANOFAMJZDMII-REWPJTCUSA-N 2 1 421.589 3.711 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)[nH+]c1 ZINC000428906088 976208972 /nfs/dbraw/zinc/20/89/72/976208972.db2.gz JZANOFAMJZDMII-REWPJTCUSA-N 2 1 421.589 3.711 20 0 HHADMP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H](O)COc3ccc(C(C)(C)c4ccccc4)cc3)C2)C1 ZINC000429003076 976282707 /nfs/dbraw/zinc/28/27/07/976282707.db2.gz CVOUWLNZOBCDPP-JYFHCDHNSA-N 2 1 408.586 3.780 20 0 HHADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H](O)COc3ccc(C(C)(C)c4ccccc4)cc3)C2)C1 ZINC000429003076 976282714 /nfs/dbraw/zinc/28/27/14/976282714.db2.gz CVOUWLNZOBCDPP-JYFHCDHNSA-N 2 1 408.586 3.780 20 0 HHADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H](O)COc3ccc(C(C)(C)c4ccccc4)cc3)C2)C1 ZINC000429003076 976282721 /nfs/dbraw/zinc/28/27/21/976282721.db2.gz CVOUWLNZOBCDPP-JYFHCDHNSA-N 2 1 408.586 3.780 20 0 HHADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H](O)COc3ccc(C(C)(C)c4ccccc4)cc3)C2)C1 ZINC000429003076 976282728 /nfs/dbraw/zinc/28/27/28/976282728.db2.gz CVOUWLNZOBCDPP-JYFHCDHNSA-N 2 1 408.586 3.780 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000429057433 976344493 /nfs/dbraw/zinc/34/44/93/976344493.db2.gz AWIVRAVHNUCASW-FGZHOGPDSA-N 2 1 420.548 3.662 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000429057433 976344509 /nfs/dbraw/zinc/34/45/09/976344509.db2.gz AWIVRAVHNUCASW-FGZHOGPDSA-N 2 1 420.548 3.662 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000429232916 976523746 /nfs/dbraw/zinc/52/37/46/976523746.db2.gz CCKAMPBAHSNXBN-GOSISDBHSA-N 2 1 408.468 3.982 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000429232916 976523758 /nfs/dbraw/zinc/52/37/58/976523758.db2.gz CCKAMPBAHSNXBN-GOSISDBHSA-N 2 1 408.468 3.982 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000429233352 976525482 /nfs/dbraw/zinc/52/54/82/976525482.db2.gz MIQPTMVTKUYZBV-INIZCTEOSA-N 2 1 421.383 3.797 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000429233352 976525492 /nfs/dbraw/zinc/52/54/92/976525492.db2.gz MIQPTMVTKUYZBV-INIZCTEOSA-N 2 1 421.383 3.797 20 0 HHADMP C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000429421941 976699412 /nfs/dbraw/zinc/69/94/12/976699412.db2.gz YBHBFJUOEDSWEJ-OFVILXPXSA-N 2 1 411.590 3.569 20 0 HHADMP C[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000429421941 976699419 /nfs/dbraw/zinc/69/94/19/976699419.db2.gz YBHBFJUOEDSWEJ-OFVILXPXSA-N 2 1 411.590 3.569 20 0 HHADMP Cc1cc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000429602756 976883865 /nfs/dbraw/zinc/88/38/65/976883865.db2.gz QCEUHIIONFIENQ-FGZHOGPDSA-N 2 1 424.593 3.587 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1scnc1C(C)(C)C ZINC000430667999 977679221 /nfs/dbraw/zinc/67/92/21/977679221.db2.gz HBVAFGXQCIBTOA-UHFFFAOYSA-N 2 1 406.640 3.709 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cc(-c2ccccc2)on1 ZINC000430673514 977684986 /nfs/dbraw/zinc/68/49/86/977684986.db2.gz DFZAGOTYCVRESN-UHFFFAOYSA-N 2 1 410.562 3.610 20 0 HHADMP Cc1cc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)n1C(C)C ZINC000430673876 977685025 /nfs/dbraw/zinc/68/50/25/977685025.db2.gz GXASEOUGPZFSPH-UHFFFAOYSA-N 2 1 402.627 3.954 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000430674285 977685764 /nfs/dbraw/zinc/68/57/64/977685764.db2.gz ALXXJHDLIRTGGP-YADHBBJMSA-N 2 1 419.560 3.723 20 0 HHADMP C[C@@H](CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1F ZINC000430677444 977687987 /nfs/dbraw/zinc/68/79/87/977687987.db2.gz JTMNPDBJHSZSRF-IBGZPJMESA-N 2 1 403.586 3.974 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(-c2cnco2)cc1 ZINC000430687999 977695995 /nfs/dbraw/zinc/69/59/95/977695995.db2.gz UBFQLZBUNVFRGG-UHFFFAOYSA-N 2 1 410.562 3.610 20 0 HHADMP C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430688546 977696933 /nfs/dbraw/zinc/69/69/33/977696933.db2.gz YIIVGXABAPBQIQ-SFHVURJKSA-N 2 1 422.013 3.762 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)CC1 ZINC000430879567 977845365 /nfs/dbraw/zinc/84/53/65/977845365.db2.gz UBZTWFJSZWVUCW-HSZRJFAPSA-N 2 1 420.601 3.704 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCC(=O)Nc3cccc(Cl)c3)CC2)CC1 ZINC000430935852 977899496 /nfs/dbraw/zinc/89/94/96/977899496.db2.gz VVNVNBXKTBLHCY-UHFFFAOYSA-N 2 1 421.029 3.797 20 0 HHADMP C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430935852 977899503 /nfs/dbraw/zinc/89/95/03/977899503.db2.gz VVNVNBXKTBLHCY-UHFFFAOYSA-N 3 1 421.029 3.797 20 0 HHADMP C[N@H+](CCC(=O)Nc1cccc(Cl)c1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430935852 977899512 /nfs/dbraw/zinc/89/95/12/977899512.db2.gz VVNVNBXKTBLHCY-UHFFFAOYSA-N 3 1 421.029 3.797 20 0 HHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431286239 978172509 /nfs/dbraw/zinc/17/25/09/978172509.db2.gz XDSUHRBTKNNRQP-YADHBBJMSA-N 2 1 412.622 3.805 20 0 HHADMP CCCOc1cccc(CC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000431501657 978333193 /nfs/dbraw/zinc/33/31/93/978333193.db2.gz GWKWZNIKFBYSEB-UHFFFAOYSA-N 2 1 415.622 3.673 20 0 HHADMP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000431650868 978410170 /nfs/dbraw/zinc/41/01/70/978410170.db2.gz GALZGFNYPRZSPG-DEOSSOPVSA-N 2 1 414.638 3.608 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000431676753 978429701 /nfs/dbraw/zinc/42/97/01/978429701.db2.gz AIMYUDKFQAZJCS-QDSKXPNFSA-N 2 1 408.590 3.512 20 0 HHADMP Cc1ccc2c(c1)CC[C@@H]2NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431780248 978507663 /nfs/dbraw/zinc/50/76/63/978507663.db2.gz XRYHWQHBCCBTPK-DEOSSOPVSA-N 2 1 412.622 3.820 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ncnc2cc(F)c(F)cc21 ZINC000431826697 978540021 /nfs/dbraw/zinc/54/00/21/978540021.db2.gz YQGVINNYDGEIEZ-UHFFFAOYSA-N 2 1 403.521 3.541 20 0 HHADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(OC(F)F)c(Br)c2)CCCO1 ZINC000432360789 978777228 /nfs/dbraw/zinc/77/72/28/978777228.db2.gz XMIAVDUKODYKQA-CYBMUJFWSA-N 2 1 407.299 3.641 20 0 HHADMP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432422045 978804581 /nfs/dbraw/zinc/80/45/81/978804581.db2.gz CFHOYZRSQNVAFP-JKSUJKDBSA-N 2 1 401.473 3.513 20 0 HHADMP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432422045 978804584 /nfs/dbraw/zinc/80/45/84/978804584.db2.gz CFHOYZRSQNVAFP-JKSUJKDBSA-N 2 1 401.473 3.513 20 0 HHADMP COc1cc(C[NH+](C)C[C@H]2CCCC[C@@H]2O)cc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)c1 ZINC000432854933 978992973 /nfs/dbraw/zinc/99/29/73/978992973.db2.gz SYZMCABGHFYEJR-VRUIKYSZSA-N 2 1 418.622 3.661 20 0 HHADMP COc1cc(C[NH+](C)C[C@@H]2CCCC[C@@H]2O)cc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)c1 ZINC000432854933 978992974 /nfs/dbraw/zinc/99/29/74/978992974.db2.gz SYZMCABGHFYEJR-VRUIKYSZSA-N 2 1 418.622 3.661 20 0 HHADMP COc1cc(C[NH+](C)C[C@@H]2CCCC[C@@H]2O)cc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)c1 ZINC000432854933 978992975 /nfs/dbraw/zinc/99/29/75/978992975.db2.gz SYZMCABGHFYEJR-VRUIKYSZSA-N 2 1 418.622 3.661 20 0 HHADMP O=C(CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N1CCc2ccccc21 ZINC000433050540 979052319 /nfs/dbraw/zinc/05/23/19/979052319.db2.gz CRZFNMULJNZVBJ-UHFFFAOYSA-N 2 1 403.570 3.954 20 0 HHADMP COc1ccc(OC)c(NC(=O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433109663 979077550 /nfs/dbraw/zinc/07/75/50/979077550.db2.gz GKXBOJULYJRTTB-UHFFFAOYSA-N 2 1 423.557 3.630 20 0 HHADMP COc1ccc(OC)c(NC(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433109663 979077558 /nfs/dbraw/zinc/07/75/58/979077558.db2.gz GKXBOJULYJRTTB-UHFFFAOYSA-N 2 1 423.557 3.630 20 0 HHADMP CCc1ccc(CNC(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)s1 ZINC000433133321 979091502 /nfs/dbraw/zinc/09/15/02/979091502.db2.gz ZAMHIEJTGCJXAK-UHFFFAOYSA-N 2 1 411.615 3.915 20 0 HHADMP O=c1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc2ccc(Cl)cn12 ZINC000433192025 979131529 /nfs/dbraw/zinc/13/15/29/979131529.db2.gz JBLWEPTWYDHTCV-UHFFFAOYSA-N 2 1 422.960 3.836 20 0 HHADMP COc1cc(C[NH+]2CCC[C@@H]2[C@H]2CCCO2)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000433209520 979144164 /nfs/dbraw/zinc/14/41/64/979144164.db2.gz REWDZYYPYPKXIQ-VPBXCIAMSA-N 2 1 414.590 3.982 20 0 HHADMP COc1cc(C[NH+]2CCC[C@@H]2[C@@H]2CCCO2)cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000433209520 979144171 /nfs/dbraw/zinc/14/41/71/979144171.db2.gz REWDZYYPYPKXIQ-VPBXCIAMSA-N 2 1 414.590 3.982 20 0 HHADMP COc1cc(C[NH+]2CCC[C@@H]2[C@@H]2CCCO2)cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000433209520 979144178 /nfs/dbraw/zinc/14/41/78/979144178.db2.gz REWDZYYPYPKXIQ-VPBXCIAMSA-N 2 1 414.590 3.982 20 0 HHADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000433239690 979170586 /nfs/dbraw/zinc/17/05/86/979170586.db2.gz IHAIAAAADDDVPO-DUQPFJRNSA-N 2 1 403.533 3.759 20 0 HHADMP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000433365965 979258044 /nfs/dbraw/zinc/25/80/44/979258044.db2.gz QYHDLTSTRRSLGG-JOCHJYFZSA-N 2 1 414.594 3.573 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000433386266 979267698 /nfs/dbraw/zinc/26/76/98/979267698.db2.gz HNRMAWTYLCTPAB-JQVVWYNYSA-N 2 1 420.569 3.925 20 0 HHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(CC[NH+](C)C)Cc3ccccn3)c2c1C ZINC000433428486 979298315 /nfs/dbraw/zinc/29/83/15/979298315.db2.gz XHMDSAPAHBCPCM-UHFFFAOYSA-N 2 1 424.618 3.867 20 0 HHADMP Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000434322473 980085775 /nfs/dbraw/zinc/08/57/75/980085775.db2.gz VTWOPRRZAGCDKE-HSZRJFAPSA-N 2 1 417.557 3.952 20 0 HHADMP O[C@@H](COc1cccc2ccccc21)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434673447 980332060 /nfs/dbraw/zinc/33/20/60/980332060.db2.gz FLXBMCQYSAGBCR-JOCHJYFZSA-N 2 1 405.542 3.992 20 0 HHADMP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cc(C)nn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000435525106 980919660 /nfs/dbraw/zinc/91/96/60/980919660.db2.gz HWVMTDVBQRFHFG-FCHUYYIVSA-N 2 1 424.593 3.587 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc(C)nn1[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000435532018 980924841 /nfs/dbraw/zinc/92/48/41/980924841.db2.gz CVYSDTRZCMBWEA-VXKWHMMOSA-N 2 1 424.593 3.587 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(C)C(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435532018 980924842 /nfs/dbraw/zinc/92/48/42/980924842.db2.gz CVYSDTRZCMBWEA-VXKWHMMOSA-N 2 1 424.593 3.587 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(C)C(=O)Nc1cc(C)nn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000435532018 980924848 /nfs/dbraw/zinc/92/48/48/980924848.db2.gz CVYSDTRZCMBWEA-VXKWHMMOSA-N 2 1 424.593 3.587 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cc2c(cc1O)CCCC2 ZINC000436586830 981461343 /nfs/dbraw/zinc/46/13/43/981461343.db2.gz VBXIBVXCZIYSKB-UHFFFAOYSA-N 2 1 413.606 3.539 20 0 HHADMP Cn1cc[nH+]c1CC1CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000448208402 981621457 /nfs/dbraw/zinc/62/14/57/981621457.db2.gz HOFSZFBKXNPEPF-UHFFFAOYSA-N 2 1 423.605 3.960 20 0 HHADMP O=C(NCc1ccccc1C[NH+]1CCCCC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448213678 981627667 /nfs/dbraw/zinc/62/76/67/981627667.db2.gz NGRWJUMYLRBBQX-LADGPHEKSA-N 2 1 410.606 3.831 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1ccsc1 ZINC000448216488 981631063 /nfs/dbraw/zinc/63/10/63/981631063.db2.gz CUVZEKHXZHSXJP-IBGZPJMESA-N 2 1 403.596 3.529 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000448461671 981795441 /nfs/dbraw/zinc/79/54/41/981795441.db2.gz NCHDRFHOITUJEY-VJBMBRPKSA-N 2 1 416.610 3.594 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)[C@H](C)C1 ZINC000448463436 981797363 /nfs/dbraw/zinc/79/73/63/981797363.db2.gz BTRHOMJDMUWTTQ-BAGYTPMASA-N 2 1 416.610 3.594 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000448465794 981800912 /nfs/dbraw/zinc/80/09/12/981800912.db2.gz JNSWEHQNSGGOBB-VIZSFHNOSA-N 2 1 400.611 3.790 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000448465794 981800936 /nfs/dbraw/zinc/80/09/36/981800936.db2.gz JNSWEHQNSGGOBB-VIZSFHNOSA-N 2 1 400.611 3.790 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000448465794 981800948 /nfs/dbraw/zinc/80/09/48/981800948.db2.gz JNSWEHQNSGGOBB-VIZSFHNOSA-N 2 1 400.611 3.790 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C1 ZINC000448475493 981818105 /nfs/dbraw/zinc/81/81/05/981818105.db2.gz TZOQYIXHENWVGO-FQEVSTJZSA-N 2 1 409.018 3.781 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)[C@@H]1c1cccs1 ZINC000448519678 981846560 /nfs/dbraw/zinc/84/65/60/981846560.db2.gz FHYAJUZIZGWOMQ-BAYUQKDNSA-N 2 1 416.635 3.789 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)[C@@H]1c1cccs1 ZINC000448519678 981846562 /nfs/dbraw/zinc/84/65/62/981846562.db2.gz FHYAJUZIZGWOMQ-BAYUQKDNSA-N 2 1 416.635 3.789 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)[C@@H]1c1cccs1 ZINC000448519678 981846569 /nfs/dbraw/zinc/84/65/69/981846569.db2.gz FHYAJUZIZGWOMQ-BAYUQKDNSA-N 2 1 416.635 3.789 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccsc1 ZINC000460173776 981946361 /nfs/dbraw/zinc/94/63/61/981946361.db2.gz ZRWXQHOUCIPFSL-KSEOMHKRSA-N 2 1 412.603 3.514 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccsc1 ZINC000460173774 981946434 /nfs/dbraw/zinc/94/64/34/981946434.db2.gz ZRWXQHOUCIPFSL-CEMLEFRQSA-N 2 1 412.603 3.514 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N(Cc1ccccc1)C1CC1 ZINC000460363378 982138286 /nfs/dbraw/zinc/13/82/86/982138286.db2.gz IGMKJBFYFZCXGM-ACWUQQCTSA-N 2 1 405.586 3.924 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N(Cc1ccccc1)C1CC1 ZINC000460363378 982138290 /nfs/dbraw/zinc/13/82/90/982138290.db2.gz IGMKJBFYFZCXGM-ACWUQQCTSA-N 2 1 405.586 3.924 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N(Cc1ccccc1)C1CC1 ZINC000460363380 982138608 /nfs/dbraw/zinc/13/86/08/982138608.db2.gz IGMKJBFYFZCXGM-SFTDATJTSA-N 2 1 405.586 3.924 20 0 HHADMP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460411773 982195801 /nfs/dbraw/zinc/19/58/01/982195801.db2.gz ZZPCAEVNFWPCTH-XZOQPEGZSA-N 2 1 424.633 3.947 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000437644370 982263469 /nfs/dbraw/zinc/26/34/69/982263469.db2.gz VYFZRYGHGGHVEX-ISKFKSNPSA-N 2 1 412.622 3.647 20 0 HHADMP O=C(NC[C@H]1CC[NH+](CCc2ccccc2)C1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437644370 982263475 /nfs/dbraw/zinc/26/34/75/982263475.db2.gz VYFZRYGHGGHVEX-ISKFKSNPSA-N 2 1 412.622 3.647 20 0 HHADMP O=C(NC[C@H]1CC[NH+](CCc2ccccc2)C1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437644370 982263478 /nfs/dbraw/zinc/26/34/78/982263478.db2.gz VYFZRYGHGGHVEX-ISKFKSNPSA-N 2 1 412.622 3.647 20 0 HHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000437675481 982289647 /nfs/dbraw/zinc/28/96/47/982289647.db2.gz HURSRIAKFVRGHG-IBGZPJMESA-N 2 1 403.596 3.758 20 0 HHADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000437770009 982345001 /nfs/dbraw/zinc/34/50/01/982345001.db2.gz FYWJRVQHHNTDDV-AHWVRZQESA-N 2 1 421.585 3.947 20 0 HHADMP C[C@H](NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000460658016 982428177 /nfs/dbraw/zinc/42/81/77/982428177.db2.gz RTWZTFNVCQIHMV-IGABQKFOSA-N 2 1 424.633 3.803 20 0 HHADMP C[C@H](NC(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000460658016 982428179 /nfs/dbraw/zinc/42/81/79/982428179.db2.gz RTWZTFNVCQIHMV-IGABQKFOSA-N 2 1 424.633 3.803 20 0 HHADMP C[C@H](NC(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000460658016 982428180 /nfs/dbraw/zinc/42/81/80/982428180.db2.gz RTWZTFNVCQIHMV-IGABQKFOSA-N 2 1 424.633 3.803 20 0 HHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000437922264 982464452 /nfs/dbraw/zinc/46/44/52/982464452.db2.gz SOIGIZPWMVZACG-BGYRXZFFSA-N 2 1 411.594 3.901 20 0 HHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000437922264 982464453 /nfs/dbraw/zinc/46/44/53/982464453.db2.gz SOIGIZPWMVZACG-BGYRXZFFSA-N 2 1 411.594 3.901 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000437952097 982483085 /nfs/dbraw/zinc/48/30/85/982483085.db2.gz XDAAGLAZIHVORH-HNNXBMFYSA-N 2 1 404.452 3.724 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000438040715 982543563 /nfs/dbraw/zinc/54/35/63/982543563.db2.gz KOTWCKPPKPHTDD-QHCPKHFHSA-N 2 1 422.573 3.797 20 0 HHADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000438097866 982586563 /nfs/dbraw/zinc/58/65/63/982586563.db2.gz USUXFYSUQMTOGL-HXUWFJFHSA-N 2 1 402.608 3.621 20 0 HHADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000438097866 982586566 /nfs/dbraw/zinc/58/65/66/982586566.db2.gz USUXFYSUQMTOGL-HXUWFJFHSA-N 2 1 402.608 3.621 20 0 HHADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000438106206 982592143 /nfs/dbraw/zinc/59/21/43/982592143.db2.gz SFIDAPTUQYZLMD-OAQYLSRUSA-N 2 1 404.624 3.616 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000438270175 982691527 /nfs/dbraw/zinc/69/15/27/982691527.db2.gz KUYOKVSSKOSRCV-QHCPKHFHSA-N 2 1 415.626 3.947 20 0 HHADMP CC[C@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC000461015664 982724751 /nfs/dbraw/zinc/72/47/51/982724751.db2.gz NCDGTPKEYDIENI-QHCPKHFHSA-N 2 1 403.586 3.974 20 0 HHADMP CCC(CC)[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCOCC1 ZINC000461073732 982770621 /nfs/dbraw/zinc/77/06/21/982770621.db2.gz HOZFQAKOLRXEIW-FGCOXFRFSA-N 2 1 415.622 3.635 20 0 HHADMP CCC(CC)[C@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCOCC1 ZINC000461073732 982770628 /nfs/dbraw/zinc/77/06/28/982770628.db2.gz HOZFQAKOLRXEIW-FGCOXFRFSA-N 2 1 415.622 3.635 20 0 HHADMP Cc1cc(CNC(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc(N2CCCC2)[nH+]1 ZINC000461209490 982923476 /nfs/dbraw/zinc/92/34/76/982923476.db2.gz AVVQHTNKPPLFCC-AUSIDOKSSA-N 2 1 409.578 3.789 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000461226598 982936510 /nfs/dbraw/zinc/93/65/10/982936510.db2.gz AQCBDPDOORZASR-OAQYLSRUSA-N 2 1 411.512 3.679 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000438650225 982968576 /nfs/dbraw/zinc/96/85/76/982968576.db2.gz QLJNUEYVVASXAZ-FQEVSTJZSA-N 2 1 411.550 3.754 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000438847401 983114381 /nfs/dbraw/zinc/11/43/81/983114381.db2.gz CTXRCEZWMTVIKL-YKSBVNFPSA-N 2 1 421.589 3.571 20 0 HHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000438865649 983130301 /nfs/dbraw/zinc/13/03/01/983130301.db2.gz RZHPEHZIJSNONN-PMACEKPBSA-N 2 1 415.626 3.807 20 0 HHADMP CCC[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccc(C)nc3)C[C@H]2[C@@H](C)CC)CC1 ZINC000438954526 983175520 /nfs/dbraw/zinc/17/55/20/983175520.db2.gz AINZLXACHAIINN-CVDCTZTESA-N 2 1 415.626 3.506 20 0 HHADMP CCC[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccc(C)nc3)C[C@H]2[C@@H](C)CC)CC1 ZINC000438954526 983175525 /nfs/dbraw/zinc/17/55/25/983175525.db2.gz AINZLXACHAIINN-CVDCTZTESA-N 2 1 415.626 3.506 20 0 HHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000439180224 983294769 /nfs/dbraw/zinc/29/47/69/983294769.db2.gz RMXAPMHOJKHHBN-HKBOAZHASA-N 2 1 404.986 3.745 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000439199943 983307128 /nfs/dbraw/zinc/30/71/28/983307128.db2.gz PLKORUSQYKXKAN-SFTDATJTSA-N 2 1 421.589 3.523 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000439199943 983307133 /nfs/dbraw/zinc/30/71/33/983307133.db2.gz PLKORUSQYKXKAN-SFTDATJTSA-N 2 1 421.589 3.523 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)NCC[NH+]3CCC4(CCCCC4)CC3)CC2)[nH+]1 ZINC000441028891 984030620 /nfs/dbraw/zinc/03/06/20/984030620.db2.gz XBNSHEQGSXGMLO-UHFFFAOYSA-N 2 1 413.610 3.704 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000441249306 984137442 /nfs/dbraw/zinc/13/74/42/984137442.db2.gz CGOWRYYKJZHGBW-QDSKXPNFSA-N 2 1 423.557 3.991 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000441249304 984137473 /nfs/dbraw/zinc/13/74/73/984137473.db2.gz CGOWRYYKJZHGBW-HUVFLSCGSA-N 2 1 423.557 3.991 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441408477 984236902 /nfs/dbraw/zinc/23/69/02/984236902.db2.gz IWYCVPMXGJQHTB-NFBKMPQASA-N 2 1 421.589 3.766 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441408477 984236909 /nfs/dbraw/zinc/23/69/09/984236909.db2.gz IWYCVPMXGJQHTB-NFBKMPQASA-N 2 1 421.589 3.766 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441408477 984236914 /nfs/dbraw/zinc/23/69/14/984236914.db2.gz IWYCVPMXGJQHTB-NFBKMPQASA-N 2 1 421.589 3.766 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441408477 984236918 /nfs/dbraw/zinc/23/69/18/984236918.db2.gz IWYCVPMXGJQHTB-NFBKMPQASA-N 2 1 421.589 3.766 20 0 HHADMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)Nc1ccc(Br)cc1F ZINC000441445403 984255179 /nfs/dbraw/zinc/25/51/79/984255179.db2.gz ITBTWHUWEDYZEM-OAHLLOKOSA-N 2 1 412.347 3.725 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)C[NH+](C)Cc1ccccc1 ZINC000461730078 984744529 /nfs/dbraw/zinc/74/45/29/984744529.db2.gz RBAXDUADJQLFBF-QPPBQGQZSA-N 2 1 423.605 3.598 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000461730078 984744543 /nfs/dbraw/zinc/74/45/43/984744543.db2.gz RBAXDUADJQLFBF-QPPBQGQZSA-N 2 1 423.605 3.598 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000461730078 984744552 /nfs/dbraw/zinc/74/45/52/984744552.db2.gz RBAXDUADJQLFBF-QPPBQGQZSA-N 2 1 423.605 3.598 20 0 HHADMP C[C@@H](c1ccc(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)cc1)[NH+]1CCOCC1 ZINC000462018426 984996538 /nfs/dbraw/zinc/99/65/38/984996538.db2.gz WSQICIWWSRRCTK-SFHVURJKSA-N 2 1 402.498 3.893 20 0 HHADMP C[C@H](c1cccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1)N1CCOCC1 ZINC000462255935 985241270 /nfs/dbraw/zinc/24/12/70/985241270.db2.gz RXJWQRYXJHRFEW-YOSAUDMPSA-N 2 1 422.573 3.722 20 0 HHADMP COCCC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Br)cc1 ZINC000442871885 985253130 /nfs/dbraw/zinc/25/31/30/985253130.db2.gz IPYNETYQDCCLOB-LJQANCHMSA-N 2 1 412.416 3.532 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000462520335 985470142 /nfs/dbraw/zinc/47/01/42/985470142.db2.gz HDTDJCAZWWLAFN-DVECYGJZSA-N 2 1 424.564 3.610 20 0 HHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000462735472 985680684 /nfs/dbraw/zinc/68/06/84/985680684.db2.gz BHMHBBOYUPRUMK-PKTZIBPZSA-N 2 1 400.611 3.805 20 0 HHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462735472 985680690 /nfs/dbraw/zinc/68/06/90/985680690.db2.gz BHMHBBOYUPRUMK-PKTZIBPZSA-N 2 1 400.611 3.805 20 0 HHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462735472 985680699 /nfs/dbraw/zinc/68/06/99/985680699.db2.gz BHMHBBOYUPRUMK-PKTZIBPZSA-N 2 1 400.611 3.805 20 0 HHADMP CC(=O)N1CC[NH+](CCOc2ccc(CC[NH2+][C@H]3C[C@@H](C)CC(C)(C)C3)cc2)CC1 ZINC000462775594 985711885 /nfs/dbraw/zinc/71/18/85/985711885.db2.gz QIUILRQXJGIGPX-OFNKIYASSA-N 2 1 415.622 3.576 20 0 HHADMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(C(=O)OC(C)(C)C)cc3)cc2)CC1 ZINC000462784433 985719470 /nfs/dbraw/zinc/71/94/70/985719470.db2.gz CWGHYJRGOAAACK-UHFFFAOYSA-N 2 1 409.574 3.679 20 0 HHADMP C[C@H]1C[C@@H](C(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)CC[N@H+]1C ZINC000468087990 985745977 /nfs/dbraw/zinc/74/59/77/985745977.db2.gz TUMOMSDVXDAENP-URXFXBBRSA-N 2 1 420.601 3.673 20 0 HHADMP C[C@H]1C[C@@H](C(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)CC[N@@H+]1C ZINC000468087990 985746015 /nfs/dbraw/zinc/74/60/15/985746015.db2.gz TUMOMSDVXDAENP-URXFXBBRSA-N 2 1 420.601 3.673 20 0 HHADMP C[C@H]1C[C@@H](C(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)CC[N@H+]1C ZINC000468087990 985746026 /nfs/dbraw/zinc/74/60/26/985746026.db2.gz TUMOMSDVXDAENP-URXFXBBRSA-N 2 1 420.601 3.673 20 0 HHADMP Cc1[nH+]c2ccc(Br)cc2c(N2CC[NH+](Cc3cnn(C)c3)CC2)c1C ZINC000462826773 985749256 /nfs/dbraw/zinc/74/92/56/985749256.db2.gz SVGSYGXPIRUYKI-UHFFFAOYSA-N 2 1 414.351 3.670 20 0 HHADMP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000443576321 985751914 /nfs/dbraw/zinc/75/19/14/985751914.db2.gz BCACTEPVXGPPNC-FQEVSTJZSA-N 2 1 404.624 3.867 20 0 HHADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000443576321 985751926 /nfs/dbraw/zinc/75/19/26/985751926.db2.gz BCACTEPVXGPPNC-FQEVSTJZSA-N 2 1 404.624 3.867 20 0 HHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000443635657 985819424 /nfs/dbraw/zinc/81/94/24/985819424.db2.gz ZJGGCQCPSHUCFK-XXBNENTESA-N 2 1 400.611 3.933 20 0 HHADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000443635657 985819438 /nfs/dbraw/zinc/81/94/38/985819438.db2.gz ZJGGCQCPSHUCFK-XXBNENTESA-N 2 1 400.611 3.933 20 0 HHADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000443635657 985819463 /nfs/dbraw/zinc/81/94/63/985819463.db2.gz ZJGGCQCPSHUCFK-XXBNENTESA-N 2 1 400.611 3.933 20 0 HHADMP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC000443638763 985824187 /nfs/dbraw/zinc/82/41/87/985824187.db2.gz MLCRMHCBQBTYTJ-DUXKGJEZSA-N 2 1 407.002 3.676 20 0 HHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC000443638763 985824199 /nfs/dbraw/zinc/82/41/99/985824199.db2.gz MLCRMHCBQBTYTJ-DUXKGJEZSA-N 2 1 407.002 3.676 20 0 HHADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000443638763 985824212 /nfs/dbraw/zinc/82/42/12/985824212.db2.gz MLCRMHCBQBTYTJ-DUXKGJEZSA-N 2 1 407.002 3.676 20 0 HHADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000443638763 985824228 /nfs/dbraw/zinc/82/42/28/985824228.db2.gz MLCRMHCBQBTYTJ-DUXKGJEZSA-N 2 1 407.002 3.676 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000463015028 985970608 /nfs/dbraw/zinc/97/06/08/985970608.db2.gz WVCALXBYRHGVMC-SDUSCBPUSA-N 2 1 420.601 3.670 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000463015028 985970618 /nfs/dbraw/zinc/97/06/18/985970618.db2.gz WVCALXBYRHGVMC-SDUSCBPUSA-N 2 1 420.601 3.670 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000463015028 985970637 /nfs/dbraw/zinc/97/06/37/985970637.db2.gz WVCALXBYRHGVMC-SDUSCBPUSA-N 2 1 420.601 3.670 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463133610 986100201 /nfs/dbraw/zinc/10/02/01/986100201.db2.gz USTMDCSCQUSHPS-NIJXNBFTSA-N 2 1 411.565 3.842 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000463133610 986100208 /nfs/dbraw/zinc/10/02/08/986100208.db2.gz USTMDCSCQUSHPS-NIJXNBFTSA-N 2 1 411.565 3.842 20 0 HHADMP C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463208313 986179347 /nfs/dbraw/zinc/17/93/47/986179347.db2.gz WYYBYRDNSKIHDB-JOCHJYFZSA-N 2 1 424.608 3.633 20 0 HHADMP OC[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)Cc1cc(F)c(F)c(F)c1 ZINC000463236291 986204705 /nfs/dbraw/zinc/20/47/05/986204705.db2.gz IIOCUUWTGRVSMA-GOSISDBHSA-N 2 1 424.482 3.691 20 0 HHADMP Cc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)cc1 ZINC000468512547 986213896 /nfs/dbraw/zinc/21/38/96/986213896.db2.gz UWDSTKPKIRIXGA-OAQYLSRUSA-N 2 1 409.574 3.767 20 0 HHADMP CCC[NH+]1CCC([NH2+]Cc2cc(Br)cc(Br)c2N)CC1 ZINC000463246704 986214479 /nfs/dbraw/zinc/21/44/79/986214479.db2.gz SNOWFZDGNNWTOP-UHFFFAOYSA-N 2 1 405.178 3.758 20 0 HHADMP C[C@H]1[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC(=O)N1Cc1ccccc1 ZINC000463247032 986216058 /nfs/dbraw/zinc/21/60/58/986216058.db2.gz SXNVBRZSUQRYSN-YADARESESA-N 2 1 409.549 3.612 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000463272484 986239424 /nfs/dbraw/zinc/23/94/24/986239424.db2.gz QNKIEUYDNREWLR-BWKNWUBXSA-N 2 1 420.601 3.813 20 0 HHADMP c1ccc(CN2CCO[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)cc1 ZINC000463296742 986264255 /nfs/dbraw/zinc/26/42/55/986264255.db2.gz GGXINKXOSITPMG-VGPBXHGJSA-N 2 1 405.586 3.673 20 0 HHADMP Oc1ccc2c(c1)C1(CC1)C[NH+](CCOCC[N@@H+]1Cc3ccc(O)cc3C3(CC3)C1)C2 ZINC000463424002 986394694 /nfs/dbraw/zinc/39/46/94/986394694.db2.gz NDBICFASPNYWRT-UHFFFAOYSA-N 2 1 420.553 3.509 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000444335187 986513510 /nfs/dbraw/zinc/51/35/10/986513510.db2.gz FREOHLOAQNMXTD-GCJKJVERSA-N 2 1 403.530 3.815 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000444335187 986513520 /nfs/dbraw/zinc/51/35/20/986513520.db2.gz FREOHLOAQNMXTD-GCJKJVERSA-N 2 1 403.530 3.815 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)cc1 ZINC000444582943 986770743 /nfs/dbraw/zinc/77/07/43/986770743.db2.gz LMZFCEHRURHMMG-SFHVURJKSA-N 2 1 417.557 3.640 20 0 HHADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000469069158 986781094 /nfs/dbraw/zinc/78/10/94/986781094.db2.gz UPEAYIGMDGIXCX-UHFFFAOYSA-N 2 1 403.477 3.589 20 0 HHADMP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000469423632 987111618 /nfs/dbraw/zinc/11/16/18/987111618.db2.gz CKCOFOWJXFTCDM-GOSISDBHSA-N 2 1 411.456 3.599 20 0 HHADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000469423632 987111623 /nfs/dbraw/zinc/11/16/23/987111623.db2.gz CKCOFOWJXFTCDM-GOSISDBHSA-N 2 1 411.456 3.599 20 0 HHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000469425935 987114121 /nfs/dbraw/zinc/11/41/21/987114121.db2.gz IBWVYYQFANHGRT-GOTSBHOMSA-N 2 1 400.611 3.516 20 0 HHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000469433520 987120186 /nfs/dbraw/zinc/12/01/86/987120186.db2.gz FRFYTPJAFJKMMJ-YFNKSVMNSA-N 2 1 412.622 3.801 20 0 HHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000469433520 987120189 /nfs/dbraw/zinc/12/01/89/987120189.db2.gz FRFYTPJAFJKMMJ-YFNKSVMNSA-N 2 1 412.622 3.801 20 0 HHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000469433520 987120191 /nfs/dbraw/zinc/12/01/91/987120191.db2.gz FRFYTPJAFJKMMJ-YFNKSVMNSA-N 2 1 412.622 3.801 20 0 HHADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000469440784 987127132 /nfs/dbraw/zinc/12/71/32/987127132.db2.gz NBOLAJBLKSRYQJ-IRXDYDNUSA-N 2 1 417.504 3.932 20 0 HHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000469440784 987127133 /nfs/dbraw/zinc/12/71/33/987127133.db2.gz NBOLAJBLKSRYQJ-IRXDYDNUSA-N 2 1 417.504 3.932 20 0 HHADMP CC[NH+](CC)CCSCC(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000469485078 987166622 /nfs/dbraw/zinc/16/66/22/987166622.db2.gz BSCOYGNYQPWYQI-UHFFFAOYSA-N 2 1 402.402 3.524 20 0 HHADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000469528820 987204181 /nfs/dbraw/zinc/20/41/81/987204181.db2.gz JHPKOZPQOHFSAM-GOSISDBHSA-N 2 1 408.468 3.806 20 0 HHADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000469528820 987204186 /nfs/dbraw/zinc/20/41/86/987204186.db2.gz JHPKOZPQOHFSAM-GOSISDBHSA-N 2 1 408.468 3.806 20 0 HHADMP COc1ccc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C1CC1 ZINC000469535141 987209319 /nfs/dbraw/zinc/20/93/19/987209319.db2.gz IRACLCKOUINKPC-UHFFFAOYSA-N 2 1 413.606 3.841 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C[N@@H+]1Cc1ccccc1 ZINC000469580787 987247178 /nfs/dbraw/zinc/24/71/78/987247178.db2.gz OMJHAHMQBVHKAC-NVXWUHKLSA-N 2 1 411.456 3.598 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C[N@H+]1Cc1ccccc1 ZINC000469580787 987247183 /nfs/dbraw/zinc/24/71/83/987247183.db2.gz OMJHAHMQBVHKAC-NVXWUHKLSA-N 2 1 411.456 3.598 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000469756850 987409692 /nfs/dbraw/zinc/40/96/92/987409692.db2.gz IUMAZLIRSRNMIS-OALUTQOASA-N 2 1 423.557 3.533 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NCC1(c2ccccc2)CC1 ZINC000469758327 987412106 /nfs/dbraw/zinc/41/21/06/987412106.db2.gz QJRXNRANFPAOSX-SFTDATJTSA-N 2 1 405.586 3.581 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000469759302 987412795 /nfs/dbraw/zinc/41/27/95/987412795.db2.gz XZOSCLLMCVECPY-FKPGQJDZSA-N 2 1 411.512 3.534 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000469759302 987412797 /nfs/dbraw/zinc/41/27/97/987412797.db2.gz XZOSCLLMCVECPY-FKPGQJDZSA-N 2 1 411.512 3.534 20 0 HHADMP Cc1ccc(CN(C(=O)C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)C2CC2)o1 ZINC000469764080 987416276 /nfs/dbraw/zinc/41/62/76/987416276.db2.gz NGBRUXDMAXTJRN-XMZFGDCGSA-N 2 1 409.574 3.825 20 0 HHADMP Cc1ccc(CN(C(=O)C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)C2CC2)o1 ZINC000469764080 987416279 /nfs/dbraw/zinc/41/62/79/987416279.db2.gz NGBRUXDMAXTJRN-XMZFGDCGSA-N 2 1 409.574 3.825 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NC1(c2ccccc2)CCC1 ZINC000469766077 987418660 /nfs/dbraw/zinc/41/86/60/987418660.db2.gz WCPTVYCRAZECNZ-ZZYHAFTGSA-N 2 1 405.586 3.928 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NC1(c2ccccc2)CCC1 ZINC000469766077 987418665 /nfs/dbraw/zinc/41/86/65/987418665.db2.gz WCPTVYCRAZECNZ-ZZYHAFTGSA-N 2 1 405.586 3.928 20 0 HHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Br)cc(Br)c2N)[C@H](C)C1 ZINC000469959637 987580487 /nfs/dbraw/zinc/58/04/87/987580487.db2.gz NJOQDDOOHOVBKW-ABAIWWIYSA-N 2 1 419.205 3.956 20 0 HHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Br)cc(Br)c2N)[C@H](C)C1 ZINC000469959637 987580495 /nfs/dbraw/zinc/58/04/95/987580495.db2.gz NJOQDDOOHOVBKW-ABAIWWIYSA-N 2 1 419.205 3.956 20 0 HHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Br)cc(Br)c2N)[C@H](C)C1 ZINC000469959637 987580501 /nfs/dbraw/zinc/58/05/01/987580501.db2.gz NJOQDDOOHOVBKW-ABAIWWIYSA-N 2 1 419.205 3.956 20 0 HHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Br)cc(Br)c2N)[C@H](C)C1 ZINC000469959637 987580507 /nfs/dbraw/zinc/58/05/07/987580507.db2.gz NJOQDDOOHOVBKW-ABAIWWIYSA-N 2 1 419.205 3.956 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1 ZINC000470067624 987963002 /nfs/dbraw/zinc/96/30/02/987963002.db2.gz SNQUHYCKWLBWGT-VQIMIIECSA-N 2 1 414.516 3.728 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470166698 988080353 /nfs/dbraw/zinc/08/03/53/988080353.db2.gz WYAHDIUNCYOLCG-GOSISDBHSA-N 2 1 411.472 3.593 20 0 HHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000470216219 988142116 /nfs/dbraw/zinc/14/21/16/988142116.db2.gz PXJWUAJDEYGBAR-IBGZPJMESA-N 2 1 406.368 3.930 20 0 HHADMP Cc1nn(C(C)C)cc1C[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000464063441 988185178 /nfs/dbraw/zinc/18/51/78/988185178.db2.gz YUGYXFDDEFGMKI-UHFFFAOYSA-N 2 1 400.567 3.552 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1 ZINC000470279399 988234391 /nfs/dbraw/zinc/23/43/91/988234391.db2.gz KKWHRVNOQXTDJZ-VQIMIIECSA-N 2 1 414.516 3.681 20 0 HHADMP C[C@@H]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000470520146 988519708 /nfs/dbraw/zinc/51/97/08/988519708.db2.gz IDLSHLZYJLXKAH-HXUWFJFHSA-N 2 1 400.526 3.984 20 0 HHADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000470552540 988565739 /nfs/dbraw/zinc/56/57/39/988565739.db2.gz XJWJXTXVQLFFPQ-QWFCFKBJSA-N 2 1 411.512 3.772 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000464548549 988726528 /nfs/dbraw/zinc/72/65/28/988726528.db2.gz KVAHSBDFLLUOMW-CTNGQTDRSA-N 2 1 411.512 3.631 20 0 HHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000464548549 988726531 /nfs/dbraw/zinc/72/65/31/988726531.db2.gz KVAHSBDFLLUOMW-CTNGQTDRSA-N 2 1 411.512 3.631 20 0 HHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000464548549 988726537 /nfs/dbraw/zinc/72/65/37/988726537.db2.gz KVAHSBDFLLUOMW-CTNGQTDRSA-N 2 1 411.512 3.631 20 0 HHADMP CN(C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470731629 988763698 /nfs/dbraw/zinc/76/36/98/988763698.db2.gz FQOFEPLUKWGKBH-XZOQPEGZSA-N 2 1 412.553 3.734 20 0 HHADMP CN(C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470739027 988775945 /nfs/dbraw/zinc/77/59/45/988775945.db2.gz XVVCOLICCJSKON-DHIUTWEWSA-N 2 1 412.553 3.734 20 0 HHADMP CN(C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470739030 988776131 /nfs/dbraw/zinc/77/61/31/988776131.db2.gz XVVCOLICCJSKON-XZOQPEGZSA-N 2 1 412.553 3.734 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000470742150 988781522 /nfs/dbraw/zinc/78/15/22/988781522.db2.gz GHOPWALDSVPSOI-HSZRJFAPSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470743594 988782575 /nfs/dbraw/zinc/78/25/75/988782575.db2.gz CPDUMYKGEBUNSE-FYYLOGMGSA-N 2 1 400.611 3.947 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470743594 988782580 /nfs/dbraw/zinc/78/25/80/988782580.db2.gz CPDUMYKGEBUNSE-FYYLOGMGSA-N 2 1 400.611 3.947 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470743594 988782588 /nfs/dbraw/zinc/78/25/88/988782588.db2.gz CPDUMYKGEBUNSE-FYYLOGMGSA-N 2 1 400.611 3.947 20 0 HHADMP CN(C(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470748194 988788114 /nfs/dbraw/zinc/78/81/14/988788114.db2.gz VDAGWHDDPZLPHF-WOJBJXKFSA-N 2 1 400.592 3.657 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@H](O)Cc3ccc4ccccc4c3)CC2)CC1 ZINC000470760646 988802827 /nfs/dbraw/zinc/80/28/27/988802827.db2.gz DFBJAARXFZXNMO-HHHXNRCGSA-N 2 1 423.645 3.871 20 0 HHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000470760646 988802843 /nfs/dbraw/zinc/80/28/43/988802843.db2.gz DFBJAARXFZXNMO-HHHXNRCGSA-N 3 1 423.645 3.871 20 0 HHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000470760646 988802858 /nfs/dbraw/zinc/80/28/58/988802858.db2.gz DFBJAARXFZXNMO-HHHXNRCGSA-N 3 1 423.645 3.871 20 0 HHADMP Cc1cc(N2CCC[C@H]([NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)C2=O)ccc1Br ZINC000464686526 988893572 /nfs/dbraw/zinc/89/35/72/988893572.db2.gz CTOVHSFWYXLRBA-AHRSYUTCSA-N 2 1 420.395 3.669 20 0 HHADMP Cc1cc(N2CCC[C@H]([NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)C2=O)ccc1Br ZINC000464686526 988893592 /nfs/dbraw/zinc/89/35/92/988893592.db2.gz CTOVHSFWYXLRBA-AHRSYUTCSA-N 2 1 420.395 3.669 20 0 HHADMP Cc1cc(N2CCC[C@H]([N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)C2=O)ccc1Br ZINC000464686526 988893620 /nfs/dbraw/zinc/89/36/20/988893620.db2.gz CTOVHSFWYXLRBA-AHRSYUTCSA-N 2 1 420.395 3.669 20 0 HHADMP Cc1cc(N2CCC[C@H]([N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)C2=O)ccc1Br ZINC000464686526 988893651 /nfs/dbraw/zinc/89/36/51/988893651.db2.gz CTOVHSFWYXLRBA-AHRSYUTCSA-N 2 1 420.395 3.669 20 0 HHADMP CN(C(=O)NCCCCC[NH+]1CCCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470897161 988970432 /nfs/dbraw/zinc/97/04/32/988970432.db2.gz LVLQATIAZDDVAD-QHCPKHFHSA-N 2 1 400.611 3.949 20 0 HHADMP C/C=C\c1ccc(OC[C@H](O)C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(OC)c1 ZINC000470993720 989058786 /nfs/dbraw/zinc/05/87/86/989058786.db2.gz LJLKDXQNDNRYJY-BAOLFZALSA-N 2 1 422.569 3.532 20 0 HHADMP C/C=C\c1ccc(OC[C@H](O)C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(OC)c1 ZINC000470993720 989058799 /nfs/dbraw/zinc/05/87/99/989058799.db2.gz LJLKDXQNDNRYJY-BAOLFZALSA-N 2 1 422.569 3.532 20 0 HHADMP C/C=C\c1ccc(OC[C@H](O)C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(OC)c1 ZINC000470993720 989058810 /nfs/dbraw/zinc/05/88/10/989058810.db2.gz LJLKDXQNDNRYJY-BAOLFZALSA-N 2 1 422.569 3.532 20 0 HHADMP C/C=C\c1ccc(OC[C@H](O)C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c(OC)c1 ZINC000470993720 989058819 /nfs/dbraw/zinc/05/88/19/989058819.db2.gz LJLKDXQNDNRYJY-BAOLFZALSA-N 2 1 422.569 3.532 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)C1 ZINC000464824056 989061909 /nfs/dbraw/zinc/06/19/09/989061909.db2.gz SCFQOOYARLLSLM-RTWAWAEBSA-N 2 1 400.611 3.696 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000464824056 989061922 /nfs/dbraw/zinc/06/19/22/989061922.db2.gz SCFQOOYARLLSLM-RTWAWAEBSA-N 2 1 400.611 3.696 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000464824056 989061932 /nfs/dbraw/zinc/06/19/32/989061932.db2.gz SCFQOOYARLLSLM-RTWAWAEBSA-N 2 1 400.611 3.696 20 0 HHADMP C[N@@H+](CCCCN1C(=O)c2ccccc2C1=O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844408 989093792 /nfs/dbraw/zinc/09/37/92/989093792.db2.gz AQYFURQARWGINM-NRFANRHFSA-N 2 1 405.542 3.517 20 0 HHADMP C[NH+](CCCCN1C(=O)c2ccccc2C1=O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464844408 989093802 /nfs/dbraw/zinc/09/38/02/989093802.db2.gz AQYFURQARWGINM-NRFANRHFSA-N 2 1 405.542 3.517 20 0 HHADMP C[NH+](CCCCN1C(=O)c2ccccc2C1=O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464844408 989093810 /nfs/dbraw/zinc/09/38/10/989093810.db2.gz AQYFURQARWGINM-NRFANRHFSA-N 2 1 405.542 3.517 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000471353965 989522132 /nfs/dbraw/zinc/52/21/32/989522132.db2.gz PYHUUYXWWXUFQK-SFTDATJTSA-N 2 1 405.586 3.708 20 0 HHADMP O=C(CC[N@H+]1CCc2ccccc2C1)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000471374484 989550234 /nfs/dbraw/zinc/55/02/34/989550234.db2.gz NWNZFDOATVUAAX-UHFFFAOYSA-N 2 1 418.585 3.606 20 0 HHADMP C[NH+](C)CCOc1ccc(NC(=O)CC[N@H+]2CCc3ccccc3C2)cc1Cl ZINC000471376672 989553168 /nfs/dbraw/zinc/55/31/68/989553168.db2.gz QYRIRGXDFMZXDI-UHFFFAOYSA-N 2 1 401.938 3.667 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000465211045 989560360 /nfs/dbraw/zinc/56/03/60/989560360.db2.gz OAUIXOURIFTMTH-PZJWPPBQSA-N 2 1 411.512 3.535 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465211045 989560363 /nfs/dbraw/zinc/56/03/63/989560363.db2.gz OAUIXOURIFTMTH-PZJWPPBQSA-N 2 1 411.512 3.535 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465211045 989560366 /nfs/dbraw/zinc/56/03/66/989560366.db2.gz OAUIXOURIFTMTH-PZJWPPBQSA-N 2 1 411.512 3.535 20 0 HHADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000471382508 989561729 /nfs/dbraw/zinc/56/17/29/989561729.db2.gz QHSBSAATSMUWQY-UHFFFAOYSA-N 2 1 409.599 3.931 20 0 HHADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471474741 989670989 /nfs/dbraw/zinc/67/09/89/989670989.db2.gz DSAQLRKARYSVDK-FGZHOGPDSA-N 2 1 410.562 3.628 20 0 HHADMP O=C(NCc1ccccc1C[NH+]1CCCC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471509213 989707095 /nfs/dbraw/zinc/70/70/95/989707095.db2.gz UWMZXWNVUQODJT-PLQXJYEYSA-N 2 1 418.585 3.556 20 0 HHADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471547141 989746652 /nfs/dbraw/zinc/74/66/52/989746652.db2.gz LQTKHVXLBRUJIX-DEOSSOPVSA-N 2 1 406.574 3.604 20 0 HHADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471547142 989746715 /nfs/dbraw/zinc/74/67/15/989746715.db2.gz LQTKHVXLBRUJIX-XMMPIXPASA-N 2 1 406.574 3.604 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000465425848 989769356 /nfs/dbraw/zinc/76/93/56/989769356.db2.gz BZODTCGPBKYXDR-APWZRJJASA-N 2 1 414.516 3.824 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000465425251 989769386 /nfs/dbraw/zinc/76/93/86/989769386.db2.gz BETLSWHVHASNNA-PMACEKPBSA-N 2 1 406.640 3.894 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000465513651 989864621 /nfs/dbraw/zinc/86/46/21/989864621.db2.gz HGLGKSKSZTWGLA-VWLOTQADSA-N 2 1 420.601 3.946 20 0 HHADMP CC(C)[C@@H](CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000465552982 989915964 /nfs/dbraw/zinc/91/59/64/989915964.db2.gz ZVPPJTMBLYPORT-DNQXCXABSA-N 2 1 414.638 3.906 20 0 HHADMP CC(C)[C@@H](CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000465552981 989916106 /nfs/dbraw/zinc/91/61/06/989916106.db2.gz ZVPPJTMBLYPORT-BJKOFHAPSA-N 2 1 414.638 3.906 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000465589812 989967503 /nfs/dbraw/zinc/96/75/03/989967503.db2.gz DLUPVXMHXNQRNZ-FCHUYYIVSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@H]1CCC[NH+](CCCCNC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000465589812 989967511 /nfs/dbraw/zinc/96/75/11/989967511.db2.gz DLUPVXMHXNQRNZ-FCHUYYIVSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@H]1CCC[NH+](CCCCNC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000465589812 989967517 /nfs/dbraw/zinc/96/75/17/989967517.db2.gz DLUPVXMHXNQRNZ-FCHUYYIVSA-N 2 1 400.611 3.805 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000465609378 989992485 /nfs/dbraw/zinc/99/24/85/989992485.db2.gz UFQFGHITXLLGSU-FPOVZHCZSA-N 2 1 406.640 3.942 20 0 HHADMP C[C@@H](CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000465689194 990074596 /nfs/dbraw/zinc/07/45/96/990074596.db2.gz GRSYZEOBADOTTQ-JTHBVZDNSA-N 2 1 420.601 3.597 20 0 HHADMP C[C@@H](CNC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000465689194 990074607 /nfs/dbraw/zinc/07/46/07/990074607.db2.gz GRSYZEOBADOTTQ-JTHBVZDNSA-N 2 1 420.601 3.597 20 0 HHADMP C[C@@H](CNC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000465689194 990074613 /nfs/dbraw/zinc/07/46/13/990074613.db2.gz GRSYZEOBADOTTQ-JTHBVZDNSA-N 2 1 420.601 3.597 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000465694787 990081061 /nfs/dbraw/zinc/08/10/61/990081061.db2.gz QHHHVTIVMGAXBP-JWQCQUIFSA-N 2 1 420.601 3.815 20 0 HHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000465694787 990081085 /nfs/dbraw/zinc/08/10/85/990081085.db2.gz QHHHVTIVMGAXBP-JWQCQUIFSA-N 2 1 420.601 3.815 20 0 HHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000465694787 990081094 /nfs/dbraw/zinc/08/10/94/990081094.db2.gz QHHHVTIVMGAXBP-JWQCQUIFSA-N 2 1 420.601 3.815 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](CC(F)(F)F)c1ccccc1 ZINC000465730125 990115391 /nfs/dbraw/zinc/11/53/91/990115391.db2.gz YHAWLHFFCPUZQQ-RTBURBONSA-N 2 1 414.516 3.738 20 0 HHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465737790 990123417 /nfs/dbraw/zinc/12/34/17/990123417.db2.gz OIBZSXPSSFKXNJ-SRUXOGRHSA-N 2 1 400.611 3.516 20 0 HHADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000465737790 990123420 /nfs/dbraw/zinc/12/34/20/990123420.db2.gz OIBZSXPSSFKXNJ-SRUXOGRHSA-N 2 1 400.611 3.516 20 0 HHADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000465737790 990123425 /nfs/dbraw/zinc/12/34/25/990123425.db2.gz OIBZSXPSSFKXNJ-SRUXOGRHSA-N 2 1 400.611 3.516 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccccc1C(F)(F)F ZINC000465740552 990126297 /nfs/dbraw/zinc/12/62/97/990126297.db2.gz GNWKTWYLGBJRPP-IAGOWNOFSA-N 2 1 414.516 3.824 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000465753810 990140052 /nfs/dbraw/zinc/14/00/52/990140052.db2.gz MBIGNFMGROPLCG-FUPPJEDESA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000465753810 990140057 /nfs/dbraw/zinc/14/00/57/990140057.db2.gz MBIGNFMGROPLCG-FUPPJEDESA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000465753810 990140061 /nfs/dbraw/zinc/14/00/61/990140061.db2.gz MBIGNFMGROPLCG-FUPPJEDESA-N 2 1 400.611 3.660 20 0 HHADMP C[N@@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCc3sccc3C2)[C@@H]1c1cccs1 ZINC000465757217 990142528 /nfs/dbraw/zinc/14/25/28/990142528.db2.gz PMMCUENDNKLBAK-OXQOHEQNSA-N 2 1 418.632 3.550 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCc3sccc3C2)[C@@H]1c1cccs1 ZINC000465757217 990142530 /nfs/dbraw/zinc/14/25/30/990142530.db2.gz PMMCUENDNKLBAK-OXQOHEQNSA-N 2 1 418.632 3.550 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)NCC[N@@H+]2CCc3sccc3C2)[C@@H]1c1cccs1 ZINC000465757217 990142538 /nfs/dbraw/zinc/14/25/38/990142538.db2.gz PMMCUENDNKLBAK-OXQOHEQNSA-N 2 1 418.632 3.550 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)NCC[N@H+]2CCc3sccc3C2)[C@@H]1c1cccs1 ZINC000465757217 990142540 /nfs/dbraw/zinc/14/25/40/990142540.db2.gz PMMCUENDNKLBAK-OXQOHEQNSA-N 2 1 418.632 3.550 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)c1 ZINC000465820818 990203636 /nfs/dbraw/zinc/20/36/36/990203636.db2.gz XESRFVDXNRCQNA-NRFANRHFSA-N 2 1 408.590 3.944 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1 ZINC000465820818 990203646 /nfs/dbraw/zinc/20/36/46/990203646.db2.gz XESRFVDXNRCQNA-NRFANRHFSA-N 2 1 408.590 3.944 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC000465820818 990203655 /nfs/dbraw/zinc/20/36/55/990203655.db2.gz XESRFVDXNRCQNA-NRFANRHFSA-N 2 1 408.590 3.944 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000465822680 990206232 /nfs/dbraw/zinc/20/62/32/990206232.db2.gz ZJYLWSBOTVJSLQ-QHCPKHFHSA-N 2 1 400.611 3.936 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000465823521 990206860 /nfs/dbraw/zinc/20/68/60/990206860.db2.gz XWGXCSGALFCTEI-YADHBBJMSA-N 2 1 412.578 3.826 20 0 HHADMP CCN(CCC[NH+]1CCCC1)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000472059331 990222941 /nfs/dbraw/zinc/22/29/41/990222941.db2.gz USQOKSWSUPOSQS-JTHBVZDNSA-N 2 1 400.611 3.805 20 0 HHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465858556 990968628 /nfs/dbraw/zinc/96/86/28/990968628.db2.gz AOPPIDGMEUOAQS-DHIUTWEWSA-N 2 1 400.611 3.805 20 0 HHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000465858556 990968632 /nfs/dbraw/zinc/96/86/32/990968632.db2.gz AOPPIDGMEUOAQS-DHIUTWEWSA-N 2 1 400.611 3.805 20 0 HHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000465858556 990968640 /nfs/dbraw/zinc/96/86/40/990968640.db2.gz AOPPIDGMEUOAQS-DHIUTWEWSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H](CNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+](C)Cc1ccccc1 ZINC000465883458 991005235 /nfs/dbraw/zinc/00/52/35/991005235.db2.gz ZUNVIWXRDUZWCS-VXKWHMMOSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@@H](CNC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000465883458 991005240 /nfs/dbraw/zinc/00/52/40/991005240.db2.gz ZUNVIWXRDUZWCS-VXKWHMMOSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@@H](CNC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000465883458 991005246 /nfs/dbraw/zinc/00/52/46/991005246.db2.gz ZUNVIWXRDUZWCS-VXKWHMMOSA-N 2 1 408.590 3.813 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)NC3CC[NH+]([C@@H](C)c4ccccc4)CC3)CC2)[nH+]c1 ZINC000465956000 991096745 /nfs/dbraw/zinc/09/67/45/991096745.db2.gz NWZDEPQMYSPYHY-FQEVSTJZSA-N 2 1 421.589 3.884 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000465959050 991101540 /nfs/dbraw/zinc/10/15/40/991101540.db2.gz RYTJBLYUURRTEP-HSZRJFAPSA-N 2 1 400.611 3.806 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000466002755 991167049 /nfs/dbraw/zinc/16/70/49/991167049.db2.gz CVVUEGUINRIZJS-JOCHJYFZSA-N 2 1 410.562 3.681 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000466002755 991167054 /nfs/dbraw/zinc/16/70/54/991167054.db2.gz CVVUEGUINRIZJS-JOCHJYFZSA-N 2 1 410.562 3.681 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000466014817 991180329 /nfs/dbraw/zinc/18/03/29/991180329.db2.gz ZANWXCDJXQEIBG-QHCPKHFHSA-N 2 1 424.589 3.975 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000466014817 991180333 /nfs/dbraw/zinc/18/03/33/991180333.db2.gz ZANWXCDJXQEIBG-QHCPKHFHSA-N 2 1 424.589 3.975 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466014817 991180338 /nfs/dbraw/zinc/18/03/38/991180338.db2.gz ZANWXCDJXQEIBG-QHCPKHFHSA-N 2 1 424.589 3.975 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466014817 991180340 /nfs/dbraw/zinc/18/03/40/991180340.db2.gz ZANWXCDJXQEIBG-QHCPKHFHSA-N 2 1 424.589 3.975 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000466024065 991193028 /nfs/dbraw/zinc/19/30/28/991193028.db2.gz VSAOYYKZQLVLQO-NRFANRHFSA-N 2 1 412.553 3.551 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)[C@@H]1c1cccs1 ZINC000466073887 991247193 /nfs/dbraw/zinc/24/71/93/991247193.db2.gz FLFWDCXWNFMOCO-UYAOXDASSA-N 2 1 406.640 3.894 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@@H]1c1cccs1 ZINC000466078801 991253133 /nfs/dbraw/zinc/25/31/33/991253133.db2.gz OEQGDPXMERSYIM-WIYYLYMNSA-N 2 1 404.624 3.791 20 0 HHADMP C[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1cccs1 ZINC000466080569 991256712 /nfs/dbraw/zinc/25/67/12/991256712.db2.gz RNHGOROGTWWALF-IRLDBZIGSA-N 2 1 412.603 3.658 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1cccs1 ZINC000466080569 991256718 /nfs/dbraw/zinc/25/67/18/991256718.db2.gz RNHGOROGTWWALF-IRLDBZIGSA-N 2 1 412.603 3.658 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000466137023 991317926 /nfs/dbraw/zinc/31/79/26/991317926.db2.gz GRRDXLRFEMUXGP-HYBUGGRVSA-N 2 1 406.574 3.613 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]CC3CCC(C(F)(F)F)CC3)c2)C1 ZINC000466467016 991757214 /nfs/dbraw/zinc/75/72/14/991757214.db2.gz SXRDXAQIEIIDHN-NQKNOSNGSA-N 2 1 411.512 3.842 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000466512275 991797719 /nfs/dbraw/zinc/79/77/19/991797719.db2.gz DRKKXQOVZGGNLB-CTNGQTDRSA-N 2 1 410.562 3.548 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000466512280 991798241 /nfs/dbraw/zinc/79/82/41/991798241.db2.gz DRKKXQOVZGGNLB-PZJWPPBQSA-N 2 1 410.562 3.548 20 0 HHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000466535605 991837132 /nfs/dbraw/zinc/83/71/32/991837132.db2.gz GSIPPHHJZFMKKV-YKSBVNFPSA-N 2 1 408.590 3.943 20 0 HHADMP CCc1sc(-c2nnc(C[NH+]3CCC(OCC[NH+](CC)CC)CC3)o2)cc1C ZINC000466735353 992044556 /nfs/dbraw/zinc/04/45/56/992044556.db2.gz OMRGLGUKPWTVPO-UHFFFAOYSA-N 2 1 406.596 3.992 20 0 HHADMP C[NH+](C)CCc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000466783229 992090579 /nfs/dbraw/zinc/09/05/79/992090579.db2.gz UUJNQTWOJNYWPE-YADHBBJMSA-N 2 1 414.981 3.689 20 0 HHADMP C[NH+](C)CCc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000466783229 992090586 /nfs/dbraw/zinc/09/05/86/992090586.db2.gz UUJNQTWOJNYWPE-YADHBBJMSA-N 2 1 414.981 3.689 20 0 HHADMP CCC[N@H+](Cc1ccc(C(=O)OC)s1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000466968617 992280317 /nfs/dbraw/zinc/28/03/17/992280317.db2.gz DHSHHTZEVDOFGR-UHFFFAOYSA-N 2 1 402.564 3.823 20 0 HHADMP CCC[N@@H+](Cc1ccc(C(=O)OC)s1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000466968617 992280327 /nfs/dbraw/zinc/28/03/27/992280327.db2.gz DHSHHTZEVDOFGR-UHFFFAOYSA-N 2 1 402.564 3.823 20 0 HHADMP O=C(Nc1ccccc1)[C@@H](c1ccccc1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000467209837 992534593 /nfs/dbraw/zinc/53/45/93/992534593.db2.gz YRJZLIBRBQPXOL-XMMPIXPASA-N 2 1 407.558 3.943 20 0 HHADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000467215441 992540060 /nfs/dbraw/zinc/54/00/60/992540060.db2.gz SPNIEODFNGZUTC-LJQANCHMSA-N 2 1 413.562 3.529 20 0 HHADMP CCS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000467413925 992717537 /nfs/dbraw/zinc/71/75/37/992717537.db2.gz PAMDOVNBSFXGLC-GMKZXUHWSA-N 2 1 412.599 3.871 20 0 HHADMP CCS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000467413925 992717541 /nfs/dbraw/zinc/71/75/41/992717541.db2.gz PAMDOVNBSFXGLC-GMKZXUHWSA-N 2 1 412.599 3.871 20 0 HHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000472290758 993306700 /nfs/dbraw/zinc/30/67/00/993306700.db2.gz IKIYRZDGDLFSKQ-INIZCTEOSA-N 2 1 402.366 3.755 20 0 HHADMP C[N@@H+]1CC[C@@H](NC(=O)Nc2ccccc2C[NH+]2CCSCC2)[C@@H]1c1ccccc1 ZINC000472301916 993314708 /nfs/dbraw/zinc/31/47/08/993314708.db2.gz AVGPXHQQJBMEIE-YADHBBJMSA-N 2 1 410.587 3.802 20 0 HHADMP C[N@H+]1CC[C@@H](NC(=O)Nc2ccccc2C[NH+]2CCSCC2)[C@@H]1c1ccccc1 ZINC000472301916 993314714 /nfs/dbraw/zinc/31/47/14/993314714.db2.gz AVGPXHQQJBMEIE-YADHBBJMSA-N 2 1 410.587 3.802 20 0 HHADMP C[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2C[NH+]2CCSCC2)[C@H]1c1ccccc1 ZINC000472301768 993314955 /nfs/dbraw/zinc/31/49/55/993314955.db2.gz AVGPXHQQJBMEIE-FCHUYYIVSA-N 2 1 410.587 3.802 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)Nc2ccccc2C[NH+]2CCSCC2)[C@H]1c1ccccc1 ZINC000472301768 993314959 /nfs/dbraw/zinc/31/49/59/993314959.db2.gz AVGPXHQQJBMEIE-FCHUYYIVSA-N 2 1 410.587 3.802 20 0 HHADMP CN(C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000472365619 993363066 /nfs/dbraw/zinc/36/30/66/993363066.db2.gz PFVFNHUGBAIUMU-XMMPIXPASA-N 2 1 420.601 3.815 20 0 HHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccc(-n4cccn4)cc3)cc2)CC1 ZINC000480714798 993583943 /nfs/dbraw/zinc/58/39/43/993583943.db2.gz QWQMWOQDRRYNHK-OAQYLSRUSA-N 2 1 403.574 3.861 20 0 HHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccc(-n4cccn4)cc3)cc2)CC1 ZINC000480714795 993584074 /nfs/dbraw/zinc/58/40/74/993584074.db2.gz QWQMWOQDRRYNHK-NRFANRHFSA-N 2 1 403.574 3.861 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000472678192 993600219 /nfs/dbraw/zinc/60/02/19/993600219.db2.gz NYYQVFKYPJHADM-JOCHJYFZSA-N 2 1 407.558 3.752 20 0 HHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000480779418 993645875 /nfs/dbraw/zinc/64/58/75/993645875.db2.gz KODJUDJDLOCLRR-PXDATVDWSA-N 2 1 420.601 3.843 20 0 HHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCc4cc(Br)ccc43)cc2)CC1 ZINC000480895942 993754350 /nfs/dbraw/zinc/75/43/50/993754350.db2.gz HYVFZGGDXZRELF-QFIPXVFZSA-N 2 1 414.391 3.974 20 0 HHADMP C[C@@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000481013577 993856122 /nfs/dbraw/zinc/85/61/22/993856122.db2.gz LWGIKRZLCLPBKS-ZDUSSCGKSA-N 2 1 408.518 3.689 20 0 HHADMP C[C@@H]1[C@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000481024410 993868401 /nfs/dbraw/zinc/86/84/01/993868401.db2.gz YNAAXNGRXNRNNN-NTKDMRAZSA-N 2 1 424.564 3.752 20 0 HHADMP C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000481121242 993956958 /nfs/dbraw/zinc/95/69/58/993956958.db2.gz USOUUYRAJXXOLW-IBGZPJMESA-N 2 1 420.557 3.849 20 0 HHADMP CC(C)OCc1ccccc1CNC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481176176 994006500 /nfs/dbraw/zinc/00/65/00/994006500.db2.gz LNBJYKVALUCTNA-SQJMNOBHSA-N 2 1 423.601 3.728 20 0 HHADMP CC(C)OCc1ccccc1CNC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481176176 994006508 /nfs/dbraw/zinc/00/65/08/994006508.db2.gz LNBJYKVALUCTNA-SQJMNOBHSA-N 2 1 423.601 3.728 20 0 HHADMP COc1ccc([C@H](NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C2CC2)cc1 ZINC000481196424 994030550 /nfs/dbraw/zinc/03/05/50/994030550.db2.gz ZBZZBZXPDQHOSW-YZXAJQSBSA-N 2 1 421.585 3.763 20 0 HHADMP COc1ccc([C@H](NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C2CC2)cc1 ZINC000481196424 994030560 /nfs/dbraw/zinc/03/05/60/994030560.db2.gz ZBZZBZXPDQHOSW-YZXAJQSBSA-N 2 1 421.585 3.763 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)[C@@H](C)C1 ZINC000481306994 994123158 /nfs/dbraw/zinc/12/31/58/994123158.db2.gz NASGJIDKDTTWNS-MBSDFSHPSA-N 2 1 409.565 3.656 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)[C@H](C)C1 ZINC000481308380 994125772 /nfs/dbraw/zinc/12/57/72/994125772.db2.gz LFMCLVYNIIQFMT-BWKNWUBXSA-N 2 1 422.617 3.871 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)[C@H](C)C1 ZINC000481308380 994125777 /nfs/dbraw/zinc/12/57/77/994125777.db2.gz LFMCLVYNIIQFMT-BWKNWUBXSA-N 2 1 422.617 3.871 20 0 HHADMP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000473502560 994350825 /nfs/dbraw/zinc/35/08/25/994350825.db2.gz KKXBRZDYYXVMLE-HXUWFJFHSA-N 2 1 415.626 3.599 20 0 HHADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000473502560 994350835 /nfs/dbraw/zinc/35/08/35/994350835.db2.gz KKXBRZDYYXVMLE-HXUWFJFHSA-N 2 1 415.626 3.599 20 0 HHADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000473502560 994350845 /nfs/dbraw/zinc/35/08/45/994350845.db2.gz KKXBRZDYYXVMLE-HXUWFJFHSA-N 2 1 415.626 3.599 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cccc(N2CCCC2=O)c1 ZINC000481540578 994372820 /nfs/dbraw/zinc/37/28/20/994372820.db2.gz GDLITFFVYDBPBJ-VQTJNVASSA-N 2 1 407.558 3.885 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cccc(N2CCCC2=O)c1 ZINC000481540578 994372830 /nfs/dbraw/zinc/37/28/30/994372830.db2.gz GDLITFFVYDBPBJ-VQTJNVASSA-N 2 1 407.558 3.885 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cccc(N2CCOCC2)c1 ZINC000481558342 994392248 /nfs/dbraw/zinc/39/22/48/994392248.db2.gz QGHICKUOXFNZGY-SFTDATJTSA-N 2 1 409.574 3.595 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cccc(N2CCOCC2)c1 ZINC000481558342 994392256 /nfs/dbraw/zinc/39/22/56/994392256.db2.gz QGHICKUOXFNZGY-SFTDATJTSA-N 2 1 409.574 3.595 20 0 HHADMP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1 ZINC000481575184 994412689 /nfs/dbraw/zinc/41/26/89/994412689.db2.gz PQOBAGDHISXDLP-OAHLLOKOSA-N 2 1 416.522 3.932 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000481585813 994429665 /nfs/dbraw/zinc/42/96/65/994429665.db2.gz WOQXEJUILFFGFG-ZWKOTPCHSA-N 2 1 407.558 3.988 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000481585813 994429677 /nfs/dbraw/zinc/42/96/77/994429677.db2.gz WOQXEJUILFFGFG-ZWKOTPCHSA-N 2 1 407.558 3.988 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC000481686195 994546453 /nfs/dbraw/zinc/54/64/53/994546453.db2.gz OGUFEHRCIIDBQI-URXFXBBRSA-N 2 1 408.590 3.861 20 0 HHADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481915209 994787385 /nfs/dbraw/zinc/78/73/85/994787385.db2.gz LMQSJINTAFCPMI-QFBILLFUSA-N 2 1 416.031 3.801 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000473889072 994839505 /nfs/dbraw/zinc/83/95/05/994839505.db2.gz ZWQURZLICPTROC-FSSWDIPSSA-N 2 1 414.638 3.954 20 0 HHADMP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000473893336 994847397 /nfs/dbraw/zinc/84/73/97/994847397.db2.gz ARHDMPVASXSGJF-OAQYLSRUSA-N 2 1 412.603 3.583 20 0 HHADMP CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000473893336 994847406 /nfs/dbraw/zinc/84/74/06/994847406.db2.gz ARHDMPVASXSGJF-OAQYLSRUSA-N 2 1 412.603 3.583 20 0 HHADMP CN(CC[NH+](C)C1CC1)C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000473893336 994847414 /nfs/dbraw/zinc/84/74/14/994847414.db2.gz ARHDMPVASXSGJF-OAQYLSRUSA-N 2 1 412.603 3.583 20 0 HHADMP CN(CC[NH+](C)C1CC1)C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000473893336 994847424 /nfs/dbraw/zinc/84/74/24/994847424.db2.gz ARHDMPVASXSGJF-OAQYLSRUSA-N 2 1 412.603 3.583 20 0 HHADMP CC[C@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000482002139 994904017 /nfs/dbraw/zinc/90/40/17/994904017.db2.gz ZXAWAAKVTZSCRO-QAPCUYQASA-N 2 1 402.004 3.553 20 0 HHADMP CCN(C(=O)NCCC1CC[NH+](CC)CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000474027648 995019403 /nfs/dbraw/zinc/01/94/03/995019403.db2.gz JJKCZYMYLVLEJM-NZQKXSOJSA-N 2 1 400.611 3.975 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)c1)C1CCOCC1 ZINC000474055359 995043931 /nfs/dbraw/zinc/04/39/31/995043931.db2.gz SSGYJBOAJLACIK-GVXSCFBNSA-N 2 1 416.606 3.861 20 0 HHADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000482237573 995220068 /nfs/dbraw/zinc/22/00/68/995220068.db2.gz FJFGURZNNHORQH-INIZCTEOSA-N 2 1 403.954 3.881 20 0 HHADMP CC(=O)N1CC[NH+](CCOc2ccc(CC[NH2+][C@H](C)c3ccc(C)c(C)c3)cc2)CC1 ZINC000482241317 995222916 /nfs/dbraw/zinc/22/29/16/995222916.db2.gz INGOHNSJQMRCHJ-JOCHJYFZSA-N 2 1 423.601 3.740 20 0 HHADMP O=C(NC1CC[NH+](CC2CC2)CC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482284519 995263472 /nfs/dbraw/zinc/26/34/72/995263472.db2.gz BQFLEQLVEUOPGZ-LADGPHEKSA-N 2 1 410.606 3.557 20 0 HHADMP Cc1ccccc1-n1nccc1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000474278607 995274540 /nfs/dbraw/zinc/27/45/40/995274540.db2.gz XAJNNPMFDIQZIM-UHFFFAOYSA-N 2 1 409.622 3.809 20 0 HHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccc3c(c2)OCO3)C2(C)CCCC2)CC1 ZINC000474294254 995285158 /nfs/dbraw/zinc/28/51/58/995285158.db2.gz SAYSZTXUCCNDHH-UHFFFAOYSA-N 2 1 415.578 3.539 20 0 HHADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000474365274 995344760 /nfs/dbraw/zinc/34/47/60/995344760.db2.gz ICPVUROVQBQMHH-QGZVFWFLSA-N 2 1 410.400 3.640 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000474365274 995344765 /nfs/dbraw/zinc/34/47/65/995344765.db2.gz ICPVUROVQBQMHH-QGZVFWFLSA-N 2 1 410.400 3.640 20 0 HHADMP CC[NH+]1CCN(c2ccccc2NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000474367881 995348645 /nfs/dbraw/zinc/34/86/45/995348645.db2.gz QJPDXVOLIZIKOD-QFIPXVFZSA-N 2 1 421.589 3.567 20 0 HHADMP C[C@H](NC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000474429366 995391954 /nfs/dbraw/zinc/39/19/54/995391954.db2.gz FWMLGLZRMLDXKM-SFYKDHMMSA-N 2 1 410.562 3.893 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)[C@H](C)C1 ZINC000482455076 995456457 /nfs/dbraw/zinc/45/64/57/995456457.db2.gz FTLIQTXJOGZUIW-LMNJBCLMSA-N 2 1 424.427 3.754 20 0 HHADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCCc3nc(-c4ccc(Cl)cc4)sc32)CC1 ZINC000482456915 995458233 /nfs/dbraw/zinc/45/82/33/995458233.db2.gz PSLGCBHIEIAEOW-QGZVFWFLSA-N 2 1 418.994 3.595 20 0 HHADMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc2ccccc2c1OC(F)F ZINC000482543047 995551168 /nfs/dbraw/zinc/55/11/68/995551168.db2.gz KPCFKBLRKMHLMC-DOTOQJQBSA-N 2 1 405.489 3.679 20 0 HHADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc2ccccc2c1OC(F)F ZINC000482543047 995551178 /nfs/dbraw/zinc/55/11/78/995551178.db2.gz KPCFKBLRKMHLMC-DOTOQJQBSA-N 2 1 405.489 3.679 20 0 HHADMP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)CCC3)cc1 ZINC000482550408 995557704 /nfs/dbraw/zinc/55/77/04/995557704.db2.gz QGWWYLVDJSKVDX-RBUKOAKNSA-N 2 1 412.603 3.673 20 0 HHADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000482555556 995562980 /nfs/dbraw/zinc/56/29/80/995562980.db2.gz ZFXKJTMXWLZLKS-OAQYLSRUSA-N 2 1 421.589 3.592 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000474634055 995580610 /nfs/dbraw/zinc/58/06/10/995580610.db2.gz LFJMODYHQFACJM-OWXVKCJTSA-N 2 1 420.548 3.805 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000474634055 995580618 /nfs/dbraw/zinc/58/06/18/995580618.db2.gz LFJMODYHQFACJM-OWXVKCJTSA-N 2 1 420.548 3.805 20 0 HHADMP COC1CC[NH+](C2(CN[C@H](C)c3cccc(OCC[NH+](C)C)c3)CCCC2)CC1 ZINC000482642819 995637890 /nfs/dbraw/zinc/63/78/90/995637890.db2.gz CMGSUVWYSCXZPS-HXUWFJFHSA-N 2 1 403.611 3.701 20 0 HHADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000474903852 995790646 /nfs/dbraw/zinc/79/06/46/995790646.db2.gz ZIQVHOPMDSJCDE-INIZCTEOSA-N 2 1 406.534 3.849 20 0 HHADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000474903852 995790653 /nfs/dbraw/zinc/79/06/53/995790653.db2.gz ZIQVHOPMDSJCDE-INIZCTEOSA-N 2 1 406.534 3.849 20 0 HHADMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000482856316 995795604 /nfs/dbraw/zinc/79/56/04/995795604.db2.gz JRDSGKYMPAEGFM-HUUCEWRRSA-N 2 1 416.393 3.682 20 0 HHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000482877971 995811543 /nfs/dbraw/zinc/81/15/43/995811543.db2.gz SJVVFQIFTSWOGH-QGZVFWFLSA-N 2 1 414.377 3.739 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000482883924 995816220 /nfs/dbraw/zinc/81/62/20/995816220.db2.gz DGWPGTIHNZGVRX-HNNXBMFYSA-N 2 1 417.541 3.934 20 0 HHADMP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000475147744 995953477 /nfs/dbraw/zinc/95/34/77/995953477.db2.gz HRLHPPIWSKJKAU-SANMLTNESA-N 2 1 420.601 3.946 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccccc1 ZINC000475158710 995960051 /nfs/dbraw/zinc/96/00/51/995960051.db2.gz ZPZPNRWMNBDVFQ-RTBURBONSA-N 2 1 411.443 3.828 20 0 HHADMP C[C@H](CC[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)OCc1ccccc1 ZINC000475315566 996065244 /nfs/dbraw/zinc/06/52/44/996065244.db2.gz AMKUZOMHCCYXHI-FSSWDIPSSA-N 2 1 404.595 3.572 20 0 HHADMP C[C@@H](c1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1)[NH+]1CCOCC1 ZINC000483336647 996106884 /nfs/dbraw/zinc/10/68/84/996106884.db2.gz FUPPAPUDWSQTMP-IBGZPJMESA-N 2 1 400.567 3.562 20 0 HHADMP CS[C@@H]1CN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C[C@H]1[NH+]1CCCC1 ZINC000483387981 996144731 /nfs/dbraw/zinc/14/47/31/996144731.db2.gz CTKMPEZWGCKMDR-DNQXCXABSA-N 2 1 423.626 3.970 20 0 HHADMP CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000483409620 996159647 /nfs/dbraw/zinc/15/96/47/996159647.db2.gz ULFNQXYRRXRIIB-MRXNPFEDSA-N 2 1 411.512 3.701 20 0 HHADMP O[C@H](COc1cccc2[nH]ccc21)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483508797 996224243 /nfs/dbraw/zinc/22/42/43/996224243.db2.gz BLBSIAVLDMBGLW-OTNCWRBYSA-N 2 1 419.569 3.894 20 0 HHADMP O[C@H](COc1cccc2[nH]ccc21)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483508797 996224250 /nfs/dbraw/zinc/22/42/50/996224250.db2.gz BLBSIAVLDMBGLW-OTNCWRBYSA-N 2 1 419.569 3.894 20 0 HHADMP O[C@H](COc1cccc2[nH]ccc21)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483508797 996224255 /nfs/dbraw/zinc/22/42/55/996224255.db2.gz BLBSIAVLDMBGLW-OTNCWRBYSA-N 2 1 419.569 3.894 20 0 HHADMP O[C@H](COc1cccc2[nH]ccc21)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483508797 996224264 /nfs/dbraw/zinc/22/42/64/996224264.db2.gz BLBSIAVLDMBGLW-OTNCWRBYSA-N 2 1 419.569 3.894 20 0 HHADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000483622590 996291901 /nfs/dbraw/zinc/29/19/01/996291901.db2.gz JHJBBOSMFLWFOT-JOCHJYFZSA-N 2 1 412.622 3.949 20 0 HHADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000483622591 996292021 /nfs/dbraw/zinc/29/20/21/996292021.db2.gz JHJBBOSMFLWFOT-QFIPXVFZSA-N 2 1 412.622 3.949 20 0 HHADMP COc1cccc(COC[C@H](O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475736930 996335953 /nfs/dbraw/zinc/33/59/53/996335953.db2.gz XYYUOGGBNRBXBD-RSXGOPAZSA-N 2 1 424.585 3.561 20 0 HHADMP COc1cccc(COC[C@H](O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000475736930 996335957 /nfs/dbraw/zinc/33/59/57/996335957.db2.gz XYYUOGGBNRBXBD-RSXGOPAZSA-N 2 1 424.585 3.561 20 0 HHADMP COc1cccc(COC[C@H](O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000475736930 996335961 /nfs/dbraw/zinc/33/59/61/996335961.db2.gz XYYUOGGBNRBXBD-RSXGOPAZSA-N 2 1 424.585 3.561 20 0 HHADMP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000483715691 996345801 /nfs/dbraw/zinc/34/58/01/996345801.db2.gz XEHOIYSNSPEOQN-VQTJNVASSA-N 2 1 415.603 3.788 20 0 HHADMP C[C@H](CC[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccccc1 ZINC000483715689 996346094 /nfs/dbraw/zinc/34/60/94/996346094.db2.gz XEHOIYSNSPEOQN-UXHICEINSA-N 2 1 415.603 3.788 20 0 HHADMP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C[C@H]1C ZINC000483774020 996378248 /nfs/dbraw/zinc/37/82/48/996378248.db2.gz CILPIXUYJBMLDX-KNQAVFIVSA-N 2 1 412.578 3.926 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C[C@H]1C ZINC000483774020 996378255 /nfs/dbraw/zinc/37/82/55/996378255.db2.gz CILPIXUYJBMLDX-KNQAVFIVSA-N 2 1 412.578 3.926 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C[C@H]1C ZINC000483774020 996378262 /nfs/dbraw/zinc/37/82/62/996378262.db2.gz CILPIXUYJBMLDX-KNQAVFIVSA-N 2 1 412.578 3.926 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C[C@H]1C ZINC000483774020 996378266 /nfs/dbraw/zinc/37/82/66/996378266.db2.gz CILPIXUYJBMLDX-KNQAVFIVSA-N 2 1 412.578 3.926 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000475900422 996454688 /nfs/dbraw/zinc/45/46/88/996454688.db2.gz WAYCKBFLYIEERO-RUZDIDTESA-N 2 1 412.622 3.806 20 0 HHADMP CCCC[NH+]1CCC(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000475900322 996454770 /nfs/dbraw/zinc/45/47/70/996454770.db2.gz OUQVYJOWIJJLOP-VWLOTQADSA-N 2 1 412.622 3.949 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000476024689 996550286 /nfs/dbraw/zinc/55/02/86/996550286.db2.gz RFDKVANIXNHLEB-RUZDIDTESA-N 2 1 412.622 3.806 20 0 HHADMP Cc1c([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)nnn1-c1ccc(C)cc1 ZINC000484301904 996689762 /nfs/dbraw/zinc/68/97/62/996689762.db2.gz WATBKYMTXPNZBG-KRWDZBQOSA-N 2 1 405.550 3.611 20 0 HHADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000484341014 996714818 /nfs/dbraw/zinc/71/48/18/996714818.db2.gz ICWDLUIVQLRVGB-NEWSRXKRSA-N 2 1 411.512 3.676 20 0 HHADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000484341014 996714822 /nfs/dbraw/zinc/71/48/22/996714822.db2.gz ICWDLUIVQLRVGB-NEWSRXKRSA-N 2 1 411.512 3.676 20 0 HHADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000484341014 996714831 /nfs/dbraw/zinc/71/48/31/996714831.db2.gz ICWDLUIVQLRVGB-NEWSRXKRSA-N 2 1 411.512 3.676 20 0 HHADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000484341014 996714834 /nfs/dbraw/zinc/71/48/34/996714834.db2.gz ICWDLUIVQLRVGB-NEWSRXKRSA-N 2 1 411.512 3.676 20 0 HHADMP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000484493943 996817164 /nfs/dbraw/zinc/81/71/64/996817164.db2.gz DBOWFVLFTVEABP-KCESLBEFSA-N 2 1 415.603 3.865 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1F ZINC000476378176 996817544 /nfs/dbraw/zinc/81/75/44/996817544.db2.gz HUMDWBXJCMPHEH-UHFFFAOYSA-N 2 1 404.574 3.685 20 0 HHADMP COc1cc(CN2CC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)C2)cc(OC)c1 ZINC000484617508 996950698 /nfs/dbraw/zinc/95/06/98/996950698.db2.gz IKPNTVYBIWGUQI-UVWWXKGLSA-N 2 1 423.601 3.778 20 0 HHADMP COc1cc(CN2CC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)C2)cc(OC)c1 ZINC000484617508 996950714 /nfs/dbraw/zinc/95/07/14/996950714.db2.gz IKPNTVYBIWGUQI-UVWWXKGLSA-N 2 1 423.601 3.778 20 0 HHADMP CC(C)[N@H+](Cc1ccc(NC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1)C[C@@H]1CCCCO1 ZINC000484656669 996993830 /nfs/dbraw/zinc/99/38/30/996993830.db2.gz RKGZSXRFOMQKID-GGAORHGYSA-N 2 1 416.610 3.882 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@H]2CCCCc3ccccc32)c1 ZINC000476533742 997022943 /nfs/dbraw/zinc/02/29/43/997022943.db2.gz KTJPUUPTDVEPLI-DEOSSOPVSA-N 2 1 407.558 3.905 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccsc1 ZINC000476728042 997277323 /nfs/dbraw/zinc/27/73/23/997277323.db2.gz PICAGXRFOOPEOY-LEWJYISDSA-N 2 1 400.592 3.561 20 0 HHADMP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000476800475 997348965 /nfs/dbraw/zinc/34/89/65/997348965.db2.gz BTIBYTIPGTZFFQ-FXAWDEMLSA-N 2 1 422.017 3.676 20 0 HHADMP CC[NH+](CC)CCOc1cc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)ccc1OC ZINC000485000057 997363509 /nfs/dbraw/zinc/36/35/09/997363509.db2.gz FDPMQIPBMAEYBR-QUCCMNQESA-N 2 1 420.598 3.752 20 0 HHADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476972993 997592881 /nfs/dbraw/zinc/59/28/81/997592881.db2.gz NASDKXRVKUYCSG-RTBURBONSA-N 2 1 415.578 3.761 20 0 HHADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476972993 997592887 /nfs/dbraw/zinc/59/28/87/997592887.db2.gz NASDKXRVKUYCSG-RTBURBONSA-N 2 1 415.578 3.761 20 0 HHADMP CCN(CC[NH+]1CCCCCC1)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000485247145 997632229 /nfs/dbraw/zinc/63/22/29/997632229.db2.gz REBWJKBPRIMPJY-UHFFFAOYSA-N 2 1 401.530 3.727 20 0 HHADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3C(=O)c3ccccc3)CC[C@H]21 ZINC000485308557 997716655 /nfs/dbraw/zinc/71/66/55/997716655.db2.gz HCEDQVYCPURJGV-NFBKMPQASA-N 2 1 405.542 3.662 20 0 HHADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3C(=O)c3ccccc3)CC[C@H]21 ZINC000485308557 997716661 /nfs/dbraw/zinc/71/66/61/997716661.db2.gz HCEDQVYCPURJGV-NFBKMPQASA-N 2 1 405.542 3.662 20 0 HHADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3C(=O)c3ccccc3)CC[C@H]21 ZINC000485308557 997716671 /nfs/dbraw/zinc/71/66/71/997716671.db2.gz HCEDQVYCPURJGV-NFBKMPQASA-N 2 1 405.542 3.662 20 0 HHADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3C(=O)c3ccccc3)CC[C@H]21 ZINC000485308557 997716681 /nfs/dbraw/zinc/71/66/81/997716681.db2.gz HCEDQVYCPURJGV-NFBKMPQASA-N 2 1 405.542 3.662 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)NC[C@@H](C3CC3)[N@H+](C)Cc3ccccc3)CC2)[nH+]c1 ZINC000477075965 997728302 /nfs/dbraw/zinc/72/83/02/997728302.db2.gz OEUCOKHJBFHWLB-QHCPKHFHSA-N 2 1 421.589 3.569 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)NC[C@@H](C3CC3)[N@@H+](C)Cc3ccccc3)CC2)[nH+]c1 ZINC000477075965 997728311 /nfs/dbraw/zinc/72/83/11/997728311.db2.gz OEUCOKHJBFHWLB-QHCPKHFHSA-N 2 1 421.589 3.569 20 0 HHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000485394852 997822731 /nfs/dbraw/zinc/82/27/31/997822731.db2.gz AXWCPFGDOWZWQM-FQEVSTJZSA-N 2 1 400.611 3.934 20 0 HHADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000485394852 997822741 /nfs/dbraw/zinc/82/27/41/997822741.db2.gz AXWCPFGDOWZWQM-FQEVSTJZSA-N 2 1 400.611 3.934 20 0 HHADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000485394852 997822746 /nfs/dbraw/zinc/82/27/46/997822746.db2.gz AXWCPFGDOWZWQM-FQEVSTJZSA-N 2 1 400.611 3.934 20 0 HHADMP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC1 ZINC000477162627 997825932 /nfs/dbraw/zinc/82/59/32/997825932.db2.gz OENSZYKEFMDVDC-NRFANRHFSA-N 2 1 407.002 3.867 20 0 HHADMP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1 ZINC000477162627 997825943 /nfs/dbraw/zinc/82/59/43/997825943.db2.gz OENSZYKEFMDVDC-NRFANRHFSA-N 2 1 407.002 3.867 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccco1 ZINC000485465741 997910649 /nfs/dbraw/zinc/91/06/49/997910649.db2.gz NQFXTMWXFVBHEA-FDFHNCONSA-N 2 1 410.562 3.578 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccco1 ZINC000485465741 997910659 /nfs/dbraw/zinc/91/06/59/997910659.db2.gz NQFXTMWXFVBHEA-FDFHNCONSA-N 2 1 410.562 3.578 20 0 HHADMP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000477280130 997959659 /nfs/dbraw/zinc/95/96/59/997959659.db2.gz SMWWUFJODWWGIE-QILAJZQNSA-N 2 1 420.601 3.955 20 0 HHADMP C[NH+](C)CCn1ccc2ccc(NC(=O)c3cnn(-c4cc[nH+]cc4)c3C(F)F)cc21 ZINC000485518225 997975102 /nfs/dbraw/zinc/97/51/02/997975102.db2.gz LWALMQPQDAUZPF-UHFFFAOYSA-N 2 1 424.455 3.974 20 0 HHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](C)c3ccc4ncsc4c3)CC2)cc1 ZINC000485839968 998305614 /nfs/dbraw/zinc/30/56/14/998305614.db2.gz JNQCIFJSHRBRHO-IBGZPJMESA-N 2 1 422.598 3.990 20 0 HHADMP Cc1cc(C)c2c(c1)C[N@H+]([C@@H](C)C(=O)NC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000485856771 998318710 /nfs/dbraw/zinc/31/87/10/998318710.db2.gz HGNFJKCMSGGNPB-NRFANRHFSA-N 2 1 405.586 3.831 20 0 HHADMP Cc1cc(C)c2c(c1)C[N@@H+]([C@@H](C)C(=O)NC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000485856771 998318724 /nfs/dbraw/zinc/31/87/24/998318724.db2.gz HGNFJKCMSGGNPB-NRFANRHFSA-N 2 1 405.586 3.831 20 0 HHADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc[nH+]1 ZINC000485987477 998430250 /nfs/dbraw/zinc/43/02/50/998430250.db2.gz YQDVELGIEYZCRM-GMAHTHKFSA-N 2 1 424.593 3.840 20 0 HHADMP CC(C)[C@H]1OCCC[C@@H]1Nc1nc(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc[nH+]1 ZINC000486011555 998455599 /nfs/dbraw/zinc/45/55/99/998455599.db2.gz YGTRXCAHQQOQJM-BAMDZGJYSA-N 2 1 424.593 3.616 20 0 HHADMP CC(C)[C@H]1OCCC[C@@H]1Nc1nc(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc[nH+]1 ZINC000486011555 998455603 /nfs/dbraw/zinc/45/56/03/998455603.db2.gz YGTRXCAHQQOQJM-BAMDZGJYSA-N 2 1 424.593 3.616 20 0 HHADMP C[C@H](NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486315815 998708927 /nfs/dbraw/zinc/70/89/27/998708927.db2.gz CONNKDIUKVKFNT-TUSQITKMSA-N 2 1 420.601 3.861 20 0 HHADMP C[C@H](NC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486315815 998708932 /nfs/dbraw/zinc/70/89/32/998708932.db2.gz CONNKDIUKVKFNT-TUSQITKMSA-N 2 1 420.601 3.861 20 0 HHADMP C[C@H](NC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486315815 998708939 /nfs/dbraw/zinc/70/89/39/998708939.db2.gz CONNKDIUKVKFNT-TUSQITKMSA-N 2 1 420.601 3.861 20 0 HHADMP C[C@@H](NC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486319704 998711036 /nfs/dbraw/zinc/71/10/36/998711036.db2.gz KJGTZTIPMDUPGR-KCZVDYSFSA-N 2 1 400.611 3.707 20 0 HHADMP C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486319704 998711039 /nfs/dbraw/zinc/71/10/39/998711039.db2.gz KJGTZTIPMDUPGR-KCZVDYSFSA-N 2 1 400.611 3.707 20 0 HHADMP C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486319704 998711045 /nfs/dbraw/zinc/71/10/45/998711045.db2.gz KJGTZTIPMDUPGR-KCZVDYSFSA-N 2 1 400.611 3.707 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cccs1 ZINC000478031567 998724222 /nfs/dbraw/zinc/72/42/22/998724222.db2.gz VFOXQDKYZXCQKS-WOJBJXKFSA-N 2 1 400.592 3.561 20 0 HHADMP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000478033845 998725449 /nfs/dbraw/zinc/72/54/49/998725449.db2.gz CZVPKGLEOADVKT-RBUKOAKNSA-N 2 1 414.594 3.949 20 0 HHADMP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000478033845 998725451 /nfs/dbraw/zinc/72/54/51/998725451.db2.gz CZVPKGLEOADVKT-RBUKOAKNSA-N 2 1 414.594 3.949 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000478052825 998737965 /nfs/dbraw/zinc/73/79/65/998737965.db2.gz HWVLJRKUMXCZOJ-KRWDZBQOSA-N 2 1 402.970 3.824 20 0 HHADMP C[NH+]1CCC(CC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000486400024 998748467 /nfs/dbraw/zinc/74/84/67/998748467.db2.gz CYYNJHYJDGFUSF-RXVVDRJESA-N 2 1 411.512 3.936 20 0 HHADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3nc(-c4ccc(F)c(F)c4)no3)CC2)C[C@H](C)O1 ZINC000486781744 998937744 /nfs/dbraw/zinc/93/77/44/998937744.db2.gz TZXLLODPETYGQF-HOTGVXAUSA-N 2 1 420.504 3.726 20 0 HHADMP C[C@H]1C[C@H](N(C)C(=O)NCC(C)(C)C[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000478408804 998942320 /nfs/dbraw/zinc/94/23/20/998942320.db2.gz BFIYVDNIWXGIIG-RBBKRZOGSA-N 2 1 400.611 3.803 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000478411948 998943537 /nfs/dbraw/zinc/94/35/37/998943537.db2.gz DJARICRXGCKDDA-QFIPXVFZSA-N 2 1 400.611 3.662 20 0 HHADMP C[C@H](NC(=O)NCCCCC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486964355 999020315 /nfs/dbraw/zinc/02/03/15/999020315.db2.gz KBPIRQLNOAWNLC-JTHBVZDNSA-N 2 1 400.611 3.852 20 0 HHADMP c1ccc(C[N@H+]2CCC[C@@H]2CN2CCCC2)c(CN2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000486977436 999025082 /nfs/dbraw/zinc/02/50/82/999025082.db2.gz OZHUIKIGLXLBQE-CLJLJLNGSA-N 2 1 410.650 3.807 20 0 HHADMP c1ccc(C[N@@H+]2CCC[C@@H]2CN2CCCC2)c(CN2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000486977436 999025086 /nfs/dbraw/zinc/02/50/86/999025086.db2.gz OZHUIKIGLXLBQE-CLJLJLNGSA-N 2 1 410.650 3.807 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C(=O)C2CCC2)cc1 ZINC000487006436 999033524 /nfs/dbraw/zinc/03/35/24/999033524.db2.gz FLOGKBNSGSANHM-OAQYLSRUSA-N 2 1 400.567 3.549 20 0 HHADMP C[C@@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487262257 999116785 /nfs/dbraw/zinc/11/67/85/999116785.db2.gz AYSABSOKHYZCLW-YKSBVNFPSA-N 2 1 423.626 3.876 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000478795365 999144565 /nfs/dbraw/zinc/14/45/65/999144565.db2.gz IRIURCVWDLCEAQ-QFIPXVFZSA-N 2 1 400.542 3.768 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000487520376 999206411 /nfs/dbraw/zinc/20/64/11/999206411.db2.gz PJSOZOGSPLTCBL-PXDATVDWSA-N 2 1 420.601 3.861 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000487801443 999294097 /nfs/dbraw/zinc/29/40/97/999294097.db2.gz PEPMIJDUCAYQOI-FGZHOGPDSA-N 2 1 422.564 3.910 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000487801443 999294101 /nfs/dbraw/zinc/29/41/01/999294101.db2.gz PEPMIJDUCAYQOI-FGZHOGPDSA-N 2 1 422.564 3.910 20 0 HHADMP O=C([C@@H](c1ccccc1)[NH+]1CCSCC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000487875966 999301303 /nfs/dbraw/zinc/30/13/03/999301303.db2.gz PPIWFGJKEXFCTL-FYYLOGMGSA-N 2 1 415.647 3.891 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000487950302 999326078 /nfs/dbraw/zinc/32/60/78/999326078.db2.gz GWDPMGFPVFYVQW-ACQPOBLQSA-N 2 1 422.564 3.908 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000487950302 999326083 /nfs/dbraw/zinc/32/60/83/999326083.db2.gz GWDPMGFPVFYVQW-ACQPOBLQSA-N 2 1 422.564 3.908 20 0 HHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488077178 999368853 /nfs/dbraw/zinc/36/88/53/999368853.db2.gz RYABQTAEUFILMW-PQNGQFLHSA-N 2 1 408.590 3.717 20 0 HHADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488077178 999368859 /nfs/dbraw/zinc/36/88/59/999368859.db2.gz RYABQTAEUFILMW-PQNGQFLHSA-N 2 1 408.590 3.717 20 0 HHADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488077178 999368865 /nfs/dbraw/zinc/36/88/65/999368865.db2.gz RYABQTAEUFILMW-PQNGQFLHSA-N 2 1 408.590 3.717 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)c1cccc(OC)c1 ZINC000488127784 999385008 /nfs/dbraw/zinc/38/50/08/999385008.db2.gz KTTUZGZRALDDOT-XXBNENTESA-N 2 1 416.610 3.594 20 0 HHADMP COc1cc2c(cc1OC)[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)CC2 ZINC000479335905 999391292 /nfs/dbraw/zinc/39/12/92/999391292.db2.gz MYJSKKXDVGPXLT-DHIUTWEWSA-N 2 1 409.574 3.660 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000479356964 999401036 /nfs/dbraw/zinc/40/10/36/999401036.db2.gz YFRAGQBVWRWOFJ-OWADITBSSA-N 2 1 412.622 3.931 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000479356964 999401039 /nfs/dbraw/zinc/40/10/39/999401039.db2.gz YFRAGQBVWRWOFJ-OWADITBSSA-N 2 1 412.622 3.931 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000479356964 999401042 /nfs/dbraw/zinc/40/10/42/999401042.db2.gz YFRAGQBVWRWOFJ-OWADITBSSA-N 2 1 412.622 3.931 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000479357089 999401508 /nfs/dbraw/zinc/40/15/08/999401508.db2.gz HNMUQTOQTFKOFM-NZQKXSOJSA-N 2 1 400.611 3.790 20 0 HHADMP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000488348626 999451739 /nfs/dbraw/zinc/45/17/39/999451739.db2.gz WZBWZSPLYHUCFW-RUZDIDTESA-N 2 1 405.586 3.894 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000488478570 999501429 /nfs/dbraw/zinc/50/14/29/999501429.db2.gz PNTLBZWSVYIENC-YKSBVNFPSA-N 2 1 423.626 3.876 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488564331 999529255 /nfs/dbraw/zinc/52/92/55/999529255.db2.gz WSWSAXMBFHUAFX-KXTAGPOFSA-N 2 1 420.601 3.859 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488564331 999529259 /nfs/dbraw/zinc/52/92/59/999529259.db2.gz WSWSAXMBFHUAFX-KXTAGPOFSA-N 2 1 420.601 3.859 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488564331 999529260 /nfs/dbraw/zinc/52/92/60/999529260.db2.gz WSWSAXMBFHUAFX-KXTAGPOFSA-N 2 1 420.601 3.859 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488564336 999529322 /nfs/dbraw/zinc/52/93/22/999529322.db2.gz WSWSAXMBFHUAFX-WIHVIGOGSA-N 2 1 420.601 3.859 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488564336 999529325 /nfs/dbraw/zinc/52/93/25/999529325.db2.gz WSWSAXMBFHUAFX-WIHVIGOGSA-N 2 1 420.601 3.859 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488564336 999529326 /nfs/dbraw/zinc/52/93/26/999529326.db2.gz WSWSAXMBFHUAFX-WIHVIGOGSA-N 2 1 420.601 3.859 20 0 HHADMP C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488596045 999540300 /nfs/dbraw/zinc/54/03/00/999540300.db2.gz NAFKMLCWVLDGOI-OFVILXPXSA-N 2 1 420.601 3.992 20 0 HHADMP C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488616190 999546980 /nfs/dbraw/zinc/54/69/80/999546980.db2.gz VNQOTIZBEQVCCO-WIOPSUGQSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@H](NC(=O)N1CCC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488616190 999546988 /nfs/dbraw/zinc/54/69/88/999546988.db2.gz VNQOTIZBEQVCCO-WIOPSUGQSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@H](NC(=O)N1CCC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488616190 999546990 /nfs/dbraw/zinc/54/69/90/999546990.db2.gz VNQOTIZBEQVCCO-WIOPSUGQSA-N 2 1 420.601 3.815 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)NC[C@@]3(C)CCC[N@@H+]3Cc3ccccc3)CC2)[nH+]1 ZINC000488923489 999648395 /nfs/dbraw/zinc/64/83/95/999648395.db2.gz YZKYPGSWDAGUPE-RUZDIDTESA-N 2 1 421.589 3.713 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)NC[C@@]3(C)CCC[N@H+]3Cc3ccccc3)CC2)[nH+]1 ZINC000488923489 999648398 /nfs/dbraw/zinc/64/83/98/999648398.db2.gz YZKYPGSWDAGUPE-RUZDIDTESA-N 2 1 421.589 3.713 20 0 HHADMP Ic1ccc2c(c1)[C@@H]([NH2+]CCC[NH+]1CCCC1)CCCO2 ZINC000480156895 999733034 /nfs/dbraw/zinc/73/30/34/999733034.db2.gz CNBRZOQBBAWQEG-INIZCTEOSA-N 2 1 400.304 3.580 20 0 HHADMP C[N@@H+](CCN(Cc1ccccc1)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1)Cc1ccccc1 ZINC000489292883 999738815 /nfs/dbraw/zinc/73/88/15/999738815.db2.gz JWXJNGMGXUCVOO-DEOSSOPVSA-N 2 1 420.601 3.815 20 0 HHADMP C[NH+](CCN(Cc1ccccc1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000489292883 999738818 /nfs/dbraw/zinc/73/88/18/999738818.db2.gz JWXJNGMGXUCVOO-DEOSSOPVSA-N 2 1 420.601 3.815 20 0 HHADMP C[NH+](CCN(Cc1ccccc1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000489292883 999738820 /nfs/dbraw/zinc/73/88/20/999738820.db2.gz JWXJNGMGXUCVOO-DEOSSOPVSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000480233318 999752370 /nfs/dbraw/zinc/75/23/70/999752370.db2.gz UZOBICCLVWPEFP-BXPHIWAKSA-N 2 1 400.588 3.884 20 0 HHADMP C[NH+]1CCC[C@@H]2C[NH+](Cc3cccc(C[NH+]4CC[C@@H]5[C@H](CCC[N@@H+]5C)C4)c3)CC[C@H]21 ZINC000489399810 999759042 /nfs/dbraw/zinc/75/90/42/999759042.db2.gz ZCOMPNXOGDIYQB-VEYUFSJPSA-N 4 1 410.650 3.519 20 0 HHADMP C[NH+]1CCC[C@@H]2C[NH+](Cc3cccc(C[N@@H+]4CC[C@@H]5[C@H](CCC[NH+]5C)C4)c3)CC[C@H]21 ZINC000489399810 999759046 /nfs/dbraw/zinc/75/90/46/999759046.db2.gz ZCOMPNXOGDIYQB-VEYUFSJPSA-N 4 1 410.650 3.519 20 0 HHADMP C[NH+]1CCC[C@@H]2C[NH+](Cc3cccc(C[N@H+]4CC[C@@H]5[C@H](CCC[NH+]5C)C4)c3)CC[C@H]21 ZINC000489399810 999759048 /nfs/dbraw/zinc/75/90/48/999759048.db2.gz ZCOMPNXOGDIYQB-VEYUFSJPSA-N 3 1 410.650 3.519 20 0 HHADMP C[NH+]1CCC[C@@H]2C[NH+](Cc3cccc(CN4CC[C@@H]5[C@H](CCC[N@H+]5C)C4)c3)CC[C@H]21 ZINC000489399810 999759050 /nfs/dbraw/zinc/75/90/50/999759050.db2.gz ZCOMPNXOGDIYQB-VEYUFSJPSA-N 3 1 410.650 3.519 20 0 HHADMP C[NH+]1CCC[C@@H]2C[NH+](Cc3cccc(CN4CC[C@@H]5[C@H](CCC[N@@H+]5C)C4)c3)CC[C@H]21 ZINC000489399810 999759052 /nfs/dbraw/zinc/75/90/52/999759052.db2.gz ZCOMPNXOGDIYQB-VEYUFSJPSA-N 3 1 410.650 3.519 20 0 HHADMP C[NH+]1CCC[C@@H]2CN(Cc3cccc(C[N@@H+]4CC[C@@H]5[C@H](CCC[NH+]5C)C4)c3)CC[C@H]21 ZINC000489399810 999759057 /nfs/dbraw/zinc/75/90/57/999759057.db2.gz ZCOMPNXOGDIYQB-VEYUFSJPSA-N 3 1 410.650 3.519 20 0 HHADMP C[NH+]1CCC[C@@H]2CN(Cc3cccc(C[N@H+]4CC[C@@H]5[C@H](CCC[NH+]5C)C4)c3)CC[C@H]21 ZINC000489399810 999759058 /nfs/dbraw/zinc/75/90/58/999759058.db2.gz ZCOMPNXOGDIYQB-VEYUFSJPSA-N 3 1 410.650 3.519 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000489407762 999760694 /nfs/dbraw/zinc/76/06/94/999760694.db2.gz UUJMPHAZBFERBF-GBXCKJPGSA-N 2 1 408.590 3.848 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000489407762 999760695 /nfs/dbraw/zinc/76/06/95/999760695.db2.gz UUJMPHAZBFERBF-GBXCKJPGSA-N 2 1 408.590 3.848 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000489407762 999760697 /nfs/dbraw/zinc/76/06/97/999760697.db2.gz UUJMPHAZBFERBF-GBXCKJPGSA-N 2 1 408.590 3.848 20 0 HHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000489430280 999765755 /nfs/dbraw/zinc/76/57/55/999765755.db2.gz GRDODQKTCQKTIN-HBMCJLEFSA-N 2 1 400.611 3.659 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000489529435 999785283 /nfs/dbraw/zinc/78/52/83/999785283.db2.gz BMKPEPCGKBIKJW-AGILITTLSA-N 2 1 406.574 3.595 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000489529435 999785285 /nfs/dbraw/zinc/78/52/85/999785285.db2.gz BMKPEPCGKBIKJW-AGILITTLSA-N 2 1 406.574 3.595 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000489529435 999785287 /nfs/dbraw/zinc/78/52/87/999785287.db2.gz BMKPEPCGKBIKJW-AGILITTLSA-N 2 1 406.574 3.595 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000489529435 999785290 /nfs/dbraw/zinc/78/52/90/999785290.db2.gz BMKPEPCGKBIKJW-AGILITTLSA-N 2 1 406.574 3.595 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000489529438 999785314 /nfs/dbraw/zinc/78/53/14/999785314.db2.gz BMKPEPCGKBIKJW-QDSKXPNFSA-N 2 1 406.574 3.595 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000489529438 999785317 /nfs/dbraw/zinc/78/53/17/999785317.db2.gz BMKPEPCGKBIKJW-QDSKXPNFSA-N 2 1 406.574 3.595 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000489529438 999785319 /nfs/dbraw/zinc/78/53/19/999785319.db2.gz BMKPEPCGKBIKJW-QDSKXPNFSA-N 2 1 406.574 3.595 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000489529438 999785320 /nfs/dbraw/zinc/78/53/20/999785320.db2.gz BMKPEPCGKBIKJW-QDSKXPNFSA-N 2 1 406.574 3.595 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)[nH+]1 ZINC000489535819 999786995 /nfs/dbraw/zinc/78/69/95/999786995.db2.gz WWOBIAQERKCFEG-XXBNENTESA-N 2 1 421.589 3.569 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)CC2)[nH+]1 ZINC000489535819 999786997 /nfs/dbraw/zinc/78/69/97/999786997.db2.gz WWOBIAQERKCFEG-XXBNENTESA-N 2 1 421.589 3.569 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)cc2)C[C@H](C)O1 ZINC000480522152 999817700 /nfs/dbraw/zinc/81/77/00/999817700.db2.gz CJWCQVMUGOQRDX-MZKRTTBSSA-N 2 1 413.606 3.567 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)cc2)C[C@H](C)O1 ZINC000480522152 999817703 /nfs/dbraw/zinc/81/77/03/999817703.db2.gz CJWCQVMUGOQRDX-MZKRTTBSSA-N 2 1 413.606 3.567 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)cc2)C[C@H](C)O1 ZINC000480522152 999817704 /nfs/dbraw/zinc/81/77/04/999817704.db2.gz CJWCQVMUGOQRDX-MZKRTTBSSA-N 2 1 413.606 3.567 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000489821718 999844059 /nfs/dbraw/zinc/84/40/59/999844059.db2.gz BIUIRWXDNWYISF-SQJMNOBHSA-N 2 1 420.601 3.992 20 0 HHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000489832900 999846003 /nfs/dbraw/zinc/84/60/03/999846003.db2.gz CDCSIFVKKZYODP-WIOPSUGQSA-N 2 1 422.617 3.979 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000489844111 999848250 /nfs/dbraw/zinc/84/82/50/999848250.db2.gz XMVIAPBHFLZBSQ-RDPSFJRHSA-N 2 1 424.589 3.796 20 0 HHADMP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000489890938 999856431 /nfs/dbraw/zinc/85/64/31/999856431.db2.gz OPNKFNAIKVPKEP-UHFFFAOYSA-N 2 1 420.601 3.741 20 0 HHADMP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCOCC1)c1ccccc1 ZINC000480712191 999865500 /nfs/dbraw/zinc/86/55/00/999865500.db2.gz ILXLZZPFFLMDRH-RBBKRZOGSA-N 2 1 413.606 3.657 20 0 HHADMP COc1cccc([C@H]2[C@H](NC(=O)NCc3cccc(C[NH+](C)C)c3)CC[N@H+]2C2CC2)c1 ZINC000490088281 999891258 /nfs/dbraw/zinc/89/12/58/999891258.db2.gz LAHZFEUWHXIBSN-RPWUZVMVSA-N 2 1 422.573 3.534 20 0 HHADMP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490932094 1000025132 /nfs/dbraw/zinc/02/51/32/1000025132.db2.gz HOHCUPUJOZGPRT-HSZRJFAPSA-N 2 1 424.614 3.674 20 0 HHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000491031759 1000036717 /nfs/dbraw/zinc/03/67/17/1000036717.db2.gz NUZKVLOGVHXYIY-FDDCHVKYSA-N 2 1 411.571 3.919 20 0 HHADMP CC[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccc(F)cn1 ZINC000491054174 1000039642 /nfs/dbraw/zinc/03/96/42/1000039642.db2.gz QCQPXIOZLQVTJE-JOCHJYFZSA-N 2 1 401.526 3.951 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)cc2)C1 ZINC000491432141 1000074523 /nfs/dbraw/zinc/07/45/23/1000074523.db2.gz MUNWNEFVNFAZMG-LJQANCHMSA-N 2 1 424.593 3.703 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1)C(C)C ZINC000504660829 1000313673 /nfs/dbraw/zinc/31/36/73/1000313673.db2.gz CJQQEIUADOFTQQ-VXKWHMMOSA-N 2 1 414.638 3.548 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000494261757 1000397213 /nfs/dbraw/zinc/39/72/13/1000397213.db2.gz IKNVZBFSZVSCHX-HZPDHXFCSA-N 2 1 405.493 3.693 20 0 HHADMP Cc1nc2ccc(C[NH2+]Cc3cccc(NC(=O)CC[NH+]4CCOCC4)c3)cc2s1 ZINC000494314080 1000427356 /nfs/dbraw/zinc/42/73/56/1000427356.db2.gz QLGGVLYNZYVCCH-UHFFFAOYSA-N 2 1 424.570 3.555 20 0 HHADMP C[C@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000504909009 1000442342 /nfs/dbraw/zinc/44/23/42/1000442342.db2.gz NLIDSSGLFUTYBD-HYBUGGRVSA-N 2 1 406.574 3.570 20 0 HHADMP C[C@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[N@@H+]1CCc2sccc2C1 ZINC000504989016 1000491344 /nfs/dbraw/zinc/49/13/44/1000491344.db2.gz RLFUGXRGALPQOW-AEFFLSMTSA-N 2 1 418.632 3.693 20 0 HHADMP C[C@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[N@H+]1CCc2sccc2C1 ZINC000504989016 1000491348 /nfs/dbraw/zinc/49/13/48/1000491348.db2.gz RLFUGXRGALPQOW-AEFFLSMTSA-N 2 1 418.632 3.693 20 0 HHADMP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000494593029 1000567144 /nfs/dbraw/zinc/56/71/44/1000567144.db2.gz VQDRBZUQEITBEN-IBGZPJMESA-N 2 1 411.456 3.772 20 0 HHADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000505135567 1000569765 /nfs/dbraw/zinc/56/97/65/1000569765.db2.gz JZUWHVISEITUCC-VQTJNVASSA-N 2 1 417.500 3.690 20 0 HHADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000505135569 1000569916 /nfs/dbraw/zinc/56/99/16/1000569916.db2.gz JZUWHVISEITUCC-WOJBJXKFSA-N 2 1 417.500 3.690 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(OC)c(C(C)C)c(OC)c1 ZINC000495299364 1000957887 /nfs/dbraw/zinc/95/78/87/1000957887.db2.gz KBBCUFKNVKACHD-LJQANCHMSA-N 2 1 420.598 3.707 20 0 HHADMP O=C(N[C@H]1CC[NH+]2CCCC[C@H]12)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000505691511 1000977681 /nfs/dbraw/zinc/97/76/81/1000977681.db2.gz HGKVPWXWQMWBFN-VQTJNVASSA-N 2 1 424.511 3.550 20 0 HHADMP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000505691511 1000977687 /nfs/dbraw/zinc/97/76/87/1000977687.db2.gz HGKVPWXWQMWBFN-VQTJNVASSA-N 2 1 424.511 3.550 20 0 HHADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000505691511 1000977696 /nfs/dbraw/zinc/97/76/96/1000977696.db2.gz HGKVPWXWQMWBFN-VQTJNVASSA-N 2 1 424.511 3.550 20 0 HHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000495420373 1001006117 /nfs/dbraw/zinc/00/61/17/1001006117.db2.gz HLQXPJCPGMFBOG-WFXMLNOXSA-N 2 1 401.576 3.619 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(Cl)ccc1Br ZINC000505800704 1001033274 /nfs/dbraw/zinc/03/32/74/1001033274.db2.gz DMULFTMXRWAJDX-OAHLLOKOSA-N 2 1 416.791 3.591 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505857477 1001064475 /nfs/dbraw/zinc/06/44/75/1001064475.db2.gz RPKLXANYESHXOI-GMAHTHKFSA-N 2 1 421.585 3.557 20 0 HHADMP CN(c1ccccc1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1)C1CC[NH+](C)CC1 ZINC000506152494 1001251139 /nfs/dbraw/zinc/25/11/39/1001251139.db2.gz FOCDZMOSPBHBRG-NRFANRHFSA-N 2 1 418.589 3.639 20 0 HHADMP CC[NH+]1CCC(NC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)CC1 ZINC000506185159 1001266352 /nfs/dbraw/zinc/26/63/52/1001266352.db2.gz YIPFBZYTIPIPNU-UHFFFAOYSA-N 2 1 404.558 3.568 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)CC[N@@H+]1C ZINC000506243580 1001302535 /nfs/dbraw/zinc/30/25/35/1001302535.db2.gz MAXIOFTXDWLQSN-RTBURBONSA-N 2 1 404.558 3.566 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)CC[N@H+]1C ZINC000506243580 1001302542 /nfs/dbraw/zinc/30/25/42/1001302542.db2.gz MAXIOFTXDWLQSN-RTBURBONSA-N 2 1 404.558 3.566 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)CC[N@@H+]1C ZINC000506243569 1001302576 /nfs/dbraw/zinc/30/25/76/1001302576.db2.gz MAXIOFTXDWLQSN-MOPGFXCFSA-N 2 1 404.558 3.566 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)CC[N@H+]1C ZINC000506243569 1001302580 /nfs/dbraw/zinc/30/25/80/1001302580.db2.gz MAXIOFTXDWLQSN-MOPGFXCFSA-N 2 1 404.558 3.566 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000506302883 1001341400 /nfs/dbraw/zinc/34/14/00/1001341400.db2.gz XJUXDRPLBFVHKO-GGAORHGYSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000497473547 1001385492 /nfs/dbraw/zinc/38/54/92/1001385492.db2.gz UFVCDBGNICMZDF-LSTHTHJFSA-N 2 1 424.511 3.548 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000497502907 1001406220 /nfs/dbraw/zinc/40/62/20/1001406220.db2.gz IWAPOMUIRFGXFL-FYYLOGMGSA-N 2 1 410.562 3.537 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000497502907 1001406225 /nfs/dbraw/zinc/40/62/25/1001406225.db2.gz IWAPOMUIRFGXFL-FYYLOGMGSA-N 2 1 410.562 3.537 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000497502907 1001406228 /nfs/dbraw/zinc/40/62/28/1001406228.db2.gz IWAPOMUIRFGXFL-FYYLOGMGSA-N 2 1 410.562 3.537 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000497502907 1001406229 /nfs/dbraw/zinc/40/62/29/1001406229.db2.gz IWAPOMUIRFGXFL-FYYLOGMGSA-N 2 1 410.562 3.537 20 0 HHADMP C[N@H+]1CCCC[C@H]1CCC(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000497582977 1001446080 /nfs/dbraw/zinc/44/60/80/1001446080.db2.gz SOCGBTKQDNTTOP-NRFANRHFSA-N 2 1 400.567 3.704 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000506515688 1001447879 /nfs/dbraw/zinc/44/78/79/1001447879.db2.gz LQOPXSBDBAYFJF-OAQYLSRUSA-N 2 1 407.549 3.772 20 0 HHADMP C[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+]3CCC2CC3)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000497594711 1001451588 /nfs/dbraw/zinc/45/15/88/1001451588.db2.gz CNBMSAJGYYORPF-FXAWDEMLSA-N 2 1 424.511 3.578 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000497722781 1001495839 /nfs/dbraw/zinc/49/58/39/1001495839.db2.gz ZHTQWNPFNPWPKF-OAQYLSRUSA-N 2 1 400.611 3.982 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N3CCC(CCC[NH+]4CCCC4)CC3)CC2)[nH+]1 ZINC000506739733 1001510096 /nfs/dbraw/zinc/51/00/96/1001510096.db2.gz UQSRTFBNSPTMDQ-UHFFFAOYSA-N 2 1 413.610 3.656 20 0 HHADMP Brc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc2c1OCCCO2 ZINC000506913149 1001590876 /nfs/dbraw/zinc/59/08/76/1001590876.db2.gz WXIKPJNUYXIKSD-UHFFFAOYSA-N 2 1 409.368 3.918 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCc2nccn2Cc2ccccc2)C1 ZINC000506928671 1001598283 /nfs/dbraw/zinc/59/82/83/1001598283.db2.gz BDKZDXSPYVXYEM-FYYLOGMGSA-N 2 1 423.605 3.770 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)[NH+](C)C ZINC000506932683 1001600831 /nfs/dbraw/zinc/60/08/31/1001600831.db2.gz KSTJPYWHCVCUCN-ONTIZHBOSA-N 2 1 416.610 3.594 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)[NH+](C)C ZINC000506932683 1001600832 /nfs/dbraw/zinc/60/08/32/1001600832.db2.gz KSTJPYWHCVCUCN-ONTIZHBOSA-N 2 1 416.610 3.594 20 0 HHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000498031328 1001613535 /nfs/dbraw/zinc/61/35/35/1001613535.db2.gz VFXJYNMFKMHWMY-NQIIRXRSSA-N 2 1 418.607 3.888 20 0 HHADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000498031328 1001613537 /nfs/dbraw/zinc/61/35/37/1001613537.db2.gz VFXJYNMFKMHWMY-NQIIRXRSSA-N 2 1 418.607 3.888 20 0 HHADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000498031328 1001613541 /nfs/dbraw/zinc/61/35/41/1001613541.db2.gz VFXJYNMFKMHWMY-NQIIRXRSSA-N 2 1 418.607 3.888 20 0 HHADMP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000498143895 1001661891 /nfs/dbraw/zinc/66/18/91/1001661891.db2.gz FZBJJHGUYGDRLT-CVDCTZTESA-N 2 1 410.562 3.680 20 0 HHADMP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000498143895 1001661893 /nfs/dbraw/zinc/66/18/93/1001661893.db2.gz FZBJJHGUYGDRLT-CVDCTZTESA-N 2 1 410.562 3.680 20 0 HHADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)C1 ZINC000498166245 1001671420 /nfs/dbraw/zinc/67/14/20/1001671420.db2.gz NCUSLXAHQXNWCL-AHRSYUTCSA-N 2 1 422.976 3.742 20 0 HHADMP CCC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@@H](C)c1cc2ccccc2o1 ZINC000507012372 1001763626 /nfs/dbraw/zinc/76/36/26/1001763626.db2.gz JNJYUVICXFLJCZ-PZJWPPBQSA-N 2 1 415.578 3.679 20 0 HHADMP CCC[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[C@@H](C)c1cc2ccccc2o1 ZINC000507012372 1001763632 /nfs/dbraw/zinc/76/36/32/1001763632.db2.gz JNJYUVICXFLJCZ-PZJWPPBQSA-N 2 1 415.578 3.679 20 0 HHADMP CCC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@@H](C)c1cc2ccccc2o1 ZINC000507012372 1001763634 /nfs/dbraw/zinc/76/36/34/1001763634.db2.gz JNJYUVICXFLJCZ-PZJWPPBQSA-N 2 1 415.578 3.679 20 0 HHADMP O=C(N1CCC(C[NH+]2CCCC2)CC1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000498526208 1001946879 /nfs/dbraw/zinc/94/68/79/1001946879.db2.gz VBFPVKNJXLLVMT-QFIPXVFZSA-N 2 1 423.523 3.775 20 0 HHADMP COc1cccc([C@@H]2[C@H](NC(=O)NCCC[NH2+]C3CCCCC3)CC[N@H+]2C2CC2)c1 ZINC000498555053 1001969589 /nfs/dbraw/zinc/96/95/89/1001969589.db2.gz NYJTZPHSYUZCEI-DHIUTWEWSA-N 2 1 414.594 3.585 20 0 HHADMP COc1ccc2occ(C(=O)N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2c1 ZINC000507348575 1002015965 /nfs/dbraw/zinc/01/59/65/1002015965.db2.gz NFFAIQRMQMBZOJ-UHFFFAOYSA-N 2 1 413.562 3.710 20 0 HHADMP Cc1ccc(C)n1C1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000507359964 1002022195 /nfs/dbraw/zinc/02/21/95/1002022195.db2.gz MDOVBSNPFJEZFK-JTHBVZDNSA-N 2 1 408.590 3.521 20 0 HHADMP C[NH+](C)CCC1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000498638754 1002040051 /nfs/dbraw/zinc/04/00/51/1002040051.db2.gz OBTFEJIVWSOSFD-NRFANRHFSA-N 2 1 411.512 3.631 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000498665527 1002059651 /nfs/dbraw/zinc/05/96/51/1002059651.db2.gz DODCEFACOPZAOB-YUXAGFNASA-N 2 1 420.548 3.758 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000498665527 1002059656 /nfs/dbraw/zinc/05/96/56/1002059656.db2.gz DODCEFACOPZAOB-YUXAGFNASA-N 2 1 420.548 3.758 20 0 HHADMP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1cccc(Br)c1 ZINC000507488530 1002101816 /nfs/dbraw/zinc/10/18/16/1002101816.db2.gz VAKXSQQHSRLCDO-NMIHRBCNSA-N 2 1 415.375 3.983 20 0 HHADMP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cccc(Br)c1 ZINC000507488534 1002102033 /nfs/dbraw/zinc/10/20/33/1002102033.db2.gz VAKXSQQHSRLCDO-UVUJQTEASA-N 2 1 415.375 3.983 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]Cc4ccnc(OC5CCOCC5)c4)[C@H]3C2)cc1 ZINC000507511186 1002121265 /nfs/dbraw/zinc/12/12/65/1002121265.db2.gz OBWKRNYSDGLELH-OEMFJLHTSA-N 2 1 407.558 3.640 20 0 HHADMP C/C=C\c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(OC)c1 ZINC000498851644 1002236105 /nfs/dbraw/zinc/23/61/05/1002236105.db2.gz RMXYBIIZFACNTP-IBNGNKAFSA-N 2 1 416.606 3.912 20 0 HHADMP C/C=C\c1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(OC)c1 ZINC000498851644 1002236116 /nfs/dbraw/zinc/23/61/16/1002236116.db2.gz RMXYBIIZFACNTP-IBNGNKAFSA-N 2 1 416.606 3.912 20 0 HHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000498944811 1002343872 /nfs/dbraw/zinc/34/38/72/1002343872.db2.gz UOVZUNLECUELJH-QUCCMNQESA-N 2 1 407.352 3.958 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000499104555 1002496735 /nfs/dbraw/zinc/49/67/35/1002496735.db2.gz WYBXKEBBJSQKNG-LEOXJPRUSA-N 2 1 412.553 3.638 20 0 HHADMP Cc1cc(N2CCC([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)nc(C)n1 ZINC000499123069 1002509223 /nfs/dbraw/zinc/50/92/23/1002509223.db2.gz FQSBSXOUDQOSIF-BKFWDETESA-N 2 1 405.590 3.847 20 0 HHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@H](CN2CCOCC2)c2ccccc2)C3)cc1 ZINC000499138975 1002523020 /nfs/dbraw/zinc/52/30/20/1002523020.db2.gz LDENSHHHANVVBO-FXSWLTOZSA-N 2 1 405.586 3.845 20 0 HHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@H](CN2CCOCC2)c2ccccc2)C3)cc1 ZINC000499138975 1002523026 /nfs/dbraw/zinc/52/30/26/1002523026.db2.gz LDENSHHHANVVBO-FXSWLTOZSA-N 2 1 405.586 3.845 20 0 HHADMP Fc1cccc([C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)N2CCOCC2)c1 ZINC000499139404 1002524538 /nfs/dbraw/zinc/52/45/38/1002524538.db2.gz OXBNAPADZGLAIV-QYOOZWMWSA-N 2 1 423.576 3.984 20 0 HHADMP CN(c1ccccc1C[N@H+]1CCCN(C(=O)c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000508039304 1002561114 /nfs/dbraw/zinc/56/11/14/1002561114.db2.gz GNRPQTCPMWCAGG-UHFFFAOYSA-N 2 1 420.601 3.565 20 0 HHADMP CCn1c2ccccc2c2cc(C[NH2+]CCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)ccc21 ZINC000508087569 1002610450 /nfs/dbraw/zinc/61/04/50/1002610450.db2.gz LUIKBKCFCFZJHL-XMMPIXPASA-N 2 1 406.574 3.847 20 0 HHADMP CCn1c2ccccc2c2cc(C[NH2+]CCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)ccc21 ZINC000508087569 1002610456 /nfs/dbraw/zinc/61/04/56/1002610456.db2.gz LUIKBKCFCFZJHL-XMMPIXPASA-N 2 1 406.574 3.847 20 0 HHADMP Fc1ccc(N2CCOCC2)c(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000499243665 1002637029 /nfs/dbraw/zinc/63/70/29/1002637029.db2.gz KSQFMBHDIWBSNA-BKFWDETESA-N 2 1 409.549 3.948 20 0 HHADMP Fc1ccc(N2CCOCC2)c(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000499243665 1002637047 /nfs/dbraw/zinc/63/70/47/1002637047.db2.gz KSQFMBHDIWBSNA-BKFWDETESA-N 2 1 409.549 3.948 20 0 HHADMP O=C(NCCCCC[NH+]1CCCC1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000508233002 1002759873 /nfs/dbraw/zinc/75/98/73/1002759873.db2.gz ZCHSYTYZTZBRLG-NRFANRHFSA-N 2 1 411.512 3.823 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000499578754 1002955806 /nfs/dbraw/zinc/95/58/06/1002955806.db2.gz YNGIXGKGBVWAKE-VQTJNVASSA-N 2 1 410.562 3.754 20 0 HHADMP CCC[C@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC[N@H+]1CCOC ZINC000499579152 1002956849 /nfs/dbraw/zinc/95/68/49/1002956849.db2.gz MDAIBYAUCRMZBN-QHCPKHFHSA-N 2 1 416.610 3.680 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508712114 1003150683 /nfs/dbraw/zinc/15/06/83/1003150683.db2.gz BTVJRJDYHWOEBH-FKARDDIWSA-N 2 1 413.512 3.737 20 0 HHADMP C[C@H]([NH2+]C1CCN(C(=O)NC2CCCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508712684 1003150830 /nfs/dbraw/zinc/15/08/30/1003150830.db2.gz ROMYTALSLJVDQV-RBBKRZOGSA-N 2 1 412.622 3.993 20 0 HHADMP COc1ccc([C@H](C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1OC ZINC000508713091 1003152217 /nfs/dbraw/zinc/15/22/17/1003152217.db2.gz SBTIGRKPYOMOBD-OIBXWCBGSA-N 2 1 411.590 3.807 20 0 HHADMP COc1ccc([C@H](CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1OC ZINC000508713091 1003152230 /nfs/dbraw/zinc/15/22/30/1003152230.db2.gz SBTIGRKPYOMOBD-OIBXWCBGSA-N 2 1 411.590 3.807 20 0 HHADMP COc1ccc([C@H](CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[NH+](C)C)cc1OC ZINC000508713091 1003152223 /nfs/dbraw/zinc/15/22/23/1003152223.db2.gz SBTIGRKPYOMOBD-OIBXWCBGSA-N 2 1 411.590 3.807 20 0 HHADMP C[C@H](Nc1ccc(C[NH+]2CCC[C@@H](C(N)=O)C2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508714168 1003153806 /nfs/dbraw/zinc/15/38/06/1003153806.db2.gz UZXWIKYPWGYNNZ-TUACAJSNSA-N 2 1 420.601 3.706 20 0 HHADMP C[C@H](Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508714168 1003153796 /nfs/dbraw/zinc/15/37/96/1003153796.db2.gz UZXWIKYPWGYNNZ-TUACAJSNSA-N 2 1 420.601 3.706 20 0 HHADMP C[C@H](Nc1ccc(C[NH+]2CCC[C@@H](C(N)=O)C2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714168 1003153812 /nfs/dbraw/zinc/15/38/12/1003153812.db2.gz UZXWIKYPWGYNNZ-TUACAJSNSA-N 2 1 420.601 3.706 20 0 HHADMP Cc1ccc([C@H](C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)N2CCOCC2)cc1 ZINC000508722157 1003162755 /nfs/dbraw/zinc/16/27/55/1003162755.db2.gz WQANDVKOUVANGP-RZFJZAQRSA-N 2 1 407.602 3.869 20 0 HHADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000508786920 1003216315 /nfs/dbraw/zinc/21/63/15/1003216315.db2.gz YCIVTXCLFAVFBQ-NRFANRHFSA-N 2 1 411.512 3.772 20 0 HHADMP C[C@H](NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000508849355 1003270028 /nfs/dbraw/zinc/27/00/28/1003270028.db2.gz BMWXPMJUUJYWOU-ODGPQVTHSA-N 2 1 408.590 3.841 20 0 HHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000500098886 1003460993 /nfs/dbraw/zinc/46/09/93/1003460993.db2.gz NQCUSXFUJNVEQZ-XMMPIXPASA-N 2 1 408.590 3.992 20 0 HHADMP C[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@H+]1CCc2ccccc2C1 ZINC000500124815 1003487077 /nfs/dbraw/zinc/48/70/77/1003487077.db2.gz OIRJHDJEACKCMO-HXUWFJFHSA-N 2 1 406.574 3.528 20 0 HHADMP CCC[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1ccc(Cl)cc1 ZINC000509021452 1003493857 /nfs/dbraw/zinc/49/38/57/1003493857.db2.gz HVGVBRFKUTXKMU-HMXCVIKNSA-N 2 1 407.002 3.849 20 0 HHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21)c1ccc(Cl)cc1 ZINC000509021452 1003493851 /nfs/dbraw/zinc/49/38/51/1003493851.db2.gz HVGVBRFKUTXKMU-HMXCVIKNSA-N 2 1 407.002 3.849 20 0 HHADMP CCC[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)c1ccc(Cl)cc1 ZINC000509021452 1003493865 /nfs/dbraw/zinc/49/38/65/1003493865.db2.gz HVGVBRFKUTXKMU-HMXCVIKNSA-N 2 1 407.002 3.849 20 0 HHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000500166905 1003520200 /nfs/dbraw/zinc/52/02/00/1003520200.db2.gz XHOKUOGYZDFYRZ-UHFFFAOYSA-N 2 1 408.590 3.946 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCN1CCN(c2ccccc2)CC1 ZINC000509156973 1003591237 /nfs/dbraw/zinc/59/12/37/1003591237.db2.gz UBDTXINIXVXATM-ZEQKJWHPSA-N 2 1 406.618 3.699 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCN1CCN(c2ccccc2)CC1 ZINC000509156973 1003591244 /nfs/dbraw/zinc/59/12/44/1003591244.db2.gz UBDTXINIXVXATM-ZEQKJWHPSA-N 2 1 406.618 3.699 20 0 HHADMP CCCN(CC[NH+]1CCCC1)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000500624485 1003840772 /nfs/dbraw/zinc/84/07/72/1003840772.db2.gz LZEZABBXEWOQLL-GGAORHGYSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C1=CC[NH+](C)CC1 ZINC000511871252 1003850503 /nfs/dbraw/zinc/85/05/03/1003850503.db2.gz ZXEILPOLHSNZLZ-KSNOWIBYSA-N 2 1 418.585 3.604 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccccc1)C1=CC[N@H+](C)CC1 ZINC000511871252 1003850516 /nfs/dbraw/zinc/85/05/16/1003850516.db2.gz ZXEILPOLHSNZLZ-KSNOWIBYSA-N 2 1 418.585 3.604 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000511871252 1003850525 /nfs/dbraw/zinc/85/05/25/1003850525.db2.gz ZXEILPOLHSNZLZ-KSNOWIBYSA-N 2 1 418.585 3.604 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000500678017 1003886968 /nfs/dbraw/zinc/88/69/68/1003886968.db2.gz KDOLESXWXDSJQB-ZFGGDYGUSA-N 2 1 412.622 3.934 20 0 HHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000500725671 1003923664 /nfs/dbraw/zinc/92/36/64/1003923664.db2.gz QSLNPGLTUAGOMG-HXUWFJFHSA-N 2 1 401.599 3.523 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512104803 1004026660 /nfs/dbraw/zinc/02/66/60/1004026660.db2.gz JRELMPXRNLKGQM-OFNKIYASSA-N 2 1 400.611 3.708 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000509709397 1004042781 /nfs/dbraw/zinc/04/27/81/1004042781.db2.gz BTZCTDXUFMSWDR-UNMCSNQZSA-N 2 1 400.611 3.707 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000509709395 1004043198 /nfs/dbraw/zinc/04/31/98/1004043198.db2.gz BTZCTDXUFMSWDR-RBBKRZOGSA-N 2 1 400.611 3.707 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000512155933 1004063667 /nfs/dbraw/zinc/06/36/67/1004063667.db2.gz LGEULARJFZARGR-VXKWHMMOSA-N 2 1 400.611 3.707 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000512155933 1004063676 /nfs/dbraw/zinc/06/36/76/1004063676.db2.gz LGEULARJFZARGR-VXKWHMMOSA-N 2 1 400.611 3.707 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000512155933 1004063678 /nfs/dbraw/zinc/06/36/78/1004063678.db2.gz LGEULARJFZARGR-VXKWHMMOSA-N 2 1 400.611 3.707 20 0 HHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000512158241 1004065819 /nfs/dbraw/zinc/06/58/19/1004065819.db2.gz KKJHKNQJRDVKCT-QTJGBDASSA-N 2 1 424.633 3.945 20 0 HHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000512158241 1004065828 /nfs/dbraw/zinc/06/58/28/1004065828.db2.gz KKJHKNQJRDVKCT-QTJGBDASSA-N 2 1 424.633 3.945 20 0 HHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000512158241 1004065840 /nfs/dbraw/zinc/06/58/40/1004065840.db2.gz KKJHKNQJRDVKCT-QTJGBDASSA-N 2 1 424.633 3.945 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000509751165 1004071236 /nfs/dbraw/zinc/07/12/36/1004071236.db2.gz MDQWNMBXPCFGAF-KAGYGMCKSA-N 2 1 414.619 3.951 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000512175193 1004077532 /nfs/dbraw/zinc/07/75/32/1004077532.db2.gz KOBAGEUVOZUAIG-FGZHOGPDSA-N 2 1 400.611 3.660 20 0 HHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000512175193 1004077543 /nfs/dbraw/zinc/07/75/43/1004077543.db2.gz KOBAGEUVOZUAIG-FGZHOGPDSA-N 2 1 400.611 3.660 20 0 HHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000512175193 1004077555 /nfs/dbraw/zinc/07/75/55/1004077555.db2.gz KOBAGEUVOZUAIG-FGZHOGPDSA-N 2 1 400.611 3.660 20 0 HHADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512184182 1004086320 /nfs/dbraw/zinc/08/63/20/1004086320.db2.gz XHLWCNUZEUASNU-HDICACEKSA-N 2 1 414.569 3.949 20 0 HHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3OCC(=O)NCC3CC3)C2)CC1 ZINC000512193463 1004094608 /nfs/dbraw/zinc/09/46/08/1004094608.db2.gz IAKIZPNMZAXBTL-JOCHJYFZSA-N 2 1 413.606 3.536 20 0 HHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3OCC(=O)NCC3CC3)C2)CC1 ZINC000512193463 1004094620 /nfs/dbraw/zinc/09/46/20/1004094620.db2.gz IAKIZPNMZAXBTL-JOCHJYFZSA-N 2 1 413.606 3.536 20 0 HHADMP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501018721 1004121584 /nfs/dbraw/zinc/12/15/84/1004121584.db2.gz FXTOZNOTZZQLSM-OALUTQOASA-N 2 1 410.562 3.504 20 0 HHADMP COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501018723 1004121826 /nfs/dbraw/zinc/12/18/26/1004121826.db2.gz FXTOZNOTZZQLSM-RTBURBONSA-N 2 1 410.562 3.504 20 0 HHADMP C[N@@H+](C[C@H](O)COc1cccc2ccccc21)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501027927 1004131816 /nfs/dbraw/zinc/13/18/16/1004131816.db2.gz XOVGXTGUETUZOU-QHCPKHFHSA-N 2 1 405.542 3.823 20 0 HHADMP O[C@H](COc1ccc(Cl)cc1)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237451 1004139580 /nfs/dbraw/zinc/13/95/80/1004139580.db2.gz RCYCFWOAPIKCSB-JTHBVZDNSA-N 2 1 400.950 3.678 20 0 HHADMP O[C@H](COc1ccc(Cl)cc1)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237451 1004139588 /nfs/dbraw/zinc/13/95/88/1004139588.db2.gz RCYCFWOAPIKCSB-JTHBVZDNSA-N 2 1 400.950 3.678 20 0 HHADMP O[C@H](COc1ccc(Cl)cc1)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512237451 1004139596 /nfs/dbraw/zinc/13/95/96/1004139596.db2.gz RCYCFWOAPIKCSB-JTHBVZDNSA-N 2 1 400.950 3.678 20 0 HHADMP O[C@H](COc1ccc(Cl)cc1)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512237451 1004139602 /nfs/dbraw/zinc/13/96/02/1004139602.db2.gz RCYCFWOAPIKCSB-JTHBVZDNSA-N 2 1 400.950 3.678 20 0 HHADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000501041106 1004143022 /nfs/dbraw/zinc/14/30/22/1004143022.db2.gz VQYJYQBROYXYRC-XMMPIXPASA-N 2 1 406.574 3.984 20 0 HHADMP CC[C@H](C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)[NH+]1CCCC1 ZINC000509850059 1004147779 /nfs/dbraw/zinc/14/77/79/1004147779.db2.gz ZGFSNGFWTUQIGC-SOAGJPPSSA-N 2 1 407.986 3.610 20 0 HHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)CC1 ZINC000512271672 1004173009 /nfs/dbraw/zinc/17/30/09/1004173009.db2.gz QSNPOSOQZPPIJB-UHFFFAOYSA-N 2 1 417.491 3.905 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000501070465 1004173565 /nfs/dbraw/zinc/17/35/65/1004173565.db2.gz DLGLORQXJOMCRS-NFBKMPQASA-N 2 1 400.611 3.803 20 0 HHADMP Cc1cc(F)ccc1N1CCC[C@@H]([N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000501070740 1004173636 /nfs/dbraw/zinc/17/36/36/1004173636.db2.gz UMJURJKSVUMCCF-HSZRJFAPSA-N 2 1 410.537 3.873 20 0 HHADMP CCC[N@H+](CC(=O)N([C@H](C)C1CC1)C1CC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512277170 1004178023 /nfs/dbraw/zinc/17/80/23/1004178023.db2.gz FTKNQJUDGMQYKU-GOSISDBHSA-N 2 1 413.610 3.564 20 0 HHADMP CCC[N@@H+](CC(=O)N([C@H](C)C1CC1)C1CC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512277170 1004178028 /nfs/dbraw/zinc/17/80/28/1004178028.db2.gz FTKNQJUDGMQYKU-GOSISDBHSA-N 2 1 413.610 3.564 20 0 HHADMP CCC[N@H+](CC(=O)N[C@H](C)c1cccs1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512279284 1004180442 /nfs/dbraw/zinc/18/04/42/1004180442.db2.gz MCZZZKVUENZPFT-QGZVFWFLSA-N 2 1 415.607 3.713 20 0 HHADMP CCC[N@@H+](CC(=O)N[C@H](C)c1cccs1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512279284 1004180446 /nfs/dbraw/zinc/18/04/46/1004180446.db2.gz MCZZZKVUENZPFT-QGZVFWFLSA-N 2 1 415.607 3.713 20 0 HHADMP C[N@@H+](C[C@H](O)COc1cccc(C(F)(F)F)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501091274 1004196905 /nfs/dbraw/zinc/19/69/05/1004196905.db2.gz VDRGPYBRWMRCOK-FQEVSTJZSA-N 2 1 423.479 3.689 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000501100657 1004205273 /nfs/dbraw/zinc/20/52/73/1004205273.db2.gz PSDSBLYWTZWNIX-RMNGQBEXSA-N 2 1 414.638 3.906 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC[C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000512391692 1004265633 /nfs/dbraw/zinc/26/56/33/1004265633.db2.gz GVISCIWCCQCJMG-PUHATCMVSA-N 2 1 400.611 3.660 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000512391692 1004265644 /nfs/dbraw/zinc/26/56/44/1004265644.db2.gz GVISCIWCCQCJMG-PUHATCMVSA-N 2 1 400.611 3.660 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000512391692 1004265653 /nfs/dbraw/zinc/26/56/53/1004265653.db2.gz GVISCIWCCQCJMG-PUHATCMVSA-N 2 1 400.611 3.660 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000512429940 1004296621 /nfs/dbraw/zinc/29/66/21/1004296621.db2.gz KTSZKRBHUJYQAO-PRTQVNTJSA-N 2 1 400.611 3.801 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000512429940 1004296630 /nfs/dbraw/zinc/29/66/30/1004296630.db2.gz KTSZKRBHUJYQAO-PRTQVNTJSA-N 2 1 400.611 3.801 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000512429940 1004296640 /nfs/dbraw/zinc/29/66/40/1004296640.db2.gz KTSZKRBHUJYQAO-PRTQVNTJSA-N 2 1 400.611 3.801 20 0 HHADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000510098532 1004322356 /nfs/dbraw/zinc/32/23/56/1004322356.db2.gz GZNWTDMUADNLMA-QHCPKHFHSA-N 2 1 424.589 3.767 20 0 HHADMP C[N@@H+]1CCCC[C@H]1CCC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000501276975 1004328747 /nfs/dbraw/zinc/32/87/47/1004328747.db2.gz SLACNUODZSPOHO-FQEVSTJZSA-N 2 1 422.411 3.794 20 0 HHADMP C[N@H+]1CCCC[C@H]1CCC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000501276975 1004328755 /nfs/dbraw/zinc/32/87/55/1004328755.db2.gz SLACNUODZSPOHO-FQEVSTJZSA-N 2 1 422.411 3.794 20 0 HHADMP CC[C@@H](CNC(=O)N1CCC(C[NH+](CC)CC)CC1)[N@H+]1CCc2ccccc2C1 ZINC000501348260 1004360388 /nfs/dbraw/zinc/36/03/88/1004360388.db2.gz CWQUBXRSENCUOZ-QHCPKHFHSA-N 2 1 400.611 3.587 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000501378896 1004377897 /nfs/dbraw/zinc/37/78/97/1004377897.db2.gz UNDACEHUZUHNHB-GGAORHGYSA-N 2 1 422.573 3.558 20 0 HHADMP C[C@@H]1C[C@@H](CCNc2ncnc3c2cnn3-c2cc[nH+]cc2)C[N@@H+]1Cc1ccccc1 ZINC000512585176 1004401723 /nfs/dbraw/zinc/40/17/23/1004401723.db2.gz BMKHMCNDHGNBFS-UYAOXDASSA-N 2 1 413.529 3.923 20 0 HHADMP C[C@@H]1C[C@@H](CCNc2ncnc3c2cnn3-c2cc[nH+]cc2)C[N@H+]1Cc1ccccc1 ZINC000512585176 1004401729 /nfs/dbraw/zinc/40/17/29/1004401729.db2.gz BMKHMCNDHGNBFS-UYAOXDASSA-N 2 1 413.529 3.923 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H]1c1ccc(F)c(F)c1 ZINC000501427728 1004414641 /nfs/dbraw/zinc/41/46/41/1004414641.db2.gz ZQOMQMDGTJJNTL-FZTKRGEWSA-N 2 1 420.548 3.755 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H]1c1ccc(F)c(F)c1 ZINC000501427728 1004414645 /nfs/dbraw/zinc/41/46/45/1004414645.db2.gz ZQOMQMDGTJJNTL-FZTKRGEWSA-N 2 1 420.548 3.755 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H]1c1ccc(F)c(F)c1 ZINC000501427728 1004414648 /nfs/dbraw/zinc/41/46/48/1004414648.db2.gz ZQOMQMDGTJJNTL-FZTKRGEWSA-N 2 1 420.548 3.755 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1c1ccc(F)c(F)c1 ZINC000501427728 1004414652 /nfs/dbraw/zinc/41/46/52/1004414652.db2.gz ZQOMQMDGTJJNTL-FZTKRGEWSA-N 2 1 420.548 3.755 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@H]1c1ccc(F)c(F)c1 ZINC000501427719 1004414726 /nfs/dbraw/zinc/41/47/26/1004414726.db2.gz ZQOMQMDGTJJNTL-CRZILQOMSA-N 2 1 420.548 3.755 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@H]1c1ccc(F)c(F)c1 ZINC000501427719 1004414732 /nfs/dbraw/zinc/41/47/32/1004414732.db2.gz ZQOMQMDGTJJNTL-CRZILQOMSA-N 2 1 420.548 3.755 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H]1c1ccc(F)c(F)c1 ZINC000501427719 1004414736 /nfs/dbraw/zinc/41/47/36/1004414736.db2.gz ZQOMQMDGTJJNTL-CRZILQOMSA-N 2 1 420.548 3.755 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1c1ccc(F)c(F)c1 ZINC000501427719 1004414740 /nfs/dbraw/zinc/41/47/40/1004414740.db2.gz ZQOMQMDGTJJNTL-CRZILQOMSA-N 2 1 420.548 3.755 20 0 HHADMP CCC[N@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510247734 1004423336 /nfs/dbraw/zinc/42/33/36/1004423336.db2.gz ZUHMBJKUBKHXAR-LQBOVUBWSA-N 2 1 415.626 3.715 20 0 HHADMP CCC[N@@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510247734 1004423340 /nfs/dbraw/zinc/42/33/40/1004423340.db2.gz ZUHMBJKUBKHXAR-LQBOVUBWSA-N 2 1 415.626 3.715 20 0 HHADMP CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512648996 1004460131 /nfs/dbraw/zinc/46/01/31/1004460131.db2.gz PXGXUMGCMRXXMB-GVXSCFBNSA-N 2 1 407.558 3.914 20 0 HHADMP C[C@@H](NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512712091 1004511261 /nfs/dbraw/zinc/51/12/61/1004511261.db2.gz NXQGARZTALPCDE-IRLDBZIGSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@H](NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512712093 1004511630 /nfs/dbraw/zinc/51/16/30/1004511630.db2.gz NXQGARZTALPCDE-RBBKRZOGSA-N 2 1 412.622 3.945 20 0 HHADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000501615365 1004554528 /nfs/dbraw/zinc/55/45/28/1004554528.db2.gz LZINWTGKCHWKRS-OAQYLSRUSA-N 2 1 400.954 3.713 20 0 HHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(Br)c1OC(F)F ZINC000512803729 1004568341 /nfs/dbraw/zinc/56/83/41/1004568341.db2.gz ABFHUASEUGLWNP-CHWSQXEVSA-N 2 1 405.283 3.776 20 0 HHADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(Br)c1OC(F)F ZINC000512803729 1004568350 /nfs/dbraw/zinc/56/83/50/1004568350.db2.gz ABFHUASEUGLWNP-CHWSQXEVSA-N 2 1 405.283 3.776 20 0 HHADMP O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000512847916 1004610790 /nfs/dbraw/zinc/61/07/90/1004610790.db2.gz XJANOCGCKNBCGR-LJQANCHMSA-N 2 1 424.511 3.550 20 0 HHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000510570080 1004714477 /nfs/dbraw/zinc/71/44/77/1004714477.db2.gz FAYSNUYXEZGBBC-KNQAVFIVSA-N 2 1 400.611 3.981 20 0 HHADMP C[C@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510580457 1004728073 /nfs/dbraw/zinc/72/80/73/1004728073.db2.gz OJGZWJWLIXVRFJ-NZQKXSOJSA-N 2 1 412.622 3.851 20 0 HHADMP COc1ccc(-c2csc(NC(=O)C[NH+]3CCC(CCC[NH+](C)C)CC3)n2)cc1 ZINC000501786532 1004728743 /nfs/dbraw/zinc/72/87/43/1004728743.db2.gz RQEBQPGXJHBXRU-UHFFFAOYSA-N 2 1 416.591 3.811 20 0 HHADMP C[C@H](NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510595649 1004741804 /nfs/dbraw/zinc/74/18/04/1004741804.db2.gz GQSAZKBNZVSIED-HUHVMKPBSA-N 2 1 404.643 3.982 20 0 HHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000510950806 1004950160 /nfs/dbraw/zinc/95/01/60/1004950160.db2.gz NCUVUSMVGJWQSM-PZJWPPBQSA-N 2 1 401.348 3.793 20 0 HHADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)N1CCC[NH+](C2CCCC2)CC1 ZINC000513419572 1004956787 /nfs/dbraw/zinc/95/67/87/1004956787.db2.gz IONUIGHCZMUPCW-NRFANRHFSA-N 2 1 405.533 3.621 20 0 HHADMP O=C([C@@H]1C[NH+](Cc2ccccc2)CCC1(F)F)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000513419572 1004956791 /nfs/dbraw/zinc/95/67/91/1004956791.db2.gz IONUIGHCZMUPCW-NRFANRHFSA-N 2 1 405.533 3.621 20 0 HHADMP O=C([C@@H]1C[NH+](Cc2ccccc2)CCC1(F)F)N1CCC[N@H+](C2CCCC2)CC1 ZINC000513419572 1004956795 /nfs/dbraw/zinc/95/67/95/1004956795.db2.gz IONUIGHCZMUPCW-NRFANRHFSA-N 2 1 405.533 3.621 20 0 HHADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000513420526 1004957992 /nfs/dbraw/zinc/95/79/92/1004957992.db2.gz PFXYLHUZCOPEHB-OAQYLSRUSA-N 2 1 404.599 3.540 20 0 HHADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000513420526 1004958000 /nfs/dbraw/zinc/95/80/00/1004958000.db2.gz PFXYLHUZCOPEHB-OAQYLSRUSA-N 2 1 404.599 3.540 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000513448294 1004971062 /nfs/dbraw/zinc/97/10/62/1004971062.db2.gz QZXBVJMIAPRFBL-GHTZIAJQSA-N 2 1 411.512 3.822 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000513448294 1004971066 /nfs/dbraw/zinc/97/10/66/1004971066.db2.gz QZXBVJMIAPRFBL-GHTZIAJQSA-N 2 1 411.512 3.822 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000513448294 1004971068 /nfs/dbraw/zinc/97/10/68/1004971068.db2.gz QZXBVJMIAPRFBL-GHTZIAJQSA-N 2 1 411.512 3.822 20 0 HHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000513449682 1004972207 /nfs/dbraw/zinc/97/22/07/1004972207.db2.gz ZKBQZKNQHFGMKK-UWJYYQICSA-N 2 1 401.348 3.793 20 0 HHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(OCc4cccs4)c(OC)c3)C2)CC1 ZINC000513460245 1004976139 /nfs/dbraw/zinc/97/61/39/1004976139.db2.gz DEALXBITVFEPNU-FQEVSTJZSA-N 2 1 415.603 3.548 20 0 HHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cn(-c4ccccc4)nc3-c3cccs3)C2)CC1 ZINC000513467148 1004978921 /nfs/dbraw/zinc/97/89/21/1004978921.db2.gz QRTKMKRWTFYFLD-JOCHJYFZSA-N 2 1 421.614 3.813 20 0 HHADMP C[NH+]1CCC2(CCCN2C(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000511017823 1004981801 /nfs/dbraw/zinc/98/18/01/1004981801.db2.gz QZTNICFAAUHCAK-JOCHJYFZSA-N 2 1 412.622 3.729 20 0 HHADMP O=C(Cc1ccccc1)N1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000511039164 1004992767 /nfs/dbraw/zinc/99/27/67/1004992767.db2.gz ZNQQHKUXPCCJKN-VWLOTQADSA-N 2 1 405.586 3.517 20 0 HHADMP O=C(NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000513559747 1005023036 /nfs/dbraw/zinc/02/30/36/1005023036.db2.gz IMNHAVPSTIKJAJ-UPVQGACJSA-N 2 1 409.549 3.819 20 0 HHADMP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000513559747 1005023041 /nfs/dbraw/zinc/02/30/41/1005023041.db2.gz IMNHAVPSTIKJAJ-UPVQGACJSA-N 2 1 409.549 3.819 20 0 HHADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000513559747 1005023045 /nfs/dbraw/zinc/02/30/45/1005023045.db2.gz IMNHAVPSTIKJAJ-UPVQGACJSA-N 2 1 409.549 3.819 20 0 HHADMP Cc1cc(F)ccc1-c1ccc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)o1 ZINC000513655103 1005068471 /nfs/dbraw/zinc/06/84/71/1005068471.db2.gz KZZVXNRWVACHBO-UHFFFAOYSA-N 2 1 413.537 3.770 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc4c(c3)CCC(C)(C)O4)CC2)CC1 ZINC000513678305 1005078618 /nfs/dbraw/zinc/07/86/18/1005078618.db2.gz KYXHQRAHJGFDBO-UHFFFAOYSA-N 2 1 413.606 3.556 20 0 HHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(-c4ccc(F)cc4)s3)CC2)CC1 ZINC000513685297 1005082115 /nfs/dbraw/zinc/08/21/15/1005082115.db2.gz YMQIPZGGEQVUBB-UHFFFAOYSA-N 2 1 415.578 3.930 20 0 HHADMP C[C@H](NC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511230634 1005083027 /nfs/dbraw/zinc/08/30/27/1005083027.db2.gz RUZXEELCWCGPSC-SSPYTLHUSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@H](NC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511230634 1005083031 /nfs/dbraw/zinc/08/30/31/1005083031.db2.gz RUZXEELCWCGPSC-SSPYTLHUSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@H](NC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511230634 1005083035 /nfs/dbraw/zinc/08/30/35/1005083035.db2.gz RUZXEELCWCGPSC-SSPYTLHUSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@H](NC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511230231 1005083120 /nfs/dbraw/zinc/08/31/20/1005083120.db2.gz RUZXEELCWCGPSC-BGWNEDDSSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@H](NC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511230231 1005083124 /nfs/dbraw/zinc/08/31/24/1005083124.db2.gz RUZXEELCWCGPSC-BGWNEDDSSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@H](NC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511230231 1005083127 /nfs/dbraw/zinc/08/31/27/1005083127.db2.gz RUZXEELCWCGPSC-BGWNEDDSSA-N 2 1 412.622 3.945 20 0 HHADMP COC(=O)c1csc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000513689332 1005083242 /nfs/dbraw/zinc/08/32/42/1005083242.db2.gz BNKAXWREKHJYFT-IXDOHACOSA-N 2 1 402.560 3.995 20 0 HHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000511250501 1005091285 /nfs/dbraw/zinc/09/12/85/1005091285.db2.gz NKQJUYCEBXQKRL-IFMALSPDSA-N 2 1 400.611 3.721 20 0 HHADMP C[C@H](CCNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[NH+](C)Cc1ccccc1 ZINC000511254134 1005093787 /nfs/dbraw/zinc/09/37/87/1005093787.db2.gz YHFHAUGTJIFTQE-URVUXULASA-N 2 1 400.611 3.849 20 0 HHADMP C[C@H](CCNC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000511254134 1005093793 /nfs/dbraw/zinc/09/37/93/1005093793.db2.gz YHFHAUGTJIFTQE-URVUXULASA-N 2 1 400.611 3.849 20 0 HHADMP C[C@H](CCNC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000511254134 1005093798 /nfs/dbraw/zinc/09/37/98/1005093798.db2.gz YHFHAUGTJIFTQE-URVUXULASA-N 2 1 400.611 3.849 20 0 HHADMP C[C@@H](CCNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[NH+](C)Cc1ccccc1 ZINC000511254132 1005093961 /nfs/dbraw/zinc/09/39/61/1005093961.db2.gz YHFHAUGTJIFTQE-ONTIZHBOSA-N 2 1 400.611 3.849 20 0 HHADMP C[C@@H](CCNC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000511254132 1005093967 /nfs/dbraw/zinc/09/39/67/1005093967.db2.gz YHFHAUGTJIFTQE-ONTIZHBOSA-N 2 1 400.611 3.849 20 0 HHADMP C[C@@H](CCNC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000511254132 1005093969 /nfs/dbraw/zinc/09/39/69/1005093969.db2.gz YHFHAUGTJIFTQE-ONTIZHBOSA-N 2 1 400.611 3.849 20 0 HHADMP C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511264135 1005097018 /nfs/dbraw/zinc/09/70/18/1005097018.db2.gz DGWQXVXYWZYJJI-FKBYEOEOSA-N 2 1 404.643 3.937 20 0 HHADMP C[C@H](NC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)C1=CC[NH+](C)CC1 ZINC000511285034 1005107323 /nfs/dbraw/zinc/10/73/23/1005107323.db2.gz FBVXNFUSWSHLHE-UWJYYQICSA-N 2 1 404.986 3.644 20 0 HHADMP C[C@H](NC(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1)C1=CC[N@H+](C)CC1 ZINC000511285034 1005107326 /nfs/dbraw/zinc/10/73/26/1005107326.db2.gz FBVXNFUSWSHLHE-UWJYYQICSA-N 2 1 404.986 3.644 20 0 HHADMP C[C@H](NC(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1)C1=CC[N@@H+](C)CC1 ZINC000511285034 1005107328 /nfs/dbraw/zinc/10/73/28/1005107328.db2.gz FBVXNFUSWSHLHE-UWJYYQICSA-N 2 1 404.986 3.644 20 0 HHADMP C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511289638 1005109411 /nfs/dbraw/zinc/10/94/11/1005109411.db2.gz QQCWQGONGLOIDC-JXHRLWIKSA-N 2 1 401.570 3.949 20 0 HHADMP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511289638 1005109417 /nfs/dbraw/zinc/10/94/17/1005109417.db2.gz QQCWQGONGLOIDC-JXHRLWIKSA-N 2 1 401.570 3.949 20 0 HHADMP C[C@H](NC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511289638 1005109419 /nfs/dbraw/zinc/10/94/19/1005109419.db2.gz QQCWQGONGLOIDC-JXHRLWIKSA-N 2 1 401.570 3.949 20 0 HHADMP C[C@H](NC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511289638 1005109422 /nfs/dbraw/zinc/10/94/22/1005109422.db2.gz QQCWQGONGLOIDC-JXHRLWIKSA-N 2 1 401.570 3.949 20 0 HHADMP C[C@H](NC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)C1=CC[N@@H+](C)CC1 ZINC000511291874 1005110728 /nfs/dbraw/zinc/11/07/28/1005110728.db2.gz WJNPJAUHEFZHFI-KRWDZBQOSA-N 2 1 404.986 3.502 20 0 HHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000513756462 1005111580 /nfs/dbraw/zinc/11/15/80/1005111580.db2.gz GFJNPSMWDDRAPA-DEOSSOPVSA-N 2 1 409.574 3.549 20 0 HHADMP C[C@@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511304756 1005116666 /nfs/dbraw/zinc/11/66/66/1005116666.db2.gz GERZJJTZDKSUQR-NQIIRXRSSA-N 2 1 401.620 3.618 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1F ZINC000513891723 1005175320 /nfs/dbraw/zinc/17/53/20/1005175320.db2.gz LCKAYJBQNXFSLZ-HSZRJFAPSA-N 2 1 421.520 3.956 20 0 HHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000502767540 1005207970 /nfs/dbraw/zinc/20/79/70/1005207970.db2.gz NWEUZUVLHZGPHK-HSZRJFAPSA-N 2 1 400.611 3.947 20 0 HHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000502797249 1005221920 /nfs/dbraw/zinc/22/19/20/1005221920.db2.gz UNPSDIOWUAMYNL-JTHBVZDNSA-N 2 1 422.617 3.980 20 0 HHADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000514019998 1005230937 /nfs/dbraw/zinc/23/09/37/1005230937.db2.gz KHUFPEWNTMJWOX-ZWKOTPCHSA-N 2 1 407.002 3.724 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1F ZINC000514032323 1005235760 /nfs/dbraw/zinc/23/57/60/1005235760.db2.gz FRINFECRACTKEI-UHFFFAOYSA-N 2 1 421.520 3.915 20 0 HHADMP COc1ccc([C@H](CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000502889493 1005260872 /nfs/dbraw/zinc/26/08/72/1005260872.db2.gz XLQGQNXYHWLEGP-OFNKIYASSA-N 2 1 416.610 3.643 20 0 HHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 ZINC000502893592 1005262894 /nfs/dbraw/zinc/26/28/94/1005262894.db2.gz UKNSPJMARIEQEU-INIZCTEOSA-N 2 1 415.475 3.779 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000502897375 1005264901 /nfs/dbraw/zinc/26/49/01/1005264901.db2.gz ZBBLVNDEQLUOIY-OYRHEFFESA-N 2 1 418.601 3.801 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000502897375 1005264905 /nfs/dbraw/zinc/26/49/05/1005264905.db2.gz ZBBLVNDEQLUOIY-OYRHEFFESA-N 2 1 418.601 3.801 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000502897375 1005264907 /nfs/dbraw/zinc/26/49/07/1005264907.db2.gz ZBBLVNDEQLUOIY-OYRHEFFESA-N 2 1 418.601 3.801 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000502897375 1005264912 /nfs/dbraw/zinc/26/49/12/1005264912.db2.gz ZBBLVNDEQLUOIY-OYRHEFFESA-N 2 1 418.601 3.801 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000514110339 1005269955 /nfs/dbraw/zinc/26/99/55/1005269955.db2.gz CSAILVJYNNHGPI-KGSLCBSSSA-N 2 1 400.611 3.879 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000514110339 1005269958 /nfs/dbraw/zinc/26/99/58/1005269958.db2.gz CSAILVJYNNHGPI-KGSLCBSSSA-N 2 1 400.611 3.879 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000514110339 1005269960 /nfs/dbraw/zinc/26/99/60/1005269960.db2.gz CSAILVJYNNHGPI-KGSLCBSSSA-N 2 1 400.611 3.879 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000514115259 1005272287 /nfs/dbraw/zinc/27/22/87/1005272287.db2.gz QOAREPWEBQEFPD-HSZRJFAPSA-N 2 1 415.626 3.590 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)cc1 ZINC000514171452 1005297998 /nfs/dbraw/zinc/29/79/98/1005297998.db2.gz BQHKLKAFMBIXBR-DNQXCXABSA-N 2 1 406.574 3.706 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)cc1F ZINC000514224280 1005321189 /nfs/dbraw/zinc/32/11/89/1005321189.db2.gz AFMLKIRUKHVRNL-QFIPXVFZSA-N 2 1 415.557 3.876 20 0 HHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000503069566 1005336452 /nfs/dbraw/zinc/33/64/52/1005336452.db2.gz SCCOIYMGZKODHZ-HBMCJLEFSA-N 2 1 400.611 3.659 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000503083622 1005343151 /nfs/dbraw/zinc/34/31/51/1005343151.db2.gz CTTMJVPZRVYRMF-BHDDXSALSA-N 2 1 424.614 3.774 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000503083622 1005343154 /nfs/dbraw/zinc/34/31/54/1005343154.db2.gz CTTMJVPZRVYRMF-BHDDXSALSA-N 2 1 424.614 3.774 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000503083622 1005343157 /nfs/dbraw/zinc/34/31/57/1005343157.db2.gz CTTMJVPZRVYRMF-BHDDXSALSA-N 2 1 424.614 3.774 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000503083622 1005343161 /nfs/dbraw/zinc/34/31/61/1005343161.db2.gz CTTMJVPZRVYRMF-BHDDXSALSA-N 2 1 424.614 3.774 20 0 HHADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000503209955 1005369230 /nfs/dbraw/zinc/36/92/30/1005369230.db2.gz WIYFXJFURIUASV-VWLOTQADSA-N 2 1 420.601 3.646 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000503212138 1005369570 /nfs/dbraw/zinc/36/95/70/1005369570.db2.gz MSWVMEBWYFXOLH-PFATUAPWSA-N 2 1 420.601 3.686 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000503212138 1005369573 /nfs/dbraw/zinc/36/95/73/1005369573.db2.gz MSWVMEBWYFXOLH-PFATUAPWSA-N 2 1 420.601 3.686 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000503212138 1005369576 /nfs/dbraw/zinc/36/95/76/1005369576.db2.gz MSWVMEBWYFXOLH-PFATUAPWSA-N 2 1 420.601 3.686 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000503473392 1005431330 /nfs/dbraw/zinc/43/13/30/1005431330.db2.gz NWQUAAQIIYLLCH-NOZRDPDXSA-N 2 1 420.601 3.687 20 0 HHADMP CCc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)[NH+](C)C)cc1 ZINC000503496489 1005437140 /nfs/dbraw/zinc/43/71/40/1005437140.db2.gz AELGUIYGNZLOBB-ILBGXUMGSA-N 2 1 422.617 3.716 20 0 HHADMP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)c2)CC1 ZINC000504199134 1005571948 /nfs/dbraw/zinc/57/19/48/1005571948.db2.gz JXANHIHTPQMOBQ-DEOSSOPVSA-N 2 1 406.574 3.820 20 0 HHADMP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000504296837 1005591728 /nfs/dbraw/zinc/59/17/28/1005591728.db2.gz VEWGWQILTYJHQC-GOTSBHOMSA-N 2 1 406.574 3.841 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(CC[NH+](C)C)Cc3ccccn3)cc2)C1 ZINC000504398951 1005618708 /nfs/dbraw/zinc/61/87/08/1005618708.db2.gz KQIYNFHCRKNPLX-NRFANRHFSA-N 2 1 423.605 3.587 20 0 HHADMP CC(C)Oc1ccccc1C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000531167432 1006025887 /nfs/dbraw/zinc/02/58/87/1006025887.db2.gz ZTUQTUUZUDYYKK-UHFFFAOYSA-N 2 1 423.601 3.934 20 0 HHADMP Cc1nc(C(C)C)sc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000531188684 1006034676 /nfs/dbraw/zinc/03/46/76/1006034676.db2.gz ZDJACPCRNPYVLD-UHFFFAOYSA-N 2 1 406.640 3.843 20 0 HHADMP Cc1nc2ccccn2c(=O)c1CCN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000514635758 1006064139 /nfs/dbraw/zinc/06/41/39/1006064139.db2.gz XZJUKLKOXGUHJL-ISKFKSNPSA-N 2 1 416.569 3.532 20 0 HHADMP Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000514635758 1006064150 /nfs/dbraw/zinc/06/41/50/1006064150.db2.gz XZJUKLKOXGUHJL-ISKFKSNPSA-N 2 1 416.569 3.532 20 0 HHADMP Cc1nc2ccccn2c(=O)c1CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000514635758 1006064161 /nfs/dbraw/zinc/06/41/61/1006064161.db2.gz XZJUKLKOXGUHJL-ISKFKSNPSA-N 2 1 416.569 3.532 20 0 HHADMP Cc1cc(-c2nnc(C[N@@H+](C)CCC3CC[NH+](C4CCN(C)CC4)CC3)o2)c(C)o1 ZINC000534107578 1006083291 /nfs/dbraw/zinc/08/32/91/1006083291.db2.gz LQKWZPPTLFUWIX-UHFFFAOYSA-N 2 1 415.582 3.575 20 0 HHADMP Cc1cc(-c2nnc(C[N@H+](C)CCC3CC[NH+](C4CCN(C)CC4)CC3)o2)c(C)o1 ZINC000534107578 1006083303 /nfs/dbraw/zinc/08/33/03/1006083303.db2.gz LQKWZPPTLFUWIX-UHFFFAOYSA-N 2 1 415.582 3.575 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000534181161 1006169592 /nfs/dbraw/zinc/16/95/92/1006169592.db2.gz GSKNFKRPUXYISW-LOSJGSFVSA-N 2 1 423.601 3.531 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000534181161 1006169596 /nfs/dbraw/zinc/16/95/96/1006169596.db2.gz GSKNFKRPUXYISW-LOSJGSFVSA-N 2 1 423.601 3.531 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000534181161 1006169602 /nfs/dbraw/zinc/16/96/02/1006169602.db2.gz GSKNFKRPUXYISW-LOSJGSFVSA-N 2 1 423.601 3.531 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000531395448 1006171382 /nfs/dbraw/zinc/17/13/82/1006171382.db2.gz KVXKYYIATSRBLA-REWPJTCUSA-N 2 1 400.611 3.659 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000531395448 1006171389 /nfs/dbraw/zinc/17/13/89/1006171389.db2.gz KVXKYYIATSRBLA-REWPJTCUSA-N 2 1 400.611 3.659 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000531395448 1006171393 /nfs/dbraw/zinc/17/13/93/1006171393.db2.gz KVXKYYIATSRBLA-REWPJTCUSA-N 2 1 400.611 3.659 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[NH+](C)[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)c2cc1C ZINC000531427363 1006188107 /nfs/dbraw/zinc/18/81/07/1006188107.db2.gz ICRODQAYBJGIAF-YFNKSVMNSA-N 2 1 420.601 3.999 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[NH+](C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)c2cc1C ZINC000531427363 1006188109 /nfs/dbraw/zinc/18/81/09/1006188109.db2.gz ICRODQAYBJGIAF-YFNKSVMNSA-N 2 1 420.601 3.999 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[N@@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)c2cc1C ZINC000531427363 1006188116 /nfs/dbraw/zinc/18/81/16/1006188116.db2.gz ICRODQAYBJGIAF-YFNKSVMNSA-N 2 1 420.601 3.999 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[N@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)c2cc1C ZINC000531427363 1006188120 /nfs/dbraw/zinc/18/81/20/1006188120.db2.gz ICRODQAYBJGIAF-YFNKSVMNSA-N 2 1 420.601 3.999 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000531443270 1006199310 /nfs/dbraw/zinc/19/93/10/1006199310.db2.gz JDEDPDPBPPEKCP-IBGZPJMESA-N 2 1 408.546 3.638 20 0 HHADMP CC(C)Cc1ccc(C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)cc1 ZINC000531531423 1006258368 /nfs/dbraw/zinc/25/83/68/1006258368.db2.gz BGRCMSICXOQTOP-UHFFFAOYSA-N 2 1 409.574 3.836 20 0 HHADMP CC[C@H](C)n1ncc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)c1C1CC1 ZINC000534252032 1006260758 /nfs/dbraw/zinc/26/07/58/1006260758.db2.gz SBPNFMRMCNBBDN-HKUYNNGSSA-N 2 1 404.603 3.611 20 0 HHADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c1C ZINC000531677652 1006348684 /nfs/dbraw/zinc/34/86/84/1006348684.db2.gz FDGGJKLNJUJFER-WIYYLYMNSA-N 2 1 414.619 3.660 20 0 HHADMP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1Cl ZINC000531719788 1006377772 /nfs/dbraw/zinc/37/77/72/1006377772.db2.gz PQMPQXDMWGCJLA-OXQOHEQNSA-N 2 1 415.965 3.897 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000531721445 1006378451 /nfs/dbraw/zinc/37/84/51/1006378451.db2.gz QAWWVYCTYTWWQM-DNVKUUNQSA-N 2 1 404.558 3.714 20 0 HHADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000531976295 1006555719 /nfs/dbraw/zinc/55/57/19/1006555719.db2.gz WLNVPZUOADQIBC-MBSDFSHPSA-N 2 1 415.965 3.592 20 0 HHADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000531976295 1006555729 /nfs/dbraw/zinc/55/57/29/1006555729.db2.gz WLNVPZUOADQIBC-MBSDFSHPSA-N 2 1 415.965 3.592 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000531995295 1006566745 /nfs/dbraw/zinc/56/67/45/1006566745.db2.gz MTYUHVMYWXLRRN-LJQANCHMSA-N 3 1 404.558 3.988 20 0 HHADMP CN(c1ccccc1CNc1cccc(C[NH+]2CCN(C)CC2)c1)C1CC[NH+](C)CC1 ZINC000532107905 1006641747 /nfs/dbraw/zinc/64/17/47/1006641747.db2.gz LDNQTLJNXSDASJ-UHFFFAOYSA-N 2 1 421.633 3.577 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)NC(=O)NC1CCCCC1 ZINC000515756051 1006644583 /nfs/dbraw/zinc/64/45/83/1006644583.db2.gz GPJDDOLFIDPZMR-OALUTQOASA-N 2 1 414.594 3.698 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000534720397 1006706715 /nfs/dbraw/zinc/70/67/15/1006706715.db2.gz ADVJBVANPOEKQQ-ZEQRLZLVSA-N 2 1 406.574 3.738 20 0 HHADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c(C)c1 ZINC000532188771 1006707262 /nfs/dbraw/zinc/70/72/62/1006707262.db2.gz XZVLAHKKFHQLGJ-PZJWPPBQSA-N 2 1 414.619 3.660 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)[C@@H](C)C1 ZINC000532223662 1006733215 /nfs/dbraw/zinc/73/32/15/1006733215.db2.gz RPWBRLRIIPEVMS-PGRDOPGGSA-N 2 1 422.013 3.671 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000534789014 1006789509 /nfs/dbraw/zinc/78/95/09/1006789509.db2.gz FLOJTUMTCZENTL-NHCUHLMSSA-N 2 1 400.954 3.646 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000534789014 1006789532 /nfs/dbraw/zinc/78/95/32/1006789532.db2.gz FLOJTUMTCZENTL-NHCUHLMSSA-N 2 1 400.954 3.646 20 0 HHADMP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000532393913 1006841650 /nfs/dbraw/zinc/84/16/50/1006841650.db2.gz YIZJUAWXCGLNBX-INIZCTEOSA-N 2 1 408.575 3.511 20 0 HHADMP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000532393462 1006841772 /nfs/dbraw/zinc/84/17/72/1006841772.db2.gz RSSGNOILGYJIRJ-SFHVURJKSA-N 2 1 408.377 3.646 20 0 HHADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000532442811 1006886090 /nfs/dbraw/zinc/88/60/90/1006886090.db2.gz IPRCBCLONXWORA-RXVVDRJESA-N 2 1 412.603 3.514 20 0 HHADMP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)N2CCOCC2)cc1 ZINC000532460348 1006900374 /nfs/dbraw/zinc/90/03/74/1006900374.db2.gz GWEKUCUGDYWRJM-NZJKTDFXSA-N 2 1 423.601 3.711 20 0 HHADMP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)N2CCOCC2)cc1 ZINC000532460348 1006900383 /nfs/dbraw/zinc/90/03/83/1006900383.db2.gz GWEKUCUGDYWRJM-NZJKTDFXSA-N 2 1 423.601 3.711 20 0 HHADMP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000532482527 1006921113 /nfs/dbraw/zinc/92/11/13/1006921113.db2.gz JNFRTOQVDOKOIA-WMZHIEFXSA-N 2 1 421.651 3.647 20 0 HHADMP CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000532488483 1006929279 /nfs/dbraw/zinc/92/92/79/1006929279.db2.gz CTKRDMVCBQUGSC-IBGZPJMESA-N 2 1 417.557 3.700 20 0 HHADMP CCCOc1c(Cl)cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1OC ZINC000516207019 1006944594 /nfs/dbraw/zinc/94/45/94/1006944594.db2.gz LZJNELHSFNCQHH-UHFFFAOYSA-N 2 1 418.925 3.537 20 0 HHADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000516215022 1006951237 /nfs/dbraw/zinc/95/12/37/1006951237.db2.gz BTYSZFRNOMOMGW-QGZVFWFLSA-N 2 1 422.411 3.682 20 0 HHADMP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000532549999 1006981213 /nfs/dbraw/zinc/98/12/13/1006981213.db2.gz KQVXNBPSFRQMQT-FGTMMUONSA-N 2 1 407.986 3.797 20 0 HHADMP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000532549999 1006981221 /nfs/dbraw/zinc/98/12/21/1006981221.db2.gz KQVXNBPSFRQMQT-FGTMMUONSA-N 2 1 407.986 3.797 20 0 HHADMP Cc1ccc(-n2cc(C[N@@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000538723188 1006998233 /nfs/dbraw/zinc/99/82/33/1006998233.db2.gz NVLYTHQMYPDAJY-ZJSXRUAMSA-N 2 1 423.649 3.936 20 0 HHADMP Cc1ccc(-n2cc(C[N@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000538723188 1006998242 /nfs/dbraw/zinc/99/82/42/1006998242.db2.gz NVLYTHQMYPDAJY-ZJSXRUAMSA-N 2 1 423.649 3.936 20 0 HHADMP COc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(Cl)c1OC ZINC000538724818 1007002149 /nfs/dbraw/zinc/00/21/49/1007002149.db2.gz DFTUXUZETMPZIX-UHFFFAOYSA-N 2 1 424.029 3.985 20 0 HHADMP CCOc1cccc(CNC(=O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000534962502 1007010806 /nfs/dbraw/zinc/01/08/06/1007010806.db2.gz AIVLURXKMFTVQB-UHFFFAOYSA-N 2 1 421.585 3.690 20 0 HHADMP O=C(C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)NCc1cc(F)cc(F)c1 ZINC000534965287 1007016426 /nfs/dbraw/zinc/01/64/26/1007016426.db2.gz PYFQPZLZYXPQBF-UHFFFAOYSA-N 2 1 413.512 3.569 20 0 HHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000538763714 1007048972 /nfs/dbraw/zinc/04/89/72/1007048972.db2.gz RSYNSBKJJDLZBP-QFIPXVFZSA-N 2 1 416.013 3.743 20 0 HHADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000532627445 1007048829 /nfs/dbraw/zinc/04/88/29/1007048829.db2.gz RTAOQPMGTOYTRM-WOJBJXKFSA-N 2 1 421.379 3.582 20 0 HHADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000534997506 1007057292 /nfs/dbraw/zinc/05/72/92/1007057292.db2.gz MWMZJOSDBPWKDX-PMACEKPBSA-N 2 1 417.619 3.665 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCCCc1cccs1 ZINC000538809904 1007088543 /nfs/dbraw/zinc/08/85/43/1007088543.db2.gz MPPAYXPHVGTFGN-UHFFFAOYSA-N 2 1 406.640 3.518 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)C1 ZINC000532783986 1007180736 /nfs/dbraw/zinc/18/07/36/1007180736.db2.gz DVJBOFGFEKMMEP-HXUWFJFHSA-N 2 1 418.585 3.814 20 0 HHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)C1 ZINC000532783986 1007180745 /nfs/dbraw/zinc/18/07/45/1007180745.db2.gz DVJBOFGFEKMMEP-HXUWFJFHSA-N 2 1 418.585 3.814 20 0 HHADMP CCC1(CNC(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CC[NH+](Cc2ccccc2)CC1 ZINC000532832261 1007216849 /nfs/dbraw/zinc/21/68/49/1007216849.db2.gz GTKCZVYUIJVOPW-HXUWFJFHSA-N 2 1 411.594 3.819 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)c(C)c2)CC1 ZINC000516789436 1007290234 /nfs/dbraw/zinc/29/02/34/1007290234.db2.gz DXRBSDIUGLMWHL-DEOSSOPVSA-N 2 1 421.589 3.658 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)c(C)c2)CC1 ZINC000516789436 1007290245 /nfs/dbraw/zinc/29/02/45/1007290245.db2.gz DXRBSDIUGLMWHL-DEOSSOPVSA-N 2 1 421.589 3.658 20 0 HHADMP c1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000532967218 1007333789 /nfs/dbraw/zinc/33/37/89/1007333789.db2.gz NOCUCIYINSNBQT-UIOOFZCWSA-N 3 1 410.650 3.522 20 0 HHADMP c1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000532967218 1007333802 /nfs/dbraw/zinc/33/38/02/1007333802.db2.gz NOCUCIYINSNBQT-UIOOFZCWSA-N 3 1 410.650 3.522 20 0 HHADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000539042714 1007340060 /nfs/dbraw/zinc/34/00/60/1007340060.db2.gz GYMXPAPWRQSUPM-DYXWJJEUSA-N 2 1 415.603 3.546 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C1 ZINC000532985062 1007356640 /nfs/dbraw/zinc/35/66/40/1007356640.db2.gz AEEQOQVDHTWQMM-LJQANCHMSA-N 2 1 412.578 3.706 20 0 HHADMP Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cnn1-c1cccc(Cl)c1 ZINC000539063394 1007356731 /nfs/dbraw/zinc/35/67/31/1007356731.db2.gz CTZFFBGAOVJSNF-ITEAAPOESA-N 2 1 402.970 3.863 20 0 HHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000539073097 1007364070 /nfs/dbraw/zinc/36/40/70/1007364070.db2.gz HXKPTDGYBZWDGT-ZCNNSNEGSA-N 2 1 400.567 3.539 20 0 HHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1)CC(C)C ZINC000539100365 1007389045 /nfs/dbraw/zinc/38/90/45/1007389045.db2.gz VGNCLNDPKWRMFQ-LJQANCHMSA-N 2 1 405.549 3.867 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC1 ZINC000535397310 1007463059 /nfs/dbraw/zinc/46/30/59/1007463059.db2.gz NIUALENPGGJVJT-JWQCQUIFSA-N 2 1 420.601 3.985 20 0 HHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000535397310 1007463067 /nfs/dbraw/zinc/46/30/67/1007463067.db2.gz NIUALENPGGJVJT-JWQCQUIFSA-N 2 1 420.601 3.985 20 0 HHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000535397310 1007463070 /nfs/dbraw/zinc/46/30/70/1007463070.db2.gz NIUALENPGGJVJT-JWQCQUIFSA-N 2 1 420.601 3.985 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000539246921 1007540235 /nfs/dbraw/zinc/54/02/35/1007540235.db2.gz SUIXEXFTMZKZEF-ZIFCJYIRSA-N 2 1 417.500 3.718 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000539246921 1007540253 /nfs/dbraw/zinc/54/02/53/1007540253.db2.gz SUIXEXFTMZKZEF-ZIFCJYIRSA-N 2 1 417.500 3.718 20 0 HHADMP CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000539266264 1007561202 /nfs/dbraw/zinc/56/12/02/1007561202.db2.gz YWLBEGISFMXPRO-MIZPHKNDSA-N 2 1 409.574 3.904 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)CC1 ZINC000533271355 1007586215 /nfs/dbraw/zinc/58/62/15/1007586215.db2.gz FPLJMWZHLYUNML-KRWDZBQOSA-N 2 1 402.608 3.695 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)o1 ZINC000535559508 1007593650 /nfs/dbraw/zinc/59/36/50/1007593650.db2.gz QNCKEXOWYMNQJA-NHCUHLMSSA-N 2 1 418.969 3.760 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)o1 ZINC000535559508 1007593662 /nfs/dbraw/zinc/59/36/62/1007593662.db2.gz QNCKEXOWYMNQJA-NHCUHLMSSA-N 2 1 418.969 3.760 20 0 HHADMP C[N@@H+](CCc1cccc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)c1)C1CC1 ZINC000539330960 1007631237 /nfs/dbraw/zinc/63/12/37/1007631237.db2.gz JJGLRFCCLCRTOR-UHFFFAOYSA-N 2 1 421.585 3.780 20 0 HHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc3cnccn23)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000533329941 1007639717 /nfs/dbraw/zinc/63/97/17/1007639717.db2.gz XQHNAPJHPAUFJI-OXJNMPFZSA-N 2 1 403.452 3.921 20 0 HHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc3cnccn23)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000533329941 1007639718 /nfs/dbraw/zinc/63/97/18/1007639718.db2.gz XQHNAPJHPAUFJI-OXJNMPFZSA-N 2 1 403.452 3.921 20 0 HHADMP C[N@H+]1CC[C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535677578 1007703194 /nfs/dbraw/zinc/70/31/94/1007703194.db2.gz VLBQKLHKDFLQKA-AXRZQBEVSA-N 2 1 422.976 3.786 20 0 HHADMP C[NH+]1CC[C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535677578 1007703202 /nfs/dbraw/zinc/70/32/02/1007703202.db2.gz VLBQKLHKDFLQKA-AXRZQBEVSA-N 2 1 422.976 3.786 20 0 HHADMP C[NH+]1CC[C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535677578 1007703211 /nfs/dbraw/zinc/70/32/11/1007703211.db2.gz VLBQKLHKDFLQKA-AXRZQBEVSA-N 2 1 422.976 3.786 20 0 HHADMP CC(C)N(CC(F)(F)F)C(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535679736 1007707855 /nfs/dbraw/zinc/70/78/55/1007707855.db2.gz KJMAHBPZFLOLLD-UHFFFAOYSA-N 2 1 411.512 3.774 20 0 HHADMP CC(C)N(CC(F)(F)F)C(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535679736 1007707866 /nfs/dbraw/zinc/70/78/66/1007707866.db2.gz KJMAHBPZFLOLLD-UHFFFAOYSA-N 2 1 411.512 3.774 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](C3CCCC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535697531 1007733148 /nfs/dbraw/zinc/73/31/48/1007733148.db2.gz AUTRCQYKCCOTQS-DYESRHJHSA-N 2 1 422.976 3.742 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000517541723 1007758455 /nfs/dbraw/zinc/75/84/55/1007758455.db2.gz RVQXURNJAXGKGQ-GBXCKJPGSA-N 2 1 406.574 3.917 20 0 HHADMP COc1cccc2cc([C@@H](C)[NH2+]Cc3cccc(C[N@H+]4CCC[C@@H](C(N)=O)C4)c3)oc21 ZINC000539496375 1007807594 /nfs/dbraw/zinc/80/75/94/1007807594.db2.gz HUTCUOPAZANEGF-DYESRHJHSA-N 2 1 421.541 3.990 20 0 HHADMP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000533532276 1007853859 /nfs/dbraw/zinc/85/38/59/1007853859.db2.gz YQPUQLBMMUQIHR-UHFFFAOYSA-N 2 1 408.521 3.637 20 0 HHADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000539546435 1007857824 /nfs/dbraw/zinc/85/78/24/1007857824.db2.gz BPMWKAYRTMPNJA-UHFFFAOYSA-N 2 1 402.542 3.959 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)C[NH+]1Cc1ccccc1 ZINC000533578671 1007882101 /nfs/dbraw/zinc/88/21/01/1007882101.db2.gz GVLCJEJTLNGUFM-IFMALSPDSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[NH+](C(C)(C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000533578671 1007882115 /nfs/dbraw/zinc/88/21/15/1007882115.db2.gz GVLCJEJTLNGUFM-IFMALSPDSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[NH+](C(C)(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000533578671 1007882137 /nfs/dbraw/zinc/88/21/37/1007882137.db2.gz GVLCJEJTLNGUFM-IFMALSPDSA-N 2 1 400.611 3.803 20 0 HHADMP COc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)cc1 ZINC000517728032 1007933723 /nfs/dbraw/zinc/93/37/23/1007933723.db2.gz FSCONJUKENJUFU-NOZRDPDXSA-N 2 1 421.585 3.861 20 0 HHADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc3[nH]c(CCN4CCOCC4)[nH+]c3c2)C1 ZINC000539708185 1008025957 /nfs/dbraw/zinc/02/59/57/1008025957.db2.gz BVLHSOXOIGSLBR-KNQAVFIVSA-N 2 1 419.573 3.685 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc3[nH]c(CCN4CCOCC4)[nH+]c3c2)C1 ZINC000539708185 1008025963 /nfs/dbraw/zinc/02/59/63/1008025963.db2.gz BVLHSOXOIGSLBR-KNQAVFIVSA-N 2 1 419.573 3.685 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000517884058 1008028769 /nfs/dbraw/zinc/02/87/69/1008028769.db2.gz XPEWMOYKTXBXTH-WOJBJXKFSA-N 2 1 406.640 3.941 20 0 HHADMP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1OCc1ccccc1 ZINC000539893860 1008169115 /nfs/dbraw/zinc/16/91/15/1008169115.db2.gz AQVGFWWBZVZKKV-AOHZBQACSA-N 2 1 410.558 3.958 20 0 HHADMP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1OCc1ccccc1 ZINC000539893860 1008169117 /nfs/dbraw/zinc/16/91/17/1008169117.db2.gz AQVGFWWBZVZKKV-AOHZBQACSA-N 2 1 410.558 3.958 20 0 HHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000539896972 1008170733 /nfs/dbraw/zinc/17/07/33/1008170733.db2.gz SXLMJMSTKDGRIT-WTIAFYNJSA-N 2 1 416.997 3.885 20 0 HHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000539896972 1008170736 /nfs/dbraw/zinc/17/07/36/1008170736.db2.gz SXLMJMSTKDGRIT-WTIAFYNJSA-N 2 1 416.997 3.885 20 0 HHADMP C[C@@H](c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1)[NH+]1CCOCC1 ZINC000518421422 1008298303 /nfs/dbraw/zinc/29/83/03/1008298303.db2.gz BBYXMDUWFPIYQB-FQEVSTJZSA-N 2 1 407.558 3.931 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000540160847 1008316678 /nfs/dbraw/zinc/31/66/78/1008316678.db2.gz OXROFDGAQHBERK-BPCBYJRWSA-N 2 1 420.569 3.802 20 0 HHADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)[C@@H](C)C1 ZINC000540170158 1008320832 /nfs/dbraw/zinc/32/08/32/1008320832.db2.gz WKHRVFFDLVOOHE-RDPSFJRHSA-N 2 1 409.574 3.875 20 0 HHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCCOc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000540245613 1008350990 /nfs/dbraw/zinc/35/09/90/1008350990.db2.gz ZFUGXCIYUYLJEU-KDURUIRLSA-N 2 1 410.986 3.699 20 0 HHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCCOc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000540245613 1008350995 /nfs/dbraw/zinc/35/09/95/1008350995.db2.gz ZFUGXCIYUYLJEU-KDURUIRLSA-N 2 1 410.986 3.699 20 0 HHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000518615969 1008366618 /nfs/dbraw/zinc/36/66/18/1008366618.db2.gz DVLXDICRJYXSIW-HDICACEKSA-N 2 1 407.002 3.867 20 0 HHADMP COc1ccc([C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C2CC2)cc1 ZINC000540301485 1008372642 /nfs/dbraw/zinc/37/26/42/1008372642.db2.gz ZTIGUNRSIQFLEE-LADGPHEKSA-N 2 1 407.558 3.633 20 0 HHADMP C[NH+](C)[C@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)c1ccccc1 ZINC000518733526 1008407627 /nfs/dbraw/zinc/40/76/27/1008407627.db2.gz DXZYNTLIZAXFJN-QHCPKHFHSA-N 2 1 408.546 3.743 20 0 HHADMP COC[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc(F)c(F)c1 ZINC000540405627 1008419061 /nfs/dbraw/zinc/41/90/61/1008419061.db2.gz CSLIHPZCDXRICR-DHIUTWEWSA-N 2 1 403.517 3.621 20 0 HHADMP COC[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(F)c(F)c1 ZINC000540405628 1008419111 /nfs/dbraw/zinc/41/91/11/1008419111.db2.gz CSLIHPZCDXRICR-GOTSBHOMSA-N 2 1 403.517 3.621 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000540466874 1008442669 /nfs/dbraw/zinc/44/26/69/1008442669.db2.gz NLRXYVKXAWHRGG-HOIFWPIMSA-N 2 1 404.514 3.860 20 0 HHADMP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]CC1(N3CCCCC3)CCOCC1)c1ccccc1O2 ZINC000540494732 1008454746 /nfs/dbraw/zinc/45/47/46/1008454746.db2.gz JBWQAZOAOFDYFG-JOCHJYFZSA-N 2 1 413.606 3.599 20 0 HHADMP C[C@@H](C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000518881602 1008458133 /nfs/dbraw/zinc/45/81/33/1008458133.db2.gz VDHRCDHWNGJOKD-FQEVSTJZSA-N 2 1 418.585 3.604 20 0 HHADMP C[C@@H](C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[N@H+]1CCc2ccccc2C1 ZINC000518881602 1008458135 /nfs/dbraw/zinc/45/81/35/1008458135.db2.gz VDHRCDHWNGJOKD-FQEVSTJZSA-N 2 1 418.585 3.604 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccsc1 ZINC000518966773 1008489649 /nfs/dbraw/zinc/48/96/49/1008489649.db2.gz PLJZSHULEPAQPJ-KBRMVUAJSA-N 2 1 412.603 3.846 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)NCC2(C[NH+](C)C)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000545448722 1008561983 /nfs/dbraw/zinc/56/19/83/1008561983.db2.gz XTKTXWRUXPVVAK-IRLDBZIGSA-N 2 1 400.611 3.803 20 0 HHADMP C[N@@H+](CC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@@H]1CCSC1 ZINC000549028381 1008597687 /nfs/dbraw/zinc/59/76/87/1008597687.db2.gz FJEXCQLDTRHHMY-HNHRGLGWSA-N 2 1 422.038 3.807 20 0 HHADMP C[NH+](CC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CCSC1 ZINC000549028381 1008597698 /nfs/dbraw/zinc/59/76/98/1008597698.db2.gz FJEXCQLDTRHHMY-HNHRGLGWSA-N 2 1 422.038 3.807 20 0 HHADMP C[NH+](CC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCSC1 ZINC000549028381 1008597707 /nfs/dbraw/zinc/59/77/07/1008597707.db2.gz FJEXCQLDTRHHMY-HNHRGLGWSA-N 2 1 422.038 3.807 20 0 HHADMP c1ccc(C[NH+]2CCN(Cc3nc(-c4ccccc4C[NH+]4CCCC4)no3)CC2)cc1 ZINC000545531634 1008632423 /nfs/dbraw/zinc/63/24/23/1008632423.db2.gz SWYBKUTXNAYMQA-UHFFFAOYSA-N 2 1 417.557 3.650 20 0 HHADMP COc1ccc([C@@H](CNC(=O)C[N@H+](C)CCc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000519227417 1008635035 /nfs/dbraw/zinc/63/50/35/1008635035.db2.gz NBFFEZAFBCGMPC-XMMPIXPASA-N 2 1 409.574 3.513 20 0 HHADMP COc1ccc([C@@H](CNC(=O)C[N@@H+](C)CCc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000519227417 1008635043 /nfs/dbraw/zinc/63/50/43/1008635043.db2.gz NBFFEZAFBCGMPC-XMMPIXPASA-N 2 1 409.574 3.513 20 0 HHADMP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000543078514 1008656172 /nfs/dbraw/zinc/65/61/72/1008656172.db2.gz WCOYORHWXATEJQ-YCRNBWNJSA-N 2 1 423.557 3.833 20 0 HHADMP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000543078514 1008656178 /nfs/dbraw/zinc/65/61/78/1008656178.db2.gz WCOYORHWXATEJQ-YCRNBWNJSA-N 2 1 423.557 3.833 20 0 HHADMP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000519322426 1008730469 /nfs/dbraw/zinc/73/04/69/1008730469.db2.gz VVQFAXFSMFRPJU-HXUWFJFHSA-N 2 1 419.013 3.868 20 0 HHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000549164576 1008735899 /nfs/dbraw/zinc/73/58/99/1008735899.db2.gz ICQLCCQGZPKXQF-HYBUGGRVSA-N 2 1 407.558 3.798 20 0 HHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000549164576 1008735909 /nfs/dbraw/zinc/73/59/09/1008735909.db2.gz ICQLCCQGZPKXQF-HYBUGGRVSA-N 2 1 407.558 3.798 20 0 HHADMP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000549207511 1008778591 /nfs/dbraw/zinc/77/85/91/1008778591.db2.gz PGDIULAHGJGFOE-JOCHJYFZSA-N 2 1 400.611 3.803 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N(C)CCC[NH+]2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000543399204 1008990750 /nfs/dbraw/zinc/99/07/50/1008990750.db2.gz INBPCXUFZDVFRL-NHCUHLMSSA-N 2 1 408.537 3.616 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N(C)CCC[NH+]2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000543399204 1008990762 /nfs/dbraw/zinc/99/07/62/1008990762.db2.gz INBPCXUFZDVFRL-NHCUHLMSSA-N 2 1 408.537 3.616 20 0 HHADMP COc1cc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(OC)cc1Cl ZINC000543461810 1009049977 /nfs/dbraw/zinc/04/99/77/1009049977.db2.gz SLPNCOKYDQJZIV-HUUCEWRRSA-N 2 1 409.958 3.538 20 0 HHADMP COc1cc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(OC)cc1Cl ZINC000543461810 1009049981 /nfs/dbraw/zinc/04/99/81/1009049981.db2.gz SLPNCOKYDQJZIV-HUUCEWRRSA-N 2 1 409.958 3.538 20 0 HHADMP COc1cc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(OC)cc1Cl ZINC000543461809 1009050062 /nfs/dbraw/zinc/05/00/62/1009050062.db2.gz SLPNCOKYDQJZIV-GJZGRUSLSA-N 2 1 409.958 3.538 20 0 HHADMP COc1cc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(OC)cc1Cl ZINC000543461809 1009050082 /nfs/dbraw/zinc/05/00/82/1009050082.db2.gz SLPNCOKYDQJZIV-GJZGRUSLSA-N 2 1 409.958 3.538 20 0 HHADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC[N@@H+](C)C2CCCC2)CC1 ZINC000546164610 1009196679 /nfs/dbraw/zinc/19/66/79/1009196679.db2.gz GQAPMHUVRVPYJW-UHFFFAOYSA-N 2 1 422.411 3.826 20 0 HHADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC[N@H+](C)C2CCCC2)CC1 ZINC000546164610 1009196682 /nfs/dbraw/zinc/19/66/82/1009196682.db2.gz GQAPMHUVRVPYJW-UHFFFAOYSA-N 2 1 422.411 3.826 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)cc1F ZINC000520074763 1009236128 /nfs/dbraw/zinc/23/61/28/1009236128.db2.gz MVHBUGONCIQBQS-JOCHJYFZSA-N 2 1 409.509 3.730 20 0 HHADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000543643174 1009247006 /nfs/dbraw/zinc/24/70/06/1009247006.db2.gz ZAEJAZSNEHXYGI-VQTJNVASSA-N 2 1 400.611 3.933 20 0 HHADMP Cc1nn(-c2ccccc2)cc1C[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000520207357 1009341644 /nfs/dbraw/zinc/34/16/44/1009341644.db2.gz SVMMOLLZRKXCLG-RUZDIDTESA-N 2 1 403.574 3.649 20 0 HHADMP CC(C)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2[nH]c(=O)oc2c1 ZINC000543773373 1009342218 /nfs/dbraw/zinc/34/22/18/1009342218.db2.gz IKQFHTXRKWAIQV-OFNKIYASSA-N 2 1 409.530 3.977 20 0 HHADMP O=C(c1ccccc1)N1CC[C@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000549718874 1009347917 /nfs/dbraw/zinc/34/79/17/1009347917.db2.gz FRFPJISJVGHJOP-GPXOXTDOSA-N 2 1 403.570 3.603 20 0 HHADMP O=C(c1ccccc1)N1CC[C@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000549718874 1009347926 /nfs/dbraw/zinc/34/79/26/1009347926.db2.gz FRFPJISJVGHJOP-GPXOXTDOSA-N 2 1 403.570 3.603 20 0 HHADMP O=C(c1ccccc1)N1CC[C@H](C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000549718874 1009347941 /nfs/dbraw/zinc/34/79/41/1009347941.db2.gz FRFPJISJVGHJOP-GPXOXTDOSA-N 2 1 403.570 3.603 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000543812301 1009375286 /nfs/dbraw/zinc/37/52/86/1009375286.db2.gz BPNOBSWXIXJCDG-PMACEKPBSA-N 2 1 417.557 3.569 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCCOc2cccc(C)c2)cc1 ZINC000543814726 1009377948 /nfs/dbraw/zinc/37/79/48/1009377948.db2.gz NYYIMWVCEDDMMI-OALUTQOASA-N 2 1 406.530 3.723 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]CCS(=O)(=O)c3ccccc3)cc2)C1 ZINC000549806589 1009414344 /nfs/dbraw/zinc/41/43/44/1009414344.db2.gz ZHUJVRBJZSCMLI-BGYRXZFFSA-N 2 1 400.588 3.728 20 0 HHADMP CCc1cnccc1[C@H](C)[NH2+]CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000543980235 1009581277 /nfs/dbraw/zinc/58/12/77/1009581277.db2.gz NTENUCWELORTQV-FQEVSTJZSA-N 2 1 416.569 3.792 20 0 HHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC(c4ccc(C)nc4)CC3)CC2)cc1 ZINC000543990679 1009589107 /nfs/dbraw/zinc/58/91/07/1009589107.db2.gz QIRHEYDKZYQCSI-UHFFFAOYSA-N 2 1 420.601 3.612 20 0 HHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC(c4ccc(C)nc4)CC3)CC2)cc1 ZINC000543990679 1009589122 /nfs/dbraw/zinc/58/91/22/1009589122.db2.gz QIRHEYDKZYQCSI-UHFFFAOYSA-N 2 1 420.601 3.612 20 0 HHADMP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000544002975 1009603840 /nfs/dbraw/zinc/60/38/40/1009603840.db2.gz SRRVFVKPBYCZDB-YJBOKZPZSA-N 2 1 423.623 3.969 20 0 HHADMP C[N@H+]1CCN(CCC[NH2+]Cc2conc2Cc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000550097479 1009699876 /nfs/dbraw/zinc/69/98/76/1009699876.db2.gz QSRPPIFQJIVTRY-RUZDIDTESA-N 2 1 404.558 3.734 20 0 HHADMP C[N@@H+]1CCCC12CC[NH+](CCCOc1cccc(I)c1)CC2 ZINC000544131585 1009741173 /nfs/dbraw/zinc/74/11/73/1009741173.db2.gz SINMVNCDWJCZSL-UHFFFAOYSA-N 2 1 414.331 3.620 20 0 HHADMP C[N@H+]1CCCC12CC[NH+](CCCOc1cccc(I)c1)CC2 ZINC000544131585 1009741183 /nfs/dbraw/zinc/74/11/83/1009741183.db2.gz SINMVNCDWJCZSL-UHFFFAOYSA-N 2 1 414.331 3.620 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[NH+]1CCCCC1 ZINC000520708479 1009775657 /nfs/dbraw/zinc/77/56/57/1009775657.db2.gz WGWHGIHZGVANCY-KNQAVFIVSA-N 2 1 414.594 3.538 20 0 HHADMP C[N@H+]1CC=C(CNC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000544287931 1009905907 /nfs/dbraw/zinc/90/59/07/1009905907.db2.gz MLAWPWJGZNMRRU-UHFFFAOYSA-N 2 1 411.377 3.519 20 0 HHADMP C[N@@H+]1CC=C(CNC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000544287931 1009905910 /nfs/dbraw/zinc/90/59/10/1009905910.db2.gz MLAWPWJGZNMRRU-UHFFFAOYSA-N 2 1 411.377 3.519 20 0 HHADMP COc1ccc(Oc2ccc(C[N@@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@H](C)C3)cc2)cc1 ZINC000544351044 1009976723 /nfs/dbraw/zinc/97/67/23/1009976723.db2.gz NIINLZMQEFOKCM-NLFFAJNJSA-N 2 1 409.574 3.945 20 0 HHADMP COc1ccc(Oc2ccc(C[N@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@H](C)C3)cc2)cc1 ZINC000544351044 1009976733 /nfs/dbraw/zinc/97/67/33/1009976733.db2.gz NIINLZMQEFOKCM-NLFFAJNJSA-N 2 1 409.574 3.945 20 0 HHADMP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3ccc(F)cc3)c3cccnc3)cn2)CC1 ZINC000544366872 1009995099 /nfs/dbraw/zinc/99/50/99/1009995099.db2.gz ZFYPQWOSMPZPRB-DEOSSOPVSA-N 2 1 405.521 3.637 20 0 HHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](C)c3cc(C)sc3C)CC2)cc1 ZINC000544401121 1010021421 /nfs/dbraw/zinc/02/14/21/1010021421.db2.gz ZHDNNXVVXQNDMN-GOSISDBHSA-N 2 1 415.603 3.759 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](C)c3cc(C)sc3C)CC2)cc1 ZINC000544401121 1010021433 /nfs/dbraw/zinc/02/14/33/1010021433.db2.gz ZHDNNXVVXQNDMN-GOSISDBHSA-N 2 1 415.603 3.759 20 0 HHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000520983279 1010023220 /nfs/dbraw/zinc/02/32/20/1010023220.db2.gz GMQWMEILJAHEJM-ZCNNSNEGSA-N 2 1 411.594 3.805 20 0 HHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000520983279 1010023236 /nfs/dbraw/zinc/02/32/36/1010023236.db2.gz GMQWMEILJAHEJM-ZCNNSNEGSA-N 2 1 411.594 3.805 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@H](C[NH+]3CCCC3)c3ccccc3)CC2)cs1 ZINC000520998782 1010036805 /nfs/dbraw/zinc/03/68/05/1010036805.db2.gz IOFLQMVFFVKRMH-JOCHJYFZSA-N 2 1 412.603 3.617 20 0 HHADMP CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000544420412 1010038681 /nfs/dbraw/zinc/03/86/81/1010038681.db2.gz DOHREKQVKVQGQF-BJLQDIEVSA-N 2 1 415.578 3.821 20 0 HHADMP CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000544420412 1010038695 /nfs/dbraw/zinc/03/86/95/1010038695.db2.gz DOHREKQVKVQGQF-BJLQDIEVSA-N 2 1 415.578 3.821 20 0 HHADMP CCOc1ccccc1[C@H](CC)NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544421717 1010042088 /nfs/dbraw/zinc/04/20/88/1010042088.db2.gz OXNNIRRWOYYLHX-IPJJNNNSSA-N 2 1 401.595 3.895 20 0 HHADMP CCOc1ccccc1[C@H](CC)NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544421717 1010042100 /nfs/dbraw/zinc/04/21/00/1010042100.db2.gz OXNNIRRWOYYLHX-IPJJNNNSSA-N 2 1 401.595 3.895 20 0 HHADMP Cc1cc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n(-c2ccccc2F)n1 ZINC000544423531 1010044493 /nfs/dbraw/zinc/04/44/93/1010044493.db2.gz FEHQSSCJJJWFIF-MSOLQXFVSA-N 2 1 413.541 3.501 20 0 HHADMP Cc1cc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n(-c2ccccc2F)n1 ZINC000544423531 1010044510 /nfs/dbraw/zinc/04/45/10/1010044510.db2.gz FEHQSSCJJJWFIF-MSOLQXFVSA-N 2 1 413.541 3.501 20 0 HHADMP c1ccc(C[N@@H+]2CCO[C@H](c3nc(-c4cccc(C[NH+]5CCCC5)c4)no3)C2)cc1 ZINC000544632748 1010255796 /nfs/dbraw/zinc/25/57/96/1010255796.db2.gz APWITPHVYACQMR-QFIPXVFZSA-N 2 1 404.514 3.906 20 0 HHADMP c1ccc(C[N@H+]2CCO[C@H](c3nc(-c4cccc(C[NH+]5CCCC5)c4)no3)C2)cc1 ZINC000544632748 1010255804 /nfs/dbraw/zinc/25/58/04/1010255804.db2.gz APWITPHVYACQMR-QFIPXVFZSA-N 2 1 404.514 3.906 20 0 HHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccccc2C[NH+]2CC[C@H](O)C2)CC1 ZINC000550938248 1010268189 /nfs/dbraw/zinc/26/81/89/1010268189.db2.gz TUGKDMVHCPBJMP-WNMGUVTHSA-N 3 1 407.602 3.786 20 0 HHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000550938248 1010268195 /nfs/dbraw/zinc/26/81/95/1010268195.db2.gz TUGKDMVHCPBJMP-WNMGUVTHSA-N 3 1 407.602 3.786 20 0 HHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000550938248 1010268198 /nfs/dbraw/zinc/26/81/98/1010268198.db2.gz TUGKDMVHCPBJMP-WNMGUVTHSA-N 3 1 407.602 3.786 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000550940745 1010269384 /nfs/dbraw/zinc/26/93/84/1010269384.db2.gz XHDHVLRLMMLFMF-HUUCEWRRSA-N 2 1 415.335 3.844 20 0 HHADMP CC[NH+](CC)[C@H](CNc1cc[nH+]c(N2CCOCC2)n1)c1ccc(C(F)(F)F)cc1 ZINC000544678258 1010293286 /nfs/dbraw/zinc/29/32/86/1010293286.db2.gz PRCXEKMYJIUXSG-GOSISDBHSA-N 2 1 423.483 3.827 20 0 HHADMP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](c2ccc(Br)o2)c2ccc(F)cc2)CC1 ZINC000551007127 1010313207 /nfs/dbraw/zinc/31/32/07/1010313207.db2.gz LPJCNKPOBMUILX-FOIQADDNSA-N 2 1 424.358 3.886 20 0 HHADMP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)C2)c1 ZINC000551063834 1010343727 /nfs/dbraw/zinc/34/37/27/1010343727.db2.gz DQGOZXGTRBWBFP-QVNIBDNGSA-N 2 1 409.574 3.955 20 0 HHADMP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)C2)c1 ZINC000551063834 1010343735 /nfs/dbraw/zinc/34/37/35/1010343735.db2.gz DQGOZXGTRBWBFP-QVNIBDNGSA-N 2 1 409.574 3.955 20 0 HHADMP CCCOc1cc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1OC ZINC000521514346 1010429208 /nfs/dbraw/zinc/42/92/08/1010429208.db2.gz UMBBBRSQZPHJGS-BGYRXZFFSA-N 2 1 420.594 3.574 20 0 HHADMP CCCOc1cc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1OC ZINC000521514346 1010429218 /nfs/dbraw/zinc/42/92/18/1010429218.db2.gz UMBBBRSQZPHJGS-BGYRXZFFSA-N 2 1 420.594 3.574 20 0 HHADMP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc(Br)c1OC(F)F ZINC000551208192 1010440956 /nfs/dbraw/zinc/44/09/56/1010440956.db2.gz HLBHLOLHYZJKTC-LBPRGKRZSA-N 2 1 407.299 3.879 20 0 HHADMP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc(Br)c1OC(F)F ZINC000551208192 1010440962 /nfs/dbraw/zinc/44/09/62/1010440962.db2.gz HLBHLOLHYZJKTC-LBPRGKRZSA-N 2 1 407.299 3.879 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@@H](C(C)(C)C)C(F)(F)F ZINC000547856996 1010453346 /nfs/dbraw/zinc/45/33/46/1010453346.db2.gz ZYIYMBDYAZGUGW-SFHVURJKSA-N 2 1 420.564 3.801 20 0 HHADMP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000521573690 1010472941 /nfs/dbraw/zinc/47/29/41/1010472941.db2.gz DLQBNVRTVZKTRO-NRFANRHFSA-N 2 1 415.528 3.767 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000521686014 1010549795 /nfs/dbraw/zinc/54/97/95/1010549795.db2.gz VGTSZPSLMOSVNJ-AUSIDOKSSA-N 2 1 412.553 3.734 20 0 HHADMP C[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483578 1010641817 /nfs/dbraw/zinc/64/18/17/1010641817.db2.gz NTVDOZVBVNGJNH-NBHGPNQESA-N 2 1 403.364 3.983 20 0 HHADMP C[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483578 1010641820 /nfs/dbraw/zinc/64/18/20/1010641820.db2.gz NTVDOZVBVNGJNH-NBHGPNQESA-N 2 1 403.364 3.983 20 0 HHADMP C[C@H]([NH2+]CCCNc1ccc(C(F)(F)F)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483855 1010642594 /nfs/dbraw/zinc/64/25/94/1010642594.db2.gz JCMXDJYKHRRANC-PKOBYXMFSA-N 2 1 406.496 4.403 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(I)c2)[C@H](C)C1 ZINC000551537452 1010645550 /nfs/dbraw/zinc/64/55/50/1010645550.db2.gz JGJXLFCOZLUTBK-CRAIPNDOSA-N 2 1 416.347 3.518 20 0 HHADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCC[NH+]2Cc2cccc(Cl)c2)C1 ZINC000521875436 1010678979 /nfs/dbraw/zinc/67/89/79/1010678979.db2.gz BOOCRRFIEKHXHC-FPOVZHCZSA-N 2 1 407.002 3.726 20 0 HHADMP CCC[NH+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC000521875436 1010678988 /nfs/dbraw/zinc/67/89/88/1010678988.db2.gz BOOCRRFIEKHXHC-FPOVZHCZSA-N 2 1 407.002 3.726 20 0 HHADMP CCC[NH+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000521875436 1010678997 /nfs/dbraw/zinc/67/89/97/1010678997.db2.gz BOOCRRFIEKHXHC-FPOVZHCZSA-N 2 1 407.002 3.726 20 0 HHADMP C[C@@H]([NH2+]C1(CNC(=O)CC[N@@H+](C)C2CCCCC2)CCOCC1)c1ccccc1 ZINC000548721038 1010713854 /nfs/dbraw/zinc/71/38/54/1010713854.db2.gz UFMYUFJAONRKAK-HXUWFJFHSA-N 2 1 401.595 3.657 20 0 HHADMP COc1ccc(C[C@H](C)C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1F ZINC000545300365 1010720848 /nfs/dbraw/zinc/72/08/48/1010720848.db2.gz FINASHDPYPUSLL-PXNSSMCTSA-N 2 1 405.583 3.653 20 0 HHADMP C(=C/c1ccccc1)\C[NH+]1CCN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551693880 1010744325 /nfs/dbraw/zinc/74/43/25/1010744325.db2.gz ICKCHILGKMCGPJ-GYAQKSNVSA-N 2 1 405.586 3.609 20 0 HHADMP C(=C/c1ccccc1)\C[NH+]1CCN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551693880 1010744327 /nfs/dbraw/zinc/74/43/27/1010744327.db2.gz ICKCHILGKMCGPJ-GYAQKSNVSA-N 2 1 405.586 3.609 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)c1 ZINC000521973355 1010745145 /nfs/dbraw/zinc/74/51/45/1010745145.db2.gz XQOHQTRBWVPVQX-XMMPIXPASA-N 2 1 424.589 3.783 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000522603827 1011106145 /nfs/dbraw/zinc/10/61/45/1011106145.db2.gz CTUJQLQVLOZTSY-RDPSFJRHSA-N 2 1 406.574 3.910 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000522603827 1011106148 /nfs/dbraw/zinc/10/61/48/1011106148.db2.gz CTUJQLQVLOZTSY-RDPSFJRHSA-N 2 1 406.574 3.910 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522763795 1011202721 /nfs/dbraw/zinc/20/27/21/1011202721.db2.gz SYZMLBPWIBBKJS-POAQFYNOSA-N 2 1 424.511 3.624 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522763795 1011202724 /nfs/dbraw/zinc/20/27/24/1011202724.db2.gz SYZMLBPWIBBKJS-POAQFYNOSA-N 2 1 424.511 3.624 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522763795 1011202729 /nfs/dbraw/zinc/20/27/29/1011202729.db2.gz SYZMLBPWIBBKJS-POAQFYNOSA-N 2 1 424.511 3.624 20 0 HHADMP COc1ccc([C@H]([NH2+]CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C2CC2)cc1 ZINC000540589279 1011245390 /nfs/dbraw/zinc/24/53/90/1011245390.db2.gz UKZWCWHEAKABBD-UQBPGWFLSA-N 2 1 407.558 3.641 20 0 HHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](C)c3cc(C)cc(C)c3)CC2)cc1 ZINC000540592800 1011249350 /nfs/dbraw/zinc/24/93/50/1011249350.db2.gz UHPZBEUSBXUJTH-OAQYLSRUSA-N 2 1 409.574 3.697 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](C)c3cc(C)cc(C)c3)CC2)cc1 ZINC000540592800 1011249359 /nfs/dbraw/zinc/24/93/59/1011249359.db2.gz UHPZBEUSBXUJTH-OAQYLSRUSA-N 2 1 409.574 3.697 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3CCC[NH+](Cc4cccnc4)C3)cc2)C1 ZINC000522829280 1011264575 /nfs/dbraw/zinc/26/45/75/1011264575.db2.gz HGJLRLRKLZNVCW-OFVILXPXSA-N 2 1 420.601 3.842 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)cc2)C1 ZINC000522829280 1011264584 /nfs/dbraw/zinc/26/45/84/1011264584.db2.gz HGJLRLRKLZNVCW-OFVILXPXSA-N 2 1 420.601 3.842 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)cc2)C1 ZINC000522829280 1011264599 /nfs/dbraw/zinc/26/45/99/1011264599.db2.gz HGJLRLRKLZNVCW-OFVILXPXSA-N 2 1 420.601 3.842 20 0 HHADMP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000536230703 1011379515 /nfs/dbraw/zinc/37/95/15/1011379515.db2.gz CUWURGLMIKVDJW-OALUTQOASA-N 2 1 414.516 3.738 20 0 HHADMP CCC(CC)(CNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)[NH2+][C@@H](C)c1ccccc1 ZINC000523117903 1011584571 /nfs/dbraw/zinc/58/45/71/1011584571.db2.gz XVJPJVQTLKKVLV-SFHVURJKSA-N 2 1 422.573 3.596 20 0 HHADMP CCC(CC)(CNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)[NH2+][C@@H](C)c1ccccc1 ZINC000523117903 1011584581 /nfs/dbraw/zinc/58/45/81/1011584581.db2.gz XVJPJVQTLKKVLV-SFHVURJKSA-N 2 1 422.573 3.596 20 0 HHADMP CCC(CC)(CNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)[NH2+][C@H](C)c1ccccc1 ZINC000523117902 1011585061 /nfs/dbraw/zinc/58/50/61/1011585061.db2.gz XVJPJVQTLKKVLV-GOSISDBHSA-N 2 1 422.573 3.596 20 0 HHADMP CCC(CC)(CNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)[NH2+][C@H](C)c1ccccc1 ZINC000523117902 1011585073 /nfs/dbraw/zinc/58/50/73/1011585073.db2.gz XVJPJVQTLKKVLV-GOSISDBHSA-N 2 1 422.573 3.596 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)c1ccccc1 ZINC000523132270 1011601393 /nfs/dbraw/zinc/60/13/93/1011601393.db2.gz WTFOIISUHXWVBB-DEOSSOPVSA-N 2 1 408.590 3.639 20 0 HHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000523188839 1011673512 /nfs/dbraw/zinc/67/35/12/1011673512.db2.gz GPWXKISPHUVADR-CEXWTWQISA-N 2 1 406.640 3.626 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cnc([C@H]4CCCO4)s3)CC2)CC1 ZINC000536666318 1011817971 /nfs/dbraw/zinc/81/79/71/1011817971.db2.gz MXIDQXWKFXBEDX-OAQYLSRUSA-N 2 1 406.640 3.623 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccsc1 ZINC000523341093 1011818593 /nfs/dbraw/zinc/81/85/93/1011818593.db2.gz YULBSYQJSVFZHA-PZJWPPBQSA-N 2 1 400.592 3.554 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccsc1 ZINC000523341094 1011818702 /nfs/dbraw/zinc/81/87/02/1011818702.db2.gz YULBSYQJSVFZHA-TZIWHRDSSA-N 2 1 400.592 3.554 20 0 HHADMP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000541207007 1011877032 /nfs/dbraw/zinc/87/70/32/1011877032.db2.gz JQGQOJFUHIZPIL-QGZVFWFLSA-N 2 1 400.567 3.606 20 0 HHADMP CCCN(C(=O)NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000523524389 1012052085 /nfs/dbraw/zinc/05/20/85/1012052085.db2.gz KQWPCTOMECGMRA-XMMPIXPASA-N 2 1 412.622 3.947 20 0 HHADMP CS(=O)(=O)C1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000552062346 1012081890 /nfs/dbraw/zinc/08/18/90/1012081890.db2.gz VCXBAGKTBJZJEB-VXGVFTFCSA-N 2 1 404.620 3.623 20 0 HHADMP CS(=O)(=O)C1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000552062346 1012081909 /nfs/dbraw/zinc/08/19/09/1012081909.db2.gz VCXBAGKTBJZJEB-VXGVFTFCSA-N 2 1 404.620 3.623 20 0 HHADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000536864400 1012099975 /nfs/dbraw/zinc/09/99/75/1012099975.db2.gz RFXKNMIIIALHRO-DENIHFKCSA-N 2 1 421.651 3.850 20 0 HHADMP O=C(c1ccccc1Cl)N1CCC([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CC1 ZINC000536866642 1012103518 /nfs/dbraw/zinc/10/35/18/1012103518.db2.gz ZOTCPBGYOVKVKU-UHFFFAOYSA-N 2 1 419.997 3.569 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)[C@H](C)C1 ZINC000536867055 1012104528 /nfs/dbraw/zinc/10/45/28/1012104528.db2.gz BPSWHGMSGAWXFC-APWZRJJASA-N 2 1 406.958 3.659 20 0 HHADMP Cc1cc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc2cccnc12 ZINC000541388572 1012111148 /nfs/dbraw/zinc/11/11/48/1012111148.db2.gz IYJIXXWCHDOOLV-QHCPKHFHSA-N 2 1 402.542 3.530 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1F ZINC000523616236 1012190580 /nfs/dbraw/zinc/19/05/80/1012190580.db2.gz PATQVVTZVYOJGL-INIZCTEOSA-N 2 1 401.530 3.630 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1F ZINC000523616236 1012190597 /nfs/dbraw/zinc/19/05/97/1012190597.db2.gz PATQVVTZVYOJGL-INIZCTEOSA-N 2 1 401.530 3.630 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000552199274 1012211319 /nfs/dbraw/zinc/21/13/19/1012211319.db2.gz SPMJNPFMVCCZGQ-QFIPXVFZSA-N 2 1 409.549 3.704 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000552199274 1012211332 /nfs/dbraw/zinc/21/13/32/1012211332.db2.gz SPMJNPFMVCCZGQ-QFIPXVFZSA-N 2 1 409.549 3.704 20 0 HHADMP C[N@H+](CCOc1ccc(Cl)cc1)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523635818 1012222572 /nfs/dbraw/zinc/22/25/72/1012222572.db2.gz USJOGGSEDQGSRB-UHFFFAOYSA-N 2 1 415.965 3.563 20 0 HHADMP C[N@@H+](CCOc1ccc(Cl)cc1)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523635818 1012222585 /nfs/dbraw/zinc/22/25/85/1012222585.db2.gz USJOGGSEDQGSRB-UHFFFAOYSA-N 2 1 415.965 3.563 20 0 HHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3c(Cl)ccc4cccnc43)CC2)C[C@@H](C)O1 ZINC000536933486 1012222685 /nfs/dbraw/zinc/22/26/85/1012222685.db2.gz AGHABGFTZNZXKF-QZTJIDSGSA-N 2 1 417.981 3.978 20 0 HHADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000536933513 1012223931 /nfs/dbraw/zinc/22/39/31/1012223931.db2.gz BQGKAVLWIVTKDD-KZNAEPCWSA-N 2 1 412.521 3.939 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000523666453 1012261394 /nfs/dbraw/zinc/26/13/94/1012261394.db2.gz RYDKPVRFQOAKBT-HXUWFJFHSA-N 2 1 400.611 3.982 20 0 HHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)[C@@H]2CCC[C@@H]21 ZINC000552255856 1012265888 /nfs/dbraw/zinc/26/58/88/1012265888.db2.gz XNJDYMKQOJNCCU-HJOGWXRNSA-N 2 1 423.580 3.510 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc(COc3cccc(F)c3)c2)CC1 ZINC000523676334 1012276838 /nfs/dbraw/zinc/27/68/38/1012276838.db2.gz BFWVMNVUFAQQFM-UHFFFAOYSA-N 2 1 420.488 3.804 20 0 HHADMP C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541603024 1012401061 /nfs/dbraw/zinc/40/10/61/1012401061.db2.gz MJYMDSGTXLUURL-DLBZAZTESA-N 2 1 422.411 3.650 20 0 HHADMP C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541603024 1012401070 /nfs/dbraw/zinc/40/10/70/1012401070.db2.gz MJYMDSGTXLUURL-DLBZAZTESA-N 2 1 422.411 3.650 20 0 HHADMP COc1cccc(F)c1[C@@H](C)[NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000537155110 1012550437 /nfs/dbraw/zinc/55/04/37/1012550437.db2.gz VZJMRNRCHYWSOD-QZTJIDSGSA-N 2 1 413.537 3.654 20 0 HHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000523881495 1012582666 /nfs/dbraw/zinc/58/26/66/1012582666.db2.gz XMRXOKIKVMWJEN-GOSISDBHSA-N 2 1 406.640 3.770 20 0 HHADMP C[NH+](C)C1(CN[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)Cc2ccccc2C1 ZINC000537189699 1012601949 /nfs/dbraw/zinc/60/19/49/1012601949.db2.gz ANEYNFXPUMKVHB-QHCPKHFHSA-N 2 1 405.586 3.663 20 0 HHADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc(Cl)ccc3OC(F)F)CC2)CC1 ZINC000541760343 1012621760 /nfs/dbraw/zinc/62/17/60/1012621760.db2.gz HKQLQPVPYJKWDH-UHFFFAOYSA-N 2 1 401.929 3.791 20 0 HHADMP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C12CCCCC2 ZINC000537295625 1012753230 /nfs/dbraw/zinc/75/32/30/1012753230.db2.gz NEYFVWLXEJKDLA-RJGXRXQPSA-N 2 1 413.606 3.601 20 0 HHADMP COc1ccc([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c(Br)c1 ZINC000537303141 1012760622 /nfs/dbraw/zinc/76/06/22/1012760622.db2.gz CUACORFQEVDEPM-AWEZNQCLSA-N 2 1 408.340 3.644 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cc(C(=O)OC)c(C)o2)CC1 ZINC000537306052 1012764007 /nfs/dbraw/zinc/76/40/07/1012764007.db2.gz DSGLFTIOMIBWKY-HNNXBMFYSA-N 2 1 403.498 3.506 20 0 HHADMP COc1cccc(CN(C)C(=O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1OC ZINC000541955793 1012819536 /nfs/dbraw/zinc/81/95/36/1012819536.db2.gz UXFVXSRXPXEYQO-KRWDZBQOSA-N 2 1 422.529 3.507 20 0 HHADMP CC[NH+]1CCN(Cc2ccc(N[C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cc2)CC1 ZINC000537397174 1012880447 /nfs/dbraw/zinc/88/04/47/1012880447.db2.gz RMMJHWSQNKLQDJ-BWKNWUBXSA-N 2 1 407.606 3.542 20 0 HHADMP CCN1CC[NH+](Cc2ccc(N[C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)cc2)CC1 ZINC000537397174 1012880464 /nfs/dbraw/zinc/88/04/64/1012880464.db2.gz RMMJHWSQNKLQDJ-BWKNWUBXSA-N 2 1 407.606 3.542 20 0 HHADMP CCN1CC[NH+](Cc2ccc(N[C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cc2)CC1 ZINC000537397174 1012880485 /nfs/dbraw/zinc/88/04/85/1012880485.db2.gz RMMJHWSQNKLQDJ-BWKNWUBXSA-N 2 1 407.606 3.542 20 0 HHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000552927727 1012926582 /nfs/dbraw/zinc/92/65/82/1012926582.db2.gz BOFTYKMJZVUKRO-MRXNPFEDSA-N 2 1 409.521 3.662 20 0 HHADMP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000729681582 1071798347 /nfs/dbraw/zinc/79/83/47/1071798347.db2.gz GKSARTPDZMVOTI-UHFFFAOYSA-N 2 1 418.029 3.814 20 0 HHADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000729683241 1071799132 /nfs/dbraw/zinc/79/91/32/1071799132.db2.gz ITXNVUITMAJOKU-UHFFFAOYSA-N 2 1 414.981 3.710 20 0 HHADMP CC(C)(C)OC(=O)N1CCC(F)(F)[C@]2(CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001168374168 1072114370 /nfs/dbraw/zinc/11/43/70/1072114370.db2.gz WZXUKBUTYYNJNP-NRFANRHFSA-N 2 1 413.553 3.829 20 0 HHADMP COc1ccc2c(c1)C[C@H]([NH+]1CCC3(CC1)C[N@H+](Cc1cccc(OC)c1)CCO3)C2 ZINC001168274880 1072153312 /nfs/dbraw/zinc/15/33/12/1072153312.db2.gz ZDFGVJNSLVMEKS-HSZRJFAPSA-N 2 1 422.569 3.538 20 0 HHADMP COc1ccc2c(c1)C[C@H]([NH+]1CCC3(CC1)C[N@@H+](Cc1cccc(OC)c1)CCO3)C2 ZINC001168274880 1072153316 /nfs/dbraw/zinc/15/33/16/1072153316.db2.gz ZDFGVJNSLVMEKS-HSZRJFAPSA-N 2 1 422.569 3.538 20 0 HHADMP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000611963298 1072176682 /nfs/dbraw/zinc/17/66/82/1072176682.db2.gz KZZTUTXDCRCKTQ-PZJWPPBQSA-N 2 1 423.557 3.692 20 0 HHADMP O=C(c1cccs1)N1CCC2(CC1)CC[NH+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168377916 1072531828 /nfs/dbraw/zinc/53/18/28/1072531828.db2.gz NUGAYXCCCWRJDT-UHFFFAOYSA-N 2 1 401.620 3.941 20 0 HHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc(F)c(Br)c2F)no1 ZINC001212145410 1072548327 /nfs/dbraw/zinc/54/83/27/1072548327.db2.gz SWQBLLYNINJVSK-LBPRGKRZSA-N 2 1 403.271 3.945 20 0 HHADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCc4ccccc4[C@H]3Cc3ccccc3)cn2)CC1 ZINC000538793315 1072677099 /nfs/dbraw/zinc/67/70/99/1072677099.db2.gz BRRDNXUYNIBHPC-RUZDIDTESA-N 2 1 413.569 3.571 20 0 HHADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCc4ccccc4[C@H]3Cc3ccccc3)cn2)CC1 ZINC000538793315 1072677104 /nfs/dbraw/zinc/67/71/04/1072677104.db2.gz BRRDNXUYNIBHPC-RUZDIDTESA-N 2 1 413.569 3.571 20 0 HHADMP CC[C@@H](C(=O)N1CCC([NH+]2CCc3ccccc3C2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000571604972 1072678294 /nfs/dbraw/zinc/67/82/94/1072678294.db2.gz RQVFAYUICZUEKD-VWLOTQADSA-N 2 1 405.586 3.946 20 0 HHADMP CC[C@@H](C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)[NH+](C)Cc1ccccc1 ZINC000571604972 1072678300 /nfs/dbraw/zinc/67/83/00/1072678300.db2.gz RQVFAYUICZUEKD-VWLOTQADSA-N 2 1 405.586 3.946 20 0 HHADMP CC[C@@H](C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)[NH+](C)Cc1ccccc1 ZINC000571604972 1072678305 /nfs/dbraw/zinc/67/83/05/1072678305.db2.gz RQVFAYUICZUEKD-VWLOTQADSA-N 2 1 405.586 3.946 20 0 HHADMP CC(C)[N@@H+](C)CC(=O)N1CCC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001142586888 1072880822 /nfs/dbraw/zinc/88/08/22/1072880822.db2.gz RCHGEAABLQGHLU-UHFFFAOYSA-N 2 1 423.601 3.667 20 0 HHADMP CC(C)[NH+](C)CC(=O)N1CCC[N@H+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001142586888 1072880847 /nfs/dbraw/zinc/88/08/47/1072880847.db2.gz RCHGEAABLQGHLU-UHFFFAOYSA-N 2 1 423.601 3.667 20 0 HHADMP C[C@H](CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC000555074531 1073135712 /nfs/dbraw/zinc/13/57/12/1073135712.db2.gz BETBPGDWHCRCOP-BEFAXECRSA-N 2 1 421.010 3.750 20 0 HHADMP C[C@H](CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC000555074531 1073135714 /nfs/dbraw/zinc/13/57/14/1073135714.db2.gz BETBPGDWHCRCOP-BEFAXECRSA-N 2 1 421.010 3.750 20 0 HHADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000588709475 1073155928 /nfs/dbraw/zinc/15/59/28/1073155928.db2.gz BWSJPLRUVIIJJR-BQFCYCMXSA-N 2 1 407.986 3.797 20 0 HHADMP C[NH+](C)C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000555186284 1073248565 /nfs/dbraw/zinc/24/85/65/1073248565.db2.gz QYIZFSGIWNGPDL-ACRUOGEOSA-N 2 1 400.954 3.687 20 0 HHADMP C[NH+](C)C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000555186285 1073248657 /nfs/dbraw/zinc/24/86/57/1073248657.db2.gz QYIZFSGIWNGPDL-HKBOAZHASA-N 2 1 400.954 3.687 20 0 HHADMP C[NH+](C)Cc1cccc(C(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)c1 ZINC000572450135 1073290520 /nfs/dbraw/zinc/29/05/20/1073290520.db2.gz SYEKNAPHDBGWTQ-UHFFFAOYSA-N 2 1 418.541 3.798 20 0 HHADMP C[NH+]1CCN([C@@H](C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c2ccccc2)CC1 ZINC000589995376 1073435904 /nfs/dbraw/zinc/43/59/04/1073435904.db2.gz QHBKIESRIJYUCK-XMMPIXPASA-N 2 1 406.574 3.600 20 0 HHADMP CC(=O)Nc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000555612481 1073674265 /nfs/dbraw/zinc/67/42/65/1073674265.db2.gz OJPYOBPRUOHDIZ-HSZRJFAPSA-N 2 1 407.558 3.663 20 0 HHADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000590611487 1073939440 /nfs/dbraw/zinc/93/94/40/1073939440.db2.gz KLLRICMPNGQBCF-VWLOTQADSA-N 2 1 418.585 3.722 20 0 HHADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000590611487 1073939441 /nfs/dbraw/zinc/93/94/41/1073939441.db2.gz KLLRICMPNGQBCF-VWLOTQADSA-N 2 1 418.585 3.722 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000591092152 1074107598 /nfs/dbraw/zinc/10/75/98/1074107598.db2.gz HMXSHCSLIGSPKC-OFNKIYASSA-N 2 1 409.574 3.973 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccccc2OCC[NH+]2CCCC[C@H]2C)C1 ZINC000591100111 1074115890 /nfs/dbraw/zinc/11/58/90/1074115890.db2.gz LNTQWJJCZPMSAL-NHCUHLMSSA-N 2 1 401.595 3.790 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000591100111 1074115892 /nfs/dbraw/zinc/11/58/92/1074115892.db2.gz LNTQWJJCZPMSAL-NHCUHLMSSA-N 2 1 401.595 3.790 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)C1 ZINC000591100111 1074115895 /nfs/dbraw/zinc/11/58/95/1074115895.db2.gz LNTQWJJCZPMSAL-NHCUHLMSSA-N 2 1 401.595 3.790 20 0 HHADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000760889085 1074522836 /nfs/dbraw/zinc/52/28/36/1074522836.db2.gz YCZHVHCDJYOFGV-YADHBBJMSA-N 2 1 414.981 3.988 20 0 HHADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000760889085 1074522841 /nfs/dbraw/zinc/52/28/41/1074522841.db2.gz YCZHVHCDJYOFGV-YADHBBJMSA-N 2 1 414.981 3.988 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000591813537 1074591183 /nfs/dbraw/zinc/59/11/83/1074591183.db2.gz IYTMBACSEUMXRU-PXDATVDWSA-N 2 1 421.585 3.619 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000591813537 1074591192 /nfs/dbraw/zinc/59/11/92/1074591192.db2.gz IYTMBACSEUMXRU-PXDATVDWSA-N 2 1 421.585 3.619 20 0 HHADMP Cc1cc(CNC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)cc(N2CCCC2)[nH+]1 ZINC000574448229 1075257050 /nfs/dbraw/zinc/25/70/50/1075257050.db2.gz ZIIDBXFHAQWOAJ-HXUWFJFHSA-N 2 1 409.578 3.700 20 0 HHADMP Cc1cc(CNC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc(N2CCCC2)[nH+]1 ZINC000574448229 1075257053 /nfs/dbraw/zinc/25/70/53/1075257053.db2.gz ZIIDBXFHAQWOAJ-HXUWFJFHSA-N 2 1 409.578 3.700 20 0 HHADMP CC[NH+](CC)Cc1ccc(C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)o1 ZINC000595298413 1075421845 /nfs/dbraw/zinc/42/18/45/1075421845.db2.gz GDDQMIYGKWVPLF-UHFFFAOYSA-N 2 1 405.583 3.665 20 0 HHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cnc4c(C)cccn34)CC2)c1C ZINC000574944315 1075441926 /nfs/dbraw/zinc/44/19/26/1075441926.db2.gz LAMNPAUKKJYYFR-UHFFFAOYSA-N 2 1 407.562 3.760 20 0 HHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cnc4c(C)cccn34)CC2)c1C ZINC000574944315 1075441929 /nfs/dbraw/zinc/44/19/29/1075441929.db2.gz LAMNPAUKKJYYFR-UHFFFAOYSA-N 2 1 407.562 3.760 20 0 HHADMP CC[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000596418424 1075559240 /nfs/dbraw/zinc/55/92/40/1075559240.db2.gz VACGNBRTIZOQLM-UHFFFAOYSA-N 2 1 413.393 3.741 20 0 HHADMP [NH3+][C@@]12C[C@@H]1CN(c1nc(C[NH+]3CCCCC3)nc3scc(-c4cccs4)c31)C2 ZINC001164418438 718888282 /nfs/dbraw/zinc/88/82/82/718888282.db2.gz NFGYQGBJAWHZKD-SPLOXXLWSA-N 2 1 411.600 3.943 20 0 HHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4[NH2+]Cc5ccccc5[C@H]4C3)c2c1C ZINC001164425498 718945001 /nfs/dbraw/zinc/94/50/01/718945001.db2.gz VQACKSHYRDSZEF-UXHICEINSA-N 2 1 419.598 3.980 20 0 HHADMP CCOC(=O)c1c[nH]c2cc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)[nH+]cc21 ZINC001164627896 719093803 /nfs/dbraw/zinc/09/38/03/719093803.db2.gz LBNJRFUPDZCPOA-GCJKJVERSA-N 2 1 404.514 3.840 20 0 HHADMP CCOC(=O)c1c[nH]c2cc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)[nH+]cc21 ZINC001164627896 719093808 /nfs/dbraw/zinc/09/38/08/719093808.db2.gz LBNJRFUPDZCPOA-GCJKJVERSA-N 2 1 404.514 3.840 20 0 HHADMP CCOC(=O)c1c[nH]c2cc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)[nH+]cc21 ZINC001164627893 719094711 /nfs/dbraw/zinc/09/47/11/719094711.db2.gz LBNJRFUPDZCPOA-AVRDEDQJSA-N 2 1 404.514 3.840 20 0 HHADMP CCOC(=O)c1c[nH]c2cc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)[nH+]cc21 ZINC001164627893 719094716 /nfs/dbraw/zinc/09/47/16/719094716.db2.gz LBNJRFUPDZCPOA-AVRDEDQJSA-N 2 1 404.514 3.840 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCN(c4ccc(OCC5CC[NH2+]CC5)cn4)[C@@H]3C2)cc1 ZINC001164621617 719111766 /nfs/dbraw/zinc/11/17/66/719111766.db2.gz AIGUNJJEMLFYBB-LADGPHEKSA-N 2 1 406.574 3.561 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)nc3ccc(Cl)cc32)c2c1CC[NH2+]C2 ZINC001164682274 719602393 /nfs/dbraw/zinc/60/23/93/719602393.db2.gz BUYVERQGMLKMIJ-UHFFFAOYSA-N 2 1 405.333 3.608 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)nc3ccc(Cl)cc32)c2c1CC[NH2+]C2 ZINC001164682274 719602401 /nfs/dbraw/zinc/60/24/01/719602401.db2.gz BUYVERQGMLKMIJ-UHFFFAOYSA-N 2 1 405.333 3.608 20 0 HHADMP Cc1nc2sc3c(c2c(-n2nc(C[N@@H+](C)C(C)C)c4c2C[NH2+]CC4)n1)CCCC3 ZINC001164679539 719635434 /nfs/dbraw/zinc/63/54/34/719635434.db2.gz FWWTWDGHRUBZSV-UHFFFAOYSA-N 2 1 410.591 3.550 20 0 HHADMP Cc1nc2sc3c(c2c(-n2nc(C[N@H+](C)C(C)C)c4c2C[NH2+]CC4)n1)CCCC3 ZINC001164679539 719635443 /nfs/dbraw/zinc/63/54/43/719635443.db2.gz FWWTWDGHRUBZSV-UHFFFAOYSA-N 2 1 410.591 3.550 20 0 HHADMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(N3CCCCC3)cc[nH+]1)CC2 ZINC001164844782 720701007 /nfs/dbraw/zinc/70/10/07/720701007.db2.gz USKZGKWIGUAIDN-QFIPXVFZSA-N 2 1 421.589 3.727 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(N3CCCCC3)cc[nH+]1)CC2 ZINC001164844782 720701021 /nfs/dbraw/zinc/70/10/21/720701021.db2.gz USKZGKWIGUAIDN-QFIPXVFZSA-N 2 1 421.589 3.727 20 0 HHADMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(N3CCCCC3)cc[nH+]1)CC2 ZINC001164844779 720702093 /nfs/dbraw/zinc/70/20/93/720702093.db2.gz USKZGKWIGUAIDN-JOCHJYFZSA-N 2 1 421.589 3.727 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(N3CCCCC3)cc[nH+]1)CC2 ZINC001164844779 720702096 /nfs/dbraw/zinc/70/20/96/720702096.db2.gz USKZGKWIGUAIDN-JOCHJYFZSA-N 2 1 421.589 3.727 20 0 HHADMP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3c([nH+]1)CCCC3)CC2 ZINC001164787861 721457860 /nfs/dbraw/zinc/45/78/60/721457860.db2.gz SRELIUPOUHPEER-JOCHJYFZSA-N 2 1 413.606 3.694 20 0 HHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3c([nH+]1)CCCC3)CC2 ZINC001164787861 721457861 /nfs/dbraw/zinc/45/78/61/721457861.db2.gz SRELIUPOUHPEER-JOCHJYFZSA-N 2 1 413.606 3.694 20 0 HHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc[nH+]c(N4CCCCC4)n3)C[C@H]21 ZINC001165026368 721823137 /nfs/dbraw/zinc/82/31/37/721823137.db2.gz PDLHENSVVKKMAD-KSEOMHKRSA-N 2 1 406.578 3.599 20 0 HHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc[nH+]c(N4CCCCC4)n3)C[C@H]21 ZINC001165026368 721823139 /nfs/dbraw/zinc/82/31/39/721823139.db2.gz PDLHENSVVKKMAD-KSEOMHKRSA-N 2 1 406.578 3.599 20 0 HHADMP Cc1cc(NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c2cc(F)ccc2[nH+]1 ZINC000301659388 971017870 /nfs/dbraw/zinc/01/78/70/971017870.db2.gz IULRLBWOYGHWFB-IBGZPJMESA-N 2 1 406.505 3.992 20 0 HHADMP Cc1ccccc1C[NH+]1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000302903915 971383885 /nfs/dbraw/zinc/38/38/85/971383885.db2.gz VVNVZJXKIVXYJA-OAQYLSRUSA-N 2 1 412.603 3.721 20 0 HHADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000303108490 971508141 /nfs/dbraw/zinc/50/81/41/971508141.db2.gz JUJMRWNNUAXHES-NRFANRHFSA-N 2 1 411.512 3.820 20 0 HHADMP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)C1 ZINC000303238770 971574426 /nfs/dbraw/zinc/57/44/26/971574426.db2.gz ICMXIOOWSSBVSR-RTWAWAEBSA-N 2 1 412.603 3.583 20 0 HHADMP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)C1 ZINC000303238770 971574432 /nfs/dbraw/zinc/57/44/32/971574432.db2.gz ICMXIOOWSSBVSR-RTWAWAEBSA-N 2 1 412.603 3.583 20 0 HHADMP CC1(C)CN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000303238565 971574546 /nfs/dbraw/zinc/57/45/46/971574546.db2.gz HUQNNSMAPFRYLK-OAQYLSRUSA-N 2 1 410.562 3.723 20 0 HHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000303293124 971605277 /nfs/dbraw/zinc/60/52/77/971605277.db2.gz MXYUBCOYWJLGRL-PMACEKPBSA-N 2 1 404.624 3.620 20 0 HHADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCc1ccccc1Oc1ccccc1 ZINC000303301312 971612203 /nfs/dbraw/zinc/61/22/03/971612203.db2.gz YYABGMWPRANJHB-UHFFFAOYSA-N 2 1 410.562 3.646 20 0 HHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000303479927 971779798 /nfs/dbraw/zinc/77/97/98/971779798.db2.gz PQJDXVHELGOGKN-ZSJMHYJMSA-N 2 1 412.622 3.992 20 0 HHADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000303479927 971779804 /nfs/dbraw/zinc/77/98/04/971779804.db2.gz PQJDXVHELGOGKN-ZSJMHYJMSA-N 2 1 412.622 3.992 20 0 HHADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000303479927 971779807 /nfs/dbraw/zinc/77/98/07/971779807.db2.gz PQJDXVHELGOGKN-ZSJMHYJMSA-N 2 1 412.622 3.992 20 0 HHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2cc(C)nn2-c2ccccc2F)CC1 ZINC000303536385 971837132 /nfs/dbraw/zinc/83/71/32/971837132.db2.gz GYSQCYTXFZXIQC-UHFFFAOYSA-N 2 1 415.557 3.702 20 0 HHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2cc(C)nn2-c2ccccc2F)CC1 ZINC000303536385 971837135 /nfs/dbraw/zinc/83/71/35/971837135.db2.gz GYSQCYTXFZXIQC-UHFFFAOYSA-N 2 1 415.557 3.702 20 0 HHADMP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CCc2ccccc2C1 ZINC000303588175 971880701 /nfs/dbraw/zinc/88/07/01/971880701.db2.gz RCQULTZANLUMHN-HSZRJFAPSA-N 2 1 409.599 3.663 20 0 HHADMP CCOc1ccc(OC[C@H](O)C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000303737389 971991033 /nfs/dbraw/zinc/99/10/33/971991033.db2.gz HCRWAXQDNISFCL-MDNUFGMLSA-N 2 1 412.574 3.810 20 0 HHADMP CCOc1ccc(OC[C@H](O)C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000303737389 971991040 /nfs/dbraw/zinc/99/10/40/971991040.db2.gz HCRWAXQDNISFCL-MDNUFGMLSA-N 2 1 412.574 3.810 20 0 HHADMP CCOc1ccc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000303737389 971991046 /nfs/dbraw/zinc/99/10/46/971991046.db2.gz HCRWAXQDNISFCL-MDNUFGMLSA-N 2 1 412.574 3.810 20 0 HHADMP CCOc1ccc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000303737389 971991053 /nfs/dbraw/zinc/99/10/53/971991053.db2.gz HCRWAXQDNISFCL-MDNUFGMLSA-N 2 1 412.574 3.810 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000303755622 972007117 /nfs/dbraw/zinc/00/71/17/972007117.db2.gz GLENGYFDENGLIX-JOCHJYFZSA-N 2 1 420.601 3.875 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000303755622 972007119 /nfs/dbraw/zinc/00/71/19/972007119.db2.gz GLENGYFDENGLIX-JOCHJYFZSA-N 2 1 420.601 3.875 20 0 HHADMP C[C@H]1C[C@@H]([NH+](C)CCCN2C(=O)c3ccccc3C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000303881734 972422833 /nfs/dbraw/zinc/42/28/33/972422833.db2.gz RCXXRYYYTNPFJD-FPOVZHCZSA-N 2 1 405.542 3.658 20 0 HHADMP C[C@H]1C[C@@H]([NH+](C)CCCN2C(=O)c3ccccc3C2=O)CC[N@H+]1Cc1ccccc1 ZINC000303881734 972422836 /nfs/dbraw/zinc/42/28/36/972422836.db2.gz RCXXRYYYTNPFJD-FPOVZHCZSA-N 2 1 405.542 3.658 20 0 HHADMP C[C@H]1C[C@@H]([N@H+](C)CCCN2C(=O)c3ccccc3C2=O)CC[NH+]1Cc1ccccc1 ZINC000303881734 972422842 /nfs/dbraw/zinc/42/28/42/972422842.db2.gz RCXXRYYYTNPFJD-FPOVZHCZSA-N 2 1 405.542 3.658 20 0 HHADMP C[C@H]1C[C@@H]([N@@H+](C)CCCN2C(=O)c3ccccc3C2=O)CC[NH+]1Cc1ccccc1 ZINC000303881734 972422849 /nfs/dbraw/zinc/42/28/49/972422849.db2.gz RCXXRYYYTNPFJD-FPOVZHCZSA-N 2 1 405.542 3.658 20 0 HHADMP Cc1nn2c(C[NH+]3CCC(CC[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)c(C(C)C)nc2s1 ZINC000537658839 1013218856 /nfs/dbraw/zinc/21/88/56/1013218856.db2.gz BJODGVNQMCUBOR-IAGOWNOFSA-N 2 1 419.639 3.934 20 0 HHADMP COc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1OCCC(C)C ZINC000537661956 1013223139 /nfs/dbraw/zinc/22/31/39/1013223139.db2.gz XXYGGYWUZGWGQE-QFIPXVFZSA-N 2 1 403.611 3.720 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000537733265 1013294365 /nfs/dbraw/zinc/29/43/65/1013294365.db2.gz KPNKXXZAZMVEEB-CJFMBICVSA-N 2 1 421.585 3.526 20 0 HHADMP CCCCO[C@@H]1C[C@@H](N(C)C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C1(C)C ZINC000553497011 1013398397 /nfs/dbraw/zinc/39/83/97/1013398397.db2.gz JWGASAKRVAGNDB-FGZHOGPDSA-N 2 1 407.643 3.625 20 0 HHADMP Fc1ccc([C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c2cnccn2)cc1 ZINC000542473524 1013420839 /nfs/dbraw/zinc/42/08/39/1013420839.db2.gz KUZBGBOKYUVJJX-VWLOTQADSA-N 2 1 419.548 3.897 20 0 HHADMP C[C@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542532838 1013477365 /nfs/dbraw/zinc/47/73/65/1013477365.db2.gz SVROODGZMHGVKV-TXPKVOOTSA-N 2 1 400.485 3.688 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)cc2)C[C@@H](C)O1 ZINC000025126167 964186370 /nfs/dbraw/zinc/18/63/70/964186370.db2.gz WLGUEVVAZSMJDE-NHCUHLMSSA-N 2 1 421.585 3.822 20 0 HHADMP C[C@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542532821 1013477323 /nfs/dbraw/zinc/47/73/23/1013477323.db2.gz SVROODGZMHGVKV-FCEWJHQRSA-N 2 1 400.485 3.688 20 0 HHADMP C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)CC(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542534440 1013479051 /nfs/dbraw/zinc/47/90/51/1013479051.db2.gz ZXNRDLASFZPDMX-IEBWSBKVSA-N 2 1 411.512 3.820 20 0 HHADMP C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)CC(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542534440 1013479056 /nfs/dbraw/zinc/47/90/56/1013479056.db2.gz ZXNRDLASFZPDMX-IEBWSBKVSA-N 2 1 411.512 3.820 20 0 HHADMP CCOc1cc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc(Cl)c1OC ZINC000025362135 964252135 /nfs/dbraw/zinc/25/21/35/964252135.db2.gz LLSBQCYGMULKCA-GOSISDBHSA-N 2 1 424.010 3.887 20 0 HHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](C)[C@H](C)c3ccccc3)CC2)cc1 ZINC000542543085 1013487966 /nfs/dbraw/zinc/48/79/66/1013487966.db2.gz COHKOBFDASSFSM-SFTDATJTSA-N 2 1 409.574 3.511 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](C)[C@H](C)c3ccccc3)CC2)cc1 ZINC000542543085 1013487973 /nfs/dbraw/zinc/48/79/73/1013487973.db2.gz COHKOBFDASSFSM-SFTDATJTSA-N 2 1 409.574 3.511 20 0 HHADMP C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000542593203 1013533241 /nfs/dbraw/zinc/53/32/41/1013533241.db2.gz OSZPLRWHCHFFPF-KRWDZBQOSA-N 2 1 417.985 3.801 20 0 HHADMP COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1OC ZINC000052713744 964960254 /nfs/dbraw/zinc/96/02/54/964960254.db2.gz SSIIUWOGHWZNDQ-GOSISDBHSA-N 2 1 403.567 3.619 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCN(c3nc4ccccc4s3)CC2)[C@@H](C)C1 ZINC000537959020 1013538960 /nfs/dbraw/zinc/53/89/60/1013538960.db2.gz QYSMMJVAEBNPMH-ICSRJNTNSA-N 2 1 416.635 3.992 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000053749781 965264051 /nfs/dbraw/zinc/26/40/51/965264051.db2.gz KQWAEZXJAJBJOB-YKSBVNFPSA-N 2 1 406.574 3.786 20 0 HHADMP CN(CCC[N@H+](C)Cc1ccco1)C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000553703135 1013558627 /nfs/dbraw/zinc/55/86/27/1013558627.db2.gz YVMUMVACJWONRO-SFTDATJTSA-N 2 1 418.969 3.842 20 0 HHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000553703135 1013558633 /nfs/dbraw/zinc/55/86/33/1013558633.db2.gz YVMUMVACJWONRO-SFTDATJTSA-N 2 1 418.969 3.842 20 0 HHADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000553703135 1013558640 /nfs/dbraw/zinc/55/86/40/1013558640.db2.gz YVMUMVACJWONRO-SFTDATJTSA-N 2 1 418.969 3.842 20 0 HHADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000553703135 1013558647 /nfs/dbraw/zinc/55/86/47/1013558647.db2.gz YVMUMVACJWONRO-SFTDATJTSA-N 2 1 418.969 3.842 20 0 HHADMP CC[N@@H+](CCC1CCN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)CC1)CC(C)C ZINC000538034616 1013606949 /nfs/dbraw/zinc/60/69/49/1013606949.db2.gz JSWUTWLKCAZROQ-XMMPIXPASA-N 2 1 414.638 3.900 20 0 HHADMP CC[NH+](CCC1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1)CC(C)C ZINC000538034616 1013606953 /nfs/dbraw/zinc/60/69/53/1013606953.db2.gz JSWUTWLKCAZROQ-XMMPIXPASA-N 2 1 414.638 3.900 20 0 HHADMP CC[NH+](CCC1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1)CC(C)C ZINC000538034616 1013606957 /nfs/dbraw/zinc/60/69/57/1013606957.db2.gz JSWUTWLKCAZROQ-XMMPIXPASA-N 2 1 414.638 3.900 20 0 HHADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000060335599 966095540 /nfs/dbraw/zinc/09/55/40/966095540.db2.gz VXHGAWBVIFUHLK-VWLOTQADSA-N 2 1 420.601 3.817 20 0 HHADMP COc1ccc([C@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C2CC2)cc1 ZINC000538060262 1013636734 /nfs/dbraw/zinc/63/67/34/1013636734.db2.gz XJYWAFZQLHCFQY-RUZDIDTESA-N 2 1 423.557 3.597 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C1 ZINC000060978726 966342198 /nfs/dbraw/zinc/34/21/98/966342198.db2.gz CVRFVWCXMGTYMM-KDURUIRLSA-N 2 1 412.578 3.706 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C1 ZINC000060978726 966342209 /nfs/dbraw/zinc/34/22/09/966342209.db2.gz CVRFVWCXMGTYMM-KDURUIRLSA-N 2 1 412.578 3.706 20 0 HHADMP C[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000061070968 966364671 /nfs/dbraw/zinc/36/46/71/966364671.db2.gz AIBPLBJVIABBPN-UGKGYDQZSA-N 2 1 410.562 3.553 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000061868927 966568648 /nfs/dbraw/zinc/56/86/48/966568648.db2.gz KATWBKGKPNKVER-UHFFFAOYSA-N 2 1 418.651 3.688 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)NCCC[N@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000061941606 966583762 /nfs/dbraw/zinc/58/37/62/966583762.db2.gz NKHUYYFPWGXNLS-QFIPXVFZSA-N 2 1 414.619 3.879 20 0 HHADMP CN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000542754942 1013661866 /nfs/dbraw/zinc/66/18/66/1013661866.db2.gz IXIYLYACTNMSOA-PKOBYXMFSA-N 2 1 414.516 3.681 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000062484623 966688185 /nfs/dbraw/zinc/68/81/85/966688185.db2.gz CBMZZYZLVNXIFR-UHFFFAOYSA-N 2 1 414.569 3.939 20 0 HHADMP COc1ccc([C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C(C)C)cc1 ZINC000538100477 1013669738 /nfs/dbraw/zinc/66/97/38/1013669738.db2.gz FQFYYDCYQOXPQB-ISKFKSNPSA-N 2 1 409.574 3.879 20 0 HHADMP C[C@H]1CCC[C@@](CNC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)([NH+](C)C)C1 ZINC000062647291 966721027 /nfs/dbraw/zinc/72/10/27/966721027.db2.gz WJOUFDGWZSSENS-GAJHUEQPSA-N 2 1 422.564 3.739 20 0 HHADMP COC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(C(F)(F)F)c1 ZINC000542847357 1013706336 /nfs/dbraw/zinc/70/63/36/1013706336.db2.gz QBNGGGUCTDDRQI-LEWJYISDSA-N 2 1 408.464 3.749 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCOc4cc(F)ccc43)c2)C1 ZINC000542844329 1013704167 /nfs/dbraw/zinc/70/41/67/1013704167.db2.gz RIBXIMPOQWCISN-SIKLNZKXSA-N 2 1 411.521 3.527 20 0 HHADMP C[N@@H+](CCCNC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)Cc1ccccc1 ZINC000064643947 967256471 /nfs/dbraw/zinc/25/64/71/967256471.db2.gz DIYDTABDAILENZ-OAQYLSRUSA-N 2 1 414.619 3.781 20 0 HHADMP C[NH+](CCCNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)Cc1ccccc1 ZINC000064643947 967256488 /nfs/dbraw/zinc/25/64/88/967256488.db2.gz DIYDTABDAILENZ-OAQYLSRUSA-N 2 1 414.619 3.781 20 0 HHADMP C[NH+](CCCNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)Cc1ccccc1 ZINC000064643947 967256496 /nfs/dbraw/zinc/25/64/96/967256496.db2.gz DIYDTABDAILENZ-OAQYLSRUSA-N 2 1 414.619 3.781 20 0 HHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCc3c2cc(Br)cc3F)C1 ZINC000542850559 1013709460 /nfs/dbraw/zinc/70/94/60/1013709460.db2.gz YXNMFGGSOLTCPQ-UTKZUKDTSA-N 2 1 419.338 3.932 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)cc2)C1 ZINC000065057498 967359357 /nfs/dbraw/zinc/35/93/57/967359357.db2.gz LUQLKOYGPDRKEI-OAQYLSRUSA-N 2 1 420.601 3.918 20 0 HHADMP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(C[NH+]4CCN(C)CC4)cc3)cc2)C1 ZINC000065057498 967359385 /nfs/dbraw/zinc/35/93/85/967359385.db2.gz LUQLKOYGPDRKEI-OAQYLSRUSA-N 2 1 420.601 3.918 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(C[NH+]4CCN(C)CC4)cc3)cc2)C1 ZINC000065057498 967359393 /nfs/dbraw/zinc/35/93/93/967359393.db2.gz LUQLKOYGPDRKEI-OAQYLSRUSA-N 2 1 420.601 3.918 20 0 HHADMP COc1ccc(F)cc1[C@H](C)[NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000538168003 1013728643 /nfs/dbraw/zinc/72/86/43/1013728643.db2.gz HTKKPMGZLIRRDU-IBGZPJMESA-N 2 1 413.537 3.528 20 0 HHADMP COc1ccc(F)cc1[C@H](C)[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000538168003 1013728650 /nfs/dbraw/zinc/72/86/50/1013728650.db2.gz HTKKPMGZLIRRDU-IBGZPJMESA-N 2 1 413.537 3.528 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@H](C)[N@H+]3CCCC[C@@H]3C)c(C)c2)CC1 ZINC000045976256 967613994 /nfs/dbraw/zinc/61/39/94/967613994.db2.gz IXWMNEPHKNVPJP-PMACEKPBSA-N 2 1 401.599 3.521 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCC([NH+]4CCCC4)CC3)cc2)C1 ZINC000046123481 967668509 /nfs/dbraw/zinc/66/85/09/967668509.db2.gz LQMOTLKQYYBPGX-OYRHEFFESA-N 2 1 412.622 3.934 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ncc(C)c(OC)c2C)CC1 ZINC000538210020 1013763828 /nfs/dbraw/zinc/76/38/28/1013763828.db2.gz ARKQEJNNVJSIBC-GOSISDBHSA-N 2 1 400.542 3.839 20 0 HHADMP CC(C)[NH+]1CCC(NC(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000047884138 968351257 /nfs/dbraw/zinc/35/12/57/968351257.db2.gz LTKKDDRAYQVKKH-BGYRXZFFSA-N 2 1 400.611 3.837 20 0 HHADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000554099607 1013797019 /nfs/dbraw/zinc/79/70/19/1013797019.db2.gz NUDFMWZZZACRDT-INIZCTEOSA-N 2 1 419.791 3.648 20 0 HHADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)NCc1ccccc1C[NH+]1CCCC1 ZINC000048220332 968489946 /nfs/dbraw/zinc/48/99/46/968489946.db2.gz ARQDOZRCBXHLTH-UHFFFAOYSA-N 2 1 406.574 3.530 20 0 HHADMP CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)ccc1F ZINC000538261839 1013804050 /nfs/dbraw/zinc/80/40/50/1013804050.db2.gz XMCHWYSMZIYKMR-PERKRYKHSA-N 2 1 401.501 3.785 20 0 HHADMP CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1F ZINC000538261839 1013804055 /nfs/dbraw/zinc/80/40/55/1013804055.db2.gz XMCHWYSMZIYKMR-PERKRYKHSA-N 2 1 401.501 3.785 20 0 HHADMP C[NH+](C)CCOc1cccc(CN[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c1 ZINC000538274564 1013814003 /nfs/dbraw/zinc/81/40/03/1013814003.db2.gz BSDCKMPUQDDACK-QHCPKHFHSA-N 2 1 409.574 3.705 20 0 HHADMP O=C(COc1ccccc1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1)N1CCCC1 ZINC000065982062 968749428 /nfs/dbraw/zinc/74/94/28/968749428.db2.gz NDSDUUHPYQCXOK-UHFFFAOYSA-N 2 1 413.606 3.822 20 0 HHADMP COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)CC2)cc1 ZINC000072046760 968957402 /nfs/dbraw/zinc/95/74/02/968957402.db2.gz SRTGHICHVMGTLM-VWLOTQADSA-N 2 1 421.585 3.688 20 0 HHADMP O=C(NC[C@@H]1CC[NH+](CCc2ccccc2)C1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000097549222 969158053 /nfs/dbraw/zinc/15/80/53/969158053.db2.gz DKMDRTAYYQDUGH-BJKOFHAPSA-N 2 1 423.576 3.719 20 0 HHADMP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000097549222 969158058 /nfs/dbraw/zinc/15/80/58/969158058.db2.gz DKMDRTAYYQDUGH-BJKOFHAPSA-N 2 1 423.576 3.719 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000097549222 969158060 /nfs/dbraw/zinc/15/80/60/969158060.db2.gz DKMDRTAYYQDUGH-BJKOFHAPSA-N 2 1 423.576 3.719 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000109015969 969449839 /nfs/dbraw/zinc/44/98/39/969449839.db2.gz NNKBPNGIGDJTSU-LADGPHEKSA-N 2 1 409.549 3.991 20 0 HHADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000110434166 969667624 /nfs/dbraw/zinc/66/76/24/969667624.db2.gz ZUIILEJJBWWFLI-KURKYZTESA-N 2 1 407.986 3.797 20 0 HHADMP CC[N@@H+](C)[C@H](C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000110745195 969717328 /nfs/dbraw/zinc/71/73/28/969717328.db2.gz GBWSOIHPADMFII-ROKPMTFOSA-N 2 1 409.574 3.605 20 0 HHADMP CC[NH+](C)[C@H](C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000110745195 969717331 /nfs/dbraw/zinc/71/73/31/969717331.db2.gz GBWSOIHPADMFII-ROKPMTFOSA-N 2 1 409.574 3.605 20 0 HHADMP CC[NH+](C)[C@H](C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000110745195 969717333 /nfs/dbraw/zinc/71/73/33/969717333.db2.gz GBWSOIHPADMFII-ROKPMTFOSA-N 2 1 409.574 3.605 20 0 HHADMP CC(C)c1nn(C)c(Cl)c1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000236841376 970179609 /nfs/dbraw/zinc/17/96/09/970179609.db2.gz YSZCPMPUVGXSLN-UHFFFAOYSA-N 2 1 418.029 3.885 20 0 HHADMP Cc1cc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc(C)c1OCc1ccccn1 ZINC000237164250 970233334 /nfs/dbraw/zinc/23/33/34/970233334.db2.gz ZLKXQEWSNUYWIL-UHFFFAOYSA-N 2 1 410.606 3.641 20 0 HHADMP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000237172105 970234938 /nfs/dbraw/zinc/23/49/38/970234938.db2.gz GIWZPWFQPLIHQW-UHFFFAOYSA-N 2 1 410.393 3.605 20 0 HHADMP COc1cc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)ccc1OCC(F)(F)F ZINC000237244387 970248005 /nfs/dbraw/zinc/24/80/05/970248005.db2.gz XTWJZQVECQOCCA-UHFFFAOYSA-N 2 1 424.463 3.758 20 0 HHADMP COc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c2ccccc12 ZINC000237256399 970249524 /nfs/dbraw/zinc/24/95/24/970249524.db2.gz ZEGORRQVILNCBH-QFIPXVFZSA-N 2 1 417.553 3.836 20 0 HHADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000149016620 970379094 /nfs/dbraw/zinc/37/90/94/970379094.db2.gz AQFDKOWJMMYXPU-AZUAARDMSA-N 2 1 416.591 3.689 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000250822028 970540143 /nfs/dbraw/zinc/54/01/43/970540143.db2.gz TVXWIIZQHMUYKK-DQEYMECFSA-N 2 1 405.586 3.579 20 0 HHADMP O=C(NC[C@@H]1CC[NH+](CCc2ccccc2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000250822028 970540149 /nfs/dbraw/zinc/54/01/49/970540149.db2.gz TVXWIIZQHMUYKK-DQEYMECFSA-N 2 1 405.586 3.579 20 0 HHADMP O=C(NC[C@@H]1CC[NH+](CCc2ccccc2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000250822028 970540155 /nfs/dbraw/zinc/54/01/55/970540155.db2.gz TVXWIIZQHMUYKK-DQEYMECFSA-N 2 1 405.586 3.579 20 0 HHADMP C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309725786 972619395 /nfs/dbraw/zinc/61/93/95/972619395.db2.gz NPCMUGMQGUTCNW-FCEUIQTBSA-N 2 1 417.594 3.513 20 0 HHADMP Brc1cc2c(c(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)c1)OCC2 ZINC000311179847 972625054 /nfs/dbraw/zinc/62/50/54/972625054.db2.gz XZEPXZSHXUZSOI-QGZVFWFLSA-N 2 1 401.348 3.996 20 0 HHADMP Brc1cc2c(c(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)c1)OCC2 ZINC000311179847 972625063 /nfs/dbraw/zinc/62/50/63/972625063.db2.gz XZEPXZSHXUZSOI-QGZVFWFLSA-N 2 1 401.348 3.996 20 0 HHADMP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(Br)c1O ZINC000311061613 972625920 /nfs/dbraw/zinc/62/59/20/972625920.db2.gz XDSUEYKALPACPT-INIZCTEOSA-N 2 1 405.336 3.775 20 0 HHADMP CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000409455711 972901182 /nfs/dbraw/zinc/90/11/82/972901182.db2.gz YOOYEFRLTBHZLZ-OFNKIYASSA-N 2 1 409.574 3.973 20 0 HHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000554848592 1014073639 /nfs/dbraw/zinc/07/36/39/1014073639.db2.gz OFXURJPEXNVFQR-MISYRCLQSA-N 2 1 423.523 3.820 20 0 HHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000554848592 1014073642 /nfs/dbraw/zinc/07/36/42/1014073642.db2.gz OFXURJPEXNVFQR-MISYRCLQSA-N 2 1 423.523 3.820 20 0 HHADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000554848592 1014073645 /nfs/dbraw/zinc/07/36/45/1014073645.db2.gz OFXURJPEXNVFQR-MISYRCLQSA-N 2 1 423.523 3.820 20 0 HHADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000554848592 1014073646 /nfs/dbraw/zinc/07/36/46/1014073646.db2.gz OFXURJPEXNVFQR-MISYRCLQSA-N 2 1 423.523 3.820 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000410341332 973925468 /nfs/dbraw/zinc/92/54/68/973925468.db2.gz VSNGNCSBFQAVMF-FQEVSTJZSA-N 2 1 400.611 3.981 20 0 HHADMP CC[N@@H+](CCNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)CCC(F)(F)F ZINC000425993081 974105927 /nfs/dbraw/zinc/10/59/27/974105927.db2.gz AIHAADAYDBLMDC-MSOLQXFVSA-N 2 1 406.537 3.557 20 0 HHADMP CC[NH+](CCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)CCC(F)(F)F ZINC000425993081 974105929 /nfs/dbraw/zinc/10/59/29/974105929.db2.gz AIHAADAYDBLMDC-MSOLQXFVSA-N 2 1 406.537 3.557 20 0 HHADMP CC[NH+](CCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)CCC(F)(F)F ZINC000425993081 974105933 /nfs/dbraw/zinc/10/59/33/974105933.db2.gz AIHAADAYDBLMDC-MSOLQXFVSA-N 2 1 406.537 3.557 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C(C)(C)c1ccccc1F ZINC000426638995 974576480 /nfs/dbraw/zinc/57/64/80/974576480.db2.gz UFCREGCLUVZSKD-UHFFFAOYSA-N 2 1 403.586 3.758 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCCc3nc(-c4ccccc4)no3)CC2)C[C@H](C)O1 ZINC000426769400 974645846 /nfs/dbraw/zinc/64/58/46/974645846.db2.gz INOZKHQPWPOAFB-BGYRXZFFSA-N 2 1 412.578 3.881 20 0 HHADMP Cc1sc(NC(=O)C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)c1C ZINC000426774526 974650696 /nfs/dbraw/zinc/65/06/96/974650696.db2.gz PAWQTLIKJUMFQQ-IYBDPMFKSA-N 2 1 407.624 3.823 20 0 HHADMP Cc1sc(NC(=O)C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)c1C ZINC000426774526 974650699 /nfs/dbraw/zinc/65/06/99/974650699.db2.gz PAWQTLIKJUMFQQ-IYBDPMFKSA-N 2 1 407.624 3.823 20 0 HHADMP C[C@@H](CNC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000426795561 974666166 /nfs/dbraw/zinc/66/61/66/974666166.db2.gz XYLSJIMAARJIQT-FNAHDJPLSA-N 2 1 415.622 3.506 20 0 HHADMP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC000426815398 974680905 /nfs/dbraw/zinc/68/09/05/974680905.db2.gz KQXPGSZFQUXVAE-ACRUOGEOSA-N 2 1 401.595 3.842 20 0 HHADMP CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000426826491 974691120 /nfs/dbraw/zinc/69/11/20/974691120.db2.gz OZBGREJQDSYGOY-CEXWTWQISA-N 2 1 419.635 3.947 20 0 HHADMP CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000426826491 974691122 /nfs/dbraw/zinc/69/11/22/974691122.db2.gz OZBGREJQDSYGOY-CEXWTWQISA-N 2 1 419.635 3.947 20 0 HHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427846664 975319207 /nfs/dbraw/zinc/31/92/07/975319207.db2.gz ANKNMWLWKUMMON-AZUAARDMSA-N 2 1 405.464 3.834 20 0 HHADMP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000427937631 975357765 /nfs/dbraw/zinc/35/77/65/975357765.db2.gz ZOPAVWNUGBANOX-WMZHIEFXSA-N 2 1 400.611 3.569 20 0 HHADMP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000427937631 975357773 /nfs/dbraw/zinc/35/77/73/975357773.db2.gz ZOPAVWNUGBANOX-WMZHIEFXSA-N 2 1 400.611 3.569 20 0 HHADMP OC[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(Br)cc1 ZINC000428536530 975835093 /nfs/dbraw/zinc/83/50/93/975835093.db2.gz MXTLEVKYPRBTFQ-FQEVSTJZSA-N 2 1 417.391 3.854 20 0 HHADMP COC1(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CCOCC1 ZINC000428869524 976160139 /nfs/dbraw/zinc/16/01/39/976160139.db2.gz BINRCGBSRWSXRT-PKOBYXMFSA-N 2 1 400.485 3.874 20 0 HHADMP COC1(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CCOCC1 ZINC000428869524 976160145 /nfs/dbraw/zinc/16/01/45/976160145.db2.gz BINRCGBSRWSXRT-PKOBYXMFSA-N 2 1 400.485 3.874 20 0 HHADMP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H](O)COc3ccc(C(C)(C)c4ccccc4)cc3)C2)C1 ZINC000429003078 976282407 /nfs/dbraw/zinc/28/24/07/976282407.db2.gz CVOUWLNZOBCDPP-OZXSUGGESA-N 2 1 408.586 3.780 20 0 HHADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@H](O)COc3ccc(C(C)(C)c4ccccc4)cc3)C2)C1 ZINC000429003078 976282418 /nfs/dbraw/zinc/28/24/18/976282418.db2.gz CVOUWLNZOBCDPP-OZXSUGGESA-N 2 1 408.586 3.780 20 0 HHADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@H](O)COc3ccc(C(C)(C)c4ccccc4)cc3)C2)C1 ZINC000429003078 976282429 /nfs/dbraw/zinc/28/24/29/976282429.db2.gz CVOUWLNZOBCDPP-OZXSUGGESA-N 2 1 408.586 3.780 20 0 HHADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H](O)COc3ccc(C(C)(C)c4ccccc4)cc3)C2)C1 ZINC000429003078 976282441 /nfs/dbraw/zinc/28/24/41/976282441.db2.gz CVOUWLNZOBCDPP-OZXSUGGESA-N 2 1 408.586 3.780 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000429245292 976534367 /nfs/dbraw/zinc/53/43/67/976534367.db2.gz OIRYGMPXFKNJSM-SFHVURJKSA-N 2 1 408.468 3.982 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000429245292 976534377 /nfs/dbraw/zinc/53/43/77/976534377.db2.gz OIRYGMPXFKNJSM-SFHVURJKSA-N 2 1 408.468 3.982 20 0 HHADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429331313 976596620 /nfs/dbraw/zinc/59/66/20/976596620.db2.gz VBRKSODGYSQTIV-HXUWFJFHSA-N 2 1 421.541 3.515 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)[C@H](C)C1 ZINC000429457590 976730879 /nfs/dbraw/zinc/73/08/79/976730879.db2.gz UZFGGXDZLRDIOZ-OYYPCOLYSA-N 2 1 406.586 3.626 20 0 HHADMP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000429501191 976757492 /nfs/dbraw/zinc/75/74/92/976757492.db2.gz HPDLNLBBPBVNTG-HSZRJFAPSA-N 2 1 412.622 3.729 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)CC(=O)NCc2ccccc2COc2ccccc2)[C@H](C)C1 ZINC000429798604 977074535 /nfs/dbraw/zinc/07/45/35/977074535.db2.gz JKCVJJQQPACYCM-YKSBVNFPSA-N 2 1 409.574 3.544 20 0 HHADMP Cc1cccc(OCCCC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430673430 977684805 /nfs/dbraw/zinc/68/48/05/977684805.db2.gz CMILDPFHIGAKLK-UHFFFAOYSA-N 2 1 415.622 3.809 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCc1ccnc2ccccc12 ZINC000430674736 977685707 /nfs/dbraw/zinc/68/57/07/977685707.db2.gz JYCHTNKTUCTFTI-UHFFFAOYSA-N 2 1 422.617 3.822 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCSc1ccccc1 ZINC000430674371 977685716 /nfs/dbraw/zinc/68/57/16/977685716.db2.gz IYBYXUNMONQLKT-UHFFFAOYSA-N 2 1 403.636 3.824 20 0 HHADMP Cc1cc(C)c(OCC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000430675751 977686931 /nfs/dbraw/zinc/68/69/31/977686931.db2.gz NDAHMNKTQHADOA-UHFFFAOYSA-N 2 1 415.622 3.645 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Cc1ccc2c(c1)CCCC2 ZINC000430678439 977688870 /nfs/dbraw/zinc/68/88/70/977688870.db2.gz JIKXYTRAKAIBGA-UHFFFAOYSA-N 2 1 411.634 3.763 20 0 HHADMP C[C@H](CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC000430679006 977690017 /nfs/dbraw/zinc/69/00/17/977690017.db2.gz KPEUTRAYPXDBHS-LJQANCHMSA-N 2 1 403.586 3.974 20 0 HHADMP Cc1ccc(-c2cc(C(=O)N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)on2)cc1 ZINC000430687091 977695170 /nfs/dbraw/zinc/69/51/70/977695170.db2.gz OXVSMDUWJRCQAX-UHFFFAOYSA-N 2 1 424.589 3.918 20 0 HHADMP CC(C)c1cccc(NC(=O)C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000430908659 977874949 /nfs/dbraw/zinc/87/49/49/977874949.db2.gz KKSUIBMUDYOLFF-UHFFFAOYSA-N 2 1 414.638 3.877 20 0 HHADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430910129 977877181 /nfs/dbraw/zinc/87/71/81/977877181.db2.gz RSFRNPJVKCFHMJ-IBGZPJMESA-N 2 1 418.601 3.589 20 0 HHADMP Cc1ccc(-c2nnc(C[N@@H+](C)CCC3CC[NH+](C4CCN(C)CC4)CC3)o2)cc1 ZINC000430953341 977910328 /nfs/dbraw/zinc/91/03/28/977910328.db2.gz SWECDFAUDYHKQH-UHFFFAOYSA-N 2 1 411.594 3.673 20 0 HHADMP Cc1ccc(-c2nnc(C[N@H+](C)CCC3CC[NH+](C4CCN(C)CC4)CC3)o2)cc1 ZINC000430953341 977910333 /nfs/dbraw/zinc/91/03/33/977910333.db2.gz SWECDFAUDYHKQH-UHFFFAOYSA-N 2 1 411.594 3.673 20 0 HHADMP Cc1cc(N(C)C)ccc1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431088517 978011407 /nfs/dbraw/zinc/01/14/07/978011407.db2.gz DSCWOCNBCYWULL-UHFFFAOYSA-N 2 1 415.626 3.721 20 0 HHADMP CCc1nc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)sc1C ZINC000431175999 978075614 /nfs/dbraw/zinc/07/56/14/978075614.db2.gz SBKBXEFFXPNYMC-UHFFFAOYSA-N 2 1 407.628 3.674 20 0 HHADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431377805 978251238 /nfs/dbraw/zinc/25/12/38/978251238.db2.gz QIUNBIIBPUIZJX-NRFANRHFSA-N 2 1 400.611 3.805 20 0 HHADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000431405060 978278179 /nfs/dbraw/zinc/27/81/79/978278179.db2.gz QAHURCXCRWSHNO-GGAORHGYSA-N 2 1 416.610 3.583 20 0 HHADMP CC(C)CC[NH+]1CCC(CNC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000431648365 978407776 /nfs/dbraw/zinc/40/77/76/978407776.db2.gz JMHOSTLDMUUDBH-XMMPIXPASA-N 2 1 414.638 3.908 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000431672886 978427124 /nfs/dbraw/zinc/42/71/24/978427124.db2.gz JLLAAEMJMFZAGT-LEOXJPRUSA-N 2 1 412.553 3.781 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000431675381 978428516 /nfs/dbraw/zinc/42/85/16/978428516.db2.gz IEJDTADNPOITAK-AGILITTLSA-N 2 1 408.590 3.512 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000431689630 978437402 /nfs/dbraw/zinc/43/74/02/978437402.db2.gz YYCFLGJWZFNOES-ZJSXRUAMSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000431689428 978437455 /nfs/dbraw/zinc/43/74/55/978437455.db2.gz YYCFLGJWZFNOES-URXFXBBRSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N2CCC[NH+](Cc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000431704398 978447549 /nfs/dbraw/zinc/44/75/49/978447549.db2.gz XARQFAFRHQMCQO-RDGATRHJSA-N 2 1 420.601 3.957 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC[NH+]1Cc1ccccc1 ZINC000431704398 978447552 /nfs/dbraw/zinc/44/75/52/978447552.db2.gz XARQFAFRHQMCQO-RDGATRHJSA-N 2 1 420.601 3.957 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC[NH+]1Cc1ccccc1 ZINC000431704398 978447557 /nfs/dbraw/zinc/44/75/57/978447557.db2.gz XARQFAFRHQMCQO-RDGATRHJSA-N 2 1 420.601 3.957 20 0 HHADMP Cc1ccc([C@H](C)NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000431783620 978510487 /nfs/dbraw/zinc/51/04/87/978510487.db2.gz UHJANOQFGIWPIO-FQEVSTJZSA-N 2 1 400.611 3.894 20 0 HHADMP CC[C@H](NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nc(C)cs1 ZINC000431995302 978636495 /nfs/dbraw/zinc/63/64/95/978636495.db2.gz ZQOWEWGGHSUHER-FQEVSTJZSA-N 2 1 421.655 3.740 20 0 HHADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CCCO1 ZINC000432345415 978769196 /nfs/dbraw/zinc/76/91/96/978769196.db2.gz HQHIIUZGNWSGJM-FQEVSTJZSA-N 2 1 405.546 3.525 20 0 HHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000432423214 978805640 /nfs/dbraw/zinc/80/56/40/978805640.db2.gz XBCKTJPJRSLFOI-MOPGFXCFSA-N 2 1 408.608 3.554 20 0 HHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000432423214 978805642 /nfs/dbraw/zinc/80/56/42/978805642.db2.gz XBCKTJPJRSLFOI-MOPGFXCFSA-N 2 1 408.608 3.554 20 0 HHADMP CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433169501 979114422 /nfs/dbraw/zinc/11/44/22/979114422.db2.gz XNJXFRJIQTZYGN-UHFFFAOYSA-N 2 1 411.512 3.774 20 0 HHADMP CC(C)N(CC(F)(F)F)C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433169501 979114423 /nfs/dbraw/zinc/11/44/23/979114423.db2.gz XNJXFRJIQTZYGN-UHFFFAOYSA-N 2 1 411.512 3.774 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000433239691 979170872 /nfs/dbraw/zinc/17/08/72/979170872.db2.gz IHAIAAAADDDVPO-IGKNDFSCSA-N 2 1 403.533 3.759 20 0 HHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000433239691 979170879 /nfs/dbraw/zinc/17/08/79/979170879.db2.gz IHAIAAAADDDVPO-IGKNDFSCSA-N 2 1 403.533 3.759 20 0 HHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000433239691 979170881 /nfs/dbraw/zinc/17/08/81/979170881.db2.gz IHAIAAAADDDVPO-IGKNDFSCSA-N 2 1 403.533 3.759 20 0 HHADMP O[C@@H](COCc1ccccc1Cl)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434679803 980335720 /nfs/dbraw/zinc/33/57/20/980335720.db2.gz FXQRTDMVCAEJHX-HXUWFJFHSA-N 2 1 403.954 3.630 20 0 HHADMP Cc1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000435157670 980686511 /nfs/dbraw/zinc/68/65/11/980686511.db2.gz DUMNFVKAKYQAJR-HXUWFJFHSA-N 2 1 410.562 3.674 20 0 HHADMP Cc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000435157670 980686512 /nfs/dbraw/zinc/68/65/12/980686512.db2.gz DUMNFVKAKYQAJR-HXUWFJFHSA-N 2 1 410.562 3.674 20 0 HHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cnn(Cc4ccc(F)cc4)c3)c2)CCO1 ZINC000436281895 981282487 /nfs/dbraw/zinc/28/24/87/981282487.db2.gz QSMDVCVCGXDFMV-IBGZPJMESA-N 2 1 408.521 3.581 20 0 HHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cnn(Cc4ccc(F)cc4)c3)c2)CCO1 ZINC000436281895 981282492 /nfs/dbraw/zinc/28/24/92/981282492.db2.gz QSMDVCVCGXDFMV-IBGZPJMESA-N 2 1 408.521 3.581 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000436284438 981283430 /nfs/dbraw/zinc/28/34/30/981283430.db2.gz ZOCJAMXRLQFYDZ-ISKFKSNPSA-N 2 1 421.585 3.848 20 0 HHADMP C[C@@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000436369016 981330336 /nfs/dbraw/zinc/33/03/36/981330336.db2.gz ULUHRMYWILSOSV-OTWHNJEPSA-N 2 1 400.567 3.701 20 0 HHADMP COc1cc(-c2noc(CCCCC[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)n2)ccc1O ZINC000436742526 981541487 /nfs/dbraw/zinc/54/14/87/981541487.db2.gz WMRJOFJTIYPCGY-OTWHNJEPSA-N 2 1 414.550 3.626 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccccc3O)CC2)cc1 ZINC000436824674 981577811 /nfs/dbraw/zinc/57/78/11/981577811.db2.gz AFUYHZHWYUFIAG-QGZVFWFLSA-N 2 1 404.514 3.842 20 0 HHADMP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448208983 981623112 /nfs/dbraw/zinc/62/31/12/981623112.db2.gz MTAWTQIHVSFXRC-LADGPHEKSA-N 2 1 410.606 3.557 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000448211650 981625330 /nfs/dbraw/zinc/62/53/30/981625330.db2.gz HTNARSARNMKQHO-PMACEKPBSA-N 2 1 406.640 3.627 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000448211650 981625346 /nfs/dbraw/zinc/62/53/46/981625346.db2.gz HTNARSARNMKQHO-PMACEKPBSA-N 2 1 406.640 3.627 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000448211650 981625355 /nfs/dbraw/zinc/62/53/55/981625355.db2.gz HTNARSARNMKQHO-PMACEKPBSA-N 2 1 406.640 3.627 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000437043806 981714390 /nfs/dbraw/zinc/71/43/90/981714390.db2.gz WCSJKJWLPYMDCF-RPBOFIJWSA-N 2 1 405.586 3.879 20 0 HHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000437043806 981714394 /nfs/dbraw/zinc/71/43/94/981714394.db2.gz WCSJKJWLPYMDCF-RPBOFIJWSA-N 2 1 405.586 3.879 20 0 HHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000437043806 981714397 /nfs/dbraw/zinc/71/43/97/981714397.db2.gz WCSJKJWLPYMDCF-RPBOFIJWSA-N 2 1 405.586 3.879 20 0 HHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448372775 981731685 /nfs/dbraw/zinc/73/16/85/981731685.db2.gz HJKLAKOZFNWZGG-SIKLNZKXSA-N 2 1 414.594 3.888 20 0 HHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000448375739 981733649 /nfs/dbraw/zinc/73/36/49/981733649.db2.gz NWCXZRKUFDWPGY-UHFFFAOYSA-N 2 1 413.566 3.627 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)[NH+]2CCCC2)cc1 ZINC000448466223 981802359 /nfs/dbraw/zinc/80/23/59/981802359.db2.gz LRIOBSGGHHHGJM-XWGVYQGASA-N 2 1 410.606 3.790 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)[C@H](C)C1 ZINC000448525335 981854190 /nfs/dbraw/zinc/85/41/90/981854190.db2.gz PZWWEFAUSYSLGH-WTIAFYNJSA-N 2 1 414.638 3.831 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)[C@H](C)C1 ZINC000448525335 981854198 /nfs/dbraw/zinc/85/41/98/981854198.db2.gz PZWWEFAUSYSLGH-WTIAFYNJSA-N 2 1 414.638 3.831 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)[C@H](C)C1 ZINC000448525335 981854203 /nfs/dbraw/zinc/85/42/03/981854203.db2.gz PZWWEFAUSYSLGH-WTIAFYNJSA-N 2 1 414.638 3.831 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccco1 ZINC000460143492 981915271 /nfs/dbraw/zinc/91/52/71/981915271.db2.gz OUFAOHZLEGOQGG-XPWALMASSA-N 2 1 424.589 3.826 20 0 HHADMP C[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000437489024 982116601 /nfs/dbraw/zinc/11/66/01/982116601.db2.gz FTDQKQVVQVOSIT-NRFANRHFSA-N 2 1 423.626 3.972 20 0 HHADMP COC1CC[NH+](C2(CNC(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)CCCC2)CC1 ZINC000437700050 982304799 /nfs/dbraw/zinc/30/47/99/982304799.db2.gz MJOYWKMLCUWYBO-OAQYLSRUSA-N 2 1 420.642 3.506 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000437729013 982322149 /nfs/dbraw/zinc/32/21/49/982322149.db2.gz GAPIBSAZHGOMHV-UXHICEINSA-N 2 1 402.583 3.745 20 0 HHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000437916382 982461456 /nfs/dbraw/zinc/46/14/56/982461456.db2.gz DJTKJRBZPKOOKY-BGYRXZFFSA-N 2 1 411.594 3.901 20 0 HHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000437916382 982461458 /nfs/dbraw/zinc/46/14/58/982461458.db2.gz DJTKJRBZPKOOKY-BGYRXZFFSA-N 2 1 411.594 3.901 20 0 HHADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000437956760 982486615 /nfs/dbraw/zinc/48/66/15/982486615.db2.gz BUSOYGISCYFYKQ-QFIPXVFZSA-N 2 1 411.594 3.696 20 0 HHADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000437956760 982486618 /nfs/dbraw/zinc/48/66/18/982486618.db2.gz BUSOYGISCYFYKQ-QFIPXVFZSA-N 2 1 411.594 3.696 20 0 HHADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000438185805 982639099 /nfs/dbraw/zinc/63/90/99/982639099.db2.gz FEUIVFPTYBCZJR-CWDLOFLHSA-N 2 1 405.586 3.984 20 0 HHADMP C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000438584623 982920333 /nfs/dbraw/zinc/92/03/33/982920333.db2.gz SKOGVDIRJWYWHV-UHFFFAOYSA-N 2 1 418.632 3.893 20 0 HHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000438824069 983097405 /nfs/dbraw/zinc/09/74/05/983097405.db2.gz BEXCUMYLOOATKT-GCBFDWCNSA-N 2 1 421.629 3.902 20 0 HHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000438824142 983097474 /nfs/dbraw/zinc/09/74/74/983097474.db2.gz BEXCUMYLOOATKT-LDUIBRKMSA-N 2 1 421.629 3.902 20 0 HHADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000461442325 983106733 /nfs/dbraw/zinc/10/67/33/983106733.db2.gz GABWTDTZGSGUMC-ARNLJNQMSA-N 2 1 421.560 3.771 20 0 HHADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000461442325 983106737 /nfs/dbraw/zinc/10/67/37/983106737.db2.gz GABWTDTZGSGUMC-ARNLJNQMSA-N 2 1 421.560 3.771 20 0 HHADMP O=C([C@@H]1CCC[NH+]1Cc1ccc(F)cc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461442325 983106744 /nfs/dbraw/zinc/10/67/44/983106744.db2.gz GABWTDTZGSGUMC-ARNLJNQMSA-N 2 1 421.560 3.771 20 0 HHADMP O=C([C@@H]1CCC[NH+]1Cc1ccc(F)cc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461442325 983106748 /nfs/dbraw/zinc/10/67/48/983106748.db2.gz GABWTDTZGSGUMC-ARNLJNQMSA-N 2 1 421.560 3.771 20 0 HHADMP O=C(N1CC[C@H](C[NH+]2CCCCC2)C1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000461446673 983111330 /nfs/dbraw/zinc/11/13/30/983111330.db2.gz LGWDIEQKFINQDK-IFMALSPDSA-N 2 1 423.523 3.775 20 0 HHADMP O=C(c1ccc(Cn2ccnc2)cc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461451812 983117549 /nfs/dbraw/zinc/11/75/49/983117549.db2.gz TVJLIYYADXNOPH-RPWUZVMVSA-N 2 1 400.526 3.526 20 0 HHADMP Cc1ccsc1[C@H]1C[C@H]1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000438928237 983158895 /nfs/dbraw/zinc/15/88/95/983158895.db2.gz FMIKHVSPCXNRPW-LEWJYISDSA-N 2 1 403.636 3.815 20 0 HHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000439239885 983326079 /nfs/dbraw/zinc/32/60/79/983326079.db2.gz RUAIBKUUFOGCFL-RTWAWAEBSA-N 2 1 404.986 3.573 20 0 HHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000439308424 983356564 /nfs/dbraw/zinc/35/65/64/983356564.db2.gz VJOQCKBMQANRIN-RTWAWAEBSA-N 2 1 419.013 3.820 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000439420583 983402164 /nfs/dbraw/zinc/40/21/64/983402164.db2.gz HNARWPANCAKNSY-DENIHFKCSA-N 2 1 414.619 3.732 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000440185196 983674399 /nfs/dbraw/zinc/67/43/99/983674399.db2.gz JLOVRXCEPLEBFF-YKSBVNFPSA-N 2 1 421.589 3.523 20 0 HHADMP CCC[N@H+](C[C@@H](O)COc1cccc(C)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000440441077 983758580 /nfs/dbraw/zinc/75/85/80/983758580.db2.gz FKDOOCKDFZMQKZ-JOCHJYFZSA-N 2 1 412.578 3.523 20 0 HHADMP CCC[N@@H+](C[C@@H](O)COc1cccc(C)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000440441077 983758584 /nfs/dbraw/zinc/75/85/84/983758584.db2.gz FKDOOCKDFZMQKZ-JOCHJYFZSA-N 2 1 412.578 3.523 20 0 HHADMP CCC[N@H+](C[C@H](O)COc1cccc(C)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000440441080 983758603 /nfs/dbraw/zinc/75/86/03/983758603.db2.gz FKDOOCKDFZMQKZ-QFIPXVFZSA-N 2 1 412.578 3.523 20 0 HHADMP CCC[N@@H+](C[C@H](O)COc1cccc(C)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000440441080 983758604 /nfs/dbraw/zinc/75/86/04/983758604.db2.gz FKDOOCKDFZMQKZ-QFIPXVFZSA-N 2 1 412.578 3.523 20 0 HHADMP CC(C)[NH+]1CCC(N2CC[NH+](CCOc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000441045292 984041202 /nfs/dbraw/zinc/04/12/02/984041202.db2.gz AWDUCSRCRGRQOX-UHFFFAOYSA-N 2 1 400.394 3.863 20 0 HHADMP Brc1ccc(-c2cnc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)o2)cc1 ZINC000441184158 984105046 /nfs/dbraw/zinc/10/50/46/984105046.db2.gz NZLMLPAOQJGREC-UHFFFAOYSA-N 2 1 420.351 3.648 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000441249384 984137965 /nfs/dbraw/zinc/13/79/65/984137965.db2.gz YKXCWRHJEARMQR-ZTFGCOKTSA-N 2 1 400.350 3.506 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N2CCC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C[N@H+]1C1CC1 ZINC000441375859 984217238 /nfs/dbraw/zinc/21/72/38/984217238.db2.gz JICWVWKHVMSXFU-VQIMIIECSA-N 2 1 424.511 3.548 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)C[NH+]1C1CC1 ZINC000441375859 984217243 /nfs/dbraw/zinc/21/72/43/984217243.db2.gz JICWVWKHVMSXFU-VQIMIIECSA-N 2 1 424.511 3.548 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)C[NH+]1C1CC1 ZINC000441375859 984217246 /nfs/dbraw/zinc/21/72/46/984217246.db2.gz JICWVWKHVMSXFU-VQIMIIECSA-N 2 1 424.511 3.548 20 0 HHADMP C[N@@H+](C[C@H](O)CO[C@@H]1CCCc2ccccc21)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000441630219 984364333 /nfs/dbraw/zinc/36/43/33/984364333.db2.gz XULSZRPVAFZLKK-KTIWRFAQSA-N 2 1 408.586 3.895 20 0 HHADMP C[NH+](C[C@H](O)CO[C@@H]1CCCc2ccccc21)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000441630219 984364339 /nfs/dbraw/zinc/36/43/39/984364339.db2.gz XULSZRPVAFZLKK-KTIWRFAQSA-N 2 1 408.586 3.895 20 0 HHADMP C[NH+](C[C@H](O)CO[C@@H]1CCCc2ccccc21)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000441630219 984364344 /nfs/dbraw/zinc/36/43/44/984364344.db2.gz XULSZRPVAFZLKK-KTIWRFAQSA-N 2 1 408.586 3.895 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2csc(C)n2)cc1 ZINC000442014673 984594782 /nfs/dbraw/zinc/59/47/82/984594782.db2.gz SZCLTDBIDAWPKF-FQEVSTJZSA-N 2 1 400.592 3.607 20 0 HHADMP CCN(C(=O)NC1CCC(C[NH+](C)C)CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000442247483 984769354 /nfs/dbraw/zinc/76/93/54/984769354.db2.gz DNRDMXKWDHDFJJ-FLLPFDRLSA-N 2 1 400.611 3.974 20 0 HHADMP CC[C@H](Cc1ccc(C)cc1)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000461894337 984915388 /nfs/dbraw/zinc/91/53/88/984915388.db2.gz JQEOZDXNQMFEFS-HSZRJFAPSA-N 2 1 409.574 3.767 20 0 HHADMP COCC[NH+]1CCC([NH2+]Cc2ccccc2-c2ccc(Cn3ccnc3)cc2)CC1 ZINC000462031529 985008057 /nfs/dbraw/zinc/00/80/57/985008057.db2.gz KYTAFHNLJKWXSE-UHFFFAOYSA-N 2 1 404.558 3.799 20 0 HHADMP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)s2)cc1 ZINC000442868759 985252234 /nfs/dbraw/zinc/25/22/34/985252234.db2.gz CVPBJKBTOWWGHS-INIZCTEOSA-N 2 1 402.608 3.804 20 0 HHADMP Cc1cc(CNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc(N2CCCC2)[nH+]1 ZINC000462264443 985253045 /nfs/dbraw/zinc/25/30/45/985253045.db2.gz YCAODJXHLHJXDZ-SFTDATJTSA-N 2 1 413.610 3.786 20 0 HHADMP Cc1cc(CNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc(N2CCCC2)[nH+]1 ZINC000462264443 985253056 /nfs/dbraw/zinc/25/30/56/985253056.db2.gz YCAODJXHLHJXDZ-SFTDATJTSA-N 2 1 413.610 3.786 20 0 HHADMP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442874710 985254430 /nfs/dbraw/zinc/25/44/30/985254430.db2.gz NNUXQVOIJSBYLZ-KDOFPFPSSA-N 2 1 412.441 3.848 20 0 HHADMP Cc1cc(CNC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)cc(N2CCCC2)[nH+]1 ZINC000462272706 985261506 /nfs/dbraw/zinc/26/15/06/985261506.db2.gz VRFDEFXKFRGYEZ-HXUWFJFHSA-N 2 1 415.969 3.746 20 0 HHADMP C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(C)(C)C[NH+](C)C ZINC000443236498 985456883 /nfs/dbraw/zinc/45/68/83/985456883.db2.gz GFLGBGVPZOUBJX-YJBOKZPZSA-N 2 1 414.516 3.555 20 0 HHADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000462735470 985680885 /nfs/dbraw/zinc/68/08/85/985680885.db2.gz BHMHBBOYUPRUMK-DHIUTWEWSA-N 2 1 400.611 3.805 20 0 HHADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462735470 985680891 /nfs/dbraw/zinc/68/08/91/985680891.db2.gz BHMHBBOYUPRUMK-DHIUTWEWSA-N 2 1 400.611 3.805 20 0 HHADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462735470 985680897 /nfs/dbraw/zinc/68/08/97/985680897.db2.gz BHMHBBOYUPRUMK-DHIUTWEWSA-N 2 1 400.611 3.805 20 0 HHADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000462749557 985691230 /nfs/dbraw/zinc/69/12/30/985691230.db2.gz JQWDMCUBJGIPTQ-DNQXCXABSA-N 2 1 412.622 3.949 20 0 HHADMP C[C@@H](C[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1)N1CCN(C)CC1 ZINC000462801727 985734112 /nfs/dbraw/zinc/73/41/12/985734112.db2.gz INTSJSAIWHPJME-URXFXBBRSA-N 2 1 404.618 3.604 20 0 HHADMP COc1cc(OC)c(NC(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1Cl ZINC000443605045 985783919 /nfs/dbraw/zinc/78/39/19/985783919.db2.gz PKQQLEIXMYTMCT-UHFFFAOYSA-N 2 1 423.985 3.884 20 0 HHADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000443635656 985818610 /nfs/dbraw/zinc/81/86/10/985818610.db2.gz ZJGGCQCPSHUCFK-WMZHIEFXSA-N 2 1 400.611 3.933 20 0 HHADMP C[C@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000443635656 985818621 /nfs/dbraw/zinc/81/86/21/985818621.db2.gz ZJGGCQCPSHUCFK-WMZHIEFXSA-N 2 1 400.611 3.933 20 0 HHADMP C[C@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000443635656 985818651 /nfs/dbraw/zinc/81/86/51/985818651.db2.gz ZJGGCQCPSHUCFK-WMZHIEFXSA-N 2 1 400.611 3.933 20 0 HHADMP C[NH+](C)CCOc1ccccc1C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000468183331 985865718 /nfs/dbraw/zinc/86/57/18/985865718.db2.gz OGGQBNNKQUUYCL-UHFFFAOYSA-N 2 1 420.351 3.703 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1ccc(Br)cc1OCCCO ZINC000462966283 985912125 /nfs/dbraw/zinc/91/21/25/985912125.db2.gz NIANAZASCHCMLM-FZDIXFNVSA-N 2 1 411.384 3.734 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463077163 986034641 /nfs/dbraw/zinc/03/46/41/986034641.db2.gz GQDMRIMMMKFFSA-UCFCWBNQSA-N 2 1 407.558 3.947 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463077163 986034653 /nfs/dbraw/zinc/03/46/53/986034653.db2.gz GQDMRIMMMKFFSA-UCFCWBNQSA-N 2 1 407.558 3.947 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463077165 986035091 /nfs/dbraw/zinc/03/50/91/986035091.db2.gz GQDMRIMMMKFFSA-ZFJSRUIDSA-N 2 1 407.558 3.947 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463077165 986035110 /nfs/dbraw/zinc/03/51/10/986035110.db2.gz GQDMRIMMMKFFSA-ZFJSRUIDSA-N 2 1 407.558 3.947 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000463112854 986075330 /nfs/dbraw/zinc/07/53/30/986075330.db2.gz MNGJQNQZYWPBFS-IPJJNNNSSA-N 2 1 415.603 3.641 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000463112854 986075345 /nfs/dbraw/zinc/07/53/45/986075345.db2.gz MNGJQNQZYWPBFS-IPJJNNNSSA-N 2 1 415.603 3.641 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463133613 986100010 /nfs/dbraw/zinc/10/00/10/986100010.db2.gz USTMDCSCQUSHPS-YNJKOYDBSA-N 2 1 411.565 3.842 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000463133613 986100012 /nfs/dbraw/zinc/10/00/12/986100012.db2.gz USTMDCSCQUSHPS-YNJKOYDBSA-N 2 1 411.565 3.842 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000463140236 986108226 /nfs/dbraw/zinc/10/82/26/986108226.db2.gz VUKNSUHFELHOIU-FQEVSTJZSA-N 2 1 421.585 3.702 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)CCc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463193632 986165995 /nfs/dbraw/zinc/16/59/95/986165995.db2.gz RZLSULZIIMUBSZ-SDUSCBPUSA-N 2 1 405.586 3.863 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)CCc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463193632 986166003 /nfs/dbraw/zinc/16/60/03/986166003.db2.gz RZLSULZIIMUBSZ-SDUSCBPUSA-N 2 1 405.586 3.863 20 0 HHADMP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC000463194772 986166698 /nfs/dbraw/zinc/16/66/98/986166698.db2.gz ZVSVLQGDGJVDDJ-BVSLBCMMSA-N 2 1 409.574 3.925 20 0 HHADMP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC000463194772 986166699 /nfs/dbraw/zinc/16/66/99/986166699.db2.gz ZVSVLQGDGJVDDJ-BVSLBCMMSA-N 2 1 409.574 3.925 20 0 HHADMP FC(F)(F)COc1ccc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000463276537 986243949 /nfs/dbraw/zinc/24/39/49/986243949.db2.gz BILKHRLOLIYVRC-UHFFFAOYSA-N 2 1 407.480 3.862 20 0 HHADMP O[C@@]1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCC[C@H](C(F)(F)F)C1 ZINC000463277673 986245127 /nfs/dbraw/zinc/24/51/27/986245127.db2.gz TXPVGDHGYMZMQH-PXNSSMCTSA-N 2 1 402.476 3.906 20 0 HHADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000468796674 986506372 /nfs/dbraw/zinc/50/63/72/986506372.db2.gz CKBHPKGQPGZOOV-TXTKFYIRSA-N 2 1 409.574 3.833 20 0 HHADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000468796674 986506380 /nfs/dbraw/zinc/50/63/80/986506380.db2.gz CKBHPKGQPGZOOV-TXTKFYIRSA-N 2 1 409.574 3.833 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000444337212 986515592 /nfs/dbraw/zinc/51/55/92/986515592.db2.gz LLZSVBSPJIFRDF-WZONZLPQSA-N 2 1 405.546 3.714 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000463618814 986594910 /nfs/dbraw/zinc/59/49/10/986594910.db2.gz QAXJJNSGFYMQBW-LJQANCHMSA-N 2 1 412.553 3.739 20 0 HHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)c1 ZINC000468937611 986642763 /nfs/dbraw/zinc/64/27/63/986642763.db2.gz KEOXYRKYMNOBGA-UHFFFAOYSA-N 2 1 413.472 3.717 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000444589004 986775532 /nfs/dbraw/zinc/77/55/32/986775532.db2.gz HLZFNKPXTBQIKQ-OALUTQOASA-N 2 1 417.557 3.988 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000444589004 986775543 /nfs/dbraw/zinc/77/55/43/986775543.db2.gz HLZFNKPXTBQIKQ-OALUTQOASA-N 2 1 417.557 3.988 20 0 HHADMP O=C(CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000444604134 986790988 /nfs/dbraw/zinc/79/09/88/986790988.db2.gz ZWZROUKWMIXLAX-FTJBHMTQSA-N 2 1 417.597 3.948 20 0 HHADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000444604134 986790996 /nfs/dbraw/zinc/79/09/96/986790996.db2.gz ZWZROUKWMIXLAX-FTJBHMTQSA-N 2 1 417.597 3.948 20 0 HHADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000444604134 986791003 /nfs/dbraw/zinc/79/10/03/986791003.db2.gz ZWZROUKWMIXLAX-FTJBHMTQSA-N 2 1 417.597 3.948 20 0 HHADMP CCCC[N@H+](C)CC1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CC1 ZINC000469135932 986855345 /nfs/dbraw/zinc/85/53/45/986855345.db2.gz YMBSPYOLPWZNFW-UHFFFAOYSA-N 2 1 405.493 3.789 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CC1 ZINC000469135932 986855358 /nfs/dbraw/zinc/85/53/58/986855358.db2.gz YMBSPYOLPWZNFW-UHFFFAOYSA-N 2 1 405.493 3.789 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000444685324 986864656 /nfs/dbraw/zinc/86/46/56/986864656.db2.gz NVNFLSPVNRQPGX-NRFANRHFSA-N 2 1 405.586 3.819 20 0 HHADMP CC(C)[NH+]1CCC(C(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)CC1 ZINC000469206496 986929863 /nfs/dbraw/zinc/92/98/63/986929863.db2.gz RZWBGPAONKAOCW-UHFFFAOYSA-N 2 1 410.562 3.543 20 0 HHADMP C[C@H]1CN(C(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)CC[N@H+]1CC(C)(C)O ZINC000444797582 986952551 /nfs/dbraw/zinc/95/25/51/986952551.db2.gz DCKHRDMMJYKJLN-IBGZPJMESA-N 2 1 416.610 3.760 20 0 HHADMP C[C@H]1CN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC[NH+]1CC(C)(C)O ZINC000444797582 986952559 /nfs/dbraw/zinc/95/25/59/986952559.db2.gz DCKHRDMMJYKJLN-IBGZPJMESA-N 2 1 416.610 3.760 20 0 HHADMP C[C@H]1CN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC[NH+]1CC(C)(C)O ZINC000444797582 986952570 /nfs/dbraw/zinc/95/25/70/986952570.db2.gz DCKHRDMMJYKJLN-IBGZPJMESA-N 2 1 416.610 3.760 20 0 HHADMP CC(C)CN(CC(F)(F)F)C(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000469760152 987413403 /nfs/dbraw/zinc/41/34/03/987413403.db2.gz HMLMSIRPLMLHKR-ROUUACIJSA-N 2 1 413.528 3.780 20 0 HHADMP CCCOc1cccc(CNC(=O)C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c1 ZINC000469764610 987417032 /nfs/dbraw/zinc/41/70/32/987417032.db2.gz OYNADRMIDWSRCF-NHCUHLMSSA-N 2 1 423.601 3.838 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NC1(c2ccccc2)CCC1 ZINC000469766075 987418751 /nfs/dbraw/zinc/41/87/51/987418751.db2.gz WCPTVYCRAZECNZ-NHCUHLMSSA-N 2 1 405.586 3.928 20 0 HHADMP CCOc1ccc(OC[C@H](O)C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000469779092 987427199 /nfs/dbraw/zinc/42/71/99/987427199.db2.gz HBHNGYLZYAPFIG-GFMPLVLUSA-N 2 1 412.574 3.571 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)[C@H](C)C1 ZINC000469789331 987434554 /nfs/dbraw/zinc/43/45/54/987434554.db2.gz XZMFWZQQKGUSAI-YZGWKJHDSA-N 2 1 407.986 3.562 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)[C@H](C)C1 ZINC000469789331 987434558 /nfs/dbraw/zinc/43/45/58/987434558.db2.gz XZMFWZQQKGUSAI-YZGWKJHDSA-N 2 1 407.986 3.562 20 0 HHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@H](C(F)(F)F)C2(C)C)CC1 ZINC000469990022 987605640 /nfs/dbraw/zinc/60/56/40/987605640.db2.gz IMKPVSKVFJNMTM-IBGZPJMESA-N 2 1 411.512 3.692 20 0 HHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CC[C@H](C(F)(F)F)C2(C)C)CC1 ZINC000469990022 987605642 /nfs/dbraw/zinc/60/56/42/987605642.db2.gz IMKPVSKVFJNMTM-IBGZPJMESA-N 2 1 411.512 3.692 20 0 HHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)CC1 ZINC000469990022 987605645 /nfs/dbraw/zinc/60/56/45/987605645.db2.gz IMKPVSKVFJNMTM-IBGZPJMESA-N 2 1 411.512 3.692 20 0 HHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)C2(C)C)CC1 ZINC000469990022 987605647 /nfs/dbraw/zinc/60/56/47/987605647.db2.gz IMKPVSKVFJNMTM-IBGZPJMESA-N 2 1 411.512 3.692 20 0 HHADMP O=C(C[NH2+][C@@H](c1cccnc1)C1CC1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000445757867 987819370 /nfs/dbraw/zinc/81/93/70/987819370.db2.gz INQZSRLTDLTHKI-AREMUKBSSA-N 2 1 414.553 3.620 20 0 HHADMP O=C(C[NH2+][C@H](c1cccnc1)C1CC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000445769083 987831625 /nfs/dbraw/zinc/83/16/25/987831625.db2.gz SZFHCAKUFPYSAF-GGAORHGYSA-N 2 1 412.965 3.729 20 0 HHADMP C[C@@H]1C[N@@H+](CCCNC(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)CCCO1 ZINC000470103212 988005142 /nfs/dbraw/zinc/00/51/42/988005142.db2.gz FHJBNGFZVWONSO-OAQYLSRUSA-N 2 1 409.574 3.549 20 0 HHADMP C[C@@H]1C[NH+](CCCNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CCCO1 ZINC000470103212 988005155 /nfs/dbraw/zinc/00/51/55/988005155.db2.gz FHJBNGFZVWONSO-OAQYLSRUSA-N 2 1 409.574 3.549 20 0 HHADMP C[C@@H]1C[NH+](CCCNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CCCO1 ZINC000470103212 988005166 /nfs/dbraw/zinc/00/51/66/988005166.db2.gz FHJBNGFZVWONSO-OAQYLSRUSA-N 2 1 409.574 3.549 20 0 HHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000470244624 988185067 /nfs/dbraw/zinc/18/50/67/988185067.db2.gz BLWAUKUMOFTGKJ-QWHCGFSZSA-N 2 1 405.178 3.756 20 0 HHADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000470244625 988185381 /nfs/dbraw/zinc/18/53/81/988185381.db2.gz BLWAUKUMOFTGKJ-STQMWFEESA-N 2 1 405.178 3.756 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1cc2c(cn1)CCCC2 ZINC000464087104 988208422 /nfs/dbraw/zinc/20/84/22/988208422.db2.gz YNFOWDBFVAFOCY-UHFFFAOYSA-N 2 1 413.610 3.620 20 0 HHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000470283017 988239628 /nfs/dbraw/zinc/23/96/28/988239628.db2.gz LXIOYHOOCLMIMA-QHCPKHFHSA-N 2 1 400.611 3.660 20 0 HHADMP CN(C(=O)c1ccc(C[NH+]2CCSCC2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470680470 988704806 /nfs/dbraw/zinc/70/48/06/988704806.db2.gz DYDDKSRJLLAAAB-XMMPIXPASA-N 2 1 423.626 3.972 20 0 HHADMP CCC1(CC)C[N@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCS1 ZINC000464580137 988758590 /nfs/dbraw/zinc/75/85/90/988758590.db2.gz FUKISDMJUMMCHA-LJQANCHMSA-N 2 1 403.636 3.763 20 0 HHADMP CN(C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470731538 988763344 /nfs/dbraw/zinc/76/33/44/988763344.db2.gz FQOFEPLUKWGKBH-DHIUTWEWSA-N 2 1 412.553 3.734 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470743595 988782165 /nfs/dbraw/zinc/78/21/65/988782165.db2.gz CPDUMYKGEBUNSE-GGAORHGYSA-N 2 1 400.611 3.947 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470743595 988782175 /nfs/dbraw/zinc/78/21/75/988782175.db2.gz CPDUMYKGEBUNSE-GGAORHGYSA-N 2 1 400.611 3.947 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470743595 988782191 /nfs/dbraw/zinc/78/21/91/988782191.db2.gz CPDUMYKGEBUNSE-GGAORHGYSA-N 2 1 400.611 3.947 20 0 HHADMP CN(C(=O)NCCC[NH+](C)Cc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470750309 988791576 /nfs/dbraw/zinc/79/15/76/988791576.db2.gz VZUQQVHUSCJYMJ-XMMPIXPASA-N 2 1 408.590 3.815 20 0 HHADMP CN(C(=O)NCCC[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470750309 988791585 /nfs/dbraw/zinc/79/15/85/988791585.db2.gz VZUQQVHUSCJYMJ-XMMPIXPASA-N 2 1 408.590 3.815 20 0 HHADMP CN(C(=O)NCCC[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470750309 988791598 /nfs/dbraw/zinc/79/15/98/988791598.db2.gz VZUQQVHUSCJYMJ-XMMPIXPASA-N 2 1 408.590 3.815 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000470751258 988792201 /nfs/dbraw/zinc/79/22/01/988792201.db2.gz IWRWDLMRKGFVGG-GMAHTHKFSA-N 2 1 424.589 3.604 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000470751258 988792209 /nfs/dbraw/zinc/79/22/09/988792209.db2.gz IWRWDLMRKGFVGG-GMAHTHKFSA-N 2 1 424.589 3.604 20 0 HHADMP COc1ccccc1S(=O)(=O)CCC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000464679579 988882046 /nfs/dbraw/zinc/88/20/46/988882046.db2.gz JNIQOXXQWWXLFU-FQEVSTJZSA-N 2 1 422.635 3.836 20 0 HHADMP COc1ccccc1S(=O)(=O)CCC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000464679579 988882060 /nfs/dbraw/zinc/88/20/60/988882060.db2.gz JNIQOXXQWWXLFU-FQEVSTJZSA-N 2 1 422.635 3.836 20 0 HHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000470892428 988965155 /nfs/dbraw/zinc/96/51/55/988965155.db2.gz MGNWBPPEQNHUJN-JOCHJYFZSA-N 2 1 412.622 3.936 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000464945939 989238394 /nfs/dbraw/zinc/23/83/94/989238394.db2.gz VRFGXVWPYOPBAY-HSZRJFAPSA-N 2 1 400.611 3.840 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)C1 ZINC000464956217 989254224 /nfs/dbraw/zinc/25/42/24/989254224.db2.gz WWGGVCZTZNYDQT-OFNKIYASSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1 ZINC000464956217 989254236 /nfs/dbraw/zinc/25/42/36/989254236.db2.gz WWGGVCZTZNYDQT-OFNKIYASSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000464956217 989254246 /nfs/dbraw/zinc/25/42/46/989254246.db2.gz WWGGVCZTZNYDQT-OFNKIYASSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC000465019129 989339353 /nfs/dbraw/zinc/33/93/53/989339353.db2.gz ZPIZKAUSYBVHGQ-ILBGXUMGSA-N 2 1 412.622 3.662 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000465019129 989339363 /nfs/dbraw/zinc/33/93/63/989339363.db2.gz ZPIZKAUSYBVHGQ-ILBGXUMGSA-N 2 1 412.622 3.662 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000465019129 989339373 /nfs/dbraw/zinc/33/93/73/989339373.db2.gz ZPIZKAUSYBVHGQ-ILBGXUMGSA-N 2 1 412.622 3.662 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC000465019132 989339700 /nfs/dbraw/zinc/33/97/00/989339700.db2.gz ZPIZKAUSYBVHGQ-ZCYQVOJMSA-N 2 1 412.622 3.662 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000465019132 989339708 /nfs/dbraw/zinc/33/97/08/989339708.db2.gz ZPIZKAUSYBVHGQ-ZCYQVOJMSA-N 2 1 412.622 3.662 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000465019132 989339717 /nfs/dbraw/zinc/33/97/17/989339717.db2.gz ZPIZKAUSYBVHGQ-ZCYQVOJMSA-N 2 1 412.622 3.662 20 0 HHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000471231014 989375893 /nfs/dbraw/zinc/37/58/93/989375893.db2.gz BVFOHYRQUQZKBX-SUMWQHHRSA-N 2 1 400.336 3.579 20 0 HHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000471231014 989375903 /nfs/dbraw/zinc/37/59/03/989375903.db2.gz BVFOHYRQUQZKBX-SUMWQHHRSA-N 2 1 400.336 3.579 20 0 HHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000471231014 989375914 /nfs/dbraw/zinc/37/59/14/989375914.db2.gz BVFOHYRQUQZKBX-SUMWQHHRSA-N 2 1 400.336 3.579 20 0 HHADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000465076684 989396414 /nfs/dbraw/zinc/39/64/14/989396414.db2.gz DZACQNLKCNXZAE-HXUWFJFHSA-N 2 1 407.002 3.535 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000465076684 989396423 /nfs/dbraw/zinc/39/64/23/989396423.db2.gz DZACQNLKCNXZAE-HXUWFJFHSA-N 2 1 407.002 3.535 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000465076684 989396433 /nfs/dbraw/zinc/39/64/33/989396433.db2.gz DZACQNLKCNXZAE-HXUWFJFHSA-N 2 1 407.002 3.535 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000465076684 989396442 /nfs/dbraw/zinc/39/64/42/989396442.db2.gz DZACQNLKCNXZAE-HXUWFJFHSA-N 2 1 407.002 3.535 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471474772 989671209 /nfs/dbraw/zinc/67/12/09/989671209.db2.gz GZXFBGCGFQZDPG-DSNGMDLFSA-N 2 1 418.585 3.597 20 0 HHADMP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471509102 989707457 /nfs/dbraw/zinc/70/74/57/989707457.db2.gz ZBFKXVUNPNFPNA-LEWJYISDSA-N 2 1 412.603 3.706 20 0 HHADMP C[C@@H](NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000471554827 989755876 /nfs/dbraw/zinc/75/58/76/989755876.db2.gz JQMTYOGLUXXTGJ-DBYOASNMSA-N 2 1 409.574 3.717 20 0 HHADMP COc1ccc([C@@H](CNC(=O)NCCCCn2cc[nH+]c2C)[NH+]2CCCCC2)cc1 ZINC000465412446 989759218 /nfs/dbraw/zinc/75/92/18/989759218.db2.gz PNPHJWDDZANLNL-JOCHJYFZSA-N 2 1 413.566 3.507 20 0 HHADMP C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000465435220 989780405 /nfs/dbraw/zinc/78/04/05/989780405.db2.gz BNFANZBVEDGYFE-JOCHJYFZSA-N 2 1 420.601 3.957 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000471588528 989792299 /nfs/dbraw/zinc/79/22/99/989792299.db2.gz CGQDMBYPMJQLHT-QHCPKHFHSA-N 2 1 420.601 3.781 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000471609465 989814117 /nfs/dbraw/zinc/81/41/17/989814117.db2.gz JFUMJSZGDXVIIV-IVMQYODDSA-N 2 1 418.548 3.603 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000465523680 989877284 /nfs/dbraw/zinc/87/72/84/989877284.db2.gz LGHIIRGVSMOSBH-FPOVZHCZSA-N 2 1 400.592 3.514 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000465524803 989880821 /nfs/dbraw/zinc/88/08/21/989880821.db2.gz DGKPYSQZSGIPED-ILBGXUMGSA-N 2 1 420.601 3.987 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N(C)[C@H]3CC[NH+](C)[C@H](C)C3)cc2)C1 ZINC000465530047 989889514 /nfs/dbraw/zinc/88/95/14/989889514.db2.gz YITVVNSSZFLXNV-AWWSKVOZSA-N 2 1 400.611 3.789 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc2)C1 ZINC000465530047 989889526 /nfs/dbraw/zinc/88/95/26/989889526.db2.gz YITVVNSSZFLXNV-AWWSKVOZSA-N 2 1 400.611 3.789 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2)C1 ZINC000465530047 989889547 /nfs/dbraw/zinc/88/95/47/989889547.db2.gz YITVVNSSZFLXNV-AWWSKVOZSA-N 2 1 400.611 3.789 20 0 HHADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[NH+]1CCCC[C@H]1C ZINC000465554715 989918383 /nfs/dbraw/zinc/91/83/83/989918383.db2.gz YBYWVCUVQGCFBH-UXHICEINSA-N 2 1 412.578 3.974 20 0 HHADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[NH+]1CCCC[C@H]1C ZINC000465554715 989918386 /nfs/dbraw/zinc/91/83/86/989918386.db2.gz YBYWVCUVQGCFBH-UXHICEINSA-N 2 1 412.578 3.974 20 0 HHADMP C[C@@H](CNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)[N@@H+]1CCCC[C@H]1C ZINC000465554715 989918391 /nfs/dbraw/zinc/91/83/91/989918391.db2.gz YBYWVCUVQGCFBH-UXHICEINSA-N 2 1 412.578 3.974 20 0 HHADMP C[C@@H](CNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)[N@H+]1CCCC[C@H]1C ZINC000465554715 989918395 /nfs/dbraw/zinc/91/83/95/989918395.db2.gz YBYWVCUVQGCFBH-UXHICEINSA-N 2 1 412.578 3.974 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CC1 ZINC000465562102 989928799 /nfs/dbraw/zinc/92/87/99/989928799.db2.gz AXPZLEJPEPLJTI-UHFFFAOYSA-N 2 1 412.578 3.831 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CC1 ZINC000465562102 989928803 /nfs/dbraw/zinc/92/88/03/989928803.db2.gz AXPZLEJPEPLJTI-UHFFFAOYSA-N 2 1 412.578 3.831 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)C1 ZINC000465579941 989950673 /nfs/dbraw/zinc/95/06/73/989950673.db2.gz PRIWCIRJDAAZGJ-REWPJTCUSA-N 2 1 400.611 3.792 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000465579941 989950681 /nfs/dbraw/zinc/95/06/81/989950681.db2.gz PRIWCIRJDAAZGJ-REWPJTCUSA-N 2 1 400.611 3.792 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000465579941 989950688 /nfs/dbraw/zinc/95/06/88/989950688.db2.gz PRIWCIRJDAAZGJ-REWPJTCUSA-N 2 1 400.611 3.792 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465588037 989964569 /nfs/dbraw/zinc/96/45/69/989964569.db2.gz DEVRTLDJGSKSPW-ZDXQCDESSA-N 2 1 414.638 3.908 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465588037 989964573 /nfs/dbraw/zinc/96/45/73/989964573.db2.gz DEVRTLDJGSKSPW-ZDXQCDESSA-N 2 1 414.638 3.908 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465588037 989964576 /nfs/dbraw/zinc/96/45/76/989964576.db2.gz DEVRTLDJGSKSPW-ZDXQCDESSA-N 2 1 414.638 3.908 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000465589815 989967558 /nfs/dbraw/zinc/96/75/58/989967558.db2.gz DLUPVXMHXNQRNZ-YADHBBJMSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000465589815 989967565 /nfs/dbraw/zinc/96/75/65/989967565.db2.gz DLUPVXMHXNQRNZ-YADHBBJMSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000465589815 989967571 /nfs/dbraw/zinc/96/75/71/989967571.db2.gz DLUPVXMHXNQRNZ-YADHBBJMSA-N 2 1 400.611 3.805 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000465609380 989991971 /nfs/dbraw/zinc/99/19/71/989991971.db2.gz UFQFGHITXLLGSU-TZIWHRDSSA-N 2 1 406.640 3.942 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)NCCCCn1cc[nH+]c1C)[NH+]1CCCCC1 ZINC000465683308 990067592 /nfs/dbraw/zinc/06/75/92/990067592.db2.gz ICGNSBYIIKSVSU-NRFANRHFSA-N 2 1 413.566 3.507 20 0 HHADMP C[C@@H]1CCC[C@](CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)([NH+](C)C)C1 ZINC000465704313 990090641 /nfs/dbraw/zinc/09/06/41/990090641.db2.gz GZZPFHUWBNERPK-MXKPZRPRSA-N 2 1 406.640 3.941 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000465713092 990097887 /nfs/dbraw/zinc/09/78/87/990097887.db2.gz BBRVDDVTAMUCNE-ZYSHUDEJSA-N 2 1 414.516 3.870 20 0 HHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465757289 990143137 /nfs/dbraw/zinc/14/31/37/990143137.db2.gz OLBHPYFYDNSDLM-IRLDBZIGSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465757289 990143142 /nfs/dbraw/zinc/14/31/42/990143142.db2.gz OLBHPYFYDNSDLM-IRLDBZIGSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465757289 990143148 /nfs/dbraw/zinc/14/31/48/990143148.db2.gz OLBHPYFYDNSDLM-IRLDBZIGSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000465762476 990148072 /nfs/dbraw/zinc/14/80/72/990148072.db2.gz SXPIFLIYQYAXCA-PMACEKPBSA-N 2 1 412.578 3.831 20 0 HHADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000465762476 990148075 /nfs/dbraw/zinc/14/80/75/990148075.db2.gz SXPIFLIYQYAXCA-PMACEKPBSA-N 2 1 412.578 3.831 20 0 HHADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000465762476 990148082 /nfs/dbraw/zinc/14/80/82/990148082.db2.gz SXPIFLIYQYAXCA-PMACEKPBSA-N 2 1 412.578 3.831 20 0 HHADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000465762476 990148086 /nfs/dbraw/zinc/14/80/86/990148086.db2.gz SXPIFLIYQYAXCA-PMACEKPBSA-N 2 1 412.578 3.831 20 0 HHADMP CCCC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CC1 ZINC000465797307 990180224 /nfs/dbraw/zinc/18/02/24/990180224.db2.gz KPOXLAKZLBJOEW-UHFFFAOYSA-N 2 1 412.578 3.975 20 0 HHADMP CCCC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CC1 ZINC000465797307 990180228 /nfs/dbraw/zinc/18/02/28/990180228.db2.gz KPOXLAKZLBJOEW-UHFFFAOYSA-N 2 1 412.578 3.975 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000465820543 990204031 /nfs/dbraw/zinc/20/40/31/990204031.db2.gz XWPIDDUSNUAZJM-GOTSBHOMSA-N 2 1 424.589 3.888 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000465824627 990208470 /nfs/dbraw/zinc/20/84/70/990208470.db2.gz ZXVRZLWRABWGIO-ISKFKSNPSA-N 2 1 408.590 3.761 20 0 HHADMP CCn1nc(C[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c2ccccc21 ZINC000472065871 990228835 /nfs/dbraw/zinc/22/88/35/990228835.db2.gz YMQJJCQYMLOSRP-UHFFFAOYSA-N 2 1 422.573 3.836 20 0 HHADMP CCn1nc(C[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c2ccccc21 ZINC000472065871 990228845 /nfs/dbraw/zinc/22/88/45/990228845.db2.gz YMQJJCQYMLOSRP-UHFFFAOYSA-N 2 1 422.573 3.836 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCC[NH+]2Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000465869172 990982610 /nfs/dbraw/zinc/98/26/10/990982610.db2.gz HEMHACMSKBVIKB-UIFIKXQLSA-N 2 1 407.002 3.819 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCC[NH+]2Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000465869172 990982619 /nfs/dbraw/zinc/98/26/19/990982619.db2.gz HEMHACMSKBVIKB-UIFIKXQLSA-N 2 1 407.002 3.819 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC[NH+]1C ZINC000465869172 990982635 /nfs/dbraw/zinc/98/26/35/990982635.db2.gz HEMHACMSKBVIKB-UIFIKXQLSA-N 2 1 407.002 3.819 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC[NH+]1C ZINC000465869172 990982641 /nfs/dbraw/zinc/98/26/41/990982641.db2.gz HEMHACMSKBVIKB-UIFIKXQLSA-N 2 1 407.002 3.819 20 0 HHADMP CC[NH+](CC)CCOC1CCN(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000465878397 990995071 /nfs/dbraw/zinc/99/50/71/990995071.db2.gz XQGWVMBQKWHXHC-JOCHJYFZSA-N 2 1 422.658 3.564 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000465907277 991036720 /nfs/dbraw/zinc/03/67/20/991036720.db2.gz ILEUQCBDWLIGSE-FQEVSTJZSA-N 2 1 421.029 3.925 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)CC2)[nH+]c1 ZINC000465961844 991106772 /nfs/dbraw/zinc/10/67/72/991106772.db2.gz QTMGRSXJWPVFAB-OAQYLSRUSA-N 2 1 413.610 3.512 20 0 HHADMP C[NH+](C)Cc1cc(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ccc1F ZINC000466024546 991194222 /nfs/dbraw/zinc/19/42/22/991194222.db2.gz DBGUQKKTMYBEAV-UTKZUKDTSA-N 2 1 418.582 3.831 20 0 HHADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000466215526 991426898 /nfs/dbraw/zinc/42/68/98/991426898.db2.gz GJSHKGGAMBPOHR-MHECFPHRSA-N 2 1 406.574 3.697 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C[N@H+]1Cc1ccccc1 ZINC000466248273 991483869 /nfs/dbraw/zinc/48/38/69/991483869.db2.gz KTEOOYDVXWWQKA-IEZKXTBUSA-N 2 1 420.601 3.513 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C[NH+]1Cc1ccccc1 ZINC000466248273 991483873 /nfs/dbraw/zinc/48/38/73/991483873.db2.gz KTEOOYDVXWWQKA-IEZKXTBUSA-N 2 1 420.601 3.513 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C[NH+]1Cc1ccccc1 ZINC000466248273 991483880 /nfs/dbraw/zinc/48/38/80/991483880.db2.gz KTEOOYDVXWWQKA-IEZKXTBUSA-N 2 1 420.601 3.513 20 0 HHADMP O=C(N1CC[C@@H](n2c[nH+]c3c2CCCC3)C1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000466340047 991596363 /nfs/dbraw/zinc/59/63/63/991596363.db2.gz NXPQMOFUSNDYMN-XLGIIRLISA-N 2 1 418.585 3.838 20 0 HHADMP O=C(N1CC[C@@H](n2c[nH+]c3c2CCCC3)C1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000466340047 991596375 /nfs/dbraw/zinc/59/63/75/991596375.db2.gz NXPQMOFUSNDYMN-XLGIIRLISA-N 2 1 418.585 3.838 20 0 HHADMP CN(c1ccccc1C[NH2+]Cc1ccncc1OCC(F)(F)F)C1CC[NH+](C)CC1 ZINC000466413918 991705579 /nfs/dbraw/zinc/70/55/79/991705579.db2.gz LVXNAPHBVVOCBJ-UHFFFAOYSA-N 2 1 422.495 3.843 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000466530741 991829463 /nfs/dbraw/zinc/82/94/63/991829463.db2.gz RRIJTJXXWDPZBD-XUZZJYLKSA-N 2 1 420.601 3.955 20 0 HHADMP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000466541537 991847486 /nfs/dbraw/zinc/84/74/86/991847486.db2.gz RQQANMVALIPJKB-UNMCSNQZSA-N 2 1 421.589 3.613 20 0 HHADMP C[NH+](C)CCc1ccc(CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000466583256 991899556 /nfs/dbraw/zinc/89/95/56/991899556.db2.gz COOLIMTXDUZEDU-UHFFFAOYSA-N 2 1 412.603 3.661 20 0 HHADMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000466721492 992032974 /nfs/dbraw/zinc/03/29/74/992032974.db2.gz FNEJPZALGGLHRK-MRXNPFEDSA-N 2 1 415.500 3.855 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000466863738 992183439 /nfs/dbraw/zinc/18/34/39/992183439.db2.gz QETPGVXQMHGISU-RUZDIDTESA-N 2 1 422.617 3.844 20 0 HHADMP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1cc2ccccc2o1 ZINC000466910384 992226072 /nfs/dbraw/zinc/22/60/72/992226072.db2.gz VAVCWOSIYUOFEE-RTBURBONSA-N 2 1 413.562 3.575 20 0 HHADMP C[NH+](C)CCc1ccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000467008990 992316816 /nfs/dbraw/zinc/31/68/16/992316816.db2.gz HRBHHHGCEYNXGY-QILAJZQNSA-N 2 1 420.601 3.786 20 0 HHADMP Cc1nc(C[NH+]2CCC(CNC(=O)c3oc4ccccc4c3C[NH+](C)C)CC2)oc1C ZINC000467549026 992828526 /nfs/dbraw/zinc/82/85/26/992828526.db2.gz UUAFEWISQYPGIX-UHFFFAOYSA-N 2 1 424.545 3.741 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)c2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)C[N@H+]1Cc1ccccc1 ZINC000467691248 992947302 /nfs/dbraw/zinc/94/73/02/992947302.db2.gz ANTOFPLSJBYRIB-UPUUWEMXSA-N 2 1 421.585 3.689 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000467691248 992947307 /nfs/dbraw/zinc/94/73/07/992947307.db2.gz ANTOFPLSJBYRIB-UPUUWEMXSA-N 2 1 421.585 3.689 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)C[N@H+]1Cc1ccccc1 ZINC000467691248 992947314 /nfs/dbraw/zinc/94/73/14/992947314.db2.gz ANTOFPLSJBYRIB-UPUUWEMXSA-N 2 1 421.585 3.689 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C[NH+]1Cc1ccccc1 ZINC000467691248 992947328 /nfs/dbraw/zinc/94/73/28/992947328.db2.gz ANTOFPLSJBYRIB-UPUUWEMXSA-N 2 1 421.585 3.689 20 0 HHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1 ZINC000467701496 992957366 /nfs/dbraw/zinc/95/73/66/992957366.db2.gz VYVAIZDWYNHMBP-RTWAWAEBSA-N 2 1 402.583 3.886 20 0 HHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467842953 993075141 /nfs/dbraw/zinc/07/51/41/993075141.db2.gz FYPNTAOVVUYKGT-QZTJIDSGSA-N 2 1 421.632 3.561 20 0 HHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467842953 993075144 /nfs/dbraw/zinc/07/51/44/993075144.db2.gz FYPNTAOVVUYKGT-QZTJIDSGSA-N 2 1 421.632 3.561 20 0 HHADMP C[C@H](NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472114738 993166269 /nfs/dbraw/zinc/16/62/69/993166269.db2.gz HHYZANCUXCQODG-FTBPSBKWSA-N 2 1 420.601 3.718 20 0 HHADMP C[C@H](NC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472114738 993166273 /nfs/dbraw/zinc/16/62/73/993166273.db2.gz HHYZANCUXCQODG-FTBPSBKWSA-N 2 1 420.601 3.718 20 0 HHADMP C[C@H](NC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472114738 993166279 /nfs/dbraw/zinc/16/62/79/993166279.db2.gz HHYZANCUXCQODG-FTBPSBKWSA-N 2 1 420.601 3.718 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000472311387 993323008 /nfs/dbraw/zinc/32/30/08/993323008.db2.gz IEFDHTKBTNCZPJ-ZEQRLZLVSA-N 2 1 412.622 3.806 20 0 HHADMP O[C@H](COc1cccc2[nH]ccc21)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472584934 993548074 /nfs/dbraw/zinc/54/80/74/993548074.db2.gz YJNBJSRBPJEZQZ-BKMJKUGQSA-N 2 1 419.569 3.896 20 0 HHADMP O[C@H](COc1cccc2[nH]ccc21)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472584934 993548080 /nfs/dbraw/zinc/54/80/80/993548080.db2.gz YJNBJSRBPJEZQZ-BKMJKUGQSA-N 2 1 419.569 3.896 20 0 HHADMP O[C@H](COc1cccc2[nH]ccc21)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000472584934 993548087 /nfs/dbraw/zinc/54/80/87/993548087.db2.gz YJNBJSRBPJEZQZ-BKMJKUGQSA-N 2 1 419.569 3.896 20 0 HHADMP O[C@H](COc1cccc2[nH]ccc21)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000472584934 993548093 /nfs/dbraw/zinc/54/80/93/993548093.db2.gz YJNBJSRBPJEZQZ-BKMJKUGQSA-N 2 1 419.569 3.896 20 0 HHADMP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480718084 993586073 /nfs/dbraw/zinc/58/60/73/993586073.db2.gz UOYFUHANRQSZSR-NRFANRHFSA-N 2 1 410.606 3.812 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480740840 993607739 /nfs/dbraw/zinc/60/77/39/993607739.db2.gz QIICOEVYXFXFLT-BWAGFHJFSA-N 2 1 419.635 3.965 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480740840 993607741 /nfs/dbraw/zinc/60/77/41/993607741.db2.gz QIICOEVYXFXFLT-BWAGFHJFSA-N 2 1 419.635 3.965 20 0 HHADMP Ic1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCCO2 ZINC000480743922 993610748 /nfs/dbraw/zinc/61/07/48/993610748.db2.gz IYKYLOLOZMENND-ZMSDIMECSA-N 2 1 412.315 3.721 20 0 HHADMP Ic1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CCCO2 ZINC000480743922 993610756 /nfs/dbraw/zinc/61/07/56/993610756.db2.gz IYKYLOLOZMENND-ZMSDIMECSA-N 2 1 412.315 3.721 20 0 HHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000480771196 993635896 /nfs/dbraw/zinc/63/58/96/993635896.db2.gz URHRVAUERNRDQB-SFHVURJKSA-N 2 1 412.441 3.993 20 0 HHADMP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)ccc1S(C)(=O)=O ZINC000480775348 993640806 /nfs/dbraw/zinc/64/08/06/993640806.db2.gz OYODJWXBZKGACO-QGZVFWFLSA-N 2 1 404.576 3.790 20 0 HHADMP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000472745367 993677188 /nfs/dbraw/zinc/67/71/88/993677188.db2.gz DIOXBICYUPKMBR-FQEVSTJZSA-N 2 1 422.411 3.776 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1 ZINC000480883273 993746522 /nfs/dbraw/zinc/74/65/22/993746522.db2.gz KJUIQKDCPJBFSI-YKSBVNFPSA-N 2 1 417.557 3.522 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1 ZINC000480883273 993746526 /nfs/dbraw/zinc/74/65/26/993746526.db2.gz KJUIQKDCPJBFSI-YKSBVNFPSA-N 2 1 417.557 3.522 20 0 HHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000480899066 993756194 /nfs/dbraw/zinc/75/61/94/993756194.db2.gz OATUCSAHWHOJST-IBGZPJMESA-N 2 1 421.589 3.569 20 0 HHADMP CCS[C@H]1CCCC[N@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000481036854 993881114 /nfs/dbraw/zinc/88/11/14/993881114.db2.gz OCLPWLMNBFNTPW-UGKGYDQZSA-N 2 1 403.636 3.763 20 0 HHADMP CC(C)OCc1ccc(CNC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481182286 994012497 /nfs/dbraw/zinc/01/24/97/994012497.db2.gz XRQLAEXAQFAIJE-OFVILXPXSA-N 2 1 423.601 3.728 20 0 HHADMP CC(C)OCc1ccc(CNC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481182286 994012501 /nfs/dbraw/zinc/01/25/01/994012501.db2.gz XRQLAEXAQFAIJE-OFVILXPXSA-N 2 1 423.601 3.728 20 0 HHADMP CCCOc1cccc(CNC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481191256 994024411 /nfs/dbraw/zinc/02/44/11/994024411.db2.gz QHDOZHSLZYOGKA-RDPSFJRHSA-N 2 1 409.574 3.592 20 0 HHADMP CCCOc1cccc(CNC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481191256 994024418 /nfs/dbraw/zinc/02/44/18/994024418.db2.gz QHDOZHSLZYOGKA-RDPSFJRHSA-N 2 1 409.574 3.592 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000481192319 994025524 /nfs/dbraw/zinc/02/55/24/994025524.db2.gz SLUAEQSUSPAEEL-AGHHOFFYSA-N 2 1 422.491 3.945 20 0 HHADMP C(=C\C[N@H+]1CC[C@]2(C1)OCc1ccccc12)\C[NH+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000473157786 994028713 /nfs/dbraw/zinc/02/87/13/994028713.db2.gz GLAGBFCIXIEDBZ-FLZZATCISA-N 2 1 402.538 3.805 20 0 HHADMP C(=C\C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12)\C[NH+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473157786 994028716 /nfs/dbraw/zinc/02/87/16/994028716.db2.gz GLAGBFCIXIEDBZ-FLZZATCISA-N 2 1 402.538 3.805 20 0 HHADMP C(=C\C[N@H+]1CC[C@@]2(C1)OCc1ccccc12)\C[NH+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473157786 994028727 /nfs/dbraw/zinc/02/87/27/994028727.db2.gz GLAGBFCIXIEDBZ-FLZZATCISA-N 2 1 402.538 3.805 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000481582648 994423859 /nfs/dbraw/zinc/42/38/59/994423859.db2.gz OPVNFSZLSWTPPX-NIJXNBFTSA-N 2 1 421.585 3.596 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000481582648 994423864 /nfs/dbraw/zinc/42/38/64/994423864.db2.gz OPVNFSZLSWTPPX-NIJXNBFTSA-N 2 1 421.585 3.596 20 0 HHADMP C[C@@H](c1ccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1)[NH+]1CCOCC1 ZINC000473628433 994509000 /nfs/dbraw/zinc/50/90/00/994509000.db2.gz VQZYBVFEECRIPI-IBGZPJMESA-N 2 1 414.594 3.998 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)c2)CC1 ZINC000473820259 994748326 /nfs/dbraw/zinc/74/83/26/994748326.db2.gz VEJDNVNXFFVTKL-HSZRJFAPSA-N 2 1 421.589 3.615 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)c2)CC1 ZINC000473820039 994748363 /nfs/dbraw/zinc/74/83/63/994748363.db2.gz IKQZPDDEBWNKGC-WOJBJXKFSA-N 2 1 413.610 3.603 20 0 HHADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481912853 994785039 /nfs/dbraw/zinc/78/50/39/994785039.db2.gz ZJBRDQZTMVENJZ-CRAIPNDOSA-N 2 1 402.004 3.553 20 0 HHADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481912853 994785051 /nfs/dbraw/zinc/78/50/51/994785051.db2.gz ZJBRDQZTMVENJZ-CRAIPNDOSA-N 2 1 402.004 3.553 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cc(Cl)ccc3OC)C2)[C@H](C)C1 ZINC000481932188 994804754 /nfs/dbraw/zinc/80/47/54/994804754.db2.gz MQLKSSSQIVLDII-RLLQIKCJSA-N 2 1 410.002 3.654 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000473962925 994944146 /nfs/dbraw/zinc/94/41/46/994944146.db2.gz HEORZWNXYJKURW-SJBKTWHCSA-N 2 1 400.611 3.563 20 0 HHADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000474071962 995058368 /nfs/dbraw/zinc/05/83/68/995058368.db2.gz HNUHIAPUOJZSOV-RDPSFJRHSA-N 2 1 421.585 3.905 20 0 HHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)c1 ZINC000482256438 995234553 /nfs/dbraw/zinc/23/45/53/995234553.db2.gz HGBKQQCLFOYPAS-QFIPXVFZSA-N 2 1 402.510 3.786 20 0 HHADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C3CCOCC3)c1)CC2 ZINC000482258593 995236516 /nfs/dbraw/zinc/23/65/16/995236516.db2.gz FSNGQJCWVBBBCC-RUZDIDTESA-N 2 1 410.558 3.962 20 0 HHADMP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474305455 995293728 /nfs/dbraw/zinc/29/37/28/995293728.db2.gz BTUMICPGCYCQPG-QFIPXVFZSA-N 2 1 415.578 3.880 20 0 HHADMP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474305455 995293734 /nfs/dbraw/zinc/29/37/34/995293734.db2.gz BTUMICPGCYCQPG-QFIPXVFZSA-N 2 1 415.578 3.880 20 0 HHADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000482318731 995297198 /nfs/dbraw/zinc/29/71/98/995297198.db2.gz KTNONESSIZQTIY-IBGZPJMESA-N 2 1 410.400 3.526 20 0 HHADMP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000482338902 995317671 /nfs/dbraw/zinc/31/76/71/995317671.db2.gz YDRZOQVLYDASJQ-RUZDIDTESA-N 2 1 413.581 3.981 20 0 HHADMP COc1ccc2nc(C[NH2+]CC3CC[NH+](Cc4nc(C)c(C)o4)CC3)sc2c1 ZINC000474368171 995348300 /nfs/dbraw/zinc/34/83/00/995348300.db2.gz GLERUGLMIJAUEJ-UHFFFAOYSA-N 2 1 400.548 3.912 20 0 HHADMP O=C1Nc2ccccc2C12CCC([NH2+]C[C@H]1CC[N@@H+](CCc3ccccc3)C1)CC2 ZINC000482434226 995427027 /nfs/dbraw/zinc/42/70/27/995427027.db2.gz FACCTXKKAHFMLZ-AGHUKTAOSA-N 2 1 403.570 3.973 20 0 HHADMP Cc1cc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C(F)(F)F)o1 ZINC000474498962 995456422 /nfs/dbraw/zinc/45/64/22/995456422.db2.gz RWIVNJRKQVSPDR-UHFFFAOYSA-N 2 1 415.500 3.875 20 0 HHADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC([NH+]2CCc3ccccc3C2)CC1 ZINC000474570008 995532102 /nfs/dbraw/zinc/53/21/02/995532102.db2.gz JEQVQHKOXHFGOA-VWLOTQADSA-N 2 1 421.560 3.839 20 0 HHADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC([NH+]2CCc3ccccc3C2)CC1 ZINC000474570008 995532112 /nfs/dbraw/zinc/53/21/12/995532112.db2.gz JEQVQHKOXHFGOA-VWLOTQADSA-N 2 1 421.560 3.839 20 0 HHADMP O=C([C@@H]1CCC[NH+]1Cc1ccc(F)cc1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000474570008 995532124 /nfs/dbraw/zinc/53/21/24/995532124.db2.gz JEQVQHKOXHFGOA-VWLOTQADSA-N 2 1 421.560 3.839 20 0 HHADMP O=C([C@@H]1CCC[NH+]1Cc1ccc(F)cc1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000474570008 995532133 /nfs/dbraw/zinc/53/21/33/995532133.db2.gz JEQVQHKOXHFGOA-VWLOTQADSA-N 2 1 421.560 3.839 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](CCCN[C@H](Cc2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000482528853 995537445 /nfs/dbraw/zinc/53/74/45/995537445.db2.gz AGTVPTJRBUHKHQ-PGRDOPGGSA-N 2 1 417.956 3.940 20 0 HHADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000482528853 995537450 /nfs/dbraw/zinc/53/74/50/995537450.db2.gz AGTVPTJRBUHKHQ-PGRDOPGGSA-N 2 1 417.956 3.940 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000482528853 995537456 /nfs/dbraw/zinc/53/74/56/995537456.db2.gz AGTVPTJRBUHKHQ-PGRDOPGGSA-N 2 1 417.956 3.940 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)C1 ZINC000482532939 995541918 /nfs/dbraw/zinc/54/19/18/995541918.db2.gz LCVIACODOUUOII-FUHWJXTLSA-N 2 1 416.566 3.504 20 0 HHADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000482533636 995541973 /nfs/dbraw/zinc/54/19/73/995541973.db2.gz IDWKCQWPJJSDCD-AWEZNQCLSA-N 2 1 407.452 3.568 20 0 HHADMP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000482544390 995552562 /nfs/dbraw/zinc/55/25/62/995552562.db2.gz RWLSFMVNSHUDMT-VQIMIIECSA-N 2 1 400.592 3.665 20 0 HHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000482544474 995552894 /nfs/dbraw/zinc/55/28/94/995552894.db2.gz QBGBARCNKCYIKJ-CQSZACIVSA-N 2 1 402.340 3.874 20 0 HHADMP Clc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(-n2cncn2)c1 ZINC000474630256 995578016 /nfs/dbraw/zinc/57/80/16/995578016.db2.gz FWCQAQWISMAEED-INIZCTEOSA-N 2 1 401.967 3.984 20 0 HHADMP Clc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(-n2cncn2)c1 ZINC000474630256 995578026 /nfs/dbraw/zinc/57/80/26/995578026.db2.gz FWCQAQWISMAEED-INIZCTEOSA-N 2 1 401.967 3.984 20 0 HHADMP CN(C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000474690308 995632918 /nfs/dbraw/zinc/63/29/18/995632918.db2.gz CRJNBXFQHWAPPP-DEOSSOPVSA-N 2 1 409.549 3.913 20 0 HHADMP CN(C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000474690308 995632925 /nfs/dbraw/zinc/63/29/25/995632925.db2.gz CRJNBXFQHWAPPP-DEOSSOPVSA-N 2 1 409.549 3.913 20 0 HHADMP COC1CC[NH+](C2(CN[C@@H](C)c3cccc(OCC[NH+](C)C)c3)CCCC2)CC1 ZINC000482642818 995637655 /nfs/dbraw/zinc/63/76/55/995637655.db2.gz CMGSUVWYSCXZPS-FQEVSTJZSA-N 2 1 403.611 3.701 20 0 HHADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482644422 995639393 /nfs/dbraw/zinc/63/93/93/995639393.db2.gz VBSJYGCCJWREHK-FYYLOGMGSA-N 2 1 407.558 3.696 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1OC(F)F ZINC000482653340 995647087 /nfs/dbraw/zinc/64/70/87/995647087.db2.gz WZTUWKKUECYLQR-LPHOPBHVSA-N 2 1 417.500 3.836 20 0 HHADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000482666883 995657775 /nfs/dbraw/zinc/65/77/75/995657775.db2.gz VAVFVFASTDEYDF-UHFFFAOYSA-N 2 1 409.347 3.691 20 0 HHADMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000482724639 995709098 /nfs/dbraw/zinc/70/90/98/995709098.db2.gz SQHYDGUOCDLCFB-JOCHJYFZSA-N 2 1 423.523 3.964 20 0 HHADMP CCN(C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475009681 995866399 /nfs/dbraw/zinc/86/63/99/995866399.db2.gz RNUQKIHOOREAJS-UPVQGACJSA-N 2 1 424.589 3.604 20 0 HHADMP C[C@@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2sccc2C1 ZINC000482938130 995866495 /nfs/dbraw/zinc/86/64/95/995866495.db2.gz RUEIKCQDJZRKTP-IBGZPJMESA-N 2 1 411.615 3.913 20 0 HHADMP C[C@@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2sccc2C1 ZINC000482938130 995866505 /nfs/dbraw/zinc/86/65/05/995866505.db2.gz RUEIKCQDJZRKTP-IBGZPJMESA-N 2 1 411.615 3.913 20 0 HHADMP CN(C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475012590 995869204 /nfs/dbraw/zinc/86/92/04/995869204.db2.gz IYIILISDXQUODU-ZEQRLZLVSA-N 2 1 406.574 3.739 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)C[NH2+]C(C)(C)c1ccccc1Br)c1ccccc1 ZINC000475144580 995951993 /nfs/dbraw/zinc/95/19/93/995951993.db2.gz IJDSZKIHTGQYDO-LJQANCHMSA-N 2 1 418.379 3.693 20 0 HHADMP CCN(C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475160140 995960395 /nfs/dbraw/zinc/96/03/95/995960395.db2.gz AZNDOBHEELCZCP-HSZRJFAPSA-N 2 1 421.589 3.665 20 0 HHADMP CCN(C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475160140 995960405 /nfs/dbraw/zinc/96/04/05/995960405.db2.gz AZNDOBHEELCZCP-HSZRJFAPSA-N 2 1 421.589 3.665 20 0 HHADMP O=C(C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000483120005 995987806 /nfs/dbraw/zinc/98/78/06/995987806.db2.gz SSZPGUXHQPQVEU-HXUWFJFHSA-N 2 1 413.562 3.803 20 0 HHADMP Brc1cnn(CCCC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000475214673 996001708 /nfs/dbraw/zinc/00/17/08/996001708.db2.gz QQELQMIWDSYGQA-HMXCVIKNSA-N 2 1 417.395 3.926 20 0 HHADMP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cnn1-c1cccc(Cl)c1 ZINC000483189659 996027817 /nfs/dbraw/zinc/02/78/17/996027817.db2.gz CAFUHRXTYVKGTF-AEFFLSMTSA-N 2 1 402.970 3.986 20 0 HHADMP Cc1cc(-c2noc(C[NH+]3CCC(CC[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n2)ccc1F ZINC000483200417 996033620 /nfs/dbraw/zinc/03/36/20/996033620.db2.gz LNSCOWPAIJEMOO-HDICACEKSA-N 2 1 416.541 3.895 20 0 HHADMP Cc1cc(-c2noc(C[NH+]3CCC(CC[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n2)ccc1F ZINC000483200417 996033631 /nfs/dbraw/zinc/03/36/31/996033631.db2.gz LNSCOWPAIJEMOO-HDICACEKSA-N 2 1 416.541 3.895 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)[C@H](C)C1 ZINC000483200700 996034022 /nfs/dbraw/zinc/03/40/22/996034022.db2.gz OKFUGQOJNWMAQP-QRVBRYPASA-N 2 1 411.537 3.593 20 0 HHADMP O=C(NC1CC([NH+]2CCCCC2)C1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000475308631 996059841 /nfs/dbraw/zinc/05/98/41/996059841.db2.gz BLXRXHQXGLBAGQ-SMDVXAHOSA-N 2 1 410.606 3.699 20 0 HHADMP CS[C@@H]1CN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[C@H]1[NH+]1CCCC1 ZINC000483396390 996149713 /nfs/dbraw/zinc/14/97/13/996149713.db2.gz PTTSQKFPNZMBSJ-CEWLAPEOSA-N 2 1 416.635 3.531 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000475718102 996320806 /nfs/dbraw/zinc/32/08/06/996320806.db2.gz XCTBWRBYQPIXTL-ZACQAIPSSA-N 2 1 422.411 3.791 20 0 HHADMP COc1ccc(COC[C@H](O)C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000475727863 996327342 /nfs/dbraw/zinc/32/73/42/996327342.db2.gz IIPOAZWBCIIKJS-AOYPEHQESA-N 2 1 424.585 3.561 20 0 HHADMP COc1ccc(COC[C@H](O)C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000475727863 996327348 /nfs/dbraw/zinc/32/73/48/996327348.db2.gz IIPOAZWBCIIKJS-AOYPEHQESA-N 2 1 424.585 3.561 20 0 HHADMP COc1ccc(COC[C@H](O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000475727863 996327351 /nfs/dbraw/zinc/32/73/51/996327351.db2.gz IIPOAZWBCIIKJS-AOYPEHQESA-N 2 1 424.585 3.561 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)C[C@H]1C ZINC000483802372 996397273 /nfs/dbraw/zinc/39/72/73/996397273.db2.gz CSTQXVUMVPQRDE-UXPWSPDFSA-N 2 1 424.992 3.958 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000483823448 996410564 /nfs/dbraw/zinc/41/05/64/996410564.db2.gz SBBMTGCZVBYANQ-IBGZPJMESA-N 2 1 412.553 3.782 20 0 HHADMP CCCC[NH+]1CCC(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000475900321 996454918 /nfs/dbraw/zinc/45/49/18/996454918.db2.gz OUQVYJOWIJJLOP-RUZDIDTESA-N 2 1 412.622 3.949 20 0 HHADMP C[C@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000483970959 996498929 /nfs/dbraw/zinc/49/89/29/996498929.db2.gz GNCIEXDDVDCDHG-URXFXBBRSA-N 2 1 420.601 3.861 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000476024692 996550523 /nfs/dbraw/zinc/55/05/23/996550523.db2.gz RFDKVANIXNHLEB-VWLOTQADSA-N 2 1 412.622 3.806 20 0 HHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000484341018 996714669 /nfs/dbraw/zinc/71/46/69/996714669.db2.gz ICWDLUIVQLRVGB-QRQLOZEOSA-N 2 1 411.512 3.676 20 0 HHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000484341018 996714672 /nfs/dbraw/zinc/71/46/72/996714672.db2.gz ICWDLUIVQLRVGB-QRQLOZEOSA-N 2 1 411.512 3.676 20 0 HHADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000484341018 996714678 /nfs/dbraw/zinc/71/46/78/996714678.db2.gz ICWDLUIVQLRVGB-QRQLOZEOSA-N 2 1 411.512 3.676 20 0 HHADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000484341018 996714683 /nfs/dbraw/zinc/71/46/83/996714683.db2.gz ICWDLUIVQLRVGB-QRQLOZEOSA-N 2 1 411.512 3.676 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1coc2cc(F)ccc12 ZINC000476289168 996734300 /nfs/dbraw/zinc/73/43/00/996734300.db2.gz QGGAIFMTGNDRJV-UHFFFAOYSA-N 2 1 401.526 3.840 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000484483043 996804979 /nfs/dbraw/zinc/80/49/79/996804979.db2.gz LGMQLXONEWKNEL-HFZDXXHNSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000484483043 996804992 /nfs/dbraw/zinc/80/49/92/996804992.db2.gz LGMQLXONEWKNEL-HFZDXXHNSA-N 2 1 407.602 3.644 20 0 HHADMP Cc1cccc(C)c1NC(=O)CCC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000485115972 997499106 /nfs/dbraw/zinc/49/91/06/997499106.db2.gz ZCRBAQUYERUJCR-SZPZYZBQSA-N 2 1 400.611 3.513 20 0 HHADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476972991 997592699 /nfs/dbraw/zinc/59/26/99/997592699.db2.gz NASDKXRVKUYCSG-OALUTQOASA-N 2 1 415.578 3.761 20 0 HHADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476972991 997592710 /nfs/dbraw/zinc/59/27/10/997592710.db2.gz NASDKXRVKUYCSG-OALUTQOASA-N 2 1 415.578 3.761 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[NH+]3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)c2cc1C ZINC000476983238 997607092 /nfs/dbraw/zinc/60/70/92/997607092.db2.gz KPXIMVCWSLINQK-JTHBVZDNSA-N 2 1 412.622 3.991 20 0 HHADMP CC(=O)c1cccc(OC[C@H](O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000476986359 997610618 /nfs/dbraw/zinc/61/06/18/997610618.db2.gz PLPAPCCHJRMYJJ-WMZHIEFXSA-N 2 1 402.579 3.605 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)NC[C@H](C3CC3)[N@H+](C)Cc3ccccc3)CC2)[nH+]1 ZINC000477094060 997748757 /nfs/dbraw/zinc/74/87/57/997748757.db2.gz XXSFNJWAVOEVCY-HSZRJFAPSA-N 2 1 421.589 3.569 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)NC[C@H](C3CC3)[N@@H+](C)Cc3ccccc3)CC2)[nH+]1 ZINC000477094060 997748768 /nfs/dbraw/zinc/74/87/68/997748768.db2.gz XXSFNJWAVOEVCY-HSZRJFAPSA-N 2 1 421.589 3.569 20 0 HHADMP CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCCC[NH+]2Cc2cccc(Cl)c2)C1 ZINC000485388570 997815969 /nfs/dbraw/zinc/81/59/69/997815969.db2.gz NGUSCICITXJSJG-TZIWHRDSSA-N 2 1 407.002 3.678 20 0 HHADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCCC[NH+]2Cc2cccc(Cl)c2)C1 ZINC000485388570 997815982 /nfs/dbraw/zinc/81/59/82/997815982.db2.gz NGUSCICITXJSJG-TZIWHRDSSA-N 2 1 407.002 3.678 20 0 HHADMP CC[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC000485388570 997815995 /nfs/dbraw/zinc/81/59/95/997815995.db2.gz NGUSCICITXJSJG-TZIWHRDSSA-N 2 1 407.002 3.678 20 0 HHADMP CC[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000485388570 997816000 /nfs/dbraw/zinc/81/60/00/997816000.db2.gz NGUSCICITXJSJG-TZIWHRDSSA-N 2 1 407.002 3.678 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1Cl ZINC000485453547 997896515 /nfs/dbraw/zinc/89/65/15/997896515.db2.gz KANWCFKGLPPHJT-DZFGPLHGSA-N 2 1 407.002 3.849 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccco1 ZINC000485465739 997910799 /nfs/dbraw/zinc/91/07/99/997910799.db2.gz NQFXTMWXFVBHEA-BHIFYINESA-N 2 1 410.562 3.578 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccco1 ZINC000485465739 997910812 /nfs/dbraw/zinc/91/08/12/997910812.db2.gz NQFXTMWXFVBHEA-BHIFYINESA-N 2 1 410.562 3.578 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000485486398 997939246 /nfs/dbraw/zinc/93/92/46/997939246.db2.gz CKAHXRPJYZHPIA-BJKOFHAPSA-N 2 1 412.622 3.805 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000477265027 997941069 /nfs/dbraw/zinc/94/10/69/997941069.db2.gz JEJJZEWLMZMFBJ-QILAJZQNSA-N 2 1 418.585 3.709 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000477265027 997941079 /nfs/dbraw/zinc/94/10/79/997941079.db2.gz JEJJZEWLMZMFBJ-QILAJZQNSA-N 2 1 418.585 3.709 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000477338637 998026297 /nfs/dbraw/zinc/02/62/97/998026297.db2.gz MNIDQUNGJSSLMF-QPPBQGQZSA-N 2 1 423.605 3.598 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000477338637 998026307 /nfs/dbraw/zinc/02/63/07/998026307.db2.gz MNIDQUNGJSSLMF-QPPBQGQZSA-N 2 1 423.605 3.598 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000477338637 998026318 /nfs/dbraw/zinc/02/63/18/998026318.db2.gz MNIDQUNGJSSLMF-QPPBQGQZSA-N 2 1 423.605 3.598 20 0 HHADMP C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000477363243 998051568 /nfs/dbraw/zinc/05/15/68/998051568.db2.gz ZKJUJTDJDMDFGY-GOSISDBHSA-N 2 1 418.532 3.559 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000486104464 998551665 /nfs/dbraw/zinc/55/16/65/998551665.db2.gz AZLHHBICELNYFP-FYYLOGMGSA-N 2 1 410.562 3.537 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000486104464 998551677 /nfs/dbraw/zinc/55/16/77/998551677.db2.gz AZLHHBICELNYFP-FYYLOGMGSA-N 2 1 410.562 3.537 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000486104464 998551686 /nfs/dbraw/zinc/55/16/86/998551686.db2.gz AZLHHBICELNYFP-FYYLOGMGSA-N 2 1 410.562 3.537 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000486104464 998551696 /nfs/dbraw/zinc/55/16/96/998551696.db2.gz AZLHHBICELNYFP-FYYLOGMGSA-N 2 1 410.562 3.537 20 0 HHADMP C[C@H](NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486255352 998678496 /nfs/dbraw/zinc/67/84/96/998678496.db2.gz VDROZJUWGZTSDG-QNWVGRARSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@H](NC(=O)NCCCC[NH+]1CCCC[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486255352 998678501 /nfs/dbraw/zinc/67/85/01/998678501.db2.gz VDROZJUWGZTSDG-QNWVGRARSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@H](NC(=O)NCCCC[NH+]1CCCC[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486255352 998678504 /nfs/dbraw/zinc/67/85/04/998678504.db2.gz VDROZJUWGZTSDG-QNWVGRARSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@H](NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486266793 998684963 /nfs/dbraw/zinc/68/49/63/998684963.db2.gz DVQMDWIXEFBCGQ-FUPPJEDESA-N 2 1 400.611 3.708 20 0 HHADMP C[C@H](NC(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486266793 998684969 /nfs/dbraw/zinc/68/49/69/998684969.db2.gz DVQMDWIXEFBCGQ-FUPPJEDESA-N 2 1 400.611 3.708 20 0 HHADMP C[C@H](NC(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486266793 998684976 /nfs/dbraw/zinc/68/49/76/998684976.db2.gz DVQMDWIXEFBCGQ-FUPPJEDESA-N 2 1 400.611 3.708 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486315812 998708901 /nfs/dbraw/zinc/70/89/01/998708901.db2.gz CONNKDIUKVKFNT-FTBPSBKWSA-N 2 1 420.601 3.861 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486315812 998708905 /nfs/dbraw/zinc/70/89/05/998708905.db2.gz CONNKDIUKVKFNT-FTBPSBKWSA-N 2 1 420.601 3.861 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486315812 998708909 /nfs/dbraw/zinc/70/89/09/998708909.db2.gz CONNKDIUKVKFNT-FTBPSBKWSA-N 2 1 420.601 3.861 20 0 HHADMP CN(C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486328199 998714139 /nfs/dbraw/zinc/71/41/39/998714139.db2.gz KPEBNDBCGPTQIL-GOSISDBHSA-N 2 1 411.456 3.551 20 0 HHADMP CN(C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486328199 998714142 /nfs/dbraw/zinc/71/41/42/998714142.db2.gz KPEBNDBCGPTQIL-GOSISDBHSA-N 2 1 411.456 3.551 20 0 HHADMP C[C@@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486331899 998715854 /nfs/dbraw/zinc/71/58/54/998715854.db2.gz KOYVDNCUSQWYGT-FYYLOGMGSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)NCCc2cccc3cccnc32)CC1 ZINC000478049567 998735701 /nfs/dbraw/zinc/73/57/01/998735701.db2.gz WMXXYSGOZOMGAY-NRFANRHFSA-N 2 1 422.617 3.870 20 0 HHADMP COc1cc(NC(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc(OC)c1 ZINC000478058052 998741023 /nfs/dbraw/zinc/74/10/23/998741023.db2.gz YROMYGAIURCKPR-SFHVURJKSA-N 2 1 403.567 3.619 20 0 HHADMP COc1cc(NC(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc(OC)c1 ZINC000478058052 998741027 /nfs/dbraw/zinc/74/10/27/998741027.db2.gz YROMYGAIURCKPR-SFHVURJKSA-N 2 1 403.567 3.619 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000487159275 999084086 /nfs/dbraw/zinc/08/40/86/999084086.db2.gz NOHGXQPMXXOLBV-VXKWHMMOSA-N 2 1 401.501 3.980 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000487159275 999084089 /nfs/dbraw/zinc/08/40/89/999084089.db2.gz NOHGXQPMXXOLBV-VXKWHMMOSA-N 2 1 401.501 3.980 20 0 HHADMP CC(C)N1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]1c1ccc(F)c(F)c1 ZINC000487208946 999097267 /nfs/dbraw/zinc/09/72/67/999097267.db2.gz KIHALJLLWRFFAJ-DOPURONSSA-N 2 1 420.548 3.803 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1c1ccc(F)c(F)c1 ZINC000487208946 999097271 /nfs/dbraw/zinc/09/72/71/999097271.db2.gz KIHALJLLWRFFAJ-DOPURONSSA-N 2 1 420.548 3.803 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1c1ccc(F)c(F)c1 ZINC000487208946 999097275 /nfs/dbraw/zinc/09/72/75/999097275.db2.gz KIHALJLLWRFFAJ-DOPURONSSA-N 2 1 420.548 3.803 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1c1ccc(F)c(F)c1 ZINC000487208946 999097277 /nfs/dbraw/zinc/09/72/77/999097277.db2.gz KIHALJLLWRFFAJ-DOPURONSSA-N 2 1 420.548 3.803 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]1c1ccc(F)c(F)c1 ZINC000487208946 999097280 /nfs/dbraw/zinc/09/72/80/999097280.db2.gz KIHALJLLWRFFAJ-DOPURONSSA-N 2 1 420.548 3.803 20 0 HHADMP CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N[C@@H]3CCC[C@H]([NH+](C)C)C3)c2c1C ZINC000487651574 999242313 /nfs/dbraw/zinc/24/23/13/999242313.db2.gz YZCUUNBNFIBLEY-CABCVRRESA-N 2 1 419.595 3.523 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NCCC2CC[NH+](C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000487946401 999324731 /nfs/dbraw/zinc/32/47/31/999324731.db2.gz BOZIPIONDIZTSS-LEWJYISDSA-N 2 1 408.537 3.520 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NCCC2CC[NH+](C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000487946401 999324736 /nfs/dbraw/zinc/32/47/36/999324736.db2.gz BOZIPIONDIZTSS-LEWJYISDSA-N 2 1 408.537 3.520 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)cc2)C1 ZINC000479307546 999376611 /nfs/dbraw/zinc/37/66/11/999376611.db2.gz NNSJBHKHSIGTPJ-OWADITBSSA-N 2 1 412.622 3.931 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)C1 ZINC000479307546 999376613 /nfs/dbraw/zinc/37/66/13/999376613.db2.gz NNSJBHKHSIGTPJ-OWADITBSSA-N 2 1 412.622 3.931 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)C1 ZINC000479307546 999376614 /nfs/dbraw/zinc/37/66/14/999376614.db2.gz NNSJBHKHSIGTPJ-OWADITBSSA-N 2 1 412.622 3.931 20 0 HHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479331528 999389290 /nfs/dbraw/zinc/38/92/90/999389290.db2.gz RBPBMNUOOWPIQX-UONOGXRCSA-N 2 1 422.422 3.946 20 0 HHADMP CC(C)OCC[NH+]1CCC(NC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000479552955 999473936 /nfs/dbraw/zinc/47/39/36/999473936.db2.gz HVYIFBTZNGGWAT-OAQYLSRUSA-N 2 1 422.658 3.562 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000488605769 999543845 /nfs/dbraw/zinc/54/38/45/999543845.db2.gz BUVKPKQTQLNMSB-WTNAPCKOSA-N 2 1 422.564 3.908 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000488605769 999543848 /nfs/dbraw/zinc/54/38/48/999543848.db2.gz BUVKPKQTQLNMSB-WTNAPCKOSA-N 2 1 422.564 3.908 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000488605769 999543850 /nfs/dbraw/zinc/54/38/50/999543850.db2.gz BUVKPKQTQLNMSB-WTNAPCKOSA-N 2 1 422.564 3.908 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000488605769 999543854 /nfs/dbraw/zinc/54/38/54/999543854.db2.gz BUVKPKQTQLNMSB-WTNAPCKOSA-N 2 1 422.564 3.908 20 0 HHADMP C[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488642410 999555217 /nfs/dbraw/zinc/55/52/17/999555217.db2.gz IUMAXZVUQRAWBX-IRLDBZIGSA-N 2 1 412.622 3.993 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)NC[C@]3(C)CCC[N@@H+]3Cc3ccccc3)CC2)[nH+]c1 ZINC000488910757 999644592 /nfs/dbraw/zinc/64/45/92/999644592.db2.gz FBQCFSDUYLLACH-VWLOTQADSA-N 2 1 421.589 3.713 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)NC[C@]3(C)CCC[N@H+]3Cc3ccccc3)CC2)[nH+]c1 ZINC000488910757 999644594 /nfs/dbraw/zinc/64/45/94/999644594.db2.gz FBQCFSDUYLLACH-VWLOTQADSA-N 2 1 421.589 3.713 20 0 HHADMP C[C@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000489210025 999723225 /nfs/dbraw/zinc/72/32/25/999723225.db2.gz ZXQPTVQMQGRKGT-NNMXDRDESA-N 2 1 414.619 3.951 20 0 HHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccco1 ZINC000489229494 999726744 /nfs/dbraw/zinc/72/67/44/999726744.db2.gz YFGKMIRTNGDBOP-BJLQDIEVSA-N 2 1 418.607 3.982 20 0 HHADMP c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000489254699 999731196 /nfs/dbraw/zinc/73/11/96/999731196.db2.gz KRSWCEPNKVGPNU-ZEQRLZLVSA-N 3 1 410.650 3.522 20 0 HHADMP c1ccc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000489254699 999731199 /nfs/dbraw/zinc/73/11/99/999731199.db2.gz KRSWCEPNKVGPNU-ZEQRLZLVSA-N 2 1 410.650 3.522 20 0 HHADMP C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000489322801 999745494 /nfs/dbraw/zinc/74/54/94/999745494.db2.gz KNAJZFAVCSOQDF-XMMPIXPASA-N 2 1 420.601 3.957 20 0 HHADMP C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000489327208 999746179 /nfs/dbraw/zinc/74/61/79/999746179.db2.gz KTBKZNJZENYBLK-CZSZKKDXSA-N 2 1 420.601 3.643 20 0 HHADMP C[C@@H](CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000489327208 999746182 /nfs/dbraw/zinc/74/61/82/999746182.db2.gz KTBKZNJZENYBLK-CZSZKKDXSA-N 2 1 420.601 3.643 20 0 HHADMP C[C@@H](CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000489327208 999746184 /nfs/dbraw/zinc/74/61/84/999746184.db2.gz KTBKZNJZENYBLK-CZSZKKDXSA-N 2 1 420.601 3.643 20 0 HHADMP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)C[C@@H](C)C1 ZINC000489410734 999761157 /nfs/dbraw/zinc/76/11/57/999761157.db2.gz ZPKLXPWMCWEFKY-HZKQSDJQSA-N 2 1 404.624 3.503 20 0 HHADMP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C[C@@H](C)C1 ZINC000489410734 999761159 /nfs/dbraw/zinc/76/11/59/999761159.db2.gz ZPKLXPWMCWEFKY-HZKQSDJQSA-N 2 1 404.624 3.503 20 0 HHADMP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C[C@@H](C)C1 ZINC000489410734 999761162 /nfs/dbraw/zinc/76/11/62/999761162.db2.gz ZPKLXPWMCWEFKY-HZKQSDJQSA-N 2 1 404.624 3.503 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000489536386 999786900 /nfs/dbraw/zinc/78/69/00/999786900.db2.gz XPPBMFFKPWIVSM-HJNYFJLDSA-N 2 1 410.562 3.626 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000489657638 999811678 /nfs/dbraw/zinc/81/16/78/999811678.db2.gz HNGQHKMFFNXRHJ-UHFFFAOYSA-N 2 1 413.993 3.843 20 0 HHADMP Cc1ccc(C(=O)CC[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000480566744 999828400 /nfs/dbraw/zinc/82/84/00/999828400.db2.gz JJBGDIKXPJNYJQ-UHFFFAOYSA-N 2 1 421.585 3.528 20 0 HHADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000480613141 999841165 /nfs/dbraw/zinc/84/11/65/999841165.db2.gz MIPSREOFDJTTKC-RBUKOAKNSA-N 2 1 415.603 3.820 20 0 HHADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1 ZINC000480613141 999841170 /nfs/dbraw/zinc/84/11/70/999841170.db2.gz MIPSREOFDJTTKC-RBUKOAKNSA-N 2 1 415.603 3.820 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@]3(CC[NH+](C)C3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000489834208 999846343 /nfs/dbraw/zinc/84/63/43/999846343.db2.gz AYMCVJKTLVZPHO-VWPQPMDRSA-N 2 1 422.976 3.740 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@]3(CC[NH+](C)C3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000489834208 999846344 /nfs/dbraw/zinc/84/63/44/999846344.db2.gz AYMCVJKTLVZPHO-VWPQPMDRSA-N 2 1 422.976 3.740 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000489834208 999846345 /nfs/dbraw/zinc/84/63/45/999846345.db2.gz AYMCVJKTLVZPHO-VWPQPMDRSA-N 2 1 422.976 3.740 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000489834208 999846347 /nfs/dbraw/zinc/84/63/47/999846347.db2.gz AYMCVJKTLVZPHO-VWPQPMDRSA-N 2 1 422.976 3.740 20 0 HHADMP C[N@@H+](CCN(Cc1ccccc1)C(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000489895356 999857479 /nfs/dbraw/zinc/85/74/79/999857479.db2.gz BFPBAKWHFAHWJG-UHFFFAOYSA-N 2 1 420.601 3.957 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000480695397 999861456 /nfs/dbraw/zinc/86/14/56/999861456.db2.gz JOSDBVHEBRKZET-HSALFYBXSA-N 2 1 404.562 3.991 20 0 HHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3cccc(N4CCCC4=O)c3)cc2)CC1 ZINC000480711758 999865461 /nfs/dbraw/zinc/86/54/61/999865461.db2.gz HYAUQMGVOBLJSW-OAQYLSRUSA-N 2 1 420.601 3.802 20 0 HHADMP CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccc2C1 ZINC000490118229 999895422 /nfs/dbraw/zinc/89/54/22/999895422.db2.gz JXKDQOJXSWWVKC-BVFVYWQFSA-N 2 1 421.585 3.879 20 0 HHADMP Brc1cnn(CCC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000490354378 999943241 /nfs/dbraw/zinc/94/32/41/999943241.db2.gz LJHFCWVKOPBLOR-CEWLAPEOSA-N 2 1 417.395 3.926 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]Cc2ccc3c(c2)CCCC3)c1 ZINC000490506626 999968760 /nfs/dbraw/zinc/96/87/60/999968760.db2.gz CPEMXLMERMPSJP-UHFFFAOYSA-N 2 1 407.558 3.516 20 0 HHADMP C[C@@H]1C[N@@H+](CC/C=C/c2ccc(Br)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490649353 999988737 /nfs/dbraw/zinc/98/87/37/999988737.db2.gz OKUFADQPFMBPBV-ADYAGGNBSA-N 2 1 406.412 3.810 20 0 HHADMP COc1ccccc1-c1ncc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000490776211 1000004647 /nfs/dbraw/zinc/00/46/47/1000004647.db2.gz YLBARXHKDCHWLZ-NRFANRHFSA-N 2 1 402.542 3.806 20 0 HHADMP COc1ccccc1-c1ncc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000490776211 1000004649 /nfs/dbraw/zinc/00/46/49/1000004649.db2.gz YLBARXHKDCHWLZ-NRFANRHFSA-N 2 1 402.542 3.806 20 0 HHADMP CCCC[N@H+](C)CCNC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000490921801 1000023607 /nfs/dbraw/zinc/02/36/07/1000023607.db2.gz NEOYIKYQWQYNHW-UHFFFAOYSA-N 2 1 414.516 3.701 20 0 HHADMP CCCC[N@@H+](C)CCNC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000490921801 1000023609 /nfs/dbraw/zinc/02/36/09/1000023609.db2.gz NEOYIKYQWQYNHW-UHFFFAOYSA-N 2 1 414.516 3.701 20 0 HHADMP O=C(NCCC[N@@H+]1CCc2ccccc2C1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000490962773 1000028416 /nfs/dbraw/zinc/02/84/16/1000028416.db2.gz OUVAVAPWSZQXJG-UHFFFAOYSA-N 2 1 424.614 3.805 20 0 HHADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000490962773 1000028422 /nfs/dbraw/zinc/02/84/22/1000028422.db2.gz OUVAVAPWSZQXJG-UHFFFAOYSA-N 2 1 424.614 3.805 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)Cc1ccccc1 ZINC000490990968 1000031198 /nfs/dbraw/zinc/03/11/98/1000031198.db2.gz VGCZHHNBTQWOSP-OAQYLSRUSA-N 2 1 412.603 3.530 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1 ZINC000491345122 1000067201 /nfs/dbraw/zinc/06/72/01/1000067201.db2.gz FVNOHEBKKVZDLK-INIZCTEOSA-N 2 1 407.522 3.527 20 0 HHADMP C[C@@H]([NH2+]CCCCN1C(=O)c2ccccc2C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492294971 1000120388 /nfs/dbraw/zinc/12/03/88/1000120388.db2.gz TUXGDBNBLLUHJH-CTNGQTDRSA-N 2 1 405.542 3.563 20 0 HHADMP C[C@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492376908 1000124299 /nfs/dbraw/zinc/12/42/99/1000124299.db2.gz PJZLNNLADQEQSQ-FBBABVLZSA-N 2 1 422.491 3.945 20 0 HHADMP C[C@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492376907 1000124358 /nfs/dbraw/zinc/12/43/58/1000124358.db2.gz PJZLNNLADQEQSQ-DSKINZAPSA-N 2 1 422.491 3.945 20 0 HHADMP Cc1ccc([C@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)c2ccccc2Cl)cc1 ZINC000493012056 1000154202 /nfs/dbraw/zinc/15/42/02/1000154202.db2.gz XFBNUZWXYBMEMA-DEOSSOPVSA-N 2 1 416.009 3.718 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000504738653 1000348952 /nfs/dbraw/zinc/34/89/52/1000348952.db2.gz YRYRDZOHZCUFGQ-QFIPXVFZSA-N 2 1 412.553 3.565 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000494442662 1000494443 /nfs/dbraw/zinc/49/44/43/1000494443.db2.gz LJWOLILJRBYRHC-FDDCHVKYSA-N 2 1 416.585 3.552 20 0 HHADMP CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)c2C1 ZINC000505300128 1000683224 /nfs/dbraw/zinc/68/32/24/1000683224.db2.gz PITYSTXGLBCBBQ-IBGZPJMESA-N 2 1 416.610 3.562 20 0 HHADMP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000495000978 1000771549 /nfs/dbraw/zinc/77/15/49/1000771549.db2.gz YLLUKZCATVLNFH-UZLBHIALSA-N 2 1 421.511 3.553 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000495000978 1000771554 /nfs/dbraw/zinc/77/15/54/1000771554.db2.gz YLLUKZCATVLNFH-UZLBHIALSA-N 2 1 421.511 3.553 20 0 HHADMP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000495000976 1000771697 /nfs/dbraw/zinc/77/16/97/1000771697.db2.gz YLLUKZCATVLNFH-OXQOHEQNSA-N 2 1 421.511 3.553 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000495000976 1000771705 /nfs/dbraw/zinc/77/17/05/1000771705.db2.gz YLLUKZCATVLNFH-OXQOHEQNSA-N 2 1 421.511 3.553 20 0 HHADMP C[C@@H](CCNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000495384037 1000993053 /nfs/dbraw/zinc/99/30/53/1000993053.db2.gz OOTYUUDQEMUFIJ-NRFANRHFSA-N 2 1 423.601 3.531 20 0 HHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000495420370 1001006233 /nfs/dbraw/zinc/00/62/33/1001006233.db2.gz HLQXPJCPGMFBOG-BBTUJRGHSA-N 2 1 401.576 3.619 20 0 HHADMP COc1cc([C@H](C)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1S(C)(=O)=O ZINC000495441031 1001013609 /nfs/dbraw/zinc/01/36/09/1001013609.db2.gz ZSQKYHWRLRKPTQ-WAOWUJCRSA-N 2 1 416.587 3.660 20 0 HHADMP COc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1S(C)(=O)=O ZINC000495441031 1001013620 /nfs/dbraw/zinc/01/36/20/1001013620.db2.gz ZSQKYHWRLRKPTQ-WAOWUJCRSA-N 2 1 416.587 3.660 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505857476 1001064636 /nfs/dbraw/zinc/06/46/36/1001064636.db2.gz RPKLXANYESHXOI-GGAORHGYSA-N 2 1 421.585 3.557 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[NH+](C)C ZINC000506146817 1001248092 /nfs/dbraw/zinc/24/80/92/1001248092.db2.gz WAVFRKKPERKSAH-JOCHJYFZSA-N 2 1 416.610 3.596 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)CC[N@@H+]1C ZINC000506243575 1001302790 /nfs/dbraw/zinc/30/27/90/1001302790.db2.gz MAXIOFTXDWLQSN-OALUTQOASA-N 2 1 404.558 3.566 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)CC[N@H+]1C ZINC000506243575 1001302795 /nfs/dbraw/zinc/30/27/95/1001302795.db2.gz MAXIOFTXDWLQSN-OALUTQOASA-N 2 1 404.558 3.566 20 0 HHADMP CCC[NH+]1CCC(NC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)CC1 ZINC000506288824 1001331184 /nfs/dbraw/zinc/33/11/84/1001331184.db2.gz JJSZPBHQSNGIIP-UHFFFAOYSA-N 2 1 418.585 3.958 20 0 HHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000506302884 1001341375 /nfs/dbraw/zinc/34/13/75/1001341375.db2.gz XJUXDRPLBFVHKO-GMAHTHKFSA-N 2 1 412.622 3.947 20 0 HHADMP CN(Cc1ccccc1N(C)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000506405828 1001398727 /nfs/dbraw/zinc/39/87/27/1001398727.db2.gz UXHOBGMXOJDXKV-RUZDIDTESA-N 2 1 406.618 3.923 20 0 HHADMP CN(c1ccccc1C[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000506405828 1001398733 /nfs/dbraw/zinc/39/87/33/1001398733.db2.gz UXHOBGMXOJDXKV-RUZDIDTESA-N 2 1 406.618 3.923 20 0 HHADMP CN(c1ccccc1C[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000506405828 1001398739 /nfs/dbraw/zinc/39/87/39/1001398739.db2.gz UXHOBGMXOJDXKV-RUZDIDTESA-N 2 1 406.618 3.923 20 0 HHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000506934170 1001601585 /nfs/dbraw/zinc/60/15/85/1001601585.db2.gz OIAKFMGUTURZTL-SFTDATJTSA-N 2 1 422.683 3.644 20 0 HHADMP C[C@H](NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498115562 1001647089 /nfs/dbraw/zinc/64/70/89/1001647089.db2.gz AWKRMUQJLZHAEJ-QTGUNEKASA-N 2 1 412.553 3.638 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498121028 1001650103 /nfs/dbraw/zinc/65/01/03/1001650103.db2.gz LPOHJCXFGDQCNV-RTWAWAEBSA-N 2 1 408.537 3.664 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498121028 1001650104 /nfs/dbraw/zinc/65/01/04/1001650104.db2.gz LPOHJCXFGDQCNV-RTWAWAEBSA-N 2 1 408.537 3.664 20 0 HHADMP CC(C)Cc1ccc([C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[NH+](C)C)cc1 ZINC000498382469 1001812417 /nfs/dbraw/zinc/81/24/17/1001812417.db2.gz CRESJFJGDXVRAA-GLCCWIKHSA-N 2 1 400.611 3.802 20 0 HHADMP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000498507701 1001930195 /nfs/dbraw/zinc/93/01/95/1001930195.db2.gz DFURLFDKXMEVNR-JOCHJYFZSA-N 2 1 403.636 3.747 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000498507701 1001930201 /nfs/dbraw/zinc/93/02/01/1001930201.db2.gz DFURLFDKXMEVNR-JOCHJYFZSA-N 2 1 403.636 3.747 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc(Cc2ccc(C)cc2)n1 ZINC000507290629 1001974251 /nfs/dbraw/zinc/97/42/51/1001974251.db2.gz SLEPEOULCBAHIR-FQEVSTJZSA-N 2 1 414.619 3.530 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000498687377 1002074761 /nfs/dbraw/zinc/07/47/61/1002074761.db2.gz ATEGVHJRTRWUHK-OFNKIYASSA-N 2 1 400.611 3.660 20 0 HHADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[NH+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000498688296 1002075307 /nfs/dbraw/zinc/07/53/07/1002075307.db2.gz NLVCZXMTKBZTGS-KSCDAYEDSA-N 2 1 420.548 3.757 20 0 HHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[NH+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000498688296 1002075311 /nfs/dbraw/zinc/07/53/11/1002075311.db2.gz NLVCZXMTKBZTGS-KSCDAYEDSA-N 2 1 420.548 3.757 20 0 HHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000498688296 1002075314 /nfs/dbraw/zinc/07/53/14/1002075314.db2.gz NLVCZXMTKBZTGS-KSCDAYEDSA-N 2 1 420.548 3.757 20 0 HHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000498688296 1002075316 /nfs/dbraw/zinc/07/53/16/1002075316.db2.gz NLVCZXMTKBZTGS-KSCDAYEDSA-N 2 1 420.548 3.757 20 0 HHADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[NH+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000498688293 1002075901 /nfs/dbraw/zinc/07/59/01/1002075901.db2.gz NLVCZXMTKBZTGS-JZZBYWGLSA-N 2 1 420.548 3.757 20 0 HHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[NH+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000498688293 1002075911 /nfs/dbraw/zinc/07/59/11/1002075911.db2.gz NLVCZXMTKBZTGS-JZZBYWGLSA-N 2 1 420.548 3.757 20 0 HHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000498688293 1002075925 /nfs/dbraw/zinc/07/59/25/1002075925.db2.gz NLVCZXMTKBZTGS-JZZBYWGLSA-N 2 1 420.548 3.757 20 0 HHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000498688293 1002075935 /nfs/dbraw/zinc/07/59/35/1002075935.db2.gz NLVCZXMTKBZTGS-JZZBYWGLSA-N 2 1 420.548 3.757 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000498689923 1002077275 /nfs/dbraw/zinc/07/72/75/1002077275.db2.gz ORPRQFPOBQRUTF-FGZHOGPDSA-N 2 1 422.564 3.862 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000498689923 1002077288 /nfs/dbraw/zinc/07/72/88/1002077288.db2.gz ORPRQFPOBQRUTF-FGZHOGPDSA-N 2 1 422.564 3.862 20 0 HHADMP C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000498722190 1002104703 /nfs/dbraw/zinc/10/47/03/1002104703.db2.gz NQPQLQOLBABGEH-ZTCOLXNVSA-N 2 1 406.574 3.595 20 0 HHADMP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000498722190 1002104708 /nfs/dbraw/zinc/10/47/08/1002104708.db2.gz NQPQLQOLBABGEH-ZTCOLXNVSA-N 2 1 406.574 3.595 20 0 HHADMP C[C@H](NC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498722190 1002104712 /nfs/dbraw/zinc/10/47/12/1002104712.db2.gz NQPQLQOLBABGEH-ZTCOLXNVSA-N 2 1 406.574 3.595 20 0 HHADMP C[C@H](NC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498722190 1002104744 /nfs/dbraw/zinc/10/47/44/1002104744.db2.gz NQPQLQOLBABGEH-ZTCOLXNVSA-N 2 1 406.574 3.595 20 0 HHADMP O[C@H](C(F)F)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000507505474 1002117435 /nfs/dbraw/zinc/11/74/35/1002117435.db2.gz DUKKHUMGKGEXTF-HPAIXVDQSA-N 2 1 400.513 3.724 20 0 HHADMP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)C1 ZINC000507512878 1002123389 /nfs/dbraw/zinc/12/33/89/1002123389.db2.gz VFKKBSGTIJMNPR-AABGKKOBSA-N 2 1 401.595 3.536 20 0 HHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)C1 ZINC000507512878 1002123399 /nfs/dbraw/zinc/12/33/99/1002123399.db2.gz VFKKBSGTIJMNPR-AABGKKOBSA-N 2 1 401.595 3.536 20 0 HHADMP O=C1CCCN1C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000507521420 1002130513 /nfs/dbraw/zinc/13/05/13/1002130513.db2.gz YAJAJOSPJRTAMI-JBXUNAHCSA-N 2 1 403.570 3.850 20 0 HHADMP O=C1CCCN1C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000507521420 1002130519 /nfs/dbraw/zinc/13/05/19/1002130519.db2.gz YAJAJOSPJRTAMI-JBXUNAHCSA-N 2 1 403.570 3.850 20 0 HHADMP O=C(c1ccccc1)N1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000507533042 1002141651 /nfs/dbraw/zinc/14/16/51/1002141651.db2.gz SSZGWOJWGVLPQG-ZKMPZPQNSA-N 2 1 403.570 3.791 20 0 HHADMP COC1CCN(C2(C[NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)CCCC2)CC1 ZINC000507537420 1002145909 /nfs/dbraw/zinc/14/59/09/1002145909.db2.gz YBGIBMONPAOFFR-ICDZXHCJSA-N 2 1 411.634 3.910 20 0 HHADMP COC1CC[NH+](C2(CN[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)CCCC2)CC1 ZINC000507537420 1002145900 /nfs/dbraw/zinc/14/59/00/1002145900.db2.gz YBGIBMONPAOFFR-ICDZXHCJSA-N 2 1 411.634 3.910 20 0 HHADMP COC1CCN(C2(C[NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)CCCC2)CC1 ZINC000507537420 1002145914 /nfs/dbraw/zinc/14/59/14/1002145914.db2.gz YBGIBMONPAOFFR-ICDZXHCJSA-N 2 1 411.634 3.910 20 0 HHADMP C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000499112096 1002502264 /nfs/dbraw/zinc/50/22/64/1002502264.db2.gz NWOSUVKYAZXSPZ-CDPNLFKUSA-N 2 1 408.590 3.888 20 0 HHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H](CN2CCOCC2)c2ccccc2)C3)cc1 ZINC000499138978 1002522946 /nfs/dbraw/zinc/52/29/46/1002522946.db2.gz LDENSHHHANVVBO-XDZVQPMWSA-N 2 1 405.586 3.845 20 0 HHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H](CN2CCOCC2)c2ccccc2)C3)cc1 ZINC000499138978 1002522955 /nfs/dbraw/zinc/52/29/55/1002522955.db2.gz LDENSHHHANVVBO-XDZVQPMWSA-N 2 1 405.586 3.845 20 0 HHADMP Fc1cccc([C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)N2CCOCC2)c1 ZINC000499139403 1002524743 /nfs/dbraw/zinc/52/47/43/1002524743.db2.gz OXBNAPADZGLAIV-FXSWLTOZSA-N 2 1 423.576 3.984 20 0 HHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCCN2CCN(c4ccccc4)CC2)C3)cc1 ZINC000499141367 1002525389 /nfs/dbraw/zinc/52/53/89/1002525389.db2.gz LJQDFLGUZVERJM-ROPJFGRJSA-N 2 1 418.629 3.984 20 0 HHADMP Fc1ccc([C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)N2CCOCC2)cc1 ZINC000499153064 1002536603 /nfs/dbraw/zinc/53/66/03/1002536603.db2.gz QQFWESJJDOQJAU-FXSWLTOZSA-N 2 1 423.576 3.984 20 0 HHADMP Cc1ccc([C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)N2CCOCC2)o1 ZINC000499154090 1002537627 /nfs/dbraw/zinc/53/76/27/1002537627.db2.gz TWAOMTWZLAFZLU-UEQSERJNSA-N 2 1 409.574 3.747 20 0 HHADMP Cc1ccc([C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)N2CCOCC2)o1 ZINC000499154090 1002537634 /nfs/dbraw/zinc/53/76/34/1002537634.db2.gz TWAOMTWZLAFZLU-UEQSERJNSA-N 2 1 409.574 3.747 20 0 HHADMP C[C@H]1CN(c2ccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cn2)CCO1 ZINC000499164059 1002550310 /nfs/dbraw/zinc/55/03/10/1002550310.db2.gz YXYQLPRCDOGRNK-LSUHJGNXSA-N 2 1 406.574 3.592 20 0 HHADMP C[C@H]1CN(c2ccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cn2)CCO1 ZINC000499164059 1002550319 /nfs/dbraw/zinc/55/03/19/1002550319.db2.gz YXYQLPRCDOGRNK-LSUHJGNXSA-N 2 1 406.574 3.592 20 0 HHADMP C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499194230 1002583996 /nfs/dbraw/zinc/58/39/96/1002583996.db2.gz QWTHEFDTCCTOFY-IITNATTFSA-N 2 1 402.542 3.570 20 0 HHADMP C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499194230 1002584008 /nfs/dbraw/zinc/58/40/08/1002584008.db2.gz QWTHEFDTCCTOFY-IITNATTFSA-N 2 1 402.542 3.570 20 0 HHADMP C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499221120 1002606828 /nfs/dbraw/zinc/60/68/28/1002606828.db2.gz CYASOIIQNAEJGW-DAANFHMWSA-N 2 1 418.629 3.982 20 0 HHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000499236402 1002627019 /nfs/dbraw/zinc/62/70/19/1002627019.db2.gz XRDAJOYBKRMABH-ZEEZOPKCSA-N 2 1 419.613 3.655 20 0 HHADMP OC[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499236402 1002627023 /nfs/dbraw/zinc/62/70/23/1002627023.db2.gz XRDAJOYBKRMABH-ZEEZOPKCSA-N 2 1 419.613 3.655 20 0 HHADMP OC[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499236402 1002627029 /nfs/dbraw/zinc/62/70/29/1002627029.db2.gz XRDAJOYBKRMABH-ZEEZOPKCSA-N 2 1 419.613 3.655 20 0 HHADMP OC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499236402 1002627034 /nfs/dbraw/zinc/62/70/34/1002627034.db2.gz XRDAJOYBKRMABH-ZEEZOPKCSA-N 2 1 419.613 3.655 20 0 HHADMP OC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499236402 1002627039 /nfs/dbraw/zinc/62/70/39/1002627039.db2.gz XRDAJOYBKRMABH-ZEEZOPKCSA-N 2 1 419.613 3.655 20 0 HHADMP c1ccc(C[C@@H](CN2CCOCC2)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000499237864 1002629483 /nfs/dbraw/zinc/62/94/83/1002629483.db2.gz PFWJDZLYDUXICL-YIPNQBBMSA-N 2 1 419.613 3.715 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000499311777 1002718941 /nfs/dbraw/zinc/71/89/41/1002718941.db2.gz JJQWMAYKUIRLDF-KSFYIVLOSA-N 2 1 409.509 3.983 20 0 HHADMP CCC[C@@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC[N@H+]1CCOC ZINC000499579151 1002956727 /nfs/dbraw/zinc/95/67/27/1002956727.db2.gz MDAIBYAUCRMZBN-HSZRJFAPSA-N 2 1 416.610 3.680 20 0 HHADMP C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508692828 1003130653 /nfs/dbraw/zinc/13/06/53/1003130653.db2.gz BENOKFZMKMMGHK-PZJWPPBQSA-N 2 1 409.549 3.931 20 0 HHADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC000508693531 1003130910 /nfs/dbraw/zinc/13/09/10/1003130910.db2.gz CYAQCZZDIGLNNW-CUYJMHBOSA-N 2 1 406.618 3.697 20 0 HHADMP C[C@@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508699966 1003138222 /nfs/dbraw/zinc/13/82/22/1003138222.db2.gz PKRGUNZVTGYIRH-IFMALSPDSA-N 2 1 422.569 3.964 20 0 HHADMP C[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508716820 1003156765 /nfs/dbraw/zinc/15/67/65/1003156765.db2.gz LFJRDIGJZYALLF-OPHFCASCSA-N 2 1 411.565 3.699 20 0 HHADMP CC(C)C[C@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1nccs1 ZINC000508720901 1003161945 /nfs/dbraw/zinc/16/19/45/1003161945.db2.gz NUQUIDGJZUUPPR-RLLQIKCJSA-N 2 1 400.592 3.997 20 0 HHADMP CC(C)C[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1nccs1 ZINC000508720901 1003161951 /nfs/dbraw/zinc/16/19/51/1003161951.db2.gz NUQUIDGJZUUPPR-RLLQIKCJSA-N 2 1 400.592 3.997 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000508899237 1003331649 /nfs/dbraw/zinc/33/16/49/1003331649.db2.gz SZNXJERRRNROKK-UNMCSNQZSA-N 2 1 419.491 3.860 20 0 HHADMP CC[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@H+]1CCc2ccccc2C1 ZINC000500104579 1003466332 /nfs/dbraw/zinc/46/63/32/1003466332.db2.gz PLWPSLHEPUGWRX-VWLOTQADSA-N 2 1 420.601 3.919 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C1 ZINC000500137289 1003497439 /nfs/dbraw/zinc/49/74/39/1003497439.db2.gz APELLRRKFKZSSU-NFBKMPQASA-N 2 1 418.626 3.744 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCN1CCN(c2ccccc2)CC1 ZINC000509156964 1003591292 /nfs/dbraw/zinc/59/12/92/1003591292.db2.gz UBDTXINIXVXATM-BVAGGSTKSA-N 2 1 406.618 3.699 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCN1CCN(c2ccccc2)CC1 ZINC000509156964 1003591298 /nfs/dbraw/zinc/59/12/98/1003591298.db2.gz UBDTXINIXVXATM-BVAGGSTKSA-N 2 1 406.618 3.699 20 0 HHADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000511844266 1003821999 /nfs/dbraw/zinc/82/19/99/1003821999.db2.gz RPLMWRQVZFWNMJ-FQEVSTJZSA-N 2 1 405.464 3.771 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000500684400 1003893214 /nfs/dbraw/zinc/89/32/14/1003893214.db2.gz SAVRRMKBWOUPJD-XQBPLPMBSA-N 2 1 412.578 3.860 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000500684400 1003893229 /nfs/dbraw/zinc/89/32/29/1003893229.db2.gz SAVRRMKBWOUPJD-XQBPLPMBSA-N 2 1 412.578 3.860 20 0 HHADMP COc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c(Br)c1 ZINC000512004253 1003947826 /nfs/dbraw/zinc/94/78/26/1003947826.db2.gz ATMCTEYRWXIBEF-UHFFFAOYSA-N 2 1 419.363 3.704 20 0 HHADMP C[NH+](C)Cc1cnc(CNc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)s1 ZINC000512075496 1004002896 /nfs/dbraw/zinc/00/28/96/1004002896.db2.gz XIHBGFNQHOUAFL-UHFFFAOYSA-N 2 1 401.580 3.631 20 0 HHADMP Cc1cc([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)sc1Br ZINC000512135775 1004047725 /nfs/dbraw/zinc/04/77/25/1004047725.db2.gz OPGTUWCTAUDMDF-AWEZNQCLSA-N 2 1 409.397 3.817 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000509751163 1004070778 /nfs/dbraw/zinc/07/07/78/1004070778.db2.gz MDQWNMBXPCFGAF-CBQOVEMMSA-N 2 1 414.619 3.951 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000509766227 1004081724 /nfs/dbraw/zinc/08/17/24/1004081724.db2.gz HACRPVMRDRRLIN-TZIWHRDSSA-N 2 1 400.611 3.849 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000512189871 1004091717 /nfs/dbraw/zinc/09/17/17/1004091717.db2.gz QBTYRHQVFSLGHN-PKTZIBPZSA-N 2 1 414.638 3.954 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000512189871 1004091727 /nfs/dbraw/zinc/09/17/27/1004091727.db2.gz QBTYRHQVFSLGHN-PKTZIBPZSA-N 2 1 414.638 3.954 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000512189871 1004091738 /nfs/dbraw/zinc/09/17/38/1004091738.db2.gz QBTYRHQVFSLGHN-PKTZIBPZSA-N 2 1 414.638 3.954 20 0 HHADMP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501029370 1004132519 /nfs/dbraw/zinc/13/25/19/1004132519.db2.gz HPVDVKHFINKYSR-XUXNDYAISA-N 2 1 410.606 3.703 20 0 HHADMP Cn1nccc1-c1ccccc1C[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000509848440 1004146236 /nfs/dbraw/zinc/14/62/36/1004146236.db2.gz IQBCBNAQUYXZMO-VWLOTQADSA-N 2 1 403.574 3.556 20 0 HHADMP C[N@H+](CC(=O)N1CCC(Cc2ccccc2)CC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501055412 1004157695 /nfs/dbraw/zinc/15/76/95/1004157695.db2.gz WGEWRSJWJQJNSF-UHFFFAOYSA-N 2 1 420.601 3.711 20 0 HHADMP O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512279435 1004181341 /nfs/dbraw/zinc/18/13/41/1004181341.db2.gz TZFIBVOMYFDKMU-AREMUKBSSA-N 2 1 417.553 3.661 20 0 HHADMP O=C1c2ccccc2C(=O)N1CCCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512279435 1004181349 /nfs/dbraw/zinc/18/13/49/1004181349.db2.gz TZFIBVOMYFDKMU-AREMUKBSSA-N 2 1 417.553 3.661 20 0 HHADMP O=C1c2ccccc2C(=O)N1CCCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512279435 1004181357 /nfs/dbraw/zinc/18/13/57/1004181357.db2.gz TZFIBVOMYFDKMU-AREMUKBSSA-N 2 1 417.553 3.661 20 0 HHADMP CCC[N@H+](CC(=O)N(CC)C1CCCCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512283540 1004185072 /nfs/dbraw/zinc/18/50/72/1004185072.db2.gz QIDVPBRJOAGKGP-UHFFFAOYSA-N 2 1 415.626 3.955 20 0 HHADMP CCC[N@@H+](CC(=O)N(CC)C1CCCCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512283540 1004185077 /nfs/dbraw/zinc/18/50/77/1004185077.db2.gz QIDVPBRJOAGKGP-UHFFFAOYSA-N 2 1 415.626 3.955 20 0 HHADMP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501087630 1004193335 /nfs/dbraw/zinc/19/33/35/1004193335.db2.gz MJZXVFGPWKZGNN-KRWDZBQOSA-N 2 1 400.954 3.588 20 0 HHADMP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1OCC(=O)N(C)C ZINC000512312536 1004209198 /nfs/dbraw/zinc/20/91/98/1004209198.db2.gz DREYQXSUKJDVEC-IPJJNNNSSA-N 2 1 401.595 3.847 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000512424679 1004291554 /nfs/dbraw/zinc/29/15/54/1004291554.db2.gz SHFPAYMENQPXGI-KUVYTWDVSA-N 2 1 424.633 3.945 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000512424679 1004291564 /nfs/dbraw/zinc/29/15/64/1004291564.db2.gz SHFPAYMENQPXGI-KUVYTWDVSA-N 2 1 424.633 3.945 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000512424679 1004291574 /nfs/dbraw/zinc/29/15/74/1004291574.db2.gz SHFPAYMENQPXGI-KUVYTWDVSA-N 2 1 424.633 3.945 20 0 HHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000501248432 1004312747 /nfs/dbraw/zinc/31/27/47/1004312747.db2.gz BBEFVBUHODFALA-UHFFFAOYSA-N 2 1 410.562 3.587 20 0 HHADMP CC[C@H](CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000501351505 1004361551 /nfs/dbraw/zinc/36/15/51/1004361551.db2.gz LKOMYNLTFNQVKZ-JOCHJYFZSA-N 2 1 424.589 3.722 20 0 HHADMP CCC[N@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510247735 1004423582 /nfs/dbraw/zinc/42/35/82/1004423582.db2.gz ZUHMBJKUBKHXAR-LRXVAGHRSA-N 2 1 415.626 3.715 20 0 HHADMP CCC[N@@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510247735 1004423584 /nfs/dbraw/zinc/42/35/84/1004423584.db2.gz ZUHMBJKUBKHXAR-LRXVAGHRSA-N 2 1 415.626 3.715 20 0 HHADMP O[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)N(Cc2ccccc2)C1 ZINC000512626890 1004439830 /nfs/dbraw/zinc/43/98/30/1004439830.db2.gz XJBSZPFXRJJPGE-LDTQXXFPSA-N 2 1 419.613 3.512 20 0 HHADMP O[C@@H]1C[C@H](CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[NH+](Cc2ccccc2)C1 ZINC000512626890 1004439831 /nfs/dbraw/zinc/43/98/31/1004439831.db2.gz XJBSZPFXRJJPGE-LDTQXXFPSA-N 2 1 419.613 3.512 20 0 HHADMP O[C@@H]1C[C@H](CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[NH+](Cc2ccccc2)C1 ZINC000512626890 1004439836 /nfs/dbraw/zinc/43/98/36/1004439836.db2.gz XJBSZPFXRJJPGE-LDTQXXFPSA-N 2 1 419.613 3.512 20 0 HHADMP O[C@@H]1C[C@H](CN[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)[N@H+](Cc2ccccc2)C1 ZINC000512626890 1004439837 /nfs/dbraw/zinc/43/98/37/1004439837.db2.gz XJBSZPFXRJJPGE-LDTQXXFPSA-N 2 1 419.613 3.512 20 0 HHADMP O[C@@H]1C[C@H](CN[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)[N@@H+](Cc2ccccc2)C1 ZINC000512626890 1004439839 /nfs/dbraw/zinc/43/98/39/1004439839.db2.gz XJBSZPFXRJJPGE-LDTQXXFPSA-N 2 1 419.613 3.512 20 0 HHADMP CN(C)C(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512634554 1004447162 /nfs/dbraw/zinc/44/71/62/1004447162.db2.gz DOCRSMKSXKJTKE-ICDZXHCJSA-N 2 1 421.585 3.544 20 0 HHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)CC2)nc(C)n1 ZINC000512646887 1004457823 /nfs/dbraw/zinc/45/78/23/1004457823.db2.gz DXVFLLNVKUKELA-ZKMPZPQNSA-N 2 1 419.617 3.953 20 0 HHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)CC2)nc(C)[nH+]1 ZINC000512646887 1004457830 /nfs/dbraw/zinc/45/78/30/1004457830.db2.gz DXVFLLNVKUKELA-ZKMPZPQNSA-N 3 1 419.617 3.953 20 0 HHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)CC2)nc(C)[nH+]1 ZINC000512646887 1004457840 /nfs/dbraw/zinc/45/78/40/1004457840.db2.gz DXVFLLNVKUKELA-ZKMPZPQNSA-N 3 1 419.617 3.953 20 0 HHADMP O=C(NCCCCC[NH+]1CCCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000512669877 1004479563 /nfs/dbraw/zinc/47/95/63/1004479563.db2.gz ZVFMTTUFASVAAL-OAQYLSRUSA-N 2 1 407.549 3.916 20 0 HHADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000512686074 1004492305 /nfs/dbraw/zinc/49/23/05/1004492305.db2.gz FRQFRMKOOYRGFU-ROUUACIJSA-N 2 1 401.986 3.721 20 0 HHADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000501533510 1004496632 /nfs/dbraw/zinc/49/66/32/1004496632.db2.gz AROXWEFMDFLEPE-NRFANRHFSA-N 2 1 416.928 3.828 20 0 HHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000512701024 1004503633 /nfs/dbraw/zinc/50/36/33/1004503633.db2.gz GYYDRCSUNSDGRJ-FGZHOGPDSA-N 2 1 408.590 3.651 20 0 HHADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000512701026 1004503847 /nfs/dbraw/zinc/50/38/47/1004503847.db2.gz GYYDRCSUNSDGRJ-VXKWHMMOSA-N 2 1 408.590 3.651 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)N2CC[NH+](Cc3ccccc3C)CC2)[NH+]2CCCC2)o1 ZINC000510428917 1004560478 /nfs/dbraw/zinc/56/04/78/1004560478.db2.gz OEEWEJNLRUBPNP-JOCHJYFZSA-N 2 1 410.562 3.561 20 0 HHADMP O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000512825819 1004584291 /nfs/dbraw/zinc/58/42/91/1004584291.db2.gz GYOJNRKVAPDNPR-VQTJNVASSA-N 2 1 424.511 3.550 20 0 HHADMP C[C@H](NC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000510488128 1004605580 /nfs/dbraw/zinc/60/55/80/1004605580.db2.gz GLHRRUZZLIPRSG-FPOVZHCZSA-N 2 1 412.622 3.776 20 0 HHADMP C[C@H](NC(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510488128 1004605586 /nfs/dbraw/zinc/60/55/86/1004605586.db2.gz GLHRRUZZLIPRSG-FPOVZHCZSA-N 2 1 412.622 3.776 20 0 HHADMP C[C@H](NC(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510488128 1004605591 /nfs/dbraw/zinc/60/55/91/1004605591.db2.gz GLHRRUZZLIPRSG-FPOVZHCZSA-N 2 1 412.622 3.776 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)N(C)[C@H]2CCCc3ccccc32)CC1 ZINC000501771522 1004710372 /nfs/dbraw/zinc/71/03/72/1004710372.db2.gz GWOOKJWJQPOYMS-DEOSSOPVSA-N 2 1 415.622 3.593 20 0 HHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000510570084 1004714440 /nfs/dbraw/zinc/71/44/40/1004714440.db2.gz FAYSNUYXEZGBBC-UGKGYDQZSA-N 2 1 400.611 3.981 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)C2=CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000510579394 1004726629 /nfs/dbraw/zinc/72/66/29/1004726629.db2.gz KYOJUOCNVLUILU-IWMITWMQSA-N 2 1 422.976 3.953 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)C2=CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000510579394 1004726634 /nfs/dbraw/zinc/72/66/34/1004726634.db2.gz KYOJUOCNVLUILU-IWMITWMQSA-N 2 1 422.976 3.953 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000510579394 1004726638 /nfs/dbraw/zinc/72/66/38/1004726638.db2.gz KYOJUOCNVLUILU-IWMITWMQSA-N 2 1 422.976 3.953 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000510579394 1004726644 /nfs/dbraw/zinc/72/66/44/1004726644.db2.gz KYOJUOCNVLUILU-IWMITWMQSA-N 2 1 422.976 3.953 20 0 HHADMP C[C@@H](NC(=O)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510580989 1004728833 /nfs/dbraw/zinc/72/88/33/1004728833.db2.gz QSSQQJQOMVEJSF-SKWRMQMOSA-N 2 1 412.622 3.849 20 0 HHADMP C[C@@H](NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000510580989 1004728836 /nfs/dbraw/zinc/72/88/36/1004728836.db2.gz QSSQQJQOMVEJSF-SKWRMQMOSA-N 2 1 412.622 3.849 20 0 HHADMP C[C@@H](NC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000510580989 1004728854 /nfs/dbraw/zinc/72/88/54/1004728854.db2.gz QSSQQJQOMVEJSF-SKWRMQMOSA-N 2 1 412.622 3.849 20 0 HHADMP C[C@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000501810953 1004751466 /nfs/dbraw/zinc/75/14/66/1004751466.db2.gz UCBVFNDYXBJEPL-HYBUGGRVSA-N 2 1 406.574 3.570 20 0 HHADMP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000513059176 1004784723 /nfs/dbraw/zinc/78/47/23/1004784723.db2.gz RPOQPTIFKKLKMU-UHFFFAOYSA-N 2 1 407.624 3.602 20 0 HHADMP COC(=O)C[C@@](C)([NH2+]CCCCn1cc[nH+]c1C)c1ccc(Br)cc1 ZINC000513149161 1004832866 /nfs/dbraw/zinc/83/28/66/1004832866.db2.gz KBMKPFNBFAXJFA-LJQANCHMSA-N 2 1 408.340 3.802 20 0 HHADMP O[C@@]1(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000513212738 1004864114 /nfs/dbraw/zinc/86/41/14/1004864114.db2.gz PSJLOSNTVIKCQF-XMMPIXPASA-N 2 1 413.993 3.531 20 0 HHADMP O[C@@]1(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000513212738 1004864123 /nfs/dbraw/zinc/86/41/23/1004864123.db2.gz PSJLOSNTVIKCQF-XMMPIXPASA-N 2 1 413.993 3.531 20 0 HHADMP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC000510840550 1004885550 /nfs/dbraw/zinc/88/55/50/1004885550.db2.gz GAVKNYNPWHIWJQ-NRFANRHFSA-N 2 1 401.501 3.887 20 0 HHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000513326811 1004913328 /nfs/dbraw/zinc/91/33/28/1004913328.db2.gz XHTMEJGLHUXJHV-OFVILXPXSA-N 3 1 407.602 3.786 20 0 HHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC000513326811 1004913336 /nfs/dbraw/zinc/91/33/36/1004913336.db2.gz XHTMEJGLHUXJHV-OFVILXPXSA-N 3 1 407.602 3.786 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@@H](C)O1 ZINC000513360764 1004925802 /nfs/dbraw/zinc/92/58/02/1004925802.db2.gz DXLRZFAFOPIZOA-NHCUHLMSSA-N 2 1 421.585 3.822 20 0 HHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4cccc(Br)c4)o3)C2)CC1 ZINC000513460797 1004976741 /nfs/dbraw/zinc/97/67/41/1004976741.db2.gz IDFPWVFKLDIUBA-LJQANCHMSA-N 2 1 418.379 3.921 20 0 HHADMP C[NH+]1CCC2(CCCN2C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC1 ZINC000511027608 1004986572 /nfs/dbraw/zinc/98/65/72/1004986572.db2.gz HJUWAYJNXQEVSC-OAQYLSRUSA-N 2 1 419.013 3.964 20 0 HHADMP C[NH+]1CCC2(CCCN2C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1 ZINC000511027608 1004986576 /nfs/dbraw/zinc/98/65/76/1004986576.db2.gz HJUWAYJNXQEVSC-OAQYLSRUSA-N 2 1 419.013 3.964 20 0 HHADMP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cc(Cl)ccc3Cl)c2)C1 ZINC000513487540 1004987080 /nfs/dbraw/zinc/98/70/80/1004987080.db2.gz GIAKVQMNCKNXDZ-KRWDZBQOSA-N 2 1 406.357 3.981 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cc(Cl)ccc3Cl)c2)C1 ZINC000513487540 1004987084 /nfs/dbraw/zinc/98/70/84/1004987084.db2.gz GIAKVQMNCKNXDZ-KRWDZBQOSA-N 2 1 406.357 3.981 20 0 HHADMP COc1cc(C)c(C[C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1OC ZINC000502274032 1004988838 /nfs/dbraw/zinc/98/88/38/1004988838.db2.gz MONSGIZDDYPEEH-VQTJNVASSA-N 2 1 412.574 3.954 20 0 HHADMP COc1cc(C)c(C[C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1OC ZINC000502274032 1004988843 /nfs/dbraw/zinc/98/88/43/1004988843.db2.gz MONSGIZDDYPEEH-VQTJNVASSA-N 2 1 412.574 3.954 20 0 HHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)[C@H]2CCC[C@H]21 ZINC000513659788 1005070357 /nfs/dbraw/zinc/07/03/57/1005070357.db2.gz DFIYNZOZFXAOLQ-TXCZRRACSA-N 2 1 402.892 3.795 20 0 HHADMP C[C@@H](NC(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1)C1=CC[NH+](C)CC1 ZINC000511253162 1005093127 /nfs/dbraw/zinc/09/31/27/1005093127.db2.gz NENDJAYBUVDURX-JOCHJYFZSA-N 2 1 420.601 3.981 20 0 HHADMP C[C@@H](NC(=O)N(CC[NH+](C)Cc1ccccc1)Cc1ccccc1)C1=CC[N@H+](C)CC1 ZINC000511253162 1005093131 /nfs/dbraw/zinc/09/31/31/1005093131.db2.gz NENDJAYBUVDURX-JOCHJYFZSA-N 2 1 420.601 3.981 20 0 HHADMP C[C@@H](NC(=O)N(CC[NH+](C)Cc1ccccc1)Cc1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000511253162 1005093134 /nfs/dbraw/zinc/09/31/34/1005093134.db2.gz NENDJAYBUVDURX-JOCHJYFZSA-N 2 1 420.601 3.981 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000513733873 1005101717 /nfs/dbraw/zinc/10/17/17/1005101717.db2.gz XFBYGFGKHWBQCQ-UHFFFAOYSA-N 2 1 422.617 3.941 20 0 HHADMP COc1ccc([C@@H](Cc2ccncc2)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000513755142 1005111184 /nfs/dbraw/zinc/11/11/84/1005111184.db2.gz PWVRLGFOJBZTNM-AREMUKBSSA-N 2 1 417.553 3.996 20 0 HHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000513756464 1005111521 /nfs/dbraw/zinc/11/15/21/1005111521.db2.gz GFJNPSMWDDRAPA-XMMPIXPASA-N 2 1 409.574 3.549 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)cc1)C1CC1 ZINC000502577490 1005126205 /nfs/dbraw/zinc/12/62/05/1005126205.db2.gz CJDWGUSPEJPYGX-UHFFFAOYSA-N 2 1 413.606 3.824 20 0 HHADMP C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511410259 1005164513 /nfs/dbraw/zinc/16/45/13/1005164513.db2.gz NTDRUGZQURRYRR-PMVMPFDFSA-N 2 1 412.622 3.503 20 0 HHADMP C[C@H](NC(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511410259 1005164516 /nfs/dbraw/zinc/16/45/16/1005164516.db2.gz NTDRUGZQURRYRR-PMVMPFDFSA-N 2 1 412.622 3.503 20 0 HHADMP C[C@H](NC(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511410259 1005164517 /nfs/dbraw/zinc/16/45/17/1005164517.db2.gz NTDRUGZQURRYRR-PMVMPFDFSA-N 2 1 412.622 3.503 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000513891125 1005175312 /nfs/dbraw/zinc/17/53/12/1005175312.db2.gz APBKVIVHZACPIS-FGCOXFRFSA-N 2 1 406.574 3.958 20 0 HHADMP C[C@@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511439991 1005177386 /nfs/dbraw/zinc/17/73/86/1005177386.db2.gz UKTAAPMOLZIFFO-QUCCMNQESA-N 2 1 418.651 3.912 20 0 HHADMP O=C([C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000511505718 1005204411 /nfs/dbraw/zinc/20/44/11/1005204411.db2.gz FCLFKLVIRXNGPQ-NHCUHLMSSA-N 2 1 405.533 3.621 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000502829074 1005235519 /nfs/dbraw/zinc/23/55/19/1005235519.db2.gz PVEPKWSZWMDKCZ-MQSCRBSSSA-N 2 1 400.611 3.708 20 0 HHADMP COc1cccc([C@H](CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)[NH+]2CCCC2)c1 ZINC000502843700 1005241436 /nfs/dbraw/zinc/24/14/36/1005241436.db2.gz JPRXXRPXNIPTDH-REWPJTCUSA-N 2 1 416.610 3.786 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)C1 ZINC000502856235 1005245902 /nfs/dbraw/zinc/24/59/02/1005245902.db2.gz AGWIVYCQPYTGKC-HXUWFJFHSA-N 2 1 400.611 3.635 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000502856235 1005245907 /nfs/dbraw/zinc/24/59/07/1005245907.db2.gz AGWIVYCQPYTGKC-HXUWFJFHSA-N 2 1 400.611 3.635 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)C1 ZINC000502856235 1005245914 /nfs/dbraw/zinc/24/59/14/1005245914.db2.gz AGWIVYCQPYTGKC-HXUWFJFHSA-N 2 1 400.611 3.635 20 0 HHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1-n1ccnn1 ZINC000514096972 1005263955 /nfs/dbraw/zinc/26/39/55/1005263955.db2.gz YYZHEOGMTDTDRB-ZCNNSNEGSA-N 2 1 405.546 3.727 20 0 HHADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000514154830 1005292084 /nfs/dbraw/zinc/29/20/84/1005292084.db2.gz YTCFQHWIZDKDMR-VWLOTQADSA-N 2 1 420.601 3.611 20 0 HHADMP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000514154830 1005292089 /nfs/dbraw/zinc/29/20/89/1005292089.db2.gz YTCFQHWIZDKDMR-VWLOTQADSA-N 2 1 420.601 3.611 20 0 HHADMP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000514154830 1005292094 /nfs/dbraw/zinc/29/20/94/1005292094.db2.gz YTCFQHWIZDKDMR-VWLOTQADSA-N 2 1 420.601 3.611 20 0 HHADMP CCc1ccc([C@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)[NH+](C)C)cc1 ZINC000514166883 1005296374 /nfs/dbraw/zinc/29/63/74/1005296374.db2.gz HXHFOVACBMFOPO-QHCPKHFHSA-N 2 1 423.536 3.984 20 0 HHADMP Cc1ccccc1C[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000514185038 1005302990 /nfs/dbraw/zinc/30/29/90/1005302990.db2.gz BUTZNGHGDLBPQV-RUZDIDTESA-N 2 1 405.586 3.914 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000514235587 1005325610 /nfs/dbraw/zinc/32/56/10/1005325610.db2.gz FSHGQIFCXWFULH-DHIUTWEWSA-N 2 1 415.626 3.588 20 0 HHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000514243275 1005329385 /nfs/dbraw/zinc/32/93/85/1005329385.db2.gz QOKNESLSOFWUET-VWLOTQADSA-N 2 1 417.553 3.907 20 0 HHADMP C[C@@H]1CCN(CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)C[C@@H]1n1ccnc1 ZINC000503078830 1005341352 /nfs/dbraw/zinc/34/13/52/1005341352.db2.gz ABXYFBPUQVJRPZ-ZPZUNKDASA-N 2 1 414.553 3.940 20 0 HHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000503088566 1005344450 /nfs/dbraw/zinc/34/44/50/1005344450.db2.gz SNEYHXUTKQCYCT-INIZCTEOSA-N 2 1 406.456 3.913 20 0 HHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000503088566 1005344454 /nfs/dbraw/zinc/34/44/54/1005344454.db2.gz SNEYHXUTKQCYCT-INIZCTEOSA-N 2 1 406.456 3.913 20 0 HHADMP CN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000503110581 1005349793 /nfs/dbraw/zinc/34/97/93/1005349793.db2.gz MEDCIQOFCUOXGS-HSZRJFAPSA-N 2 1 406.574 3.567 20 0 HHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)C2)CC1 ZINC000503386194 1005404723 /nfs/dbraw/zinc/40/47/23/1005404723.db2.gz LPFULXDPWAZEER-XPWALMASSA-N 2 1 406.659 3.898 20 0 HHADMP C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)CC[C@@H]3CCCC[NH+]3C)cc2)C[C@H]1C ZINC000503430495 1005418056 /nfs/dbraw/zinc/41/80/56/1005418056.db2.gz RTLHGXFNZBASFD-XJUOHMSHSA-N 2 1 415.622 3.576 20 0 HHADMP C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)CC[C@@H]3CCCC[N@@H+]3C)cc2)C[C@H]1C ZINC000503430495 1005418059 /nfs/dbraw/zinc/41/80/59/1005418059.db2.gz RTLHGXFNZBASFD-XJUOHMSHSA-N 2 1 415.622 3.576 20 0 HHADMP C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)CC[C@@H]3CCCC[N@H+]3C)cc2)C[C@H]1C ZINC000503430495 1005418061 /nfs/dbraw/zinc/41/80/61/1005418061.db2.gz RTLHGXFNZBASFD-XJUOHMSHSA-N 2 1 415.622 3.576 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)o1 ZINC000504024419 1005535140 /nfs/dbraw/zinc/53/51/40/1005535140.db2.gz JMEOXTRXKBKSNR-FQEVSTJZSA-N 2 1 401.526 3.530 20 0 HHADMP O=C(N[C@H]1CC[NH+]2CCC[C@H]2C1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000504289825 1005590298 /nfs/dbraw/zinc/59/02/98/1005590298.db2.gz PNEMTELSQJBAQK-PMACEKPBSA-N 2 1 424.511 3.550 20 0 HHADMP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000504289825 1005590303 /nfs/dbraw/zinc/59/03/03/1005590303.db2.gz PNEMTELSQJBAQK-PMACEKPBSA-N 2 1 424.511 3.550 20 0 HHADMP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000504289825 1005590307 /nfs/dbraw/zinc/59/03/07/1005590307.db2.gz PNEMTELSQJBAQK-PMACEKPBSA-N 2 1 424.511 3.550 20 0 HHADMP O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000504289826 1005590362 /nfs/dbraw/zinc/59/03/62/1005590362.db2.gz PNEMTELSQJBAQK-UXHICEINSA-N 2 1 424.511 3.550 20 0 HHADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000504289826 1005590365 /nfs/dbraw/zinc/59/03/65/1005590365.db2.gz PNEMTELSQJBAQK-UXHICEINSA-N 2 1 424.511 3.550 20 0 HHADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000504289826 1005590367 /nfs/dbraw/zinc/59/03/67/1005590367.db2.gz PNEMTELSQJBAQK-UXHICEINSA-N 2 1 424.511 3.550 20 0 HHADMP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000504296838 1005591659 /nfs/dbraw/zinc/59/16/59/1005591659.db2.gz VEWGWQILTYJHQC-PKTZIBPZSA-N 2 1 406.574 3.841 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(CC[NH+](C)C)Cc2ccccn2)C1 ZINC000504398766 1005618717 /nfs/dbraw/zinc/61/87/17/1005618717.db2.gz IICGTWCVBORQJI-OAQYLSRUSA-N 2 1 423.605 3.587 20 0 HHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2c1cc(Cl)cc2Br ZINC000534058115 1006029369 /nfs/dbraw/zinc/02/93/69/1006029369.db2.gz PWJJPQHDFPLCCK-KDOFPFPSSA-N 2 1 401.776 3.916 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000531207278 1006047343 /nfs/dbraw/zinc/04/73/43/1006047343.db2.gz GSLFYOCGIIUCJF-SIKLNZKXSA-N 2 1 412.603 3.867 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc(Br)c3C)CC2)CC1 ZINC000534133454 1006112651 /nfs/dbraw/zinc/11/26/51/1006112651.db2.gz JDLCDTCYFYFNPF-UHFFFAOYSA-N 2 1 422.411 3.524 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(OCC(F)F)c1 ZINC000514762225 1006114605 /nfs/dbraw/zinc/11/46/05/1006114605.db2.gz IXPYSJFCRIDYIJ-SFHVURJKSA-N 2 1 412.525 3.519 20 0 HHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000531380231 1006163161 /nfs/dbraw/zinc/16/31/61/1006163161.db2.gz UWERBAZQRBSVIF-UHFFFAOYSA-N 2 1 408.498 3.982 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000531395447 1006170945 /nfs/dbraw/zinc/17/09/45/1006170945.db2.gz KVXKYYIATSRBLA-OFNKIYASSA-N 2 1 400.611 3.659 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000531395447 1006170949 /nfs/dbraw/zinc/17/09/49/1006170949.db2.gz KVXKYYIATSRBLA-OFNKIYASSA-N 2 1 400.611 3.659 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000531395447 1006170954 /nfs/dbraw/zinc/17/09/54/1006170954.db2.gz KVXKYYIATSRBLA-OFNKIYASSA-N 2 1 400.611 3.659 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[NH+](C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)c2cc1C ZINC000531427358 1006188316 /nfs/dbraw/zinc/18/83/16/1006188316.db2.gz ICRODQAYBJGIAF-GMKZXUHWSA-N 2 1 420.601 3.999 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[NH+](C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)c2cc1C ZINC000531427358 1006188321 /nfs/dbraw/zinc/18/83/21/1006188321.db2.gz ICRODQAYBJGIAF-GMKZXUHWSA-N 2 1 420.601 3.999 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[N@@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)c2cc1C ZINC000531427358 1006188328 /nfs/dbraw/zinc/18/83/28/1006188328.db2.gz ICRODQAYBJGIAF-GMKZXUHWSA-N 2 1 420.601 3.999 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[N@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)c2cc1C ZINC000531427358 1006188333 /nfs/dbraw/zinc/18/83/33/1006188333.db2.gz ICRODQAYBJGIAF-GMKZXUHWSA-N 2 1 420.601 3.999 20 0 HHADMP C[NH+](C)CC1CCC(NC(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534206985 1006199673 /nfs/dbraw/zinc/19/96/73/1006199673.db2.gz KIBOQRAZRJUXDD-RJYYHGSASA-N 2 1 424.992 3.892 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000531455230 1006208095 /nfs/dbraw/zinc/20/80/95/1006208095.db2.gz RFKJEFJPNWWCPM-REWPJTCUSA-N 2 1 406.574 3.633 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000534248769 1006256193 /nfs/dbraw/zinc/25/61/93/1006256193.db2.gz ACPJUXPNRJEORY-GWKIZSTFSA-N 2 1 424.992 3.844 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000534248769 1006256197 /nfs/dbraw/zinc/25/61/97/1006256197.db2.gz ACPJUXPNRJEORY-GWKIZSTFSA-N 2 1 424.992 3.844 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000534248769 1006256199 /nfs/dbraw/zinc/25/61/99/1006256199.db2.gz ACPJUXPNRJEORY-GWKIZSTFSA-N 2 1 424.992 3.844 20 0 HHADMP C[NH+](C)CCN(C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000534250802 1006258284 /nfs/dbraw/zinc/25/82/84/1006258284.db2.gz MTESSPSJGSNAII-UTKZUKDTSA-N 2 1 424.992 3.988 20 0 HHADMP Cc1cc(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)ccc1Oc1ccc(F)cc1 ZINC000531629356 1006315896 /nfs/dbraw/zinc/31/58/96/1006315896.db2.gz CXLSIDFHIRGHTQ-UHFFFAOYSA-N 2 1 421.520 3.758 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000531721446 1006378142 /nfs/dbraw/zinc/37/81/42/1006378142.db2.gz QAWWVYCTYTWWQM-QXWFJRNPSA-N 2 1 404.558 3.714 20 0 HHADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531931947 1006528235 /nfs/dbraw/zinc/52/82/35/1006528235.db2.gz WBKYBMQOMSSGFK-VQIMIIECSA-N 2 1 421.010 3.697 20 0 HHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC000531939637 1006533115 /nfs/dbraw/zinc/53/31/15/1006533115.db2.gz FOIXPWXYEKTAGW-NTKDMRAZSA-N 2 1 406.574 3.601 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1 ZINC000531950789 1006539409 /nfs/dbraw/zinc/53/94/09/1006539409.db2.gz GSJNDZBTEXKVEA-MHECFPHRSA-N 2 1 418.541 3.940 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000515576297 1006544808 /nfs/dbraw/zinc/54/48/08/1006544808.db2.gz OUPJTXNZGBAFMX-CVEARBPZSA-N 2 1 405.329 3.882 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCN2CCN(C(=O)C3CCCCC3)CC2)cc1 ZINC000531973425 1006554376 /nfs/dbraw/zinc/55/43/76/1006554376.db2.gz JUFUWFYCXSSMEX-FQEVSTJZSA-N 2 1 423.605 3.556 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000531995294 1006566571 /nfs/dbraw/zinc/56/65/71/1006566571.db2.gz MTYUHVMYWXLRRN-IBGZPJMESA-N 3 1 404.558 3.988 20 0 HHADMP CCCOc1c(Cl)cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1OCC ZINC000532016089 1006578007 /nfs/dbraw/zinc/57/80/07/1006578007.db2.gz PLGJROULZYIOEY-WOJBJXKFSA-N 2 1 410.986 3.995 20 0 HHADMP CCCOc1c(Cl)cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1OCC ZINC000532016087 1006578105 /nfs/dbraw/zinc/57/81/05/1006578105.db2.gz PLGJROULZYIOEY-UXHICEINSA-N 2 1 410.986 3.995 20 0 HHADMP Cc1ccc(OC(F)F)c(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000532046618 1006598594 /nfs/dbraw/zinc/59/85/94/1006598594.db2.gz WPZUCNYHFYBQEN-LJQANCHMSA-N 2 1 417.500 3.584 20 0 HHADMP C[C@@H]1C[C@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000532105689 1006638998 /nfs/dbraw/zinc/63/89/98/1006638998.db2.gz QKSWNNPUPZJJAA-QPPBQGQZSA-N 2 1 406.618 3.970 20 0 HHADMP C[C@@H]1C[C@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000532105689 1006639001 /nfs/dbraw/zinc/63/90/01/1006639001.db2.gz QKSWNNPUPZJJAA-QPPBQGQZSA-N 2 1 406.618 3.970 20 0 HHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000532192410 1006710865 /nfs/dbraw/zinc/71/08/65/1006710865.db2.gz SRPLYIRGXRFZRL-FQEVSTJZSA-N 2 1 409.574 3.836 20 0 HHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000532201050 1006716603 /nfs/dbraw/zinc/71/66/03/1006716603.db2.gz BCQRBXDVKKJZHE-OTWHNJEPSA-N 2 1 416.587 3.550 20 0 HHADMP C[C@H]1CN([C@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)c2c(F)cccc2Cl)CCO1 ZINC000532202234 1006717807 /nfs/dbraw/zinc/71/78/07/1006717807.db2.gz NFIOUTMXOQLRTG-HRAATJIYSA-N 2 1 409.977 3.705 20 0 HHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCNc3ccc(-c4ccccc4)nn3)CC2)cc1 ZINC000532205298 1006719660 /nfs/dbraw/zinc/71/96/60/1006719660.db2.gz KEUBEBOPHPIPEH-UHFFFAOYSA-N 2 1 419.548 3.991 20 0 HHADMP COc1ccc([C@H](C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)N2CCOCC2)cc1 ZINC000532204143 1006719812 /nfs/dbraw/zinc/71/98/12/1006719812.db2.gz IGFJAAKJLASGDX-YNJKOYDBSA-N 2 1 415.622 3.701 20 0 HHADMP CC(=O)c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000515874123 1006729556 /nfs/dbraw/zinc/72/95/56/1006729556.db2.gz FDENRCGDCCAHII-YADARESESA-N 2 1 410.558 3.651 20 0 HHADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000532232292 1006738167 /nfs/dbraw/zinc/73/81/67/1006738167.db2.gz DVDZPOOYTWBCRW-WZONZLPQSA-N 2 1 415.965 3.592 20 0 HHADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000532232292 1006738176 /nfs/dbraw/zinc/73/81/76/1006738176.db2.gz DVDZPOOYTWBCRW-WZONZLPQSA-N 2 1 415.965 3.592 20 0 HHADMP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000532485021 1006925736 /nfs/dbraw/zinc/92/57/36/1006925736.db2.gz GCAKCXKDDFXETN-MRXNPFEDSA-N 2 1 413.484 3.657 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N(C)CC[NH+]2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538661368 1006935379 /nfs/dbraw/zinc/93/53/79/1006935379.db2.gz DTWSHTNXTMZZSG-UXHICEINSA-N 2 1 410.965 3.740 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N(C)CC[NH+]2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538661368 1006935390 /nfs/dbraw/zinc/93/53/90/1006935390.db2.gz DTWSHTNXTMZZSG-UXHICEINSA-N 2 1 410.965 3.740 20 0 HHADMP C[NH+](C)C1(CNC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCCC1 ZINC000534943343 1006985623 /nfs/dbraw/zinc/98/56/23/1006985623.db2.gz UHXBRLPIGQLWBI-VQIMIIECSA-N 2 1 410.965 3.646 20 0 HHADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000532556604 1006990320 /nfs/dbraw/zinc/99/03/20/1006990320.db2.gz QHNHCMYRSLEGQA-JOCHJYFZSA-N 2 1 403.574 3.603 20 0 HHADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000532556604 1006990337 /nfs/dbraw/zinc/99/03/37/1006990337.db2.gz QHNHCMYRSLEGQA-JOCHJYFZSA-N 2 1 403.574 3.603 20 0 HHADMP c1c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000538719936 1006993186 /nfs/dbraw/zinc/99/31/86/1006993186.db2.gz SZBLYQIWOMFONX-JOCHJYFZSA-N 2 1 401.558 3.911 20 0 HHADMP c1c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000538719936 1006993201 /nfs/dbraw/zinc/99/32/01/1006993201.db2.gz SZBLYQIWOMFONX-JOCHJYFZSA-N 2 1 401.558 3.911 20 0 HHADMP C[C@@H]1C[N@H+](Cc2c(OC(F)F)ccc3ccccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000538724318 1007002591 /nfs/dbraw/zinc/00/25/91/1007002591.db2.gz DPRIXBFTKQZLAU-UTKZUKDTSA-N 2 1 403.517 3.899 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2c(OC(F)F)ccc3ccccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000538724318 1007002605 /nfs/dbraw/zinc/00/26/05/1007002605.db2.gz DPRIXBFTKQZLAU-UTKZUKDTSA-N 2 1 403.517 3.899 20 0 HHADMP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1ccccc1C(=O)c1ccccc1 ZINC000532572291 1007004233 /nfs/dbraw/zinc/00/42/33/1007004233.db2.gz AOMXXWDRNALKMA-FQEVSTJZSA-N 2 1 405.542 3.664 20 0 HHADMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1ccccc1C(=O)c1ccccc1 ZINC000532572291 1007004250 /nfs/dbraw/zinc/00/42/50/1007004250.db2.gz AOMXXWDRNALKMA-FQEVSTJZSA-N 2 1 405.542 3.664 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534959563 1007006361 /nfs/dbraw/zinc/00/63/61/1007006361.db2.gz BIKPXUWCUILYMZ-PLMTUMEDSA-N 2 1 424.992 3.892 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534959563 1007006371 /nfs/dbraw/zinc/00/63/71/1007006371.db2.gz BIKPXUWCUILYMZ-PLMTUMEDSA-N 2 1 424.992 3.892 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534959563 1007006384 /nfs/dbraw/zinc/00/63/84/1007006384.db2.gz BIKPXUWCUILYMZ-PLMTUMEDSA-N 2 1 424.992 3.892 20 0 HHADMP C[N@@H+](CCNC(=O)NC[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000534963303 1007013600 /nfs/dbraw/zinc/01/36/00/1007013600.db2.gz YXZSTTQWPRUUBS-OXJNMPFZSA-N 2 1 410.965 3.646 20 0 HHADMP C[NH+](CCNC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000534963303 1007013611 /nfs/dbraw/zinc/01/36/11/1007013611.db2.gz YXZSTTQWPRUUBS-OXJNMPFZSA-N 2 1 410.965 3.646 20 0 HHADMP C[NH+](CCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000534963303 1007013623 /nfs/dbraw/zinc/01/36/23/1007013623.db2.gz YXZSTTQWPRUUBS-OXJNMPFZSA-N 2 1 410.965 3.646 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC000538734520 1007016263 /nfs/dbraw/zinc/01/62/63/1007016263.db2.gz HSTABCBIAVQCJY-LOSJGSFVSA-N 2 1 405.586 3.750 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC000538734519 1007016540 /nfs/dbraw/zinc/01/65/40/1007016540.db2.gz HSTABCBIAVQCJY-JWQCQUIFSA-N 2 1 405.586 3.750 20 0 HHADMP CN(c1ccccc1C[N@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1)C1CC[NH+](C)CC1 ZINC000538760144 1007043743 /nfs/dbraw/zinc/04/37/43/1007043743.db2.gz UQYWAJWDIHRPCY-HXUWFJFHSA-N 2 1 409.578 3.857 20 0 HHADMP C[C@@H]1CC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000538760100 1007044369 /nfs/dbraw/zinc/04/43/69/1007044369.db2.gz RFKPXPXBPDVMEE-UZLBHIALSA-N 2 1 419.495 3.830 20 0 HHADMP C[C@@H]1CC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000538760100 1007044375 /nfs/dbraw/zinc/04/43/75/1007044375.db2.gz RFKPXPXBPDVMEE-UZLBHIALSA-N 2 1 419.495 3.830 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000534987229 1007046194 /nfs/dbraw/zinc/04/61/94/1007046194.db2.gz CDBJFWGZGWKIQA-WVSUBDOOSA-N 2 1 410.965 3.596 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC[NH+]1C ZINC000534987229 1007046208 /nfs/dbraw/zinc/04/62/08/1007046208.db2.gz CDBJFWGZGWKIQA-WVSUBDOOSA-N 2 1 410.965 3.596 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC[NH+]1C ZINC000534987229 1007046225 /nfs/dbraw/zinc/04/62/25/1007046225.db2.gz CDBJFWGZGWKIQA-WVSUBDOOSA-N 2 1 410.965 3.596 20 0 HHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000538796209 1007076997 /nfs/dbraw/zinc/07/69/97/1007076997.db2.gz USOZYDAIGMJURR-BAGYTPMASA-N 2 1 402.970 3.826 20 0 HHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000538796209 1007077010 /nfs/dbraw/zinc/07/70/10/1007077010.db2.gz USOZYDAIGMJURR-BAGYTPMASA-N 2 1 402.970 3.826 20 0 HHADMP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000516509089 1007119150 /nfs/dbraw/zinc/11/91/50/1007119150.db2.gz UWBVHHHFWNWPMA-SFHVURJKSA-N 2 1 420.351 3.788 20 0 HHADMP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538942346 1007225678 /nfs/dbraw/zinc/22/56/78/1007225678.db2.gz DHGRBGRWUWHMFT-OAQYLSRUSA-N 2 1 408.590 3.975 20 0 HHADMP Cc1sc2nc(C[NH+]3CCC(CC[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)nc(N)c2c1C ZINC000538966925 1007258007 /nfs/dbraw/zinc/25/80/07/1007258007.db2.gz MMBJSOSNWGSRPC-GJZGRUSLSA-N 2 1 417.623 3.602 20 0 HHADMP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000532956655 1007323056 /nfs/dbraw/zinc/32/30/56/1007323056.db2.gz CWACNOQXJUXNPV-UWHLTILDSA-N 2 1 413.606 3.564 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000532968107 1007335164 /nfs/dbraw/zinc/33/51/64/1007335164.db2.gz SUPFUMAESLLXSI-NRFANRHFSA-N 2 1 409.578 3.768 20 0 HHADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000539062582 1007355528 /nfs/dbraw/zinc/35/55/28/1007355528.db2.gz WPTDINBUUCWADK-GUDVDZBRSA-N 2 1 409.368 3.630 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000539088025 1007376660 /nfs/dbraw/zinc/37/66/60/1007376660.db2.gz YJYSDYQHRKCNFS-VKZFYUIYSA-N 2 1 403.570 3.786 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000539088025 1007376671 /nfs/dbraw/zinc/37/66/71/1007376671.db2.gz YJYSDYQHRKCNFS-VKZFYUIYSA-N 2 1 403.570 3.786 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC[C@H](C3CCCCC3)[NH+](C)C)cc2)C[C@H](C)O1 ZINC000517089815 1007402524 /nfs/dbraw/zinc/40/25/24/1007402524.db2.gz DQUJEDDARHRQPX-SELNLUPBSA-N 2 1 401.595 3.536 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC[C@H](C3CCCCC3)[NH+](C)C)cc2)C[C@H](C)O1 ZINC000517089815 1007402532 /nfs/dbraw/zinc/40/25/32/1007402532.db2.gz DQUJEDDARHRQPX-SELNLUPBSA-N 2 1 401.595 3.536 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C[NH+]1Cc1ccccc1 ZINC000533119369 1007464347 /nfs/dbraw/zinc/46/43/47/1007464347.db2.gz PWRNWGNYBBABJK-VTZPFEBOSA-N 2 1 420.601 3.711 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C[N@@H+]1Cc1ccccc1 ZINC000533119369 1007464355 /nfs/dbraw/zinc/46/43/55/1007464355.db2.gz PWRNWGNYBBABJK-VTZPFEBOSA-N 2 1 420.601 3.711 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C[N@H+]1Cc1ccccc1 ZINC000533119369 1007464376 /nfs/dbraw/zinc/46/43/76/1007464376.db2.gz PWRNWGNYBBABJK-VTZPFEBOSA-N 2 1 420.601 3.711 20 0 HHADMP CC(C)[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000539163868 1007464533 /nfs/dbraw/zinc/46/45/33/1007464533.db2.gz JWQKLMVNZVPLJG-QHCPKHFHSA-N 2 1 408.546 3.768 20 0 HHADMP COc1cccc([C@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000539228693 1007521619 /nfs/dbraw/zinc/52/16/19/1007521619.db2.gz FRGDLDPVYVCXBX-HTAPYJJXSA-N 2 1 415.965 3.953 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535677585 1007704071 /nfs/dbraw/zinc/70/40/71/1007704071.db2.gz VLBQKLHKDFLQKA-FDJUCDQWSA-N 2 1 422.976 3.786 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535677585 1007704078 /nfs/dbraw/zinc/70/40/78/1007704078.db2.gz VLBQKLHKDFLQKA-FDJUCDQWSA-N 2 1 422.976 3.786 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535677585 1007704089 /nfs/dbraw/zinc/70/40/89/1007704089.db2.gz VLBQKLHKDFLQKA-FDJUCDQWSA-N 2 1 422.976 3.786 20 0 HHADMP CCOc1ccc(OC[C@H](O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000535681254 1007710740 /nfs/dbraw/zinc/71/07/40/1007710740.db2.gz ONTKCFUGQMEZKD-HSZRJFAPSA-N 2 1 424.585 3.813 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535684351 1007715582 /nfs/dbraw/zinc/71/55/82/1007715582.db2.gz UVCMNOQSPBAABU-OPYAIIAOSA-N 2 1 422.976 3.742 20 0 HHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)c2cccs2)CC1 ZINC000517524950 1007743935 /nfs/dbraw/zinc/74/39/35/1007743935.db2.gz CDGUNTBOXIYYSY-IBGZPJMESA-N 2 1 415.994 3.870 20 0 HHADMP COc1cc(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)ccc1OC(C)C ZINC000517539043 1007755188 /nfs/dbraw/zinc/75/51/88/1007755188.db2.gz YJKHYTWKMQKYBH-QHCPKHFHSA-N 2 1 411.590 3.951 20 0 HHADMP C[NH+]1Cc2ccccc2[C@@H](Nc2cc(N[C@H]3C[N@H+](C)Cc4ccccc43)ncn2)C1 ZINC000535739436 1007767018 /nfs/dbraw/zinc/76/70/18/1007767018.db2.gz HKUXUNLAPFMWQD-VXKWHMMOSA-N 2 1 400.530 3.674 20 0 HHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@H]3c3ccccc3)CC2)cc1 ZINC000539460806 1007772659 /nfs/dbraw/zinc/77/26/59/1007772659.db2.gz RIKIOCIJOMUTRZ-DEOSSOPVSA-N 2 1 407.558 3.567 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@H]3c3ccccc3)CC2)cc1 ZINC000539460806 1007772670 /nfs/dbraw/zinc/77/26/70/1007772670.db2.gz RIKIOCIJOMUTRZ-DEOSSOPVSA-N 2 1 407.558 3.567 20 0 HHADMP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3c3ccccc3)CC2)cc1 ZINC000539460806 1007772680 /nfs/dbraw/zinc/77/26/80/1007772680.db2.gz RIKIOCIJOMUTRZ-DEOSSOPVSA-N 2 1 407.558 3.567 20 0 HHADMP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCC[C@H]3c3ccccc3)CC2)cc1 ZINC000539460806 1007772693 /nfs/dbraw/zinc/77/26/93/1007772693.db2.gz RIKIOCIJOMUTRZ-DEOSSOPVSA-N 2 1 407.558 3.567 20 0 HHADMP CCOc1cccc([C@@H](C)[NH2+]CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)c1 ZINC000539490765 1007802243 /nfs/dbraw/zinc/80/22/43/1007802243.db2.gz KQHUSPMAOOBPLG-OAQYLSRUSA-N 2 1 409.574 3.779 20 0 HHADMP COc1ccc(Br)c(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000533497874 1007808536 /nfs/dbraw/zinc/80/85/36/1007808536.db2.gz JJWQGRPFNYHGQO-GOSISDBHSA-N 2 1 424.408 3.598 20 0 HHADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000517636940 1007846072 /nfs/dbraw/zinc/84/60/72/1007846072.db2.gz CESUFMHTBYIQFI-LSQMVHIFSA-N 2 1 424.633 3.947 20 0 HHADMP O=C(NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000517636940 1007846078 /nfs/dbraw/zinc/84/60/78/1007846078.db2.gz CESUFMHTBYIQFI-LSQMVHIFSA-N 2 1 424.633 3.947 20 0 HHADMP O=C(NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000517636940 1007846086 /nfs/dbraw/zinc/84/60/86/1007846086.db2.gz CESUFMHTBYIQFI-LSQMVHIFSA-N 2 1 424.633 3.947 20 0 HHADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000517636941 1007846482 /nfs/dbraw/zinc/84/64/82/1007846482.db2.gz CESUFMHTBYIQFI-SONWIMMPSA-N 2 1 424.633 3.947 20 0 HHADMP O=C(NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000517636941 1007846492 /nfs/dbraw/zinc/84/64/92/1007846492.db2.gz CESUFMHTBYIQFI-SONWIMMPSA-N 2 1 424.633 3.947 20 0 HHADMP O=C(NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000517636941 1007846532 /nfs/dbraw/zinc/84/65/32/1007846532.db2.gz CESUFMHTBYIQFI-SONWIMMPSA-N 2 1 424.633 3.947 20 0 HHADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(OCc4cccnc4)cc3)CC2)CC1 ZINC000533537359 1007859758 /nfs/dbraw/zinc/85/97/58/1007859758.db2.gz HVEYVVRSZAWWIC-UHFFFAOYSA-N 2 1 408.590 3.651 20 0 HHADMP CCOCCC[N@H+]1CC[C@H](Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)[C@@H](C)C1 ZINC000539645965 1007962086 /nfs/dbraw/zinc/96/20/86/1007962086.db2.gz XGIXLCAWFGDVKY-URXFXBBRSA-N 2 1 402.627 3.766 20 0 HHADMP CCOCCC[N@H+]1CC[C@H](Nc2cccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)c2)[C@H](C)C1 ZINC000539690437 1008009456 /nfs/dbraw/zinc/00/94/56/1008009456.db2.gz QEQDGUGQCYXXQU-YOEKFXIASA-N 2 1 403.611 3.845 20 0 HHADMP CCOCCC[NH+]1CC[C@H](Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)[C@H](C)C1 ZINC000539690437 1008009462 /nfs/dbraw/zinc/00/94/62/1008009462.db2.gz QEQDGUGQCYXXQU-YOEKFXIASA-N 2 1 403.611 3.845 20 0 HHADMP CCOCCC[NH+]1CC[C@H](Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)[C@H](C)C1 ZINC000539690437 1008009467 /nfs/dbraw/zinc/00/94/67/1008009467.db2.gz QEQDGUGQCYXXQU-YOEKFXIASA-N 2 1 403.611 3.845 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2)C1 ZINC000517918047 1008056516 /nfs/dbraw/zinc/05/65/16/1008056516.db2.gz VDLBBXAITBKALJ-ZFGGDYGUSA-N 2 1 412.622 3.934 20 0 HHADMP Cc1ncc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)n1-c1ccccc1 ZINC000539823774 1008118503 /nfs/dbraw/zinc/11/85/03/1008118503.db2.gz QRDYIJVXTHSDJN-UHFFFAOYSA-N 2 1 409.622 3.809 20 0 HHADMP Cn1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000539852283 1008141421 /nfs/dbraw/zinc/14/14/21/1008141421.db2.gz SKKDCQKPRLHDHO-LJQANCHMSA-N 2 1 410.562 3.556 20 0 HHADMP Cn1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000539852283 1008141427 /nfs/dbraw/zinc/14/14/27/1008141427.db2.gz SKKDCQKPRLHDHO-LJQANCHMSA-N 2 1 410.562 3.556 20 0 HHADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccccc3OCc3ccncc3)CC2)CC1 ZINC000539861226 1008146406 /nfs/dbraw/zinc/14/64/06/1008146406.db2.gz FQOWNSXEBKXXBH-UHFFFAOYSA-N 2 1 408.590 3.651 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[NH+]1CCCC1 ZINC000533958646 1008233665 /nfs/dbraw/zinc/23/36/65/1008233665.db2.gz ZJNQDZAVJJXING-WPFOTENUSA-N 2 1 422.573 3.577 20 0 HHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1)CC1CC1 ZINC000540016187 1008239196 /nfs/dbraw/zinc/23/91/96/1008239196.db2.gz QEXMLIXLBRLXGI-NRFANRHFSA-N 2 1 406.640 3.894 20 0 HHADMP C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045471 1008254751 /nfs/dbraw/zinc/25/47/51/1008254751.db2.gz PAOPDFVUXPZNSB-PMACEKPBSA-N 2 1 406.574 3.986 20 0 HHADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1)CC1CC1 ZINC000540047011 1008256857 /nfs/dbraw/zinc/25/68/57/1008256857.db2.gz LCDNXPWREHVEKT-CVDCTZTESA-N 2 1 413.606 3.849 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000518442597 1008308051 /nfs/dbraw/zinc/30/80/51/1008308051.db2.gz XQSGHYXNQVNWBF-NRFANRHFSA-N 2 1 408.590 3.779 20 0 HHADMP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000518451109 1008312966 /nfs/dbraw/zinc/31/29/66/1008312966.db2.gz IGOHDMKLGGILNH-JOCHJYFZSA-N 2 1 420.601 3.835 20 0 HHADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000518451109 1008312969 /nfs/dbraw/zinc/31/29/69/1008312969.db2.gz IGOHDMKLGGILNH-JOCHJYFZSA-N 2 1 420.601 3.835 20 0 HHADMP COc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)ccc1S(C)(=O)=O ZINC000540170342 1008320854 /nfs/dbraw/zinc/32/08/54/1008320854.db2.gz QAUJXPFEOIXLRB-QGZVFWFLSA-N 2 1 404.576 3.790 20 0 HHADMP O=C(c1ccccc1)N1CCC([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000540174962 1008322635 /nfs/dbraw/zinc/32/26/35/1008322635.db2.gz CSOWGVNKXMECNH-UHFFFAOYSA-N 2 1 409.549 3.727 20 0 HHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000540246011 1008350941 /nfs/dbraw/zinc/35/09/41/1008350941.db2.gz BXWKYZGROCSWPD-CALCHBBNSA-N 2 1 400.485 3.796 20 0 HHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000540246011 1008350944 /nfs/dbraw/zinc/35/09/44/1008350944.db2.gz BXWKYZGROCSWPD-CALCHBBNSA-N 2 1 400.485 3.796 20 0 HHADMP O[C@]1(C[NH2+][C@H]2CCc3c2cccc3Br)CC[N@H+](Cc2ccccc2)C1 ZINC000540316779 1008377350 /nfs/dbraw/zinc/37/73/50/1008377350.db2.gz RCPPEHIDTVMZIY-SFTDATJTSA-N 2 1 401.348 3.663 20 0 HHADMP O[C@]1(C[NH2+][C@H]2CCc3c2cccc3Br)CC[N@@H+](Cc2ccccc2)C1 ZINC000540316779 1008377353 /nfs/dbraw/zinc/37/73/53/1008377353.db2.gz RCPPEHIDTVMZIY-SFTDATJTSA-N 2 1 401.348 3.663 20 0 HHADMP C[N@@H+](CCCn1ccnc1)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000540348664 1008392091 /nfs/dbraw/zinc/39/20/91/1008392091.db2.gz SKLFYAQJPFHUOY-UHFFFAOYSA-N 2 1 419.245 3.625 20 0 HHADMP CN(CCCn1ccnc1)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000540348664 1008392094 /nfs/dbraw/zinc/39/20/94/1008392094.db2.gz SKLFYAQJPFHUOY-UHFFFAOYSA-N 2 1 419.245 3.625 20 0 HHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000518822686 1008434501 /nfs/dbraw/zinc/43/45/01/1008434501.db2.gz JPPRSRBNZTZOKU-UHFFFAOYSA-N 2 1 414.619 3.774 20 0 HHADMP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000518835806 1008439668 /nfs/dbraw/zinc/43/96/68/1008439668.db2.gz NCRBPJNONLGJGW-ACRUOGEOSA-N 2 1 404.986 3.621 20 0 HHADMP O=C(NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000518835806 1008439669 /nfs/dbraw/zinc/43/96/69/1008439669.db2.gz NCRBPJNONLGJGW-ACRUOGEOSA-N 2 1 404.986 3.621 20 0 HHADMP O=C(NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000518835806 1008439670 /nfs/dbraw/zinc/43/96/70/1008439670.db2.gz NCRBPJNONLGJGW-ACRUOGEOSA-N 2 1 404.986 3.621 20 0 HHADMP Cc1c(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cccc1N(C)C ZINC000540523237 1008466016 /nfs/dbraw/zinc/46/60/16/1008466016.db2.gz IEHCHCBAXBRVPA-UHFFFAOYSA-N 2 1 415.626 3.721 20 0 HHADMP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000519012093 1008500916 /nfs/dbraw/zinc/50/09/16/1008500916.db2.gz OPOLGMPKKLPKDQ-KKUQBAQOSA-N 3 1 412.666 3.540 20 0 HHADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000519012093 1008500920 /nfs/dbraw/zinc/50/09/20/1008500920.db2.gz OPOLGMPKKLPKDQ-KKUQBAQOSA-N 3 1 412.666 3.540 20 0 HHADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000519012093 1008500923 /nfs/dbraw/zinc/50/09/23/1008500923.db2.gz OPOLGMPKKLPKDQ-KKUQBAQOSA-N 3 1 412.666 3.540 20 0 HHADMP CCCn1c(C)c(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c2cc(OC)ccc21 ZINC000519079135 1008521983 /nfs/dbraw/zinc/52/19/83/1008521983.db2.gz SEHAGNKJCJPZSO-UHFFFAOYSA-N 2 1 421.545 3.767 20 0 HHADMP Cc1ccc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(-c2cnn(C)c2)c1 ZINC000548981771 1008560360 /nfs/dbraw/zinc/56/03/60/1008560360.db2.gz BIWYPHMXRVIDNX-XMMPIXPASA-N 2 1 404.558 3.776 20 0 HHADMP Cc1ccc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(-c2cnn(C)c2)c1 ZINC000548981771 1008560373 /nfs/dbraw/zinc/56/03/73/1008560373.db2.gz BIWYPHMXRVIDNX-XMMPIXPASA-N 2 1 404.558 3.776 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NCC2(C[NH+](C)C)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000545448721 1008561873 /nfs/dbraw/zinc/56/18/73/1008561873.db2.gz XTKTXWRUXPVVAK-IFMALSPDSA-N 2 1 400.611 3.803 20 0 HHADMP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000543063972 1008641823 /nfs/dbraw/zinc/64/18/23/1008641823.db2.gz TXRDNRMNZIQQNO-TZUVLKIQSA-N 2 1 421.607 3.864 20 0 HHADMP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000543063972 1008641828 /nfs/dbraw/zinc/64/18/28/1008641828.db2.gz TXRDNRMNZIQQNO-TZUVLKIQSA-N 2 1 421.607 3.864 20 0 HHADMP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC)C1 ZINC000543074775 1008652317 /nfs/dbraw/zinc/65/23/17/1008652317.db2.gz XLWGUOLFZJBQFE-RHSMWYFYSA-N 2 1 409.596 3.580 20 0 HHADMP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000543078517 1008656033 /nfs/dbraw/zinc/65/60/33/1008656033.db2.gz WCOYORHWXATEJQ-YYDVJCTNSA-N 2 1 423.557 3.833 20 0 HHADMP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000543078517 1008656041 /nfs/dbraw/zinc/65/60/41/1008656041.db2.gz WCOYORHWXATEJQ-YYDVJCTNSA-N 2 1 423.557 3.833 20 0 HHADMP CSc1ccccc1C[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000543081183 1008658283 /nfs/dbraw/zinc/65/82/83/1008658283.db2.gz BTNLSFPTYBJGJH-PGRDOPGGSA-N 2 1 411.615 3.827 20 0 HHADMP CC[NH+](CC)CCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549102316 1008667290 /nfs/dbraw/zinc/66/72/90/1008667290.db2.gz GBLVVGQXMDOIHC-KRIYCRJKSA-N 2 1 407.002 3.895 20 0 HHADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000519362095 1008760631 /nfs/dbraw/zinc/76/06/31/1008760631.db2.gz PNPGOACTNVJJEC-HSZRJFAPSA-N 2 1 409.549 3.950 20 0 HHADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000519363613 1008763437 /nfs/dbraw/zinc/76/34/37/1008763437.db2.gz JXFMEGYVEWOWNE-QHCPKHFHSA-N 2 1 409.549 3.950 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)[C@@H](C)C1 ZINC000549204275 1008775693 /nfs/dbraw/zinc/77/56/93/1008775693.db2.gz GSJJVAWKWIXWHH-ILWGZMRPSA-N 2 1 400.611 3.659 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[C@@H](C)C1 ZINC000549204275 1008775704 /nfs/dbraw/zinc/77/57/04/1008775704.db2.gz GSJJVAWKWIXWHH-ILWGZMRPSA-N 2 1 400.611 3.659 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[C@@H](C)C1 ZINC000549204275 1008775720 /nfs/dbraw/zinc/77/57/20/1008775720.db2.gz GSJJVAWKWIXWHH-ILWGZMRPSA-N 2 1 400.611 3.659 20 0 HHADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)[NH+]1CCc2sccc2C1 ZINC000519420140 1008800957 /nfs/dbraw/zinc/80/09/57/1008800957.db2.gz OJEWEZWNQZPTMR-YLJYHZDGSA-N 2 1 415.578 3.662 20 0 HHADMP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[NH+]1CCc2sccc2C1 ZINC000519420140 1008800977 /nfs/dbraw/zinc/80/09/77/1008800977.db2.gz OJEWEZWNQZPTMR-YLJYHZDGSA-N 2 1 415.578 3.662 20 0 HHADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)[N@@H+]1CCc2sccc2C1 ZINC000519420140 1008800996 /nfs/dbraw/zinc/80/09/96/1008800996.db2.gz OJEWEZWNQZPTMR-YLJYHZDGSA-N 2 1 415.578 3.662 20 0 HHADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)[N@H+]1CCc2sccc2C1 ZINC000519420140 1008801018 /nfs/dbraw/zinc/80/10/18/1008801018.db2.gz OJEWEZWNQZPTMR-YLJYHZDGSA-N 2 1 415.578 3.662 20 0 HHADMP C[N@@H+]1[C@@H]2CC[C@H]1CC([C@H](NC(=O)NC[C@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1)C2 ZINC000549231553 1008802040 /nfs/dbraw/zinc/80/20/40/1008802040.db2.gz JGSUFJNDAADWSM-KUIDOIOASA-N 2 1 419.013 3.895 20 0 HHADMP C[NH+]1[C@@H]2CC[C@H]1CC([C@H](NC(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1)C2 ZINC000549231553 1008802057 /nfs/dbraw/zinc/80/20/57/1008802057.db2.gz JGSUFJNDAADWSM-KUIDOIOASA-N 2 1 419.013 3.895 20 0 HHADMP C[NH+]1[C@@H]2CC[C@H]1CC([C@H](NC(=O)NC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1)C2 ZINC000549231553 1008802080 /nfs/dbraw/zinc/80/20/80/1008802080.db2.gz JGSUFJNDAADWSM-KUIDOIOASA-N 2 1 419.013 3.895 20 0 HHADMP CC(C)[N@@H+](C)CCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000549243321 1008813257 /nfs/dbraw/zinc/81/32/57/1008813257.db2.gz PXYGGFYIMOVBBA-KRIYCRJKSA-N 2 1 407.002 3.893 20 0 HHADMP CC(C)[NH+](C)CCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000549243321 1008813271 /nfs/dbraw/zinc/81/32/71/1008813271.db2.gz PXYGGFYIMOVBBA-KRIYCRJKSA-N 2 1 407.002 3.893 20 0 HHADMP CC(C)[NH+](C)CCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549243321 1008813291 /nfs/dbraw/zinc/81/32/91/1008813291.db2.gz PXYGGFYIMOVBBA-KRIYCRJKSA-N 2 1 407.002 3.893 20 0 HHADMP COc1ccc(Oc2ccc(C[NH2+]C3CC[NH+](CCC(=O)N(C)C)CC3)cc2)cc1 ZINC000543249159 1008816976 /nfs/dbraw/zinc/81/69/76/1008816976.db2.gz JIKYFLRCVVPBRM-UHFFFAOYSA-N 2 1 411.546 3.520 20 0 HHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000519490463 1008863577 /nfs/dbraw/zinc/86/35/77/1008863577.db2.gz DSNCLPMGVBIEKW-VQTJNVASSA-N 2 1 406.640 3.914 20 0 HHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000519490463 1008863603 /nfs/dbraw/zinc/86/36/03/1008863603.db2.gz DSNCLPMGVBIEKW-VQTJNVASSA-N 2 1 406.640 3.914 20 0 HHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000519490463 1008863616 /nfs/dbraw/zinc/86/36/16/1008863616.db2.gz DSNCLPMGVBIEKW-VQTJNVASSA-N 2 1 406.640 3.914 20 0 HHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)C1 ZINC000519507032 1008879234 /nfs/dbraw/zinc/87/92/34/1008879234.db2.gz JXMLGSWVAWXBLI-KRWDZBQOSA-N 2 1 410.553 3.549 20 0 HHADMP C[C@@H](NCCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000543459923 1009044655 /nfs/dbraw/zinc/04/46/55/1009044655.db2.gz GXWPTFVXFJZKIL-KAOXLYBCSA-N 3 1 404.687 3.862 20 0 HHADMP C[C@@H](NCCC[NH2+][C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543459923 1009044669 /nfs/dbraw/zinc/04/46/69/1009044669.db2.gz GXWPTFVXFJZKIL-KAOXLYBCSA-N 4 1 404.687 3.862 20 0 HHADMP C[C@@H](NCCC[NH2+][C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543459923 1009044686 /nfs/dbraw/zinc/04/46/86/1009044686.db2.gz GXWPTFVXFJZKIL-KAOXLYBCSA-N 4 1 404.687 3.862 20 0 HHADMP C[C@@H]([NH2+]CCCN[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543459923 1009044700 /nfs/dbraw/zinc/04/47/00/1009044700.db2.gz GXWPTFVXFJZKIL-KAOXLYBCSA-N 4 1 404.687 3.862 20 0 HHADMP C[C@@H]([NH2+]CCCN[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543459923 1009044713 /nfs/dbraw/zinc/04/47/13/1009044713.db2.gz GXWPTFVXFJZKIL-KAOXLYBCSA-N 4 1 404.687 3.862 20 0 HHADMP C[C@@H]([NH2+]CCCN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000543459923 1009044730 /nfs/dbraw/zinc/04/47/30/1009044730.db2.gz GXWPTFVXFJZKIL-KAOXLYBCSA-N 3 1 404.687 3.862 20 0 HHADMP C[C@@H]([NH2+]CCCN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000543459923 1009044744 /nfs/dbraw/zinc/04/47/44/1009044744.db2.gz GXWPTFVXFJZKIL-KAOXLYBCSA-N 3 1 404.687 3.862 20 0 HHADMP C[C@H]([NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543460038 1009045309 /nfs/dbraw/zinc/04/53/09/1009045309.db2.gz GHVSZNLYWPTAIO-RLFYNMQTSA-N 2 1 401.378 3.976 20 0 HHADMP Cc1cc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n(-c2ccc(F)cc2)n1 ZINC000543459967 1009045383 /nfs/dbraw/zinc/04/53/83/1009045383.db2.gz FGIMWJYILJTZHA-ROUUACIJSA-N 2 1 413.541 3.501 20 0 HHADMP Cc1cc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n(-c2ccc(F)cc2)n1 ZINC000543459967 1009045399 /nfs/dbraw/zinc/04/53/99/1009045399.db2.gz FGIMWJYILJTZHA-ROUUACIJSA-N 2 1 413.541 3.501 20 0 HHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543461830 1009049349 /nfs/dbraw/zinc/04/93/49/1009049349.db2.gz TYQRNOFNMGTFCY-QZTJIDSGSA-N 2 1 413.562 3.909 20 0 HHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543461830 1009049363 /nfs/dbraw/zinc/04/93/63/1009049363.db2.gz TYQRNOFNMGTFCY-QZTJIDSGSA-N 2 1 413.562 3.909 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(F)c(Cl)c1F ZINC000546195774 1009223638 /nfs/dbraw/zinc/22/36/38/1009223638.db2.gz QFNMTZJCWBABRY-UHFFFAOYSA-N 2 1 413.940 3.887 20 0 HHADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000543643171 1009247237 /nfs/dbraw/zinc/24/72/37/1009247237.db2.gz ZAEJAZSNEHXYGI-PMACEKPBSA-N 2 1 400.611 3.933 20 0 HHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cc(Br)cs2)c2cccs2)CC1 ZINC000520190802 1009331934 /nfs/dbraw/zinc/33/19/34/1009331934.db2.gz MENLQOWEAOWDQT-HNNXBMFYSA-N 2 1 400.411 3.650 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[NH+](C(C)(C)C)CC3)cc2)C1 ZINC000520196518 1009335946 /nfs/dbraw/zinc/33/59/46/1009335946.db2.gz NVQLPNMOPTVQFK-FQEVSTJZSA-N 2 1 400.611 3.934 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CCC[N@@H+](C(C)(C)C)CC3)cc2)C1 ZINC000520196518 1009335962 /nfs/dbraw/zinc/33/59/62/1009335962.db2.gz NVQLPNMOPTVQFK-FQEVSTJZSA-N 2 1 400.611 3.934 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CCC[N@H+](C(C)(C)C)CC3)cc2)C1 ZINC000520196518 1009335977 /nfs/dbraw/zinc/33/59/77/1009335977.db2.gz NVQLPNMOPTVQFK-FQEVSTJZSA-N 2 1 400.611 3.934 20 0 HHADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c(-c2cnn(C)c2)c1 ZINC000520198512 1009337854 /nfs/dbraw/zinc/33/78/54/1009337854.db2.gz NEMBCUQQLZCPSC-DEOSSOPVSA-N 2 1 404.558 3.642 20 0 HHADMP CC(C)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc2[nH]c(=O)oc2c1 ZINC000543773374 1009342466 /nfs/dbraw/zinc/34/24/66/1009342466.db2.gz IKQFHTXRKWAIQV-REWPJTCUSA-N 2 1 409.530 3.977 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000543812481 1009374423 /nfs/dbraw/zinc/37/44/23/1009374423.db2.gz BAQCFDXVUPIFAA-KRWDZBQOSA-N 2 1 413.525 3.898 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)Cn2cnc3cc(C)c(C)cc32)cc1 ZINC000543814695 1009378494 /nfs/dbraw/zinc/37/84/94/1009378494.db2.gz NNLPVMUWNCADHL-GCJKJVERSA-N 2 1 403.530 3.859 20 0 HHADMP C[N@@H+]1CC[C@@H](c2nc(-c3ccccc3-c3ccc(C[NH+]4CCOCC4)cc3)no2)C1 ZINC000546376297 1009383999 /nfs/dbraw/zinc/38/39/99/1009383999.db2.gz JLQDXZBTMJFAPQ-HXUWFJFHSA-N 2 1 404.514 3.655 20 0 HHADMP C[N@H+]1CC[C@@H](c2nc(-c3ccccc3-c3ccc(C[NH+]4CCOCC4)cc3)no2)C1 ZINC000546376297 1009384012 /nfs/dbraw/zinc/38/40/12/1009384012.db2.gz JLQDXZBTMJFAPQ-HXUWFJFHSA-N 2 1 404.514 3.655 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000520270400 1009387976 /nfs/dbraw/zinc/38/79/76/1009387976.db2.gz MAHKZHGNKYISNS-VWLOTQADSA-N 2 1 420.601 3.807 20 0 HHADMP Cc1ccc([C@H](OC[C@H](O)C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c2ccccc2)cc1 ZINC000549839861 1009453048 /nfs/dbraw/zinc/45/30/48/1009453048.db2.gz ALWSAEWCOVFYQA-TWJOJJKGSA-N 2 1 408.586 3.880 20 0 HHADMP Cc1ccc([C@H](OC[C@H](O)C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c2ccccc2)cc1 ZINC000549839861 1009453056 /nfs/dbraw/zinc/45/30/56/1009453056.db2.gz ALWSAEWCOVFYQA-TWJOJJKGSA-N 2 1 408.586 3.880 20 0 HHADMP Cc1ccc([C@H](OC[C@H](O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c2ccccc2)cc1 ZINC000549839861 1009453067 /nfs/dbraw/zinc/45/30/67/1009453067.db2.gz ALWSAEWCOVFYQA-TWJOJJKGSA-N 2 1 408.586 3.880 20 0 HHADMP CCc1cnccc1[C@@H](C)[NH2+]CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000543980236 1009581095 /nfs/dbraw/zinc/58/10/95/1009581095.db2.gz NTENUCWELORTQV-HXUWFJFHSA-N 2 1 416.569 3.792 20 0 HHADMP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000543996864 1009596937 /nfs/dbraw/zinc/59/69/37/1009596937.db2.gz QNTNWYYOYNHPCP-KURKYZTESA-N 2 1 400.567 3.605 20 0 HHADMP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000543996864 1009596951 /nfs/dbraw/zinc/59/69/51/1009596951.db2.gz QNTNWYYOYNHPCP-KURKYZTESA-N 2 1 400.567 3.605 20 0 HHADMP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000549999373 1009597966 /nfs/dbraw/zinc/59/79/66/1009597966.db2.gz DFFOGOWEADRQSL-UWSZBUKDSA-N 2 1 407.533 3.551 20 0 HHADMP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000549999373 1009597980 /nfs/dbraw/zinc/59/79/80/1009597980.db2.gz DFFOGOWEADRQSL-UWSZBUKDSA-N 2 1 407.533 3.551 20 0 HHADMP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000549999373 1009597988 /nfs/dbraw/zinc/59/79/88/1009597988.db2.gz DFFOGOWEADRQSL-UWSZBUKDSA-N 2 1 407.533 3.551 20 0 HHADMP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000549999373 1009598003 /nfs/dbraw/zinc/59/80/03/1009598003.db2.gz DFFOGOWEADRQSL-UWSZBUKDSA-N 2 1 407.533 3.551 20 0 HHADMP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000544002966 1009603938 /nfs/dbraw/zinc/60/39/38/1009603938.db2.gz SRRVFVKPBYCZDB-CRAIPNDOSA-N 2 1 423.623 3.969 20 0 HHADMP C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000550105654 1009705046 /nfs/dbraw/zinc/70/50/46/1009705046.db2.gz QNKREZHGSOICSJ-BRXVMWLGSA-N 2 1 421.560 3.942 20 0 HHADMP C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000550105654 1009705054 /nfs/dbraw/zinc/70/50/54/1009705054.db2.gz QNKREZHGSOICSJ-BRXVMWLGSA-N 2 1 421.560 3.942 20 0 HHADMP C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000550105654 1009705071 /nfs/dbraw/zinc/70/50/71/1009705071.db2.gz QNKREZHGSOICSJ-BRXVMWLGSA-N 2 1 421.560 3.942 20 0 HHADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C1 ZINC000550139299 1009723774 /nfs/dbraw/zinc/72/37/74/1009723774.db2.gz BTYWTIWJRZBDKB-PZJWPPBQSA-N 2 1 405.583 3.995 20 0 HHADMP C[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000544118652 1009726585 /nfs/dbraw/zinc/72/65/85/1009726585.db2.gz YGYQDLOHKFUUHK-HNNXBMFYSA-N 2 1 413.393 3.599 20 0 HHADMP C[N@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000544118652 1009726602 /nfs/dbraw/zinc/72/66/02/1009726602.db2.gz YGYQDLOHKFUUHK-HNNXBMFYSA-N 2 1 413.393 3.599 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[NH+]1CCCCC1 ZINC000520708475 1009775042 /nfs/dbraw/zinc/77/50/42/1009775042.db2.gz WGWHGIHZGVANCY-DENIHFKCSA-N 2 1 414.594 3.538 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1F ZINC000520754977 1009824991 /nfs/dbraw/zinc/82/49/91/1009824991.db2.gz JBVBIIIGCIYCIJ-QGZVFWFLSA-N 2 1 421.520 3.566 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1F ZINC000520754977 1009825006 /nfs/dbraw/zinc/82/50/06/1009825006.db2.gz JBVBIIIGCIYCIJ-QGZVFWFLSA-N 2 1 421.520 3.566 20 0 HHADMP C[C@H]1C[NH+](CCCCNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C[C@H](C)O1 ZINC000544223470 1009832743 /nfs/dbraw/zinc/83/27/43/1009832743.db2.gz GOPVVFFTZCEBDE-VXKWHMMOSA-N 2 1 423.601 3.938 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)NCC[N@@H+]3[C@H](C)CCC[C@@H]3C)c(C)c2)CC1 ZINC000520782618 1009850567 /nfs/dbraw/zinc/85/05/67/1009850567.db2.gz YFKAOOPCUFCITG-BGYRXZFFSA-N 2 1 401.599 3.521 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)c1ccco1 ZINC000520878950 1009933725 /nfs/dbraw/zinc/93/37/25/1009933725.db2.gz XMWZVEKDVHAEPG-NRFANRHFSA-N 2 1 416.541 3.719 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)c1ccco1 ZINC000520878950 1009933738 /nfs/dbraw/zinc/93/37/38/1009933738.db2.gz XMWZVEKDVHAEPG-NRFANRHFSA-N 2 1 416.541 3.719 20 0 HHADMP CN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000544368676 1009997470 /nfs/dbraw/zinc/99/74/70/1009997470.db2.gz QSHGMQXJBVAHST-XLIONFOSSA-N 2 1 410.965 3.599 20 0 HHADMP Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544420226 1010038046 /nfs/dbraw/zinc/03/80/46/1010038046.db2.gz YOZCJKWADQJITA-GHTZIAJQSA-N 2 1 423.605 3.979 20 0 HHADMP Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544420226 1010038058 /nfs/dbraw/zinc/03/80/58/1010038058.db2.gz YOZCJKWADQJITA-GHTZIAJQSA-N 2 1 423.605 3.979 20 0 HHADMP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC000544421489 1010039913 /nfs/dbraw/zinc/03/99/13/1010039913.db2.gz LIRAKHWSUDYUDN-GBESFXJTSA-N 2 1 400.567 3.583 20 0 HHADMP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000544421489 1010039928 /nfs/dbraw/zinc/03/99/28/1010039928.db2.gz LIRAKHWSUDYUDN-GBESFXJTSA-N 2 1 400.567 3.583 20 0 HHADMP CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544422011 1010043784 /nfs/dbraw/zinc/04/37/84/1010043784.db2.gz PRCHXTFXMGQSGV-IKGGRYGDSA-N 2 1 421.607 3.803 20 0 HHADMP CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544422011 1010043798 /nfs/dbraw/zinc/04/37/98/1010043798.db2.gz PRCHXTFXMGQSGV-IKGGRYGDSA-N 2 1 421.607 3.803 20 0 HHADMP Cc1cc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n(-c2ccccc2F)n1 ZINC000544423535 1010044161 /nfs/dbraw/zinc/04/41/61/1010044161.db2.gz FEHQSSCJJJWFIF-QZTJIDSGSA-N 2 1 413.541 3.501 20 0 HHADMP Cc1cc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n(-c2ccccc2F)n1 ZINC000544423535 1010044177 /nfs/dbraw/zinc/04/41/77/1010044177.db2.gz FEHQSSCJJJWFIF-QZTJIDSGSA-N 2 1 413.541 3.501 20 0 HHADMP CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000544424467 1010047192 /nfs/dbraw/zinc/04/71/92/1010047192.db2.gz GZPUDFDSGNXGOC-ZYKOEDHHSA-N 2 1 413.606 3.991 20 0 HHADMP CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000544424467 1010047207 /nfs/dbraw/zinc/04/72/07/1010047207.db2.gz GZPUDFDSGNXGOC-ZYKOEDHHSA-N 2 1 413.606 3.991 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000521070516 1010087496 /nfs/dbraw/zinc/08/74/96/1010087496.db2.gz ZHFBPNMZAMHOIK-SFHVURJKSA-N 2 1 410.553 3.693 20 0 HHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000521168319 1010200956 /nfs/dbraw/zinc/20/09/56/1010200956.db2.gz PFEWIPQRJRAOIJ-HXUWFJFHSA-N 2 1 407.002 3.726 20 0 HHADMP CCOc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)ccc1OCc1c(F)cccc1Cl ZINC000547268708 1010215451 /nfs/dbraw/zinc/21/54/51/1010215451.db2.gz PDMMHHBPLKNWIT-QFIPXVFZSA-N 2 1 422.928 3.613 20 0 HHADMP CCOc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)ccc1OCc1c(F)cccc1Cl ZINC000547268708 1010215457 /nfs/dbraw/zinc/21/54/57/1010215457.db2.gz PDMMHHBPLKNWIT-QFIPXVFZSA-N 2 1 422.928 3.613 20 0 HHADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)[C@@H](n2cncn2)C1 ZINC000550882965 1010240349 /nfs/dbraw/zinc/24/03/49/1010240349.db2.gz UHAZVIASYNNCIX-AZOUXBGGSA-N 2 1 423.605 3.526 20 0 HHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000547426727 1010299697 /nfs/dbraw/zinc/29/96/97/1010299697.db2.gz KJBBCSSFCBKAJR-BJKOFHAPSA-N 2 1 408.590 3.566 20 0 HHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000547426727 1010299704 /nfs/dbraw/zinc/29/97/04/1010299704.db2.gz KJBBCSSFCBKAJR-BJKOFHAPSA-N 2 1 408.590 3.566 20 0 HHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000547426727 1010299717 /nfs/dbraw/zinc/29/97/17/1010299717.db2.gz KJBBCSSFCBKAJR-BJKOFHAPSA-N 2 1 408.590 3.566 20 0 HHADMP CC[NH+]1CCN(c2ccc(-c3noc([C@H]4CCC[N@@H+]4Cc4ccccc4)n3)cn2)CC1 ZINC000544723958 1010331293 /nfs/dbraw/zinc/33/12/93/1010331293.db2.gz NKFJUVGIGNCKCA-OAQYLSRUSA-N 2 1 418.545 3.611 20 0 HHADMP CC[NH+]1CCN(c2ccc(-c3noc([C@H]4CCC[N@H+]4Cc4ccccc4)n3)cn2)CC1 ZINC000544723958 1010331304 /nfs/dbraw/zinc/33/13/04/1010331304.db2.gz NKFJUVGIGNCKCA-OAQYLSRUSA-N 2 1 418.545 3.611 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547505272 1010331489 /nfs/dbraw/zinc/33/14/89/1010331489.db2.gz LNMLWCNHTLXHQR-WHLIWEHUSA-N 2 1 408.590 3.695 20 0 HHADMP C[N@H+](CCC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)C1CCCCC1 ZINC000547732218 1010406834 /nfs/dbraw/zinc/40/68/34/1010406834.db2.gz DTQVUOAQMHVJJS-UHFFFAOYSA-N 2 1 412.578 3.567 20 0 HHADMP C[N@@H+](CCC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)C1CCCCC1 ZINC000547732218 1010406839 /nfs/dbraw/zinc/40/68/39/1010406839.db2.gz DTQVUOAQMHVJJS-UHFFFAOYSA-N 2 1 412.578 3.567 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@H](C(C)(C)C)C(F)(F)F ZINC000547856995 1010453247 /nfs/dbraw/zinc/45/32/47/1010453247.db2.gz ZYIYMBDYAZGUGW-GOSISDBHSA-N 2 1 420.564 3.801 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@H]([NH+]4CCCCC4)C3)cc2)C1 ZINC000521671258 1010538530 /nfs/dbraw/zinc/53/85/30/1010538530.db2.gz GSKQKSVBJIWVNL-IMSXRSKXSA-N 2 1 412.622 3.934 20 0 HHADMP COc1c(Br)cccc1C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000548150080 1010546083 /nfs/dbraw/zinc/54/60/83/1010546083.db2.gz IPLVVHPCWHXAOC-KRWDZBQOSA-N 2 1 424.408 3.598 20 0 HHADMP CCC[N@H+]1CC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000521685921 1010549909 /nfs/dbraw/zinc/54/99/09/1010549909.db2.gz LIKYZGOKDQMKIR-SFHVURJKSA-N 2 1 414.516 3.511 20 0 HHADMP CCC[N@H+]1CC[C@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000521685755 1010550222 /nfs/dbraw/zinc/55/02/22/1010550222.db2.gz LIKYZGOKDQMKIR-GOSISDBHSA-N 2 1 414.516 3.511 20 0 HHADMP COc1ccc(C[C@H](C)C[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)cc1F ZINC000545011151 1010554920 /nfs/dbraw/zinc/55/49/20/1010554920.db2.gz PGPLMGGNOTVWKV-NRFANRHFSA-N 2 1 413.581 3.763 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000545302518 1010722414 /nfs/dbraw/zinc/72/24/14/1010722414.db2.gz AVRZOAISEORVBO-DYXWJJEUSA-N 2 1 405.542 3.561 20 0 HHADMP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000522162358 1010841211 /nfs/dbraw/zinc/84/12/11/1010841211.db2.gz ZJOQVAJWBPCWFT-RUZDIDTESA-N 2 1 420.601 3.986 20 0 HHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000522782078 1011215662 /nfs/dbraw/zinc/21/56/62/1011215662.db2.gz DUCVFRZLDLTBBD-OAQYLSRUSA-N 2 1 401.599 3.523 20 0 HHADMP C[C@@H](c1ccc(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1)[NH+]1CCOCC1 ZINC000522786994 1011221277 /nfs/dbraw/zinc/22/12/77/1011221277.db2.gz ZOUZYFUCLJGLQK-UGKGYDQZSA-N 2 1 400.567 3.562 20 0 HHADMP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000522869317 1011311234 /nfs/dbraw/zinc/31/12/34/1011311234.db2.gz OOWQKKSSNNDGEZ-RUZDIDTESA-N 2 1 420.601 3.986 20 0 HHADMP COc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)[NH+]2CCCC2)cc1 ZINC000536204447 1011349346 /nfs/dbraw/zinc/34/93/46/1011349346.db2.gz PTKDWHNELLROKK-SGNDLWITSA-N 2 1 422.573 3.577 20 0 HHADMP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000536230704 1011379426 /nfs/dbraw/zinc/37/94/26/1011379426.db2.gz CUWURGLMIKVDJW-RBUKOAKNSA-N 2 1 414.516 3.738 20 0 HHADMP C[NH+](C)Cc1cccc(CNC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000523064862 1011534021 /nfs/dbraw/zinc/53/40/21/1011534021.db2.gz WMFXCQCXBWAEJB-QFIPXVFZSA-N 2 1 419.491 3.819 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cnn(Cc2ccccc2)c1 ZINC000540991194 1011625371 /nfs/dbraw/zinc/62/53/71/1011625371.db2.gz DVEJJDSQVLEDFR-CPJSRVTESA-N 2 1 404.558 3.739 20 0 HHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000540991771 1011625455 /nfs/dbraw/zinc/62/54/55/1011625455.db2.gz KMKKEUCSBJFLKA-NQIIRXRSSA-N 2 1 406.448 3.929 20 0 HHADMP COc1cc(F)c([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1OC ZINC000540992394 1011626475 /nfs/dbraw/zinc/62/64/75/1011626475.db2.gz WLGMVPAKHBBYGG-APWZRJJASA-N 2 1 402.510 3.650 20 0 HHADMP COc1cc(F)c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1OC ZINC000540992394 1011626480 /nfs/dbraw/zinc/62/64/80/1011626480.db2.gz WLGMVPAKHBBYGG-APWZRJJASA-N 2 1 402.510 3.650 20 0 HHADMP CCOCc1ccccc1CNC(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000541028457 1011663818 /nfs/dbraw/zinc/66/38/18/1011663818.db2.gz SKYQMGNKKDSSNT-GOSISDBHSA-N 2 1 406.530 3.684 20 0 HHADMP COc1ccc(NC(=O)C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c(OC)c1 ZINC000536486273 1011698460 /nfs/dbraw/zinc/69/84/60/1011698460.db2.gz PVSNITFFJDJZBL-UHFFFAOYSA-N 2 1 423.557 3.630 20 0 HHADMP COc1ccc(NC(=O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c(OC)c1 ZINC000536486273 1011698465 /nfs/dbraw/zinc/69/84/65/1011698465.db2.gz PVSNITFFJDJZBL-UHFFFAOYSA-N 2 1 423.557 3.630 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000523219409 1011707811 /nfs/dbraw/zinc/70/78/11/1011707811.db2.gz XIWXWZZKPFIHLN-DNQXCXABSA-N 2 1 423.605 3.689 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000523220154 1011708825 /nfs/dbraw/zinc/70/88/25/1011708825.db2.gz CKMKBWOSAQRJFH-NNWRFLSQSA-N 2 1 410.562 3.860 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000536521006 1011712159 /nfs/dbraw/zinc/71/21/59/1011712159.db2.gz WLWKBEZFWXOBKH-UHFFFAOYSA-N 2 1 412.622 3.806 20 0 HHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000536521051 1011712716 /nfs/dbraw/zinc/71/27/16/1011712716.db2.gz YONWWJHFZOPCCH-AZUAARDMSA-N 2 1 404.574 3.683 20 0 HHADMP CC(C)(CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000523302488 1011781317 /nfs/dbraw/zinc/78/13/17/1011781317.db2.gz OMBUMFNGEBPJFM-OAQYLSRUSA-N 2 1 411.512 3.822 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)NCCn1cc[nH+]c1C)c1ccc(C(F)(F)F)cc1 ZINC000523305598 1011783649 /nfs/dbraw/zinc/78/36/49/1011783649.db2.gz JGQBEPBIYGJGCQ-SFHVURJKSA-N 2 1 411.472 3.593 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cnc4ccc(Cl)cn34)CC2)CC1 ZINC000536666837 1011819579 /nfs/dbraw/zinc/81/95/79/1011819579.db2.gz OWEDXRCXKYJZQO-UHFFFAOYSA-N 2 1 404.002 3.616 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)CC1 ZINC000536704106 1011875074 /nfs/dbraw/zinc/87/50/74/1011875074.db2.gz QGSZJJACWYIQOH-OAQYLSRUSA-N 2 1 409.578 3.859 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000536707472 1011877688 /nfs/dbraw/zinc/87/76/88/1011877688.db2.gz GGFAEXAWVLNSDC-UHFFFAOYSA-N 2 1 421.501 3.599 20 0 HHADMP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536724938 1011896939 /nfs/dbraw/zinc/89/69/39/1011896939.db2.gz XIJVAYLLIATETK-AUSIDOKSSA-N 2 1 422.573 3.648 20 0 HHADMP C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536729004 1011901070 /nfs/dbraw/zinc/90/10/70/1011901070.db2.gz BNFHSSPORTYYHD-HXUWFJFHSA-N 2 1 406.574 3.988 20 0 HHADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000523425226 1011912465 /nfs/dbraw/zinc/91/24/65/1011912465.db2.gz IHCDXGCKJNTERQ-UHFFFAOYSA-N 2 1 402.608 3.718 20 0 HHADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000523425226 1011912477 /nfs/dbraw/zinc/91/24/77/1011912477.db2.gz IHCDXGCKJNTERQ-UHFFFAOYSA-N 2 1 402.608 3.718 20 0 HHADMP Cc1ccc(NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c(OCC[NH+](C)C)c1 ZINC000523447181 1011945052 /nfs/dbraw/zinc/94/50/52/1011945052.db2.gz ANDNOKGFSBYOOS-KDURUIRLSA-N 2 1 404.599 3.813 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000536762184 1011959570 /nfs/dbraw/zinc/95/95/70/1011959570.db2.gz KOOKPSLPNLZPCH-OFNKIYASSA-N 2 1 421.589 3.650 20 0 HHADMP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536764382 1011963695 /nfs/dbraw/zinc/96/36/95/1011963695.db2.gz XRFGNJOGEIGZCN-QHCPKHFHSA-N 2 1 413.610 3.642 20 0 HHADMP CC1CC[NH+](CCCNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000523470797 1011979479 /nfs/dbraw/zinc/97/94/79/1011979479.db2.gz OVXXHIIJUDHDGT-JTHBVZDNSA-N 2 1 400.611 3.803 20 0 HHADMP CCOc1cc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc(Cl)c1O ZINC000551933466 1012028290 /nfs/dbraw/zinc/02/82/90/1012028290.db2.gz YFHIUHKYSYCOAV-KRWDZBQOSA-N 2 1 409.983 3.584 20 0 HHADMP CCCN(C(=O)NC1CC[NH+](CC2CC2)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000523524388 1012051453 /nfs/dbraw/zinc/05/14/53/1012051453.db2.gz KQWPCTOMECGMRA-DEOSSOPVSA-N 2 1 412.622 3.947 20 0 HHADMP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000552032742 1012057278 /nfs/dbraw/zinc/05/72/78/1012057278.db2.gz MOTBJKKJDGWRNU-JIMJEQGWSA-N 3 1 412.666 3.685 20 0 HHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000552032742 1012057292 /nfs/dbraw/zinc/05/72/92/1012057292.db2.gz MOTBJKKJDGWRNU-JIMJEQGWSA-N 3 1 412.666 3.685 20 0 HHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000552032742 1012057321 /nfs/dbraw/zinc/05/73/21/1012057321.db2.gz MOTBJKKJDGWRNU-JIMJEQGWSA-N 3 1 412.666 3.685 20 0 HHADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000536828896 1012058528 /nfs/dbraw/zinc/05/85/28/1012058528.db2.gz SOAZDKYLLOCDQP-IRFCIJBXSA-N 2 1 415.603 3.546 20 0 HHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCOc3ncccc3C(F)(F)F)CC2)cc1 ZINC000536839823 1012069577 /nfs/dbraw/zinc/06/95/77/1012069577.db2.gz QSWNFVHSOJSEDP-UHFFFAOYSA-N 2 1 411.443 3.915 20 0 HHADMP COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(C)c1OC ZINC000552065571 1012082474 /nfs/dbraw/zinc/08/24/74/1012082474.db2.gz FUMWDRWNXKIXKT-WZONZLPQSA-N 2 1 412.574 3.690 20 0 HHADMP O=C1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000536875802 1012117291 /nfs/dbraw/zinc/11/72/91/1012117291.db2.gz KNNOHFCXFBDRSA-CCDWMCETSA-N 2 1 421.560 3.579 20 0 HHADMP C[NH+](C)CCc1ccccc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000552183630 1012197083 /nfs/dbraw/zinc/19/70/83/1012197083.db2.gz NEFHTTDKUDJQAO-HXUWFJFHSA-N 2 1 401.501 3.887 20 0 HHADMP C[NH+](C)[C@H]1CCCN(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000541477427 1012247156 /nfs/dbraw/zinc/24/71/56/1012247156.db2.gz FTDPKASEKQZOOD-IBGZPJMESA-N 2 1 413.393 3.693 20 0 HHADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c(C)c1OC ZINC000552238900 1012248422 /nfs/dbraw/zinc/24/84/22/1012248422.db2.gz PCUHPNDRBNOTCJ-XLIONFOSSA-N 2 1 417.619 3.583 20 0 HHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000541516720 1012299410 /nfs/dbraw/zinc/29/94/10/1012299410.db2.gz WWMDOYHPPPGCJJ-ZRCGQRJVSA-N 2 1 410.606 3.969 20 0 HHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000541516720 1012299419 /nfs/dbraw/zinc/29/94/19/1012299419.db2.gz WWMDOYHPPPGCJJ-ZRCGQRJVSA-N 2 1 410.606 3.969 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CC[C@@H](c5nc(C6CC6)no5)O4)[C@@H]3C2)cc1 ZINC000552297621 1012309435 /nfs/dbraw/zinc/30/94/35/1012309435.db2.gz CKFFARKKXPNTCO-MNVIUDHYSA-N 2 1 408.546 3.667 20 0 HHADMP C[NH+]1CCC(C[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)(N2CCCCC2)CC1 ZINC000541542505 1012327692 /nfs/dbraw/zinc/32/76/92/1012327692.db2.gz CSYQFVQDUJYKEZ-QHCPKHFHSA-N 2 1 414.544 3.989 20 0 HHADMP CC1CCC([NH+]2CCN(C(=O)c3ccc(C[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)CC2)CC1 ZINC000523720572 1012331432 /nfs/dbraw/zinc/33/14/32/1012331432.db2.gz MMYRGHZUFZCMLH-ZRDDSIGQSA-N 2 1 413.606 3.632 20 0 HHADMP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537024858 1012332167 /nfs/dbraw/zinc/33/21/67/1012332167.db2.gz BVBJXQYOUKGGML-JAXLGGSGSA-N 2 1 409.574 3.904 20 0 HHADMP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537024858 1012332181 /nfs/dbraw/zinc/33/21/81/1012332181.db2.gz BVBJXQYOUKGGML-JAXLGGSGSA-N 2 1 409.574 3.904 20 0 HHADMP C[C@@H](CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1)[NH+]1CCCCC1 ZINC000541559248 1012346265 /nfs/dbraw/zinc/34/62/65/1012346265.db2.gz YTXCTNYFOAILAL-OALUTQOASA-N 2 1 419.591 3.673 20 0 HHADMP C[C@@H]([NH2+]CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599970 1012395177 /nfs/dbraw/zinc/39/51/77/1012395177.db2.gz SEGGXTNNUBCKON-UYAOXDASSA-N 2 1 421.589 3.931 20 0 HHADMP C[C@@H]([NH2+]CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599970 1012395194 /nfs/dbraw/zinc/39/51/94/1012395194.db2.gz SEGGXTNNUBCKON-UYAOXDASSA-N 2 1 421.589 3.931 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC000523904465 1012617396 /nfs/dbraw/zinc/61/73/96/1012617396.db2.gz VSQLBDAVTQBDLF-KZTDQWPFSA-N 2 1 406.574 3.957 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000523904465 1012617410 /nfs/dbraw/zinc/61/74/10/1012617410.db2.gz VSQLBDAVTQBDLF-KZTDQWPFSA-N 2 1 406.574 3.957 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000523904465 1012617423 /nfs/dbraw/zinc/61/74/23/1012617423.db2.gz VSQLBDAVTQBDLF-KZTDQWPFSA-N 2 1 406.574 3.957 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000523905348 1012619233 /nfs/dbraw/zinc/61/92/33/1012619233.db2.gz OOTKABPDPUYZPW-BKULYWANSA-N 2 1 415.626 3.588 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000523905347 1012619373 /nfs/dbraw/zinc/61/93/73/1012619373.db2.gz OOTKABPDPUYZPW-BGWNEDDSSA-N 2 1 415.626 3.588 20 0 HHADMP Cc1ccc([C@H](CNC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[NH+]2CCCC2)o1 ZINC000523939413 1012673662 /nfs/dbraw/zinc/67/36/62/1012673662.db2.gz MNKBMWJVMGBLIS-ZVDOUQERSA-N 2 1 404.599 3.782 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCC[C@@H]1CO ZINC000541917953 1012776758 /nfs/dbraw/zinc/77/67/58/1012776758.db2.gz IWYPUPGLARFMNX-LPPUWEFUSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000541917953 1012776773 /nfs/dbraw/zinc/77/67/73/1012776773.db2.gz IWYPUPGLARFMNX-LPPUWEFUSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000541917953 1012776782 /nfs/dbraw/zinc/77/67/82/1012776782.db2.gz IWYPUPGLARFMNX-LPPUWEFUSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000541917953 1012776804 /nfs/dbraw/zinc/77/68/04/1012776804.db2.gz IWYPUPGLARFMNX-LPPUWEFUSA-N 2 1 407.602 3.644 20 0 HHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000541917953 1012776823 /nfs/dbraw/zinc/77/68/23/1012776823.db2.gz IWYPUPGLARFMNX-LPPUWEFUSA-N 2 1 407.602 3.644 20 0 HHADMP COc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1F ZINC000541951140 1012812548 /nfs/dbraw/zinc/81/25/48/1012812548.db2.gz BEZJAMDYZVHBSP-MRXNPFEDSA-N 2 1 410.493 3.638 20 0 HHADMP CCCn1c2ccccc2nc1C[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000524114644 1012890552 /nfs/dbraw/zinc/89/05/52/1012890552.db2.gz HUDDVLSIMVZYDV-DEOSSOPVSA-N 2 1 405.590 3.915 20 0 HHADMP O=C(NCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC000552899532 1012901315 /nfs/dbraw/zinc/90/13/15/1012901315.db2.gz RRYSSXVCKNNKDJ-UHFFFAOYSA-N 2 1 403.929 3.506 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000524135942 1012922070 /nfs/dbraw/zinc/92/20/70/1012922070.db2.gz XTEZXUQUDJWIPQ-NZQKXSOJSA-N 2 1 400.611 3.803 20 0 HHADMP CC[N@H+]1CC[C@H]1CNC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001687421523 1071903576 /nfs/dbraw/zinc/90/35/76/1071903576.db2.gz LYJLUPDZJHCQLZ-ZEQRLZLVSA-N 2 1 412.622 3.947 20 0 HHADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC001649009522 1072114715 /nfs/dbraw/zinc/11/47/15/1072114715.db2.gz BXEWZKPUXCSRNI-UHFFFAOYSA-N 2 1 407.299 3.641 20 0 HHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000586855771 1072477206 /nfs/dbraw/zinc/47/72/06/1072477206.db2.gz IKLGYNXASNRKQX-IRLDBZIGSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000586855771 1072477207 /nfs/dbraw/zinc/47/72/07/1072477207.db2.gz IKLGYNXASNRKQX-IRLDBZIGSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000586855771 1072477208 /nfs/dbraw/zinc/47/72/08/1072477208.db2.gz IKLGYNXASNRKQX-IRLDBZIGSA-N 2 1 400.611 3.708 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000586869374 1072492398 /nfs/dbraw/zinc/49/23/98/1072492398.db2.gz WREIZRVQQKSGQR-VXKWHMMOSA-N 2 1 412.578 3.874 20 0 HHADMP C[NH+](C)C1CCC([N@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CCC3(F)F)CC1 ZINC001168313370 1072494757 /nfs/dbraw/zinc/49/47/57/1072494757.db2.gz ANDPFCMRCWLUKF-LBXVMSDZSA-N 2 1 401.542 3.827 20 0 HHADMP CC(=O)c1ccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c(Br)c1 ZINC001212144728 1072514387 /nfs/dbraw/zinc/51/43/87/1072514387.db2.gz BIJHZOUVEULRLF-INIZCTEOSA-N 2 1 409.328 3.870 20 0 HHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cc(Br)ccc2N(C)C)no1 ZINC001212144948 1072526334 /nfs/dbraw/zinc/52/63/34/1072526334.db2.gz HVRSGPWLVPPVSH-HNNXBMFYSA-N 2 1 410.360 3.733 20 0 HHADMP COc1cccc([C@H]2CC(=O)N(C[N@@H+](C)CCC3CCN(c4cc[nH+]cc4)CC3)C2)c1 ZINC000760537866 1072562381 /nfs/dbraw/zinc/56/23/81/1072562381.db2.gz KFZCPDKCKQNZBH-QFIPXVFZSA-N 2 1 422.573 3.602 20 0 HHADMP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000571328345 1072604213 /nfs/dbraw/zinc/60/42/13/1072604213.db2.gz LHSRQWAKACXPOP-PBHICJAKSA-N 2 1 409.596 3.579 20 0 HHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)CC2)n[nH]1 ZINC000571574768 1072661815 /nfs/dbraw/zinc/66/18/15/1072661815.db2.gz CIQJEUIEXKDYKC-YFNKSVMNSA-N 2 1 407.606 3.967 20 0 HHADMP COC1CC[NH+](C2(C[NH2+]CC3CCN(C(=O)OC(C)(C)C)CC3)CCCC2)CC1 ZINC000760680001 1072843751 /nfs/dbraw/zinc/84/37/51/1072843751.db2.gz YIGVETOLLCBLFK-UHFFFAOYSA-N 2 1 409.615 3.647 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCc1ncc(C(C)(C)C)o1 ZINC000554877497 1072921416 /nfs/dbraw/zinc/92/14/16/1072921416.db2.gz JSMPZGJCAXHFNX-UHFFFAOYSA-N 2 1 418.626 3.559 20 0 HHADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1)C2 ZINC000555071011 1073130683 /nfs/dbraw/zinc/13/06/83/1073130683.db2.gz XZHMNRJHNKKSJN-DEOSSOPVSA-N 2 1 416.569 3.915 20 0 HHADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1)C2 ZINC000555071011 1073130687 /nfs/dbraw/zinc/13/06/87/1073130687.db2.gz XZHMNRJHNKKSJN-DEOSSOPVSA-N 2 1 416.569 3.915 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000588709774 1073155359 /nfs/dbraw/zinc/15/53/59/1073155359.db2.gz DLLNLQTXJZFEMQ-CALCHBBNSA-N 2 1 400.485 3.949 20 0 HHADMP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588710630 1073157104 /nfs/dbraw/zinc/15/71/04/1073157104.db2.gz KKVVEIRTLVANLV-BDTNDASRSA-N 2 1 415.622 3.633 20 0 HHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@H](O)COc3cc(C)cc(C)c3)C2)s1 ZINC000572108752 1073196733 /nfs/dbraw/zinc/19/67/33/1073196733.db2.gz BRIIBJCXDBOFJS-RTWAWAEBSA-N 2 1 402.604 3.867 20 0 HHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H](O)COc3cc(C)cc(C)c3)C2)s1 ZINC000572108752 1073196735 /nfs/dbraw/zinc/19/67/35/1073196735.db2.gz BRIIBJCXDBOFJS-RTWAWAEBSA-N 2 1 402.604 3.867 20 0 HHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H](O)COc3cc(C)cc(C)c3)C2)s1 ZINC000572108752 1073196741 /nfs/dbraw/zinc/19/67/41/1073196741.db2.gz BRIIBJCXDBOFJS-RTWAWAEBSA-N 2 1 402.604 3.867 20 0 HHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)C1 ZINC000555146083 1073198407 /nfs/dbraw/zinc/19/84/07/1073198407.db2.gz XRFIWWNDXATVLF-LJQANCHMSA-N 2 1 401.599 3.690 20 0 HHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)C1 ZINC000555146083 1073198411 /nfs/dbraw/zinc/19/84/11/1073198411.db2.gz XRFIWWNDXATVLF-LJQANCHMSA-N 2 1 401.599 3.690 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC000555153011 1073205824 /nfs/dbraw/zinc/20/58/24/1073205824.db2.gz JKYHEAVWNWBJQZ-GOTSBHOMSA-N 2 1 400.611 3.566 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000555153011 1073205828 /nfs/dbraw/zinc/20/58/28/1073205828.db2.gz JKYHEAVWNWBJQZ-GOTSBHOMSA-N 2 1 400.611 3.566 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000555153011 1073205832 /nfs/dbraw/zinc/20/58/32/1073205832.db2.gz JKYHEAVWNWBJQZ-GOTSBHOMSA-N 2 1 400.611 3.566 20 0 HHADMP CCc1nc(C)c([C@H](C)N(C)C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)s1 ZINC000572507896 1073290581 /nfs/dbraw/zinc/29/05/81/1073290581.db2.gz HKWUROMZZOCICH-KRWDZBQOSA-N 2 1 406.640 3.730 20 0 HHADMP COCCC[NH+]1CCC(NC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CC1 ZINC000588941628 1073352423 /nfs/dbraw/zinc/35/24/23/1073352423.db2.gz UVPBFUIJNKUHJA-UHFFFAOYSA-N 2 1 413.566 3.677 20 0 HHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)CC1 ZINC000589999897 1073441465 /nfs/dbraw/zinc/44/14/65/1073441465.db2.gz XHFYYVRMDPOLEV-UHFFFAOYSA-N 2 1 411.472 3.574 20 0 HHADMP CCc1nn(C)c(CC)c1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000555617750 1073684333 /nfs/dbraw/zinc/68/43/33/1073684333.db2.gz QBSBIMHYZCMYCZ-OAQYLSRUSA-N 2 1 410.606 3.563 20 0 HHADMP Cc1cc(NC(=O)c2ccc3c[nH+]cn3c2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000555886251 1073927674 /nfs/dbraw/zinc/92/76/74/1073927674.db2.gz HISSAGCGERVIIZ-NRFANRHFSA-N 2 1 400.486 3.539 20 0 HHADMP c1cc([C@H]2CCC[NH+](Cc3ccccc3C[N@H+]3CCC[C@H](c4cc[nH]n4)C3)C2)n[nH]1 ZINC000590926739 1074039767 /nfs/dbraw/zinc/03/97/67/1074039767.db2.gz OQIPEEKFDZPYPF-VXKWHMMOSA-N 2 1 404.562 3.892 20 0 HHADMP C[N@H+](Cc1ccccc1NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCCCC1 ZINC000591479444 1074336516 /nfs/dbraw/zinc/33/65/16/1074336516.db2.gz OOLOXJMLULTNGF-QFIPXVFZSA-N 2 1 414.594 3.780 20 0 HHADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCCCC1 ZINC000591479444 1074336525 /nfs/dbraw/zinc/33/65/25/1074336525.db2.gz OOLOXJMLULTNGF-QFIPXVFZSA-N 2 1 414.594 3.780 20 0 HHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000591580911 1074424454 /nfs/dbraw/zinc/42/44/54/1074424454.db2.gz BPXBHVARWPCJPZ-PMACEKPBSA-N 2 1 404.624 3.620 20 0 HHADMP COc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(C)c1OC ZINC000573604647 1074566208 /nfs/dbraw/zinc/56/62/08/1074566208.db2.gz LTRLBVQJZORINN-UHFFFAOYSA-N 2 1 403.611 3.640 20 0 HHADMP COc1ccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1OC ZINC000573604647 1074566214 /nfs/dbraw/zinc/56/62/14/1074566214.db2.gz LTRLBVQJZORINN-UHFFFAOYSA-N 3 1 403.611 3.640 20 0 HHADMP COc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1OC ZINC000573604647 1074566220 /nfs/dbraw/zinc/56/62/20/1074566220.db2.gz LTRLBVQJZORINN-UHFFFAOYSA-N 3 1 403.611 3.640 20 0 HHADMP Cc1cc(CNC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)cc(N2CCCC2)[nH+]1 ZINC000574448225 1075257119 /nfs/dbraw/zinc/25/71/19/1075257119.db2.gz ZIIDBXFHAQWOAJ-FQEVSTJZSA-N 2 1 409.578 3.700 20 0 HHADMP Cc1cc(CNC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cc(N2CCCC2)[nH+]1 ZINC000574448225 1075257121 /nfs/dbraw/zinc/25/71/21/1075257121.db2.gz ZIIDBXFHAQWOAJ-FQEVSTJZSA-N 2 1 409.578 3.700 20 0 HHADMP C[N@@H+]1CCN(CC[NH2+][C@H](c2ccc(Br)o2)c2ccc(F)cc2)CC1(C)C ZINC000574863472 1075397382 /nfs/dbraw/zinc/39/73/82/1075397382.db2.gz LHPFYBMFSSWLPG-IBGZPJMESA-N 2 1 424.358 3.886 20 0 HHADMP C[N@H+]1CCN(CC[NH2+][C@H](c2ccc(Br)o2)c2ccc(F)cc2)CC1(C)C ZINC000574863472 1075397384 /nfs/dbraw/zinc/39/73/84/1075397384.db2.gz LHPFYBMFSSWLPG-IBGZPJMESA-N 2 1 424.358 3.886 20 0 HHADMP C[NH+](C)[C@@H]1CCCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000596438188 1075561644 /nfs/dbraw/zinc/56/16/44/1075561644.db2.gz XWVTYDNWXGQZHK-QGZVFWFLSA-N 2 1 413.393 3.693 20 0 HHADMP [NH3+][C@@H]1[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5cccs5)c43)C[C@H]21 ZINC001164440515 718986032 /nfs/dbraw/zinc/98/60/32/718986032.db2.gz OWRHKAYDESBXFK-BDQBCWGISA-N 2 1 411.600 3.799 20 0 HHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCC[C@H]5[NH2+]C[C@@H]54)c23)C1 ZINC001164448932 719000406 /nfs/dbraw/zinc/00/04/06/719000406.db2.gz KCXAMASFTMSELT-NXHRZFHOSA-N 2 1 411.619 3.743 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2ccc(Cl)nc2Cl)c2c1CC[NH2+]C2 ZINC001164685953 719605323 /nfs/dbraw/zinc/60/53/23/719605323.db2.gz XGJJFQXKTMYDMN-UHFFFAOYSA-N 2 1 404.292 3.668 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2ccc(Cl)nc2Cl)c2c1CC[NH2+]C2 ZINC001164685953 719605327 /nfs/dbraw/zinc/60/53/27/719605327.db2.gz XGJJFQXKTMYDMN-UHFFFAOYSA-N 2 1 404.292 3.668 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2ccc3c(Cl)ncnc3c2)c2c1CC[NH2+]C2 ZINC001164684277 719611115 /nfs/dbraw/zinc/61/11/15/719611115.db2.gz OCYKMLNWGZMULF-UHFFFAOYSA-N 2 1 420.895 3.563 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2ccc3c(Cl)ncnc3c2)c2c1CC[NH2+]C2 ZINC001164684277 719611129 /nfs/dbraw/zinc/61/11/29/719611129.db2.gz OCYKMLNWGZMULF-UHFFFAOYSA-N 2 1 420.895 3.563 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(-c2nc3ccc(Cl)cc3nc2Cl)c2c1CC[NH2+]C2 ZINC001164684970 719616672 /nfs/dbraw/zinc/61/66/72/719616672.db2.gz PLNRPAWQGOJARJ-UHFFFAOYSA-N 2 1 405.333 3.608 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(-c2nc3ccc(Cl)cc3nc2Cl)c2c1CC[NH2+]C2 ZINC001164684970 719616680 /nfs/dbraw/zinc/61/66/80/719616680.db2.gz PLNRPAWQGOJARJ-UHFFFAOYSA-N 2 1 405.333 3.608 20 0 HHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[NH+](CC2CC2)C[C@H]3COC)nc1 ZINC001164819025 720194557 /nfs/dbraw/zinc/19/45/57/720194557.db2.gz VNHXYIDAFZOGEQ-ARNLJNQMSA-N 2 1 412.622 3.813 20 0 HHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)nc1 ZINC001164819025 720194563 /nfs/dbraw/zinc/19/45/63/720194563.db2.gz VNHXYIDAFZOGEQ-ARNLJNQMSA-N 2 1 412.622 3.813 20 0 HHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)nc1 ZINC001164819025 720194575 /nfs/dbraw/zinc/19/45/75/720194575.db2.gz VNHXYIDAFZOGEQ-ARNLJNQMSA-N 2 1 412.622 3.813 20 0 HHADMP CCN(C)c1cc(C)[nH+]c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164838133 720655776 /nfs/dbraw/zinc/65/57/76/720655776.db2.gz GAOAZRWYWPQHQC-OAQYLSRUSA-N 2 1 409.578 3.501 20 0 HHADMP Cc1ccc(C[NH+]2CCC3(CCN(c4cc[nH+]c(N5CCOCC5)n4)CC3)CC2)cc1 ZINC001164759492 721044894 /nfs/dbraw/zinc/04/48/94/721044894.db2.gz NGBDXFQGXLBYSR-UHFFFAOYSA-N 2 1 421.589 3.504 20 0 HHADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc4[nH]ccc4c(C)[nH+]3)C2)C1 ZINC001164780779 721363464 /nfs/dbraw/zinc/36/34/64/721363464.db2.gz HIPXLEGWNYAEBJ-HSZRJFAPSA-N 2 1 409.534 3.595 20 0 HHADMP Cc1nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)cc(N2CCCC2)[nH+]1 ZINC001164792897 721490318 /nfs/dbraw/zinc/49/03/18/721490318.db2.gz NLMKJPKBUIVWLA-UHFFFAOYSA-N 2 1 406.578 3.661 20 0 HHADMP Cc1nc(N2CCCC2)cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)[nH+]1 ZINC001164792897 721490319 /nfs/dbraw/zinc/49/03/19/721490319.db2.gz NLMKJPKBUIVWLA-UHFFFAOYSA-N 2 1 406.578 3.661 20 0 HHADMP Cc1nc(N2CCCC2)cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)[nH+]1 ZINC001164792897 721490323 /nfs/dbraw/zinc/49/03/23/721490323.db2.gz NLMKJPKBUIVWLA-UHFFFAOYSA-N 2 1 406.578 3.661 20 0 HHADMP Cc1cc(N2CCCC2)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]1 ZINC001165023331 721798229 /nfs/dbraw/zinc/79/82/29/721798229.db2.gz JMVKOGLXRJVCGQ-NNWRFLSQSA-N 2 1 406.578 3.517 20 0 HHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3C[NH+]3CCCC3)C[C@@H]21 ZINC001165023255 721830529 /nfs/dbraw/zinc/83/05/29/721830529.db2.gz IKUTVQXIBBTPTN-NKKJXINNSA-N 2 1 405.590 3.809 20 0 HHADMP CC(C)(c1ccnc(Cl)c1)[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164966848 722062543 /nfs/dbraw/zinc/06/25/43/722062543.db2.gz XVGQKKILYLAFKI-UHFFFAOYSA-N 2 1 414.981 3.980 20 0 HHADMP CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976231 722157816 /nfs/dbraw/zinc/15/78/16/722157816.db2.gz VJUYDGBTENRUOI-UYAOXDASSA-N 2 1 400.954 3.588 20 0 HHADMP CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976231 722157822 /nfs/dbraw/zinc/15/78/22/722157822.db2.gz VJUYDGBTENRUOI-UYAOXDASSA-N 2 1 400.954 3.588 20 0 HHADMP CC(C)(c1ccnc(Cl)c1)[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976231 722157824 /nfs/dbraw/zinc/15/78/24/722157824.db2.gz VJUYDGBTENRUOI-UYAOXDASSA-N 2 1 400.954 3.588 20 0 HHADMP CC(C)(c1ccnc(Cl)c1)[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976231 722157829 /nfs/dbraw/zinc/15/78/29/722157829.db2.gz VJUYDGBTENRUOI-UYAOXDASSA-N 2 1 400.954 3.588 20 0 HHADMP Cc1cc(NC[C@]2([NH+]3CCOCC3)CCSC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301330073 970870426 /nfs/dbraw/zinc/87/04/26/970870426.db2.gz ALQBRGPSDVJAIY-HXUWFJFHSA-N 2 1 409.502 3.764 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000303211861 971563057 /nfs/dbraw/zinc/56/30/57/971563057.db2.gz OYFXEGAYAGWFKM-CQOQZXRMSA-N 2 1 414.638 3.608 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000303475699 971776316 /nfs/dbraw/zinc/77/63/16/971776316.db2.gz OTKNUYTUNMXAEC-FDFHNCONSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000303475699 971776319 /nfs/dbraw/zinc/77/63/19/971776319.db2.gz OTKNUYTUNMXAEC-FDFHNCONSA-N 2 1 400.611 3.660 20 0 HHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)CC1 ZINC000303550582 971848010 /nfs/dbraw/zinc/84/80/10/971848010.db2.gz JNHVHJRLMVOUAK-LJQANCHMSA-N 2 1 402.583 3.784 20 0 HHADMP CC(=O)N1CC[NH+](CCOc2ccc(CC[NH2+][C@@H](C)[C@@H](C)c3ccccc3)cc2)CC1 ZINC000542176408 1013114123 /nfs/dbraw/zinc/11/41/23/1013114123.db2.gz BBNARXSXWFZYHO-YADHBBJMSA-N 2 1 423.601 3.554 20 0 HHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2cc(OC)c(Cl)cc2OC)CC1 ZINC000303588671 971881453 /nfs/dbraw/zinc/88/14/53/971881453.db2.gz UIJWSANLIHJRAU-UHFFFAOYSA-N 2 1 411.974 3.740 20 0 HHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2cc(OC)c(Cl)cc2OC)CC1 ZINC000303588671 971881454 /nfs/dbraw/zinc/88/14/54/971881454.db2.gz UIJWSANLIHJRAU-UHFFFAOYSA-N 2 1 411.974 3.740 20 0 HHADMP COc1ccc(CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)Cc2ccccc2)cc1 ZINC000303603387 971892945 /nfs/dbraw/zinc/89/29/45/971892945.db2.gz VIJXJMHBZHVCHO-UHFFFAOYSA-N 2 1 423.601 3.729 20 0 HHADMP CC(C)(C)[N@H+]1C[C@@H](C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)[C@H](C(F)(F)F)C1 ZINC000553177614 1013137619 /nfs/dbraw/zinc/13/76/19/1013137619.db2.gz JHKSBPXZBXWFCZ-GUDVDZBRSA-N 2 1 411.512 3.849 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc(Oc4cnccn4)cc3)CC2)CC1 ZINC000537619252 1013162346 /nfs/dbraw/zinc/16/23/46/1013162346.db2.gz AIJGISFTAJYLCY-UHFFFAOYSA-N 2 1 423.605 3.897 20 0 HHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(Oc2cnccn2)cc1 ZINC000537619252 1013162356 /nfs/dbraw/zinc/16/23/56/1013162356.db2.gz AIJGISFTAJYLCY-UHFFFAOYSA-N 3 1 423.605 3.897 20 0 HHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(Oc2cnccn2)cc1 ZINC000537619252 1013162363 /nfs/dbraw/zinc/16/23/63/1013162363.db2.gz AIJGISFTAJYLCY-UHFFFAOYSA-N 3 1 423.605 3.897 20 0 HHADMP C[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000537621865 1013167226 /nfs/dbraw/zinc/16/72/26/1013167226.db2.gz GPCDMCTXVDAXAQ-NBGIEHNGSA-N 2 1 411.565 3.863 20 0 HHADMP C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000537621865 1013167232 /nfs/dbraw/zinc/16/72/32/1013167232.db2.gz GPCDMCTXVDAXAQ-NBGIEHNGSA-N 2 1 411.565 3.863 20 0 HHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCSc4ccc(F)cc43)CC2)CC1 ZINC000553211092 1013172684 /nfs/dbraw/zinc/17/26/84/1013172684.db2.gz CSJSEEFLXUVKTP-FQEVSTJZSA-N 2 1 405.583 3.675 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)cc2)C1 ZINC000553314366 1013267661 /nfs/dbraw/zinc/26/76/61/1013267661.db2.gz IKXLSKFPLJGEPS-XXBNENTESA-N 2 1 415.647 3.752 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)cc2)C1 ZINC000553314365 1013267759 /nfs/dbraw/zinc/26/77/59/1013267759.db2.gz IKXLSKFPLJGEPS-WMZHIEFXSA-N 2 1 415.647 3.752 20 0 HHADMP Cc1ccc([C@@H]2CC[N@H+]([C@@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000542316192 1013272908 /nfs/dbraw/zinc/27/29/08/1013272908.db2.gz PXOVGQLMDAAJSR-XUZZJYLKSA-N 2 1 405.586 3.954 20 0 HHADMP COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000553386066 1013318452 /nfs/dbraw/zinc/31/84/52/1013318452.db2.gz PFENPGJRJUOQMC-DEOSSOPVSA-N 2 1 421.585 3.546 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1nn(C2CCCCC2)cc1C ZINC000542367371 1013322653 /nfs/dbraw/zinc/32/26/53/1013322653.db2.gz OYLSXKIFQTXSFW-FQEVSTJZSA-N 2 1 404.603 3.577 20 0 HHADMP C[N@H+](CCC(=O)N1CCc2sccc2C1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537843413 1013405577 /nfs/dbraw/zinc/40/55/77/1013405577.db2.gz QAWVMXQVJFGKIH-UHFFFAOYSA-N 2 1 412.603 3.656 20 0 HHADMP Fc1ccc([C@H](NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c2cccnc2)cc1 ZINC000542476025 1013423515 /nfs/dbraw/zinc/42/35/15/1013423515.db2.gz SEDVCIYXVQKJHY-DEOSSOPVSA-N 2 1 405.521 3.507 20 0 HHADMP Nc1nc(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)nc2sc3c(c21)CCCC3 ZINC000537863981 1013437022 /nfs/dbraw/zinc/43/70/22/1013437022.db2.gz SIIUMHKJEWXQFO-CRAIPNDOSA-N 2 1 411.619 3.644 20 0 HHADMP Nc1nc(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)nc2sc3c(c21)CCCC3 ZINC000537863981 1013437025 /nfs/dbraw/zinc/43/70/25/1013437025.db2.gz SIIUMHKJEWXQFO-CRAIPNDOSA-N 2 1 411.619 3.644 20 0 HHADMP Nc1nc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc2sc3c(c21)CCCC3 ZINC000537863981 1013437032 /nfs/dbraw/zinc/43/70/32/1013437032.db2.gz SIIUMHKJEWXQFO-CRAIPNDOSA-N 2 1 411.619 3.644 20 0 HHADMP Nc1nc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc2sc3c(c21)CCCC3 ZINC000537863981 1013437036 /nfs/dbraw/zinc/43/70/36/1013437036.db2.gz SIIUMHKJEWXQFO-CRAIPNDOSA-N 2 1 411.619 3.644 20 0 HHADMP COc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1OC ZINC000048816563 964064541 /nfs/dbraw/zinc/06/45/41/964064541.db2.gz AGIOIUBBUNKCBB-HDICACEKSA-N 2 1 414.546 3.611 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@@H]3c3ccc(F)cc3)cc2)CC1 ZINC000025360696 964251355 /nfs/dbraw/zinc/25/13/55/964251355.db2.gz AZIMIWNDGLVXNA-HSZRJFAPSA-N 2 1 410.537 3.743 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H]3c3ccc(F)cc3)cc2)CC1 ZINC000025360696 964251368 /nfs/dbraw/zinc/25/13/68/964251368.db2.gz AZIMIWNDGLVXNA-HSZRJFAPSA-N 2 1 410.537 3.743 20 0 HHADMP COc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1Br ZINC000025362094 964251518 /nfs/dbraw/zinc/25/15/18/964251518.db2.gz ZBWYXTNLNKYOEY-KRWDZBQOSA-N 2 1 424.408 3.598 20 0 HHADMP CCOc1c(Cl)cc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1OC ZINC000025362151 964252190 /nfs/dbraw/zinc/25/21/90/964252190.db2.gz YJGJOINJLNCNMV-GOSISDBHSA-N 2 1 424.010 3.887 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000050137762 964275052 /nfs/dbraw/zinc/27/50/52/964275052.db2.gz WAKVWZOWWLOUSN-UXHICEINSA-N 2 1 406.640 3.914 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000050137762 964275062 /nfs/dbraw/zinc/27/50/62/964275062.db2.gz WAKVWZOWWLOUSN-UXHICEINSA-N 2 1 406.640 3.914 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000050137762 964275070 /nfs/dbraw/zinc/27/50/70/964275070.db2.gz WAKVWZOWWLOUSN-UXHICEINSA-N 2 1 406.640 3.914 20 0 HHADMP C[C@H](NC(=O)N(C)CCC[N@@H+](C)Cc1ccco1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000553681504 1013543020 /nfs/dbraw/zinc/54/30/20/1013543020.db2.gz PAOLFIPELXHLLD-UNMCSNQZSA-N 2 1 412.578 3.654 20 0 HHADMP C[C@H](NC(=O)N(C)CCC[NH+](C)Cc1ccco1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553681504 1013543024 /nfs/dbraw/zinc/54/30/24/1013543024.db2.gz PAOLFIPELXHLLD-UNMCSNQZSA-N 2 1 412.578 3.654 20 0 HHADMP C[C@H](NC(=O)N(C)CCC[NH+](C)Cc1ccco1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553681504 1013543030 /nfs/dbraw/zinc/54/30/30/1013543030.db2.gz PAOLFIPELXHLLD-UNMCSNQZSA-N 2 1 412.578 3.654 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000057174311 965326268 /nfs/dbraw/zinc/32/62/68/965326268.db2.gz QZHUYBYCRMVUPH-DEOSSOPVSA-N 2 1 405.586 3.988 20 0 HHADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000054608677 965581238 /nfs/dbraw/zinc/58/12/38/965581238.db2.gz SEWDIBASLLHFOK-UHFFFAOYSA-N 2 1 418.545 3.561 20 0 HHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000058467164 965743452 /nfs/dbraw/zinc/74/34/52/965743452.db2.gz AFDZQVDOPKAZLX-UHFFFAOYSA-N 2 1 408.590 3.598 20 0 HHADMP COc1ccccc1C[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000058525445 965769088 /nfs/dbraw/zinc/76/90/88/965769088.db2.gz ISJGOJZTQCEHDD-DEOSSOPVSA-N 2 1 421.585 3.614 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000058883943 965940261 /nfs/dbraw/zinc/94/02/61/965940261.db2.gz DYUFHPDPOTVLCG-MHXAIHSWSA-N 2 1 401.570 3.902 20 0 HHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000058883943 965940268 /nfs/dbraw/zinc/94/02/68/965940268.db2.gz DYUFHPDPOTVLCG-MHXAIHSWSA-N 2 1 401.570 3.902 20 0 HHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000058883943 965940278 /nfs/dbraw/zinc/94/02/78/965940278.db2.gz DYUFHPDPOTVLCG-MHXAIHSWSA-N 2 1 401.570 3.902 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(OC)c1 ZINC000059951598 966045159 /nfs/dbraw/zinc/04/51/59/966045159.db2.gz JQHJMCZUVWFZAI-BJKOFHAPSA-N 2 1 409.574 3.859 20 0 HHADMP CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[N@H+](C(C)(C)C)CC3)cc2)CC1 ZINC000060545048 966197809 /nfs/dbraw/zinc/19/78/09/966197809.db2.gz UKRVJQUHRNLVSX-UHFFFAOYSA-N 2 1 400.611 3.934 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000538058159 1013634839 /nfs/dbraw/zinc/63/48/39/1013634839.db2.gz RNJNRUKJNAVHMK-ZWKOTPCHSA-N 2 1 401.576 3.559 20 0 HHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000061550710 966497194 /nfs/dbraw/zinc/49/71/94/966497194.db2.gz GIXXWYRJHIIDFE-UHFFFAOYSA-N 2 1 408.590 3.776 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCc3cccc(C[NH+](C)C)c3)cc2)C1 ZINC000061868711 966568351 /nfs/dbraw/zinc/56/83/51/966568351.db2.gz XWHOPDCIYWIGAG-HXUWFJFHSA-N 2 1 408.590 3.980 20 0 HHADMP CN(CCC[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000542754941 1013661973 /nfs/dbraw/zinc/66/19/73/1013661973.db2.gz IXIYLYACTNMSOA-MJGOQNOKSA-N 2 1 414.516 3.681 20 0 HHADMP CN(CCC[NH+](C)C)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000542760829 1013666694 /nfs/dbraw/zinc/66/66/94/1013666694.db2.gz JNPIIHYTUNNOBB-UHFFFAOYSA-N 2 1 401.382 3.551 20 0 HHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000062649619 966721821 /nfs/dbraw/zinc/72/18/21/966721821.db2.gz OLPWJXREFNDXPD-XMMPIXPASA-N 2 1 420.601 3.862 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000063464429 966867580 /nfs/dbraw/zinc/86/75/80/966867580.db2.gz KJMXHRATBGIEQY-CTNGQTDRSA-N 2 1 400.592 3.562 20 0 HHADMP O=C(NCCCCC[NH+]1CCCCC1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553895440 1013683030 /nfs/dbraw/zinc/68/30/30/1013683030.db2.gz KIASNDDOLLNPLD-VWLOTQADSA-N 2 1 412.622 3.950 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC[C@@H](C3CCCCC3)[NH+](C)C)cc2)C[C@H](C)O1 ZINC000063804117 966963900 /nfs/dbraw/zinc/96/39/00/966963900.db2.gz DQUJEDDARHRQPX-YYDVJCTNSA-N 2 1 401.595 3.536 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC[C@@H](C3CCCCC3)[NH+](C)C)cc2)C[C@H](C)O1 ZINC000063804117 966963905 /nfs/dbraw/zinc/96/39/05/966963905.db2.gz DQUJEDDARHRQPX-YYDVJCTNSA-N 2 1 401.595 3.536 20 0 HHADMP C[C@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542830219 1013695766 /nfs/dbraw/zinc/69/57/66/1013695766.db2.gz WRJRGDVYSMYONG-YRISNDGFSA-N 2 1 407.002 3.895 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCOc4cc(F)ccc43)c2)C1 ZINC000542844328 1013703999 /nfs/dbraw/zinc/70/39/99/1013703999.db2.gz RIBXIMPOQWCISN-KNQAVFIVSA-N 2 1 411.521 3.527 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(N2CCCC2=O)c1 ZINC000542848722 1013707132 /nfs/dbraw/zinc/70/71/32/1013707132.db2.gz AYGYBKIWHFLYSD-NTKDMRAZSA-N 2 1 407.558 3.621 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000045462135 967467643 /nfs/dbraw/zinc/46/76/43/967467643.db2.gz YIULKTCCRBTALB-UHFFFAOYSA-N 2 1 407.002 3.678 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000045462135 967467651 /nfs/dbraw/zinc/46/76/51/967467651.db2.gz YIULKTCCRBTALB-UHFFFAOYSA-N 2 1 407.002 3.678 20 0 HHADMP COc1cccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)c1 ZINC000065518571 967503381 /nfs/dbraw/zinc/50/33/81/967503381.db2.gz KSNWOOSSWMWSBY-ZJSXRUAMSA-N 2 1 424.589 3.509 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000065522183 967505571 /nfs/dbraw/zinc/50/55/71/967505571.db2.gz SDCMFQUBXJBBGR-HJNYFJLDSA-N 2 1 410.562 3.941 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000045757759 967548378 /nfs/dbraw/zinc/54/83/78/967548378.db2.gz MPQRDXRIKNTOBX-FQEVSTJZSA-N 2 1 400.611 3.771 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC(C[NH+]4CCCC4)CC3)cc2)C1 ZINC000045788075 967552494 /nfs/dbraw/zinc/55/24/94/967552494.db2.gz WNZURWPKTLPDIM-OAQYLSRUSA-N 2 1 412.622 3.936 20 0 HHADMP C[NH+](C)Cc1cccc(CNC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000046926299 968011095 /nfs/dbraw/zinc/01/10/95/968011095.db2.gz SHDZKHQAAMWCIE-UHFFFAOYSA-N 2 1 414.981 3.819 20 0 HHADMP C[NH+](C)Cc1cccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000046926299 968011106 /nfs/dbraw/zinc/01/11/06/968011106.db2.gz SHDZKHQAAMWCIE-UHFFFAOYSA-N 2 1 414.981 3.819 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ncc(C)c(OC)c2C)CC1 ZINC000538210027 1013763769 /nfs/dbraw/zinc/76/37/69/1013763769.db2.gz ARKQEJNNVJSIBC-SFHVURJKSA-N 2 1 400.542 3.839 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000554031431 1013764131 /nfs/dbraw/zinc/76/41/31/1013764131.db2.gz GIBVMBRKYPKZHD-QQOZLPODSA-N 2 1 420.548 3.757 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000554031431 1013764135 /nfs/dbraw/zinc/76/41/35/1013764135.db2.gz GIBVMBRKYPKZHD-QQOZLPODSA-N 2 1 420.548 3.757 20 0 HHADMP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000065931435 968721631 /nfs/dbraw/zinc/72/16/31/968721631.db2.gz PACSTXYNQIKODP-NRFANRHFSA-N 2 1 415.528 3.767 20 0 HHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)[NH+](C)C ZINC000554146490 1013821975 /nfs/dbraw/zinc/82/19/75/1013821975.db2.gz XXMJZMOBFIXVDU-YKSBVNFPSA-N 2 1 424.589 3.683 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000071919685 968889792 /nfs/dbraw/zinc/88/97/92/968889792.db2.gz QMXLEQNZNWBPTF-XJUOHMSHSA-N 2 1 400.611 3.881 20 0 HHADMP Cc1cccc(C[NH+]2CCN(C(=O)NC3CC[NH+](Cc4ccc(F)cc4)CC3)CC2)c1 ZINC000071997251 968921720 /nfs/dbraw/zinc/92/17/20/968921720.db2.gz VFXAOZFZPNHKTO-UHFFFAOYSA-N 2 1 424.564 3.626 20 0 HHADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000072097327 968990360 /nfs/dbraw/zinc/99/03/60/968990360.db2.gz LTNCDACCKOJZCD-SFHVURJKSA-N 2 1 409.530 3.586 20 0 HHADMP CC(C)[C@H](CNC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)[NH+]1CCC(C)CC1 ZINC000078872723 969020259 /nfs/dbraw/zinc/02/02/59/969020259.db2.gz GUCXPGWVNNHULY-REWPJTCUSA-N 2 1 416.610 3.958 20 0 HHADMP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)cc2F)CC1 ZINC000097545715 969155126 /nfs/dbraw/zinc/15/51/26/969155126.db2.gz XINUSMNMWFGCGP-XMMPIXPASA-N 2 1 424.564 3.959 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000109015964 969449858 /nfs/dbraw/zinc/44/98/58/969449858.db2.gz NNKBPNGIGDJTSU-ISKFKSNPSA-N 2 1 409.549 3.991 20 0 HHADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000139867038 970050075 /nfs/dbraw/zinc/05/00/75/970050075.db2.gz WRRYLAMJTPQFDM-UHFFFAOYSA-N 2 1 402.608 3.718 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(OC)cc2OC)CC1 ZINC000236985189 970201460 /nfs/dbraw/zinc/20/14/60/970201460.db2.gz FXLMGJXYLCSIKC-KRWDZBQOSA-N 2 1 401.526 3.836 20 0 HHADMP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000237171880 970235086 /nfs/dbraw/zinc/23/50/86/970235086.db2.gz OIHBXZGDXJPHEH-UHFFFAOYSA-N 2 1 424.420 3.664 20 0 HHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000237176570 970235735 /nfs/dbraw/zinc/23/57/35/970235735.db2.gz GGLKMTLZMFINFS-INIZCTEOSA-N 2 1 404.352 3.855 20 0 HHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000237176570 970235739 /nfs/dbraw/zinc/23/57/39/970235739.db2.gz GGLKMTLZMFINFS-INIZCTEOSA-N 2 1 404.352 3.855 20 0 HHADMP C[N@H+]1CCCN(CCC[NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000237173447 970235919 /nfs/dbraw/zinc/23/59/19/970235919.db2.gz RXFHWIBGRKRTCD-UHFFFAOYSA-N 2 1 412.525 3.946 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[NH2+][C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2cc1C ZINC000554540717 1013973959 /nfs/dbraw/zinc/97/39/59/1013973959.db2.gz FMGXGZHMWJYQCE-AKIFATBCSA-N 2 1 406.574 3.514 20 0 HHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237519392 970306708 /nfs/dbraw/zinc/30/67/08/970306708.db2.gz BRHZKSZUKFOXOM-NRFANRHFSA-N 2 1 405.586 3.999 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3(c4ccccc4)CC[NH2+]CC3)cc2)C1 ZINC000237525678 970307768 /nfs/dbraw/zinc/30/77/68/970307768.db2.gz QUQMYBUXAPNVON-OAQYLSRUSA-N 2 1 405.586 3.856 20 0 HHADMP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1OC ZINC000554560229 1013977967 /nfs/dbraw/zinc/97/79/67/1013977967.db2.gz CQTUFORZZXWGKN-QUCCMNQESA-N 2 1 417.619 3.583 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]Cc2cccc(C(F)(F)F)c2)c1 ZINC000237675914 970337029 /nfs/dbraw/zinc/33/70/29/970337029.db2.gz XYBBDAUILGJSLS-UHFFFAOYSA-N 2 1 421.463 3.656 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(OC(F)(F)F)cc3)c2)C1 ZINC000237934265 970398138 /nfs/dbraw/zinc/39/81/38/970398138.db2.gz KSVSMCIEUZZRBW-IBGZPJMESA-N 2 1 421.463 3.572 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NCCCC[N@H+]3CCC[C@H](C)C3)cc2)C[C@H](C)O1 ZINC000149443925 970398415 /nfs/dbraw/zinc/39/84/15/970398415.db2.gz IDLBMJQQSMSITP-PCCBWWKXSA-N 2 1 401.595 3.538 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NCCCC[N@@H+]3CCC[C@H](C)C3)cc2)C[C@H](C)O1 ZINC000149443925 970398424 /nfs/dbraw/zinc/39/84/24/970398424.db2.gz IDLBMJQQSMSITP-PCCBWWKXSA-N 2 1 401.595 3.538 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCCCC[NH+]3CCC[C@H](C)C3)cc2)C[C@H](C)O1 ZINC000149443925 970398435 /nfs/dbraw/zinc/39/84/35/970398435.db2.gz IDLBMJQQSMSITP-PCCBWWKXSA-N 2 1 401.595 3.538 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCCCC[NH+]3CCC[C@H](C)C3)cc2)C[C@H](C)O1 ZINC000149443925 970398451 /nfs/dbraw/zinc/39/84/51/970398451.db2.gz IDLBMJQQSMSITP-PCCBWWKXSA-N 2 1 401.595 3.538 20 0 HHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000554779791 1014045475 /nfs/dbraw/zinc/04/54/75/1014045475.db2.gz KNYPTCMEPHOHQV-QHCPKHFHSA-N 2 1 410.562 3.928 20 0 HHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000554779791 1014045479 /nfs/dbraw/zinc/04/54/79/1014045479.db2.gz KNYPTCMEPHOHQV-QHCPKHFHSA-N 2 1 410.562 3.928 20 0 HHADMP Brc1cc2c(c(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)c1)OCC2 ZINC000311179845 972625869 /nfs/dbraw/zinc/62/58/69/972625869.db2.gz XZEPXZSHXUZSOI-KRWDZBQOSA-N 2 1 401.348 3.996 20 0 HHADMP Brc1cc2c(c(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c1)OCC2 ZINC000311179845 972625872 /nfs/dbraw/zinc/62/58/72/972625872.db2.gz XZEPXZSHXUZSOI-KRWDZBQOSA-N 2 1 401.348 3.996 20 0 HHADMP COc1c(Br)cc(Br)cc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392273679 972851485 /nfs/dbraw/zinc/85/14/85/972851485.db2.gz FGUXSKSBNBQHOM-UHFFFAOYSA-N 2 1 404.146 3.572 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000398164275 972876808 /nfs/dbraw/zinc/87/68/08/972876808.db2.gz SRXLERZEWMWTEX-HBGVWJBISA-N 2 1 403.364 3.983 20 0 HHADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000554848591 1014073688 /nfs/dbraw/zinc/07/36/88/1014073688.db2.gz OFXURJPEXNVFQR-HOJAQTOUSA-N 2 1 423.523 3.820 20 0 HHADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000554848591 1014073691 /nfs/dbraw/zinc/07/36/91/1014073691.db2.gz OFXURJPEXNVFQR-HOJAQTOUSA-N 2 1 423.523 3.820 20 0 HHADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000554848591 1014073694 /nfs/dbraw/zinc/07/36/94/1014073694.db2.gz OFXURJPEXNVFQR-HOJAQTOUSA-N 2 1 423.523 3.820 20 0 HHADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000554848591 1014073697 /nfs/dbraw/zinc/07/36/97/1014073697.db2.gz OFXURJPEXNVFQR-HOJAQTOUSA-N 2 1 423.523 3.820 20 0 HHADMP COc1ccc(CN(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1Br ZINC000425963046 974066702 /nfs/dbraw/zinc/06/67/02/974066702.db2.gz BAMYENBWWVRYKO-OAQYLSRUSA-N 2 1 419.363 3.527 20 0 HHADMP COc1ccc(C[N@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)cc1Br ZINC000425963046 974066713 /nfs/dbraw/zinc/06/67/13/974066713.db2.gz BAMYENBWWVRYKO-OAQYLSRUSA-N 2 1 419.363 3.527 20 0 HHADMP COc1ccc(C[N@@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)cc1Br ZINC000425963046 974066724 /nfs/dbraw/zinc/06/67/24/974066724.db2.gz BAMYENBWWVRYKO-OAQYLSRUSA-N 2 1 419.363 3.527 20 0 HHADMP CC[N@@H+](CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)CCC(F)(F)F ZINC000425977048 974086999 /nfs/dbraw/zinc/08/69/99/974086999.db2.gz JBPAXGJYWPKHMD-MJGOQNOKSA-N 2 1 414.516 3.613 20 0 HHADMP CC[NH+](CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)CCC(F)(F)F ZINC000425977048 974087011 /nfs/dbraw/zinc/08/70/11/974087011.db2.gz JBPAXGJYWPKHMD-MJGOQNOKSA-N 2 1 414.516 3.613 20 0 HHADMP CC[NH+](CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)CCC(F)(F)F ZINC000425977048 974087022 /nfs/dbraw/zinc/08/70/22/974087022.db2.gz JBPAXGJYWPKHMD-MJGOQNOKSA-N 2 1 414.516 3.613 20 0 HHADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc(N2CCCC2)n1 ZINC000426285413 974371513 /nfs/dbraw/zinc/37/15/13/974371513.db2.gz BDEYYXKGLRZYCM-GMKZXUHWSA-N 2 1 405.590 3.776 20 0 HHADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc(N2CCCC2)n1 ZINC000426285413 974371517 /nfs/dbraw/zinc/37/15/17/974371517.db2.gz BDEYYXKGLRZYCM-GMKZXUHWSA-N 2 1 405.590 3.776 20 0 HHADMP CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000426789617 974660935 /nfs/dbraw/zinc/66/09/35/974660935.db2.gz WIBMJFSOFSCDDQ-QRVBRYPASA-N 2 1 419.635 3.947 20 0 HHADMP CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000427674023 975233963 /nfs/dbraw/zinc/23/39/63/975233963.db2.gz YRNVGJIQGBTYQN-XJUOHMSHSA-N 2 1 418.622 3.761 20 0 HHADMP CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1Cl ZINC000428398511 975718725 /nfs/dbraw/zinc/71/87/25/975718725.db2.gz FULZZNDUMLNXHQ-CALCHBBNSA-N 2 1 423.001 3.613 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)[nH+]c1 ZINC000428906086 976208658 /nfs/dbraw/zinc/20/86/58/976208658.db2.gz JZANOFAMJZDMII-NZQKXSOJSA-N 2 1 421.589 3.711 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)[nH+]c1 ZINC000428906086 976208667 /nfs/dbraw/zinc/20/86/67/976208667.db2.gz JZANOFAMJZDMII-NZQKXSOJSA-N 2 1 421.589 3.711 20 0 HHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc4c(Br)cccc34)C2)CC1 ZINC000429042072 976327443 /nfs/dbraw/zinc/32/74/43/976327443.db2.gz CZXQNBDDYOBISC-GOSISDBHSA-N 2 1 402.380 3.814 20 0 HHADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000429049093 976334919 /nfs/dbraw/zinc/33/49/19/976334919.db2.gz OECSLBBTOSGSQB-LJQANCHMSA-N 2 1 423.582 3.842 20 0 HHADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000429049093 976334932 /nfs/dbraw/zinc/33/49/32/976334932.db2.gz OECSLBBTOSGSQB-LJQANCHMSA-N 2 1 423.582 3.842 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000429068007 976353563 /nfs/dbraw/zinc/35/35/63/976353563.db2.gz BHTAPUNCWHYUDQ-REHUZNOOSA-N 2 1 421.589 3.742 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000429239570 976529549 /nfs/dbraw/zinc/52/95/49/976529549.db2.gz VDRHYTXFLICZOD-AWEZNQCLSA-N 2 1 408.449 3.506 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000429239570 976529554 /nfs/dbraw/zinc/52/95/54/976529554.db2.gz VDRHYTXFLICZOD-AWEZNQCLSA-N 2 1 408.449 3.506 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000429262629 976550994 /nfs/dbraw/zinc/55/09/94/976550994.db2.gz VFWXUDPGGPSDCR-FQEVSTJZSA-N 2 1 404.505 3.627 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000429262629 976551006 /nfs/dbraw/zinc/55/10/06/976551006.db2.gz VFWXUDPGGPSDCR-FQEVSTJZSA-N 2 1 404.505 3.627 20 0 HHADMP C[NH+](C)CCc1ccccc1NC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000429636764 976927626 /nfs/dbraw/zinc/92/76/26/976927626.db2.gz URYVOUGSOBMANI-OAQYLSRUSA-N 2 1 412.603 3.530 20 0 HHADMP C[NH+](C)CCc1ccccc1NC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000429636764 976927636 /nfs/dbraw/zinc/92/76/36/976927636.db2.gz URYVOUGSOBMANI-OAQYLSRUSA-N 2 1 412.603 3.530 20 0 HHADMP Clc1ccccc1-c1ccc(C[NH+]2CCN(CC[N@@H+]3CCCOCC3)CC2)s1 ZINC000429710343 977003294 /nfs/dbraw/zinc/00/32/94/977003294.db2.gz VUYRCBULYZTILZ-UHFFFAOYSA-N 2 1 420.022 3.908 20 0 HHADMP Clc1ccccc1-c1ccc(C[NH+]2CCN(CC[N@H+]3CCCOCC3)CC2)s1 ZINC000429710343 977003302 /nfs/dbraw/zinc/00/33/02/977003302.db2.gz VUYRCBULYZTILZ-UHFFFAOYSA-N 2 1 420.022 3.908 20 0 HHADMP COc1ccccc1-c1ncc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000430067670 977306282 /nfs/dbraw/zinc/30/62/82/977306282.db2.gz UNMJEHWTQFEICU-UHFFFAOYSA-N 2 1 403.530 3.896 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccccc1Br ZINC000430676689 977687783 /nfs/dbraw/zinc/68/77/83/977687783.db2.gz PCPUXALRYPKWMD-UHFFFAOYSA-N 2 1 422.411 3.717 20 0 HHADMP C[C@H](Oc1ccccc1Cl)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430678126 977688954 /nfs/dbraw/zinc/68/89/54/977688954.db2.gz IECPWEIYYLTDMM-SFHVURJKSA-N 2 1 422.013 3.762 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C/C=C\c1ccccc1F ZINC000430680850 977691795 /nfs/dbraw/zinc/69/17/95/977691795.db2.gz ZEBAQXAVOJPWCI-ALCCZGGFSA-N 2 1 401.570 3.884 20 0 HHADMP Cc1ccc(C(=O)CCC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000430682413 977692433 /nfs/dbraw/zinc/69/24/33/977692433.db2.gz SRRGFDLXUJZJNT-UHFFFAOYSA-N 2 1 413.606 3.613 20 0 HHADMP COc1cccc(COC[C@H](O)C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000430827725 977783573 /nfs/dbraw/zinc/78/35/73/977783573.db2.gz OHTCJGDOLIMUGV-FGCOXFRFSA-N 2 1 412.574 3.558 20 0 HHADMP COc1cccc(COC[C@H](O)C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000430827725 977783583 /nfs/dbraw/zinc/78/35/83/977783583.db2.gz OHTCJGDOLIMUGV-FGCOXFRFSA-N 2 1 412.574 3.558 20 0 HHADMP COc1cccc(COC[C@H](O)C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000430827725 977783587 /nfs/dbraw/zinc/78/35/87/977783587.db2.gz OHTCJGDOLIMUGV-FGCOXFRFSA-N 2 1 412.574 3.558 20 0 HHADMP COc1cccc(COC[C@H](O)C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000430827725 977783590 /nfs/dbraw/zinc/78/35/90/977783590.db2.gz OHTCJGDOLIMUGV-FGCOXFRFSA-N 2 1 412.574 3.558 20 0 HHADMP Cc1ccc(Cl)cc1NC(=O)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430916922 977884540 /nfs/dbraw/zinc/88/45/40/977884540.db2.gz XDSIIAKKNDAIQC-UHFFFAOYSA-N 2 1 421.029 3.715 20 0 HHADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1F ZINC000430947261 977907971 /nfs/dbraw/zinc/90/79/71/977907971.db2.gz AGQYGEKJOQIOCZ-IBGZPJMESA-N 2 1 418.601 3.589 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cnc(C(C)(C)C)s1 ZINC000431001685 977946544 /nfs/dbraw/zinc/94/65/44/977946544.db2.gz WHCYCAHXLXKETF-UHFFFAOYSA-N 2 1 406.640 3.709 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1cccc2cccnc21 ZINC000431067582 977998346 /nfs/dbraw/zinc/99/83/46/977998346.db2.gz QQSKXVZBTIONOQ-UHFFFAOYSA-N 2 1 409.578 3.895 20 0 HHADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431286238 978172447 /nfs/dbraw/zinc/17/24/47/978172447.db2.gz XDSUHRBTKNNRQP-VXKWHMMOSA-N 2 1 412.622 3.805 20 0 HHADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000431569459 978363809 /nfs/dbraw/zinc/36/38/09/978363809.db2.gz HYARLCZBLRPYAA-CTNGQTDRSA-N 2 1 406.640 3.680 20 0 HHADMP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)CC1 ZINC000431647850 978406827 /nfs/dbraw/zinc/40/68/27/978406827.db2.gz LSTACJNWAGRXBS-GOSISDBHSA-N 2 1 406.640 3.552 20 0 HHADMP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)CC1 ZINC000431647850 978406829 /nfs/dbraw/zinc/40/68/29/978406829.db2.gz LSTACJNWAGRXBS-GOSISDBHSA-N 2 1 406.640 3.552 20 0 HHADMP Cc1ccc(CC[C@H](C)NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000431661411 978418874 /nfs/dbraw/zinc/41/88/74/978418874.db2.gz PZARMESTLMFEIM-IBGZPJMESA-N 2 1 418.626 3.747 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000431672887 978426933 /nfs/dbraw/zinc/42/69/33/978426933.db2.gz JLLAAEMJMFZAGT-SXSPYAJSSA-N 2 1 412.553 3.781 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000431674768 978427977 /nfs/dbraw/zinc/42/79/77/978427977.db2.gz UUYCBFFIZTYDLC-BHDDXSALSA-N 2 1 404.643 3.793 20 0 HHADMP Cc1ccc(CCNC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000431773197 978501307 /nfs/dbraw/zinc/50/13/07/978501307.db2.gz AUUWOOXDLBQFGX-UHFFFAOYSA-N 2 1 414.638 3.684 20 0 HHADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000431782869 978510030 /nfs/dbraw/zinc/51/00/30/978510030.db2.gz HISGGZDPLUAUAE-UHFFFAOYSA-N 2 1 420.561 3.529 20 0 HHADMP Cc1ccc([C@@H](C)NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000431783621 978510793 /nfs/dbraw/zinc/51/07/93/978510793.db2.gz UHJANOQFGIWPIO-HXUWFJFHSA-N 2 1 400.611 3.894 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCc1cccc2cccnc21 ZINC000431800047 978522744 /nfs/dbraw/zinc/52/27/44/978522744.db2.gz VRNMOYNJDMTMBA-UHFFFAOYSA-N 2 1 423.605 3.573 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ncnc2sc3c(c21)CCC3 ZINC000431821154 978537123 /nfs/dbraw/zinc/53/71/23/978537123.db2.gz JVYNTESUHVUJER-UHFFFAOYSA-N 2 1 413.635 3.813 20 0 HHADMP CCc1cc2c(ncnc2N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000431830824 978542581 /nfs/dbraw/zinc/54/25/81/978542581.db2.gz DHVJIWHFDYLPAX-UHFFFAOYSA-N 2 1 401.624 3.886 20 0 HHADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431968979 978622814 /nfs/dbraw/zinc/62/28/14/978622814.db2.gz CPCAHGDLDOMUOQ-QFIPXVFZSA-N 2 1 410.606 3.701 20 0 HHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000432688852 978937345 /nfs/dbraw/zinc/93/73/45/978937345.db2.gz FWHILSQULUZYOB-IBGZPJMESA-N 2 1 402.583 3.745 20 0 HHADMP COc1ccc(C[C@@H](C)C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1F ZINC000432882640 978999928 /nfs/dbraw/zinc/99/99/28/978999928.db2.gz BPSABKPWQUKFDF-KNQAVFIVSA-N 2 1 400.538 3.894 20 0 HHADMP COc1ccc(C[C@@H](C)C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1F ZINC000432882640 978999932 /nfs/dbraw/zinc/99/99/32/978999932.db2.gz BPSABKPWQUKFDF-KNQAVFIVSA-N 2 1 400.538 3.894 20 0 HHADMP C[C@H](C(=O)NCCc1cccs1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433051985 979052958 /nfs/dbraw/zinc/05/29/58/979052958.db2.gz JMCNKUFJLCSTQH-HXUWFJFHSA-N 2 1 411.615 3.783 20 0 HHADMP COc1ccc(CN(C)C(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000433072430 979058586 /nfs/dbraw/zinc/05/85/86/979058586.db2.gz BRNXYJPUUGKZDX-UHFFFAOYSA-N 2 1 421.585 3.642 20 0 HHADMP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N1CCC[C@@H](C(F)(F)F)C1 ZINC000433186580 979127852 /nfs/dbraw/zinc/12/78/52/979127852.db2.gz FLCHTOKRFVVIDI-HXUWFJFHSA-N 2 1 423.523 3.775 20 0 HHADMP COc1ccccc1[C@@H](C)NC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433194302 979132825 /nfs/dbraw/zinc/13/28/25/979132825.db2.gz VTAVGYKLNHILDW-OAQYLSRUSA-N 2 1 421.585 3.861 20 0 HHADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000433350002 979253866 /nfs/dbraw/zinc/25/38/66/979253866.db2.gz DJQRADZCEQENAG-UHFFFAOYSA-N 2 1 420.561 3.529 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000433899791 979661086 /nfs/dbraw/zinc/66/10/86/979661086.db2.gz BDUPCUORVQQMCV-JOCHJYFZSA-N 2 1 410.562 3.728 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000433899791 979661089 /nfs/dbraw/zinc/66/10/89/979661089.db2.gz BDUPCUORVQQMCV-JOCHJYFZSA-N 2 1 410.562 3.728 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433899791 979661093 /nfs/dbraw/zinc/66/10/93/979661093.db2.gz BDUPCUORVQQMCV-JOCHJYFZSA-N 2 1 410.562 3.728 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433899791 979661098 /nfs/dbraw/zinc/66/10/98/979661098.db2.gz BDUPCUORVQQMCV-JOCHJYFZSA-N 2 1 410.562 3.728 20 0 HHADMP Cc1ccc(NC(=O)Cc2nc(C[NH+]3CCC(CC[NH+](C)C)CC3)cs2)cc1 ZINC000434817205 980420265 /nfs/dbraw/zinc/42/02/65/980420265.db2.gz SOBCXZYAQBLCJT-UHFFFAOYSA-N 2 1 400.592 3.796 20 0 HHADMP CC(=O)N1CC[NH+](Cc2cccc(NCC(C)(C)C[N@H+](C)Cc3ccccc3)c2)CC1 ZINC000436407894 981352526 /nfs/dbraw/zinc/35/25/26/981352526.db2.gz JUGRZZGEKISPIZ-UHFFFAOYSA-N 2 1 422.617 3.921 20 0 HHADMP CC(=O)N1CC[NH+](Cc2cccc(NCC(C)(C)C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000436407894 981352527 /nfs/dbraw/zinc/35/25/27/981352527.db2.gz JUGRZZGEKISPIZ-UHFFFAOYSA-N 2 1 422.617 3.921 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000448203201 981615438 /nfs/dbraw/zinc/61/54/38/981615438.db2.gz HNVVVJJQBVRKHO-XALAGWIPSA-N 2 1 412.622 3.849 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000448203201 981615440 /nfs/dbraw/zinc/61/54/40/981615440.db2.gz HNVVVJJQBVRKHO-XALAGWIPSA-N 2 1 412.622 3.849 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000448203201 981615442 /nfs/dbraw/zinc/61/54/42/981615442.db2.gz HNVVVJJQBVRKHO-XALAGWIPSA-N 2 1 412.622 3.849 20 0 HHADMP CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC(Cc4[nH+]ccn4C)CC3)c2)CC1 ZINC000448209479 981623636 /nfs/dbraw/zinc/62/36/36/981623636.db2.gz RFXGRFVXURXIHX-UHFFFAOYSA-N 2 1 423.605 3.816 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000448210963 981624859 /nfs/dbraw/zinc/62/48/59/981624859.db2.gz DVAOOSSXJHFKGD-MDNUFGMLSA-N 2 1 400.611 3.707 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000448210963 981624863 /nfs/dbraw/zinc/62/48/63/981624863.db2.gz DVAOOSSXJHFKGD-MDNUFGMLSA-N 2 1 400.611 3.707 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000448210963 981624867 /nfs/dbraw/zinc/62/48/67/981624867.db2.gz DVAOOSSXJHFKGD-MDNUFGMLSA-N 2 1 400.611 3.707 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000448211653 981625434 /nfs/dbraw/zinc/62/54/34/981625434.db2.gz HTNARSARNMKQHO-WOJBJXKFSA-N 2 1 406.640 3.627 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000448211653 981625437 /nfs/dbraw/zinc/62/54/37/981625437.db2.gz HTNARSARNMKQHO-WOJBJXKFSA-N 2 1 406.640 3.627 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000448211653 981625443 /nfs/dbraw/zinc/62/54/43/981625443.db2.gz HTNARSARNMKQHO-WOJBJXKFSA-N 2 1 406.640 3.627 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000448212812 981627056 /nfs/dbraw/zinc/62/70/56/981627056.db2.gz LYIHINVPFUMVQI-YJRNTSOCSA-N 2 1 410.606 3.698 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000448212812 981627058 /nfs/dbraw/zinc/62/70/58/981627058.db2.gz LYIHINVPFUMVQI-YJRNTSOCSA-N 2 1 410.606 3.698 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000448212812 981627070 /nfs/dbraw/zinc/62/70/70/981627070.db2.gz LYIHINVPFUMVQI-YJRNTSOCSA-N 2 1 410.606 3.698 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000448217450 981631912 /nfs/dbraw/zinc/63/19/12/981631912.db2.gz MIJUZLYIJQGLLG-OAQYLSRUSA-N 2 1 400.611 3.627 20 0 HHADMP C[C@@H](C(=O)N1CCC(Cc2[nH+]ccn2C)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000448262103 981660906 /nfs/dbraw/zinc/66/09/06/981660906.db2.gz UTPFNWXPWJJTAW-FQEVSTJZSA-N 2 1 408.590 3.544 20 0 HHADMP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000437056584 981728064 /nfs/dbraw/zinc/72/80/64/981728064.db2.gz LERMJWSJGMNUHS-LADGPHEKSA-N 2 1 423.626 3.757 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000437056584 981728068 /nfs/dbraw/zinc/72/80/68/981728068.db2.gz LERMJWSJGMNUHS-LADGPHEKSA-N 2 1 423.626 3.757 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000448400994 981754313 /nfs/dbraw/zinc/75/43/13/981754313.db2.gz BVDJJDMFKOTTOO-OAQYLSRUSA-N 2 1 418.651 3.767 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)[C@H](C)C1 ZINC000448461672 981795304 /nfs/dbraw/zinc/79/53/04/981795304.db2.gz NCHDRFHOITUJEY-WTIAFYNJSA-N 2 1 416.610 3.594 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)[C@H](C)C1 ZINC000448461685 981795337 /nfs/dbraw/zinc/79/53/37/981795337.db2.gz NGBYUQGICAQBLX-DYESRHJHSA-N 2 1 407.002 3.676 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)[C@H](C)C1 ZINC000448464802 981798946 /nfs/dbraw/zinc/79/89/46/981798946.db2.gz GBZSIBCAHYRBRP-OFNKIYASSA-N 2 1 400.611 3.934 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)[C@H](C)C1 ZINC000448468166 981805443 /nfs/dbraw/zinc/80/54/43/981805443.db2.gz UMYRMALVNNXQIA-NFBKMPQASA-N 2 1 400.611 3.790 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000448468206 981805643 /nfs/dbraw/zinc/80/56/43/981805643.db2.gz UQFIZKOPMBOCRY-SBHAEUEKSA-N 2 1 406.640 3.798 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000448468206 981805656 /nfs/dbraw/zinc/80/56/56/981805656.db2.gz UQFIZKOPMBOCRY-SBHAEUEKSA-N 2 1 406.640 3.798 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000448468206 981805668 /nfs/dbraw/zinc/80/56/68/981805668.db2.gz UQFIZKOPMBOCRY-SBHAEUEKSA-N 2 1 406.640 3.798 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000448472120 981813669 /nfs/dbraw/zinc/81/36/69/981813669.db2.gz NNRRTMNVLASYNP-PKTZIBPZSA-N 2 1 400.611 3.518 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000448472120 981813685 /nfs/dbraw/zinc/81/36/85/981813685.db2.gz NNRRTMNVLASYNP-PKTZIBPZSA-N 2 1 400.611 3.518 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000448472120 981813701 /nfs/dbraw/zinc/81/37/01/981813701.db2.gz NNRRTMNVLASYNP-PKTZIBPZSA-N 2 1 400.611 3.518 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000448475854 981818139 /nfs/dbraw/zinc/81/81/39/981818139.db2.gz WSIMCWXPAFJXGA-FYYLOGMGSA-N 2 1 400.611 3.660 20 0 HHADMP C[NH+](C)Cc1cc(CNC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)ccc1F ZINC000460338291 982110545 /nfs/dbraw/zinc/11/05/45/982110545.db2.gz IXAUJBJJNBASIU-GMAHTHKFSA-N 2 1 424.564 3.551 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N1CCSc2ccccc21 ZINC000460357753 982131690 /nfs/dbraw/zinc/13/16/90/982131690.db2.gz UZBOCPFHYBXUFS-RTBURBONSA-N 2 1 409.599 3.872 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000460387080 982166836 /nfs/dbraw/zinc/16/68/36/982166836.db2.gz OEGBBZJDPLKOLK-TZRRMPRUSA-N 2 1 412.622 3.518 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000460387080 982166838 /nfs/dbraw/zinc/16/68/38/982166838.db2.gz OEGBBZJDPLKOLK-TZRRMPRUSA-N 2 1 412.622 3.518 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000460387080 982166844 /nfs/dbraw/zinc/16/68/44/982166844.db2.gz OEGBBZJDPLKOLK-TZRRMPRUSA-N 2 1 412.622 3.518 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)cc2)C[C@@H](C)O1 ZINC000437853232 982410773 /nfs/dbraw/zinc/41/07/73/982410773.db2.gz OAGKJZZIOWQLEN-REHUZNOOSA-N 2 1 413.606 3.823 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)cc2)C[C@@H](C)O1 ZINC000437853232 982410777 /nfs/dbraw/zinc/41/07/77/982410777.db2.gz OAGKJZZIOWQLEN-REHUZNOOSA-N 2 1 413.606 3.823 20 0 HHADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000437956758 982486637 /nfs/dbraw/zinc/48/66/37/982486637.db2.gz BUSOYGISCYFYKQ-JOCHJYFZSA-N 2 1 411.594 3.696 20 0 HHADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000437956758 982486641 /nfs/dbraw/zinc/48/66/41/982486641.db2.gz BUSOYGISCYFYKQ-JOCHJYFZSA-N 2 1 411.594 3.696 20 0 HHADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000437979850 982503290 /nfs/dbraw/zinc/50/32/90/982503290.db2.gz ZBAZNIIYLIFKCH-LJQANCHMSA-N 2 1 421.948 3.680 20 0 HHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccco1 ZINC000461006856 982720544 /nfs/dbraw/zinc/72/05/44/982720544.db2.gz JLMWMKHTMKGQFW-FCJDFRRUSA-N 2 1 424.589 3.872 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000461454175 983120586 /nfs/dbraw/zinc/12/05/86/983120586.db2.gz GMTWVMDEMMYLDM-JLZPKONASA-N 2 1 417.597 3.735 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461454175 983120590 /nfs/dbraw/zinc/12/05/90/983120590.db2.gz GMTWVMDEMMYLDM-JLZPKONASA-N 2 1 417.597 3.735 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461454175 983120593 /nfs/dbraw/zinc/12/05/93/983120593.db2.gz GMTWVMDEMMYLDM-JLZPKONASA-N 2 1 417.597 3.735 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@H]3CCCC[N@H+]3CC(C)C)c(C)c2)CC1 ZINC000439076105 983238879 /nfs/dbraw/zinc/23/88/79/983238879.db2.gz HABMZMZRPQFFDK-JOCHJYFZSA-N 2 1 415.626 3.769 20 0 HHADMP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000439256238 983334758 /nfs/dbraw/zinc/33/47/58/983334758.db2.gz HLUFDVHVZHIMTE-IBGZPJMESA-N 2 1 408.999 3.778 20 0 HHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000439287994 983346688 /nfs/dbraw/zinc/34/66/88/983346688.db2.gz YKKMUFLTVHEXAM-AQNXPRMDSA-N 2 1 424.511 3.548 20 0 HHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000439287994 983346694 /nfs/dbraw/zinc/34/66/94/983346694.db2.gz YKKMUFLTVHEXAM-AQNXPRMDSA-N 2 1 424.511 3.548 20 0 HHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000439287994 983346697 /nfs/dbraw/zinc/34/66/97/983346697.db2.gz YKKMUFLTVHEXAM-AQNXPRMDSA-N 2 1 424.511 3.548 20 0 HHADMP O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000440138105 983657032 /nfs/dbraw/zinc/65/70/32/983657032.db2.gz VIMIWNLDFXVBNV-JOCHJYFZSA-N 2 1 412.578 3.847 20 0 HHADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000440194755 983678224 /nfs/dbraw/zinc/67/82/24/983678224.db2.gz ZYFDRENPJFOWMU-QHCPKHFHSA-N 2 1 400.611 3.803 20 0 HHADMP O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000440278908 983704957 /nfs/dbraw/zinc/70/49/57/983704957.db2.gz FPYMRBQUNGUJAH-XMMPIXPASA-N 2 1 413.606 3.581 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C[N@H+]1C1CC1 ZINC000440769833 983898607 /nfs/dbraw/zinc/89/86/07/983898607.db2.gz FYQDBNIJEBYKMH-XMSQKQJNSA-N 2 1 406.574 3.840 20 0 HHADMP C[C@H]1C[C@H](NC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C[N@H+]1C1CC1 ZINC000440769830 983898753 /nfs/dbraw/zinc/89/87/53/983898753.db2.gz FYQDBNIJEBYKMH-AVRDEDQJSA-N 2 1 406.574 3.840 20 0 HHADMP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000441243492 984134389 /nfs/dbraw/zinc/13/43/89/984134389.db2.gz JDMHNVMGTAFCMG-BTYIYWSLSA-N 2 1 409.496 3.831 20 0 HHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000442785117 985214872 /nfs/dbraw/zinc/21/48/72/985214872.db2.gz WUGYRMVLPFRRIK-PXNSSMCTSA-N 2 1 411.512 3.874 20 0 HHADMP C[C@@H](c1ccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1)[NH+]1CCOCC1 ZINC000462253907 985238431 /nfs/dbraw/zinc/23/84/31/985238431.db2.gz IRQCSLTULGFJNQ-NMMYMHLASA-N 2 1 422.573 3.722 20 0 HHADMP C[C@@H](c1ccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1)[NH+]1CCOCC1 ZINC000462253907 985238440 /nfs/dbraw/zinc/23/84/40/985238440.db2.gz IRQCSLTULGFJNQ-NMMYMHLASA-N 2 1 422.573 3.722 20 0 HHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000462265224 985255349 /nfs/dbraw/zinc/25/53/49/985255349.db2.gz GXIWFBDSDLAQLE-SFTDATJTSA-N 2 1 401.599 3.690 20 0 HHADMP CC1CC[NH+](Cc2nc(-c3ccc(N4CCC[N@H+](C)CC4)c(Cl)c3)no2)CC1 ZINC000443203791 985441210 /nfs/dbraw/zinc/44/12/10/985441210.db2.gz MVCQYMXAGSZTLS-UHFFFAOYSA-N 2 1 403.958 3.764 20 0 HHADMP CC1CC[NH+](Cc2nc(-c3ccc(N4CCC[N@@H+](C)CC4)c(Cl)c3)no2)CC1 ZINC000443203791 985441215 /nfs/dbraw/zinc/44/12/15/985441215.db2.gz MVCQYMXAGSZTLS-UHFFFAOYSA-N 2 1 403.958 3.764 20 0 HHADMP CCC[C@@H]1CN(C(=O)NCC2(SC)CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000462512446 985463188 /nfs/dbraw/zinc/46/31/88/985463188.db2.gz PYNGPKJHKXAXAH-OAQYLSRUSA-N 2 1 418.651 3.510 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000462524627 985474773 /nfs/dbraw/zinc/47/47/73/985474773.db2.gz WQNCHMAUVCWVSS-OFVILXPXSA-N 2 1 420.601 3.513 20 0 HHADMP C[C@@H](NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000462714188 985660839 /nfs/dbraw/zinc/66/08/39/985660839.db2.gz DGBZWYRWDSMMQC-YENTXNKWSA-N 2 1 420.601 3.717 20 0 HHADMP C[C@@H](NC(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462714188 985660844 /nfs/dbraw/zinc/66/08/44/985660844.db2.gz DGBZWYRWDSMMQC-YENTXNKWSA-N 2 1 420.601 3.717 20 0 HHADMP C[C@@H](NC(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462714188 985660847 /nfs/dbraw/zinc/66/08/47/985660847.db2.gz DGBZWYRWDSMMQC-YENTXNKWSA-N 2 1 420.601 3.717 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000462746903 985687992 /nfs/dbraw/zinc/68/79/92/985687992.db2.gz VJVKFEVWDKRXTF-MZYLBHOOSA-N 2 1 400.611 3.660 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000462746903 985687996 /nfs/dbraw/zinc/68/79/96/985687996.db2.gz VJVKFEVWDKRXTF-MZYLBHOOSA-N 2 1 400.611 3.660 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000462746903 985688001 /nfs/dbraw/zinc/68/80/01/985688001.db2.gz VJVKFEVWDKRXTF-MZYLBHOOSA-N 2 1 400.611 3.660 20 0 HHADMP C[NH+](C)CCN(C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000462751022 985692376 /nfs/dbraw/zinc/69/23/76/985692376.db2.gz STFNPJPPSPSYMV-QFIPXVFZSA-N 2 1 400.611 3.805 20 0 HHADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000443676570 985885324 /nfs/dbraw/zinc/88/53/24/985885324.db2.gz UOZAYDOEZANSKB-UHFFFAOYSA-N 2 1 408.468 3.634 20 0 HHADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000443676570 985885337 /nfs/dbraw/zinc/88/53/37/985885337.db2.gz UOZAYDOEZANSKB-UHFFFAOYSA-N 2 1 408.468 3.634 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000463015029 985970413 /nfs/dbraw/zinc/97/04/13/985970413.db2.gz WVCALXBYRHGVMC-ZODMCCGTSA-N 2 1 420.601 3.670 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000463015029 985970420 /nfs/dbraw/zinc/97/04/20/985970420.db2.gz WVCALXBYRHGVMC-ZODMCCGTSA-N 2 1 420.601 3.670 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000463015029 985970428 /nfs/dbraw/zinc/97/04/28/985970428.db2.gz WVCALXBYRHGVMC-ZODMCCGTSA-N 2 1 420.601 3.670 20 0 HHADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463082285 986039801 /nfs/dbraw/zinc/03/98/01/986039801.db2.gz BPUKUOGLTULKQB-GBXCKJPGSA-N 2 1 421.585 3.529 20 0 HHADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463082285 986039818 /nfs/dbraw/zinc/03/98/18/986039818.db2.gz BPUKUOGLTULKQB-GBXCKJPGSA-N 2 1 421.585 3.529 20 0 HHADMP COc1ccc(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c(OC)c1OC ZINC000463116783 986081730 /nfs/dbraw/zinc/08/17/30/986081730.db2.gz RTIXUXDRHVLKOM-UHFFFAOYSA-N 2 1 416.537 3.691 20 0 HHADMP CCCCOc1ccccc1C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000468397661 986095776 /nfs/dbraw/zinc/09/57/76/986095776.db2.gz OYJLBRNZSTYUCG-UHFFFAOYSA-N 2 1 401.595 3.632 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3Cc3ccccc3)c2)C1 ZINC000468429571 986127769 /nfs/dbraw/zinc/12/77/69/986127769.db2.gz QCKOMILIRVIWLB-UBFVSLLYSA-N 2 1 405.586 3.885 20 0 HHADMP C[NH+]1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)(N2CCCCC2)CC1 ZINC000463239055 986207119 /nfs/dbraw/zinc/20/71/19/986207119.db2.gz TZHOBZSUSHNNMC-QILAJZQNSA-N 3 1 410.650 3.722 20 0 HHADMP C[NH+]1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)(N2CCCCC2)CC1 ZINC000463239055 986207130 /nfs/dbraw/zinc/20/71/30/986207130.db2.gz TZHOBZSUSHNNMC-QILAJZQNSA-N 2 1 410.650 3.722 20 0 HHADMP CCN(CCC[NH+](C)C)C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000468531088 986235989 /nfs/dbraw/zinc/23/59/89/986235989.db2.gz MAGBVFLRKIPWJX-UHFFFAOYSA-N 2 1 414.516 3.653 20 0 HHADMP O[C@]1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCC[C@H](C(F)(F)F)C1 ZINC000463277671 986244720 /nfs/dbraw/zinc/24/47/20/986244720.db2.gz TXPVGDHGYMZMQH-FXAWDEMLSA-N 2 1 402.476 3.906 20 0 HHADMP CCn1cc([C@H]2OCCC[C@@H]2[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cn1 ZINC000463278214 986245236 /nfs/dbraw/zinc/24/52/36/986245236.db2.gz GEFGJMPPMNOOMD-XZOQPEGZSA-N 2 1 400.542 3.559 20 0 HHADMP C[C@H]1CN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cn2)CCO1 ZINC000463307718 986274995 /nfs/dbraw/zinc/27/49/95/986274995.db2.gz YXYQLPRCDOGRNK-RKCKCALGSA-N 2 1 406.574 3.592 20 0 HHADMP C[C@H]1CN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cn2)CCO1 ZINC000463307718 986274999 /nfs/dbraw/zinc/27/49/99/986274999.db2.gz YXYQLPRCDOGRNK-RKCKCALGSA-N 2 1 406.574 3.592 20 0 HHADMP C[C@@H]1CCc2c(sc3nc(CC[N@@H+]4CC[C@@H](C[NH+]5CCCCC5)C4)nc(N)c23)C1 ZINC000444218794 986403018 /nfs/dbraw/zinc/40/30/18/986403018.db2.gz VYGVHJMKWZGRKD-SJORKVTESA-N 2 1 413.635 3.749 20 0 HHADMP C[C@@H]1CCc2c(sc3nc(CC[N@H+]4CC[C@@H](C[NH+]5CCCCC5)C4)nc(N)c23)C1 ZINC000444218794 986403023 /nfs/dbraw/zinc/40/30/23/986403023.db2.gz VYGVHJMKWZGRKD-SJORKVTESA-N 2 1 413.635 3.749 20 0 HHADMP COc1cccc([C@H](CNC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[NH+](C)C)c1 ZINC000444340851 986519532 /nfs/dbraw/zinc/51/95/32/986519532.db2.gz RKCFRBDBMQKOPT-HXOBKFHXSA-N 2 1 421.545 3.852 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000444345701 986527917 /nfs/dbraw/zinc/52/79/17/986527917.db2.gz VJQHITOVMAMKRA-SFHVURJKSA-N 2 1 421.545 3.682 20 0 HHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3C(F)F)C2)CC1 ZINC000468910731 986617212 /nfs/dbraw/zinc/61/72/12/986617212.db2.gz IUDALYBGYLLNAP-QGZVFWFLSA-N 2 1 417.504 3.789 20 0 HHADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)N2CCc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000444598087 986785026 /nfs/dbraw/zinc/78/50/26/986785026.db2.gz OKKGEZUIGBAZIS-BWKNWUBXSA-N 2 1 405.586 3.946 20 0 HHADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)N2CCc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000444598087 986785036 /nfs/dbraw/zinc/78/50/36/986785036.db2.gz OKKGEZUIGBAZIS-BWKNWUBXSA-N 2 1 405.586 3.946 20 0 HHADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)N2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000444598087 986785049 /nfs/dbraw/zinc/78/50/49/986785049.db2.gz OKKGEZUIGBAZIS-BWKNWUBXSA-N 2 1 405.586 3.946 20 0 HHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)N2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000444598087 986785062 /nfs/dbraw/zinc/78/50/62/986785062.db2.gz OKKGEZUIGBAZIS-BWKNWUBXSA-N 2 1 405.586 3.946 20 0 HHADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CC[NH+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444719348 986894073 /nfs/dbraw/zinc/89/40/73/986894073.db2.gz QSIKBQNPTBOQHK-DHIUTWEWSA-N 2 1 410.606 3.844 20 0 HHADMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444719348 986894086 /nfs/dbraw/zinc/89/40/86/986894086.db2.gz QSIKBQNPTBOQHK-DHIUTWEWSA-N 2 1 410.606 3.844 20 0 HHADMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444719348 986894102 /nfs/dbraw/zinc/89/41/02/986894102.db2.gz QSIKBQNPTBOQHK-DHIUTWEWSA-N 2 1 410.606 3.844 20 0 HHADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000469176218 986901704 /nfs/dbraw/zinc/90/17/04/986901704.db2.gz XLJIIMCPMIKXHH-SJBKTWHCSA-N 2 1 409.574 3.976 20 0 HHADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000469176218 986901711 /nfs/dbraw/zinc/90/17/11/986901711.db2.gz XLJIIMCPMIKXHH-SJBKTWHCSA-N 2 1 409.574 3.976 20 0 HHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)CCCOc2ccccc2C(N)=O)CC1 ZINC000469193490 986917872 /nfs/dbraw/zinc/91/78/72/986917872.db2.gz OXKICQSMFKXSNB-FQEVSTJZSA-N 2 1 409.574 3.896 20 0 HHADMP O=C(NCC1CC[NH+](C2CC2)CC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000444989389 987117636 /nfs/dbraw/zinc/11/76/36/987117636.db2.gz RWEYNONMJHNFLP-LADGPHEKSA-N 2 1 410.606 3.557 20 0 HHADMP Cc1nc2c(s1)CCC[C@H]2C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000469533450 987207817 /nfs/dbraw/zinc/20/78/17/987207817.db2.gz OQAZZSQPCJOBHZ-HXUWFJFHSA-N 2 1 418.651 3.526 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C[N@@H+]1Cc1ccccc1 ZINC000469580786 987247325 /nfs/dbraw/zinc/24/73/25/987247325.db2.gz OMJHAHMQBVHKAC-DOTOQJQBSA-N 2 1 411.456 3.598 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C[N@H+]1Cc1ccccc1 ZINC000469580786 987247328 /nfs/dbraw/zinc/24/73/28/987247328.db2.gz OMJHAHMQBVHKAC-DOTOQJQBSA-N 2 1 411.456 3.598 20 0 HHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000469733293 987383568 /nfs/dbraw/zinc/38/35/68/987383568.db2.gz JEWXLZKTORRJRF-HNNXBMFYSA-N 2 1 416.393 3.682 20 0 HHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000469733293 987383572 /nfs/dbraw/zinc/38/35/72/987383572.db2.gz JEWXLZKTORRJRF-HNNXBMFYSA-N 2 1 416.393 3.682 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)C1 ZINC000469866699 987503755 /nfs/dbraw/zinc/50/37/55/987503755.db2.gz RBCMNKCDJZHZFO-TXTKFYIRSA-N 2 1 409.578 3.908 20 0 HHADMP C[C@H]1CCN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000463956189 988067900 /nfs/dbraw/zinc/06/79/00/988067900.db2.gz XQOXNINHYXFBQB-AZUAARDMSA-N 2 1 400.592 3.657 20 0 HHADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470281504 988236485 /nfs/dbraw/zinc/23/64/85/988236485.db2.gz YJUKZMQLBHQPPF-MOPGFXCFSA-N 2 1 414.516 3.824 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)[C@H](C)C1 ZINC000470287090 988243683 /nfs/dbraw/zinc/24/36/83/988243683.db2.gz YBNYAECXPMJPBS-AYOQOUSVSA-N 2 1 414.516 3.680 20 0 HHADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000470495474 988488848 /nfs/dbraw/zinc/48/88/48/988488848.db2.gz HYUBKBATDYVTKS-NRFANRHFSA-N 2 1 421.585 3.644 20 0 HHADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000470495474 988488851 /nfs/dbraw/zinc/48/88/51/988488851.db2.gz HYUBKBATDYVTKS-NRFANRHFSA-N 2 1 421.585 3.644 20 0 HHADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000470495474 988488855 /nfs/dbraw/zinc/48/88/55/988488855.db2.gz HYUBKBATDYVTKS-NRFANRHFSA-N 2 1 421.585 3.644 20 0 HHADMP CC(C)[NH+](CCCNC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000470502852 988498286 /nfs/dbraw/zinc/49/82/86/988498286.db2.gz MTYMATMXBVTFGU-NHCUHLMSSA-N 2 1 418.626 3.604 20 0 HHADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H](C)[N@@H+](Cc4ccccc4)CC3)cc2)CC1 ZINC000470518976 988517800 /nfs/dbraw/zinc/51/78/00/988517800.db2.gz BKISCGVRXYNVRL-JOCHJYFZSA-N 2 1 420.601 3.565 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000470735567 988770536 /nfs/dbraw/zinc/77/05/36/988770536.db2.gz CEDQSJRHVMYMDN-RBBKRZOGSA-N 2 1 412.622 3.792 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000470735567 988770548 /nfs/dbraw/zinc/77/05/48/988770548.db2.gz CEDQSJRHVMYMDN-RBBKRZOGSA-N 2 1 412.622 3.792 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000470735567 988770562 /nfs/dbraw/zinc/77/05/62/988770562.db2.gz CEDQSJRHVMYMDN-RBBKRZOGSA-N 2 1 412.622 3.792 20 0 HHADMP CN(C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470898294 988971912 /nfs/dbraw/zinc/97/19/12/988971912.db2.gz CQWYLBQATCASHO-QFIPXVFZSA-N 2 1 412.553 3.693 20 0 HHADMP C[C@H]1CCc2c(sc3nc(CC[N@@H+]4CC[C@@H](C[NH+](C)CC5CC5)C4)nc(N)c23)C1 ZINC000470963181 989027473 /nfs/dbraw/zinc/02/74/73/989027473.db2.gz ZGCMTVNZRKIPHZ-RDJZCZTQSA-N 2 1 413.635 3.605 20 0 HHADMP C[C@H]1CCc2c(sc3nc(CC[N@H+]4CC[C@@H](C[NH+](C)CC5CC5)C4)nc(N)c23)C1 ZINC000470963181 989027482 /nfs/dbraw/zinc/02/74/82/989027482.db2.gz ZGCMTVNZRKIPHZ-RDJZCZTQSA-N 2 1 413.635 3.605 20 0 HHADMP C[C@H]1CCc2c(sc3nc(CC[NH+]4CC[C@@H](C[N@H+](C)CC5CC5)C4)nc(N)c23)C1 ZINC000470963181 989027489 /nfs/dbraw/zinc/02/74/89/989027489.db2.gz ZGCMTVNZRKIPHZ-RDJZCZTQSA-N 2 1 413.635 3.605 20 0 HHADMP C[C@H]1CCc2c(sc3nc(CC[NH+]4CC[C@@H](C[N@@H+](C)CC5CC5)C4)nc(N)c23)C1 ZINC000470963181 989027498 /nfs/dbraw/zinc/02/74/98/989027498.db2.gz ZGCMTVNZRKIPHZ-RDJZCZTQSA-N 2 1 413.635 3.605 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000464829522 989068924 /nfs/dbraw/zinc/06/89/24/989068924.db2.gz OLIAGGQIRZDUCM-QHCPKHFHSA-N 2 1 400.611 3.696 20 0 HHADMP CC[NH+]1CCC(NC(=O)C[N@H+]2Cc3cc(OC)ccc3C[C@H]2C2CCCCC2)CC1 ZINC000464880455 989143779 /nfs/dbraw/zinc/14/37/79/989143779.db2.gz XTLOOJQUWJNCNV-DEOSSOPVSA-N 2 1 413.606 3.603 20 0 HHADMP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471511845 989710271 /nfs/dbraw/zinc/71/02/71/989710271.db2.gz UPSKMTFBJPEMNP-BHIFYINESA-N 2 1 424.614 3.658 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000465413993 989759940 /nfs/dbraw/zinc/75/99/40/989759940.db2.gz UDEJXJZUUQVDAT-NHCUHLMSSA-N 2 1 414.619 3.904 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000465423897 989767801 /nfs/dbraw/zinc/76/78/01/989767801.db2.gz AWYCHIVIWOFIEN-NFBKMPQASA-N 2 1 412.553 3.592 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H]1c1cccs1 ZINC000465431777 989777509 /nfs/dbraw/zinc/77/75/09/989777509.db2.gz KGUOZWHJAHROQH-URVUXULASA-N 2 1 412.603 3.705 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1c1cccs1 ZINC000465431777 989777520 /nfs/dbraw/zinc/77/75/20/989777520.db2.gz KGUOZWHJAHROQH-URVUXULASA-N 2 1 412.603 3.705 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1c1cccs1 ZINC000465431777 989777532 /nfs/dbraw/zinc/77/75/32/989777532.db2.gz KGUOZWHJAHROQH-URVUXULASA-N 2 1 412.603 3.705 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000465450527 989790612 /nfs/dbraw/zinc/79/06/12/989790612.db2.gz ALZXBRSYOIFGDG-JOCHJYFZSA-N 2 1 400.611 3.805 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000471598683 989801789 /nfs/dbraw/zinc/80/17/89/989801789.db2.gz LRQSDICNEGRMQZ-LADGPHEKSA-N 2 1 406.574 3.645 20 0 HHADMP C[C@H](CNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[NH+]1CCC[C@@H](C)C1 ZINC000465524051 989878267 /nfs/dbraw/zinc/87/82/67/989878267.db2.gz CXWNOOZFROGXJL-WOJBJXKFSA-N 2 1 412.578 3.831 20 0 HHADMP C[C@H](CNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[NH+]1CCC[C@@H](C)C1 ZINC000465524051 989878276 /nfs/dbraw/zinc/87/82/76/989878276.db2.gz CXWNOOZFROGXJL-WOJBJXKFSA-N 2 1 412.578 3.831 20 0 HHADMP C[C@H](CNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)[N@@H+]1CCC[C@@H](C)C1 ZINC000465524051 989878284 /nfs/dbraw/zinc/87/82/84/989878284.db2.gz CXWNOOZFROGXJL-WOJBJXKFSA-N 2 1 412.578 3.831 20 0 HHADMP C[C@H](CNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)[N@H+]1CCC[C@@H](C)C1 ZINC000465524051 989878295 /nfs/dbraw/zinc/87/82/95/989878295.db2.gz CXWNOOZFROGXJL-WOJBJXKFSA-N 2 1 412.578 3.831 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N(C)[C@H]3CC[NH+](C)[C@@H](C)C3)cc2)C1 ZINC000465530049 989889787 /nfs/dbraw/zinc/88/97/87/989889787.db2.gz YITVVNSSZFLXNV-SRYPRDQNSA-N 2 1 400.611 3.789 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)C1 ZINC000465530049 989889798 /nfs/dbraw/zinc/88/97/98/989889798.db2.gz YITVVNSSZFLXNV-SRYPRDQNSA-N 2 1 400.611 3.789 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)C1 ZINC000465530049 989889810 /nfs/dbraw/zinc/88/98/10/989889810.db2.gz YITVVNSSZFLXNV-SRYPRDQNSA-N 2 1 400.611 3.789 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000465546587 989909643 /nfs/dbraw/zinc/90/96/43/989909643.db2.gz DKWSYRFWXPDAHT-HXUWFJFHSA-N 2 1 400.611 3.840 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000465557314 989921279 /nfs/dbraw/zinc/92/12/79/989921279.db2.gz GAMJRHFIXIVUHP-VQIMIIECSA-N 2 1 414.516 3.824 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000471731345 989927408 /nfs/dbraw/zinc/92/74/08/989927408.db2.gz IYTLSTVNQYQWLV-NRFANRHFSA-N 2 1 421.520 3.641 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000471731345 989927414 /nfs/dbraw/zinc/92/74/14/989927414.db2.gz IYTLSTVNQYQWLV-NRFANRHFSA-N 2 1 421.520 3.641 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000465582143 989953681 /nfs/dbraw/zinc/95/36/81/989953681.db2.gz ZNAFSZTZVOTZSS-OAQYLSRUSA-N 2 1 400.611 3.792 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000465594587 989974732 /nfs/dbraw/zinc/97/47/32/989974732.db2.gz HNYIWYFDXGBOIL-FCHUYYIVSA-N 2 1 422.598 3.503 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000465594587 989974742 /nfs/dbraw/zinc/97/47/42/989974742.db2.gz HNYIWYFDXGBOIL-FCHUYYIVSA-N 2 1 422.598 3.503 20 0 HHADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000465596066 989976851 /nfs/dbraw/zinc/97/68/51/989976851.db2.gz JSNBSNFVQAAKDF-NHCUHLMSSA-N 2 1 412.603 3.631 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000465596066 989976861 /nfs/dbraw/zinc/97/68/61/989976861.db2.gz JSNBSNFVQAAKDF-NHCUHLMSSA-N 2 1 412.603 3.631 20 0 HHADMP CC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000465596066 989976879 /nfs/dbraw/zinc/97/68/79/989976879.db2.gz JSNBSNFVQAAKDF-NHCUHLMSSA-N 2 1 412.603 3.631 20 0 HHADMP CC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000465596066 989976887 /nfs/dbraw/zinc/97/68/87/989976887.db2.gz JSNBSNFVQAAKDF-NHCUHLMSSA-N 2 1 412.603 3.631 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000465604669 989986468 /nfs/dbraw/zinc/98/64/68/989986468.db2.gz QLSHPTRIPGNTBB-QHCPKHFHSA-N 2 1 420.601 3.946 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000465624845 990010438 /nfs/dbraw/zinc/01/04/38/990010438.db2.gz GWNAUPCQJOOGMS-LJQANCHMSA-N 2 1 407.002 3.678 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000465678642 990063666 /nfs/dbraw/zinc/06/36/66/990063666.db2.gz CHQVVULRQZMIOH-REWPJTCUSA-N 2 1 412.553 3.592 20 0 HHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000471916566 990083889 /nfs/dbraw/zinc/08/38/89/990083889.db2.gz WYQPDPQAZRTXAE-IRLDBZIGSA-N 2 1 408.590 3.937 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000465740553 990126040 /nfs/dbraw/zinc/12/60/40/990126040.db2.gz GNWKTWYLGBJRPP-IRXDYDNUSA-N 2 1 414.516 3.824 20 0 HHADMP C[N@@H+](CCNC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000465747438 990132466 /nfs/dbraw/zinc/13/24/66/990132466.db2.gz FOPKXCHERTVZLH-CTNGQTDRSA-N 2 1 400.592 3.562 20 0 HHADMP C[NH+](CCNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000465747438 990132472 /nfs/dbraw/zinc/13/24/72/990132472.db2.gz FOPKXCHERTVZLH-CTNGQTDRSA-N 2 1 400.592 3.562 20 0 HHADMP C[NH+](CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000465747438 990132477 /nfs/dbraw/zinc/13/24/77/990132477.db2.gz FOPKXCHERTVZLH-CTNGQTDRSA-N 2 1 400.592 3.562 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)N(CC)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000465787920 990169736 /nfs/dbraw/zinc/16/97/36/990169736.db2.gz UTLMKKMNOLIKNB-HSZRJFAPSA-N 2 1 400.611 3.662 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)[NH+](C)C)cc1 ZINC000465814222 990197397 /nfs/dbraw/zinc/19/73/97/990197397.db2.gz MCZJROCUIXGTTD-URXFXBBRSA-N 2 1 408.590 3.904 20 0 HHADMP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000472056900 990221380 /nfs/dbraw/zinc/22/13/80/990221380.db2.gz AQAAFJQQMGFUIS-WIYYLYMNSA-N 2 1 424.992 3.989 20 0 HHADMP CCN(CCC[NH+]1CCCC1)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000472059330 990223139 /nfs/dbraw/zinc/22/31/39/990223139.db2.gz USQOKSWSUPOSQS-GMAHTHKFSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@H]1C[C@H](NC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000465879379 990997580 /nfs/dbraw/zinc/99/75/80/990997580.db2.gz ZBPKVINZVGDMQD-NZQKXSOJSA-N 2 1 400.611 3.503 20 0 HHADMP C[C@@H](CNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+](C)Cc1ccccc1 ZINC000465883459 991005637 /nfs/dbraw/zinc/00/56/37/991005637.db2.gz ZUNVIWXRDUZWCS-YADHBBJMSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@@H](CNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000465883459 991005643 /nfs/dbraw/zinc/00/56/43/991005643.db2.gz ZUNVIWXRDUZWCS-YADHBBJMSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@@H](CNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000465883459 991005649 /nfs/dbraw/zinc/00/56/49/991005649.db2.gz ZUNVIWXRDUZWCS-YADHBBJMSA-N 2 1 408.590 3.813 20 0 HHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000465899854 991026940 /nfs/dbraw/zinc/02/69/40/991026940.db2.gz ZNQVYVZDYXMNAB-LJQANCHMSA-N 2 1 401.599 3.559 20 0 HHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000465899854 991026948 /nfs/dbraw/zinc/02/69/48/991026948.db2.gz ZNQVYVZDYXMNAB-LJQANCHMSA-N 2 1 401.599 3.559 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000466011497 991177182 /nfs/dbraw/zinc/17/71/82/991177182.db2.gz BTXCFJPPGUAPFH-YADHBBJMSA-N 2 1 402.627 3.906 20 0 HHADMP C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000466080570 991256752 /nfs/dbraw/zinc/25/67/52/991256752.db2.gz RNHGOROGTWWALF-RBBKRZOGSA-N 2 1 412.603 3.658 20 0 HHADMP C[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000466080570 991256757 /nfs/dbraw/zinc/25/67/57/991256757.db2.gz RNHGOROGTWWALF-RBBKRZOGSA-N 2 1 412.603 3.658 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000466289120 991538290 /nfs/dbraw/zinc/53/82/90/991538290.db2.gz TXKKXEFOMWEQMS-FGCOXFRFSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000466289120 991538298 /nfs/dbraw/zinc/53/82/98/991538298.db2.gz TXKKXEFOMWEQMS-FGCOXFRFSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000466289120 991538307 /nfs/dbraw/zinc/53/83/07/991538307.db2.gz TXKKXEFOMWEQMS-FGCOXFRFSA-N 2 1 412.622 3.945 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccncc2OCC(F)(F)F)CC1 ZINC000466415549 991707337 /nfs/dbraw/zinc/70/73/37/991707337.db2.gz VGQDQPJOOYDHOH-UHFFFAOYSA-N 2 1 422.495 3.845 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)NCc2ccc(CC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000466783727 992091002 /nfs/dbraw/zinc/09/10/02/992091002.db2.gz ZQVQVALMZYVVKJ-RDPSFJRHSA-N 2 1 408.590 3.643 20 0 HHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccn(-c4ccc(Cl)cc4)n3)CC2)C[C@H](C)O1 ZINC000466813630 992121947 /nfs/dbraw/zinc/12/19/47/992121947.db2.gz GQQJRLICLKJERR-HDICACEKSA-N 2 1 402.970 3.847 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccn(-c4ccc(Cl)cc4)n3)CC2)C[C@H](C)O1 ZINC000466813630 992121956 /nfs/dbraw/zinc/12/19/56/992121956.db2.gz GQQJRLICLKJERR-HDICACEKSA-N 2 1 402.970 3.847 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000466916243 992230364 /nfs/dbraw/zinc/23/03/64/992230364.db2.gz QRDHDFSSRJITRB-UHFFFAOYSA-N 2 1 424.593 3.737 20 0 HHADMP C[NH+](C)CCc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000467097109 992402716 /nfs/dbraw/zinc/40/27/16/992402716.db2.gz VYKSQXRFHSBDRX-IFMALSPDSA-N 2 1 414.619 3.735 20 0 HHADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000467353814 992672884 /nfs/dbraw/zinc/67/28/84/992672884.db2.gz AXZFBKPRWYVEOG-QGZVFWFLSA-N 2 1 419.491 3.814 20 0 HHADMP C[C@H](NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467856408 993087817 /nfs/dbraw/zinc/08/78/17/993087817.db2.gz YPPQUYKTFDASQC-YRISNDGFSA-N 2 1 421.632 3.732 20 0 HHADMP C[C@H](NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467856408 993087821 /nfs/dbraw/zinc/08/78/21/993087821.db2.gz YPPQUYKTFDASQC-YRISNDGFSA-N 2 1 421.632 3.732 20 0 HHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000472271212 993293147 /nfs/dbraw/zinc/29/31/47/993293147.db2.gz AVUZLFCQUGOIQL-AWEZNQCLSA-N 2 1 413.349 3.976 20 0 HHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000472271212 993293159 /nfs/dbraw/zinc/29/31/59/993293159.db2.gz AVUZLFCQUGOIQL-AWEZNQCLSA-N 2 1 413.349 3.976 20 0 HHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000472280214 993299368 /nfs/dbraw/zinc/29/93/68/993299368.db2.gz RSJBZRIIPNOEQJ-IVCQMTBJSA-N 2 1 407.407 3.534 20 0 HHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000472280214 993299377 /nfs/dbraw/zinc/29/93/77/993299377.db2.gz RSJBZRIIPNOEQJ-IVCQMTBJSA-N 2 1 407.407 3.534 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000472309407 993321454 /nfs/dbraw/zinc/32/14/54/993321454.db2.gz IIHUAFQFEFWKJC-HSZRJFAPSA-N 2 1 400.611 3.662 20 0 HHADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000472309407 993321459 /nfs/dbraw/zinc/32/14/59/993321459.db2.gz IIHUAFQFEFWKJC-HSZRJFAPSA-N 2 1 400.611 3.662 20 0 HHADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000472309407 993321463 /nfs/dbraw/zinc/32/14/63/993321463.db2.gz IIHUAFQFEFWKJC-HSZRJFAPSA-N 2 1 400.611 3.662 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000472311386 993322743 /nfs/dbraw/zinc/32/27/43/993322743.db2.gz IEFDHTKBTNCZPJ-RPWUZVMVSA-N 2 1 412.622 3.806 20 0 HHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000472369956 993367055 /nfs/dbraw/zinc/36/70/55/993367055.db2.gz SWNMMIDMWNITQM-DEOSSOPVSA-N 2 1 408.590 3.590 20 0 HHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1 ZINC000480733547 993599830 /nfs/dbraw/zinc/59/98/30/993599830.db2.gz BBIJYTYMTQHWLS-LJQANCHMSA-N 2 1 420.601 3.905 20 0 HHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(-n2cccn2)cc1 ZINC000480783426 993650668 /nfs/dbraw/zinc/65/06/68/993650668.db2.gz ZZYQYXLUMPCFBY-BWKNWUBXSA-N 2 1 403.574 3.902 20 0 HHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000472765174 993704338 /nfs/dbraw/zinc/70/43/38/993704338.db2.gz CZDCELVCNZIXKK-IBGZPJMESA-N 2 1 408.384 3.974 20 0 HHADMP C[C@H](CCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000472908418 993835352 /nfs/dbraw/zinc/83/53/52/993835352.db2.gz PCULECCCRCFNJQ-OAQYLSRUSA-N 2 1 408.590 3.861 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)NCC[C@@H](C)[N@H+](C)Cc3ccccc3)CC2)[nH+]c1 ZINC000472979528 993912888 /nfs/dbraw/zinc/91/28/88/993912888.db2.gz RNYYYFZSFLTNNM-HXUWFJFHSA-N 2 1 409.578 3.569 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)NCC[C@@H](C)[N@@H+](C)Cc3ccccc3)CC2)[nH+]c1 ZINC000472979528 993912898 /nfs/dbraw/zinc/91/28/98/993912898.db2.gz RNYYYFZSFLTNNM-HXUWFJFHSA-N 2 1 409.578 3.569 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)NCC[C@@H](C)[N@H+](C)Cc3ccccc3)CC2)[nH+]1 ZINC000472996917 993925586 /nfs/dbraw/zinc/92/55/86/993925586.db2.gz DAPQFZYECGFTMU-HXUWFJFHSA-N 2 1 409.578 3.569 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)NCC[C@@H](C)[N@@H+](C)Cc3ccccc3)CC2)[nH+]1 ZINC000472996917 993925595 /nfs/dbraw/zinc/92/55/95/993925595.db2.gz DAPQFZYECGFTMU-HXUWFJFHSA-N 2 1 409.578 3.569 20 0 HHADMP C[C@@H](CCNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000473024564 993943614 /nfs/dbraw/zinc/94/36/14/993943614.db2.gz FVDMADOGBRIZNB-FQEVSTJZSA-N 2 1 412.578 3.796 20 0 HHADMP CCCOc1ccc(CNC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481168240 993999707 /nfs/dbraw/zinc/99/97/07/993999707.db2.gz DDIKDMUIGWQYEZ-RDPSFJRHSA-N 2 1 409.574 3.592 20 0 HHADMP CCCOc1ccc(CNC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481168240 993999722 /nfs/dbraw/zinc/99/97/22/993999722.db2.gz DDIKDMUIGWQYEZ-RDPSFJRHSA-N 2 1 409.574 3.592 20 0 HHADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481169751 994001251 /nfs/dbraw/zinc/00/12/51/994001251.db2.gz FQQVUSHWARUHAD-CZTZKLFOSA-N 2 1 402.966 3.888 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cccc(N2CCCC2=O)c1 ZINC000481540575 994371877 /nfs/dbraw/zinc/37/18/77/994371877.db2.gz GDLITFFVYDBPBJ-PMACEKPBSA-N 2 1 407.558 3.885 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cccc(N2CCCC2=O)c1 ZINC000481540575 994371885 /nfs/dbraw/zinc/37/18/85/994371885.db2.gz GDLITFFVYDBPBJ-PMACEKPBSA-N 2 1 407.558 3.885 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000481577145 994415353 /nfs/dbraw/zinc/41/53/53/994415353.db2.gz SLZPVIKIYKPMDM-FOVJLYNBSA-N 2 1 407.558 3.804 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000481577145 994415364 /nfs/dbraw/zinc/41/53/64/994415364.db2.gz SLZPVIKIYKPMDM-FOVJLYNBSA-N 2 1 407.558 3.804 20 0 HHADMP CC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481671282 994531463 /nfs/dbraw/zinc/53/14/63/994531463.db2.gz QHKUOJXZKWJGRW-QGZVFWFLSA-N 2 1 402.004 3.552 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)N[C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)c2)CC1 ZINC000473819253 994746768 /nfs/dbraw/zinc/74/67/68/994746768.db2.gz FXAQLOCHLZIFNI-REWPJTCUSA-N 2 1 421.589 3.613 20 0 HHADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481917062 994788516 /nfs/dbraw/zinc/78/85/16/994788516.db2.gz OSCNMNRZVXQDGM-VQIMIIECSA-N 2 1 416.031 3.943 20 0 HHADMP CC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481917060 994789130 /nfs/dbraw/zinc/78/91/30/994789130.db2.gz OSCNMNRZVXQDGM-LPHOPBHVSA-N 2 1 416.031 3.943 20 0 HHADMP CC[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000482002138 994903764 /nfs/dbraw/zinc/90/37/64/994903764.db2.gz ZXAWAAKVTZSCRO-MAUKXSAKSA-N 2 1 402.004 3.553 20 0 HHADMP CC[C@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000482002140 994904288 /nfs/dbraw/zinc/90/42/88/994904288.db2.gz ZXAWAAKVTZSCRO-YJBOKZPZSA-N 2 1 402.004 3.553 20 0 HHADMP CCCC[NH+]1CCC(NC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000474013883 995004502 /nfs/dbraw/zinc/00/45/02/995004502.db2.gz VOOKVEFKRMTTDS-NPHXMPSESA-N 2 1 400.611 3.707 20 0 HHADMP CCN(C(=O)NCCC1CC[NH+](CC)CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000474027650 995019103 /nfs/dbraw/zinc/01/91/03/995019103.db2.gz JJKCZYMYLVLEJM-OFNKIYASSA-N 2 1 400.611 3.975 20 0 HHADMP COc1cccc([C@@H]2[C@@H](NC(=O)c3cccc(C[NH+]4CCCC4)c3)CC[N@H+]2C2CC2)c1 ZINC000482084861 995024469 /nfs/dbraw/zinc/02/44/69/995024469.db2.gz QHSJGSJQCCPQGV-LOSJGSFVSA-N 2 1 419.569 3.999 20 0 HHADMP COc1cccc([C@@H]2[C@H](NC(=O)c3cccc(C[NH+]4CCCC4)c3)CC[N@H+]2C2CC2)c1 ZINC000482084860 995024828 /nfs/dbraw/zinc/02/48/28/995024828.db2.gz QHSJGSJQCCPQGV-JWQCQUIFSA-N 2 1 419.569 3.999 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C(=O)N2CCSCC2)CC1 ZINC000482096849 995039550 /nfs/dbraw/zinc/03/95/50/995039550.db2.gz HSBIWUSBWTZSJX-OZRWQMGGSA-N 2 1 415.647 3.621 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C(=O)N2CCSCC2)CC1 ZINC000482096849 995039559 /nfs/dbraw/zinc/03/95/59/995039559.db2.gz HSBIWUSBWTZSJX-OZRWQMGGSA-N 2 1 415.647 3.621 20 0 HHADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)ccc1S(C)(=O)=O ZINC000482120329 995067717 /nfs/dbraw/zinc/06/77/17/995067717.db2.gz AUTPHWDOUVLRRY-IRXDYDNUSA-N 2 1 422.616 3.723 20 0 HHADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1S(C)(=O)=O ZINC000482120329 995067722 /nfs/dbraw/zinc/06/77/22/995067722.db2.gz AUTPHWDOUVLRRY-IRXDYDNUSA-N 2 1 422.616 3.723 20 0 HHADMP CC1CC[NH+](CC(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)CC1 ZINC000474103175 995083536 /nfs/dbraw/zinc/08/35/36/995083536.db2.gz HLTJEZVDGRGTBB-FQEVSTJZSA-N 2 1 411.512 3.631 20 0 HHADMP CC1CC[NH+](CC(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)CC1 ZINC000474103175 995083547 /nfs/dbraw/zinc/08/35/47/995083547.db2.gz HLTJEZVDGRGTBB-FQEVSTJZSA-N 2 1 411.512 3.631 20 0 HHADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000482139342 995089401 /nfs/dbraw/zinc/08/94/01/995089401.db2.gz CTUAMZIJESNDJW-SJLPKXTDSA-N 2 1 423.985 3.930 20 0 HHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000482153412 995107199 /nfs/dbraw/zinc/10/71/99/995107199.db2.gz UCGFMTJFOKFCHR-RDJZCZTQSA-N 2 1 411.974 3.786 20 0 HHADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OCc1ccc(C(=O)OC)o1 ZINC000482211609 995195275 /nfs/dbraw/zinc/19/52/75/995195275.db2.gz KHPAQJBNPNHZQB-SJLPKXTDSA-N 2 1 416.518 3.616 20 0 HHADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCc1ccc(C(=O)OC)o1 ZINC000482211609 995195284 /nfs/dbraw/zinc/19/52/84/995195284.db2.gz KHPAQJBNPNHZQB-SJLPKXTDSA-N 2 1 416.518 3.616 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(Cl)cc3-n3cncn3)CC2)C[C@H](C)O1 ZINC000474276516 995272284 /nfs/dbraw/zinc/27/22/84/995272284.db2.gz JYPQXFBBPKMZCY-HDICACEKSA-N 2 1 417.985 3.632 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccnn3-c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000474277554 995273054 /nfs/dbraw/zinc/27/30/54/995273054.db2.gz MHUNQAWCPIRSOX-KDURUIRLSA-N 2 1 400.542 3.723 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)C1 ZINC000482339972 995318546 /nfs/dbraw/zinc/31/85/46/995318546.db2.gz YSELBMWTMOUDCI-MOPGFXCFSA-N 2 1 419.591 3.529 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000474348736 995327999 /nfs/dbraw/zinc/32/79/99/995327999.db2.gz IEJNNWWEUKVSSF-GOSISDBHSA-N 2 1 424.427 3.887 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000482553887 995561140 /nfs/dbraw/zinc/56/11/40/995561140.db2.gz MLEYDCSZLUDACK-HFZDXXHNSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000482553887 995561149 /nfs/dbraw/zinc/56/11/49/995561149.db2.gz MLEYDCSZLUDACK-HFZDXXHNSA-N 2 1 407.602 3.644 20 0 HHADMP Cc1ccccc1COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000482555290 995562648 /nfs/dbraw/zinc/56/26/48/995562648.db2.gz QFSHAOINOKVZDY-UNMCSNQZSA-N 2 1 409.574 3.812 20 0 HHADMP CCc1nc(C)c([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000482634141 995628462 /nfs/dbraw/zinc/62/84/62/995628462.db2.gz ISQAOKKMCLXNFS-BEFAXECRSA-N 2 1 400.592 3.562 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCSc4ccc(F)cc43)c2)C1 ZINC000482636035 995629872 /nfs/dbraw/zinc/62/98/72/995629872.db2.gz LIPGILONEZTONQ-GHTZIAJQSA-N 2 1 413.562 3.850 20 0 HHADMP Cc1nc(-c2cc([C@H](C)[NH2+]C3CC[NH+](CCC(=O)N(C)C)CC3)cs2)cs1 ZINC000482855964 995795164 /nfs/dbraw/zinc/79/51/64/995795164.db2.gz JHQUMEKQWPLBLG-AWEZNQCLSA-N 2 1 406.621 3.773 20 0 HHADMP CCN(C(=O)NC[C@H](c1ccccc1OC)[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475032758 995883273 /nfs/dbraw/zinc/88/32/73/995883273.db2.gz XKMHMLQPGPNSNP-FYYLOGMGSA-N 2 1 424.589 3.604 20 0 HHADMP CCN(C(=O)NC[C@H](c1ccccc1OC)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475032758 995883278 /nfs/dbraw/zinc/88/32/78/995883278.db2.gz XKMHMLQPGPNSNP-FYYLOGMGSA-N 2 1 424.589 3.604 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000475114023 995930538 /nfs/dbraw/zinc/93/05/38/995930538.db2.gz VWHHHSVOFCBCDQ-VXKWHMMOSA-N 2 1 410.562 3.641 20 0 HHADMP CN(C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475128093 995940727 /nfs/dbraw/zinc/94/07/27/995940727.db2.gz DWEDFYOKROKNCX-VWLOTQADSA-N 2 1 420.601 3.815 20 0 HHADMP CN(C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475137714 995946732 /nfs/dbraw/zinc/94/67/32/995946732.db2.gz KYKWQNVOXXEPIW-RUZDIDTESA-N 2 1 420.601 3.609 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000475138300 995947484 /nfs/dbraw/zinc/94/74/84/995947484.db2.gz UWVPYBFKTGLGRF-SANMLTNESA-N 2 1 420.601 3.946 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)C[NH2+]C(C)(C)c1ccccc1Br)c1ccccc1 ZINC000475144579 995951888 /nfs/dbraw/zinc/95/18/88/995951888.db2.gz IJDSZKIHTGQYDO-IBGZPJMESA-N 2 1 418.379 3.693 20 0 HHADMP CC(C)c1nc2c([nH]1)CC[C@H](C(=O)Nc1cccc(N3CC[NH+](CC4CC4)CC3)c1)C2 ZINC000475176189 995973296 /nfs/dbraw/zinc/97/32/96/995973296.db2.gz ZGOIPRHTTWYVBG-IBGZPJMESA-N 2 1 421.589 3.809 20 0 HHADMP CCN(C(=O)NCCCC[NH+]1CCCC[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475177581 995974592 /nfs/dbraw/zinc/97/45/92/995974592.db2.gz ZHPSMHQFLDZSEB-GGAORHGYSA-N 2 1 400.611 3.947 20 0 HHADMP CCN(C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475177581 995974601 /nfs/dbraw/zinc/97/46/01/995974601.db2.gz ZHPSMHQFLDZSEB-GGAORHGYSA-N 2 1 400.611 3.947 20 0 HHADMP CCN(C(=O)NCCCC[N@H+]1CCCC[C@H]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475177581 995974607 /nfs/dbraw/zinc/97/46/07/995974607.db2.gz ZHPSMHQFLDZSEB-GGAORHGYSA-N 2 1 400.611 3.947 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2)[C@H](C)C1 ZINC000483140176 995998910 /nfs/dbraw/zinc/99/89/10/995998910.db2.gz ZSOAHWNGNFWTIC-LMNJBCLMSA-N 2 1 424.427 3.754 20 0 HHADMP Cc1ccc(NCCCNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)[nH+]c1 ZINC000475256131 996028228 /nfs/dbraw/zinc/02/82/28/996028228.db2.gz DRJDDUPXRYJBJQ-XZOQPEGZSA-N 2 1 421.589 3.888 20 0 HHADMP Cc1ccc(NCCCNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)[nH+]c1 ZINC000475256131 996028235 /nfs/dbraw/zinc/02/82/35/996028235.db2.gz DRJDDUPXRYJBJQ-XZOQPEGZSA-N 2 1 421.589 3.888 20 0 HHADMP CN(c1ccccc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000475292509 996049823 /nfs/dbraw/zinc/04/98/23/996049823.db2.gz SPIYDNACKXJBBE-HSZRJFAPSA-N 3 1 406.618 3.829 20 0 HHADMP CN(c1ccccc1CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000475292509 996049826 /nfs/dbraw/zinc/04/98/26/996049826.db2.gz SPIYDNACKXJBBE-HSZRJFAPSA-N 2 1 406.618 3.829 20 0 HHADMP CN(c1ccccc1CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000475292509 996049829 /nfs/dbraw/zinc/04/98/29/996049829.db2.gz SPIYDNACKXJBBE-HSZRJFAPSA-N 2 1 406.618 3.829 20 0 HHADMP O=C(NC1CC([NH+]2CCCCC2)C1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000475308629 996059714 /nfs/dbraw/zinc/05/97/14/996059714.db2.gz BLXRXHQXGLBAGQ-ABZZFDDBSA-N 2 1 410.606 3.699 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(C)[C@H]3CC[NH+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000475313117 996063338 /nfs/dbraw/zinc/06/33/38/996063338.db2.gz OTXTWCJPPONQJR-BKSPAHHJSA-N 2 1 421.585 3.642 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(C)[C@H]3CC[NH+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000475313117 996063344 /nfs/dbraw/zinc/06/33/44/996063344.db2.gz OTXTWCJPPONQJR-BKSPAHHJSA-N 2 1 421.585 3.642 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N(C)[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000475313117 996063346 /nfs/dbraw/zinc/06/33/46/996063346.db2.gz OTXTWCJPPONQJR-BKSPAHHJSA-N 2 1 421.585 3.642 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N(C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000475313117 996063352 /nfs/dbraw/zinc/06/33/52/996063352.db2.gz OTXTWCJPPONQJR-BKSPAHHJSA-N 2 1 421.585 3.642 20 0 HHADMP O[C@H](COCc1cccs1)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483476784 996205000 /nfs/dbraw/zinc/20/50/00/996205000.db2.gz PZIBXLDOBFBLPH-GIWBLDEGSA-N 2 1 400.588 3.612 20 0 HHADMP O[C@H](COCc1cccs1)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483476784 996205007 /nfs/dbraw/zinc/20/50/07/996205007.db2.gz PZIBXLDOBFBLPH-GIWBLDEGSA-N 2 1 400.588 3.612 20 0 HHADMP O[C@H](COCc1cccs1)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483476784 996205014 /nfs/dbraw/zinc/20/50/14/996205014.db2.gz PZIBXLDOBFBLPH-GIWBLDEGSA-N 2 1 400.588 3.612 20 0 HHADMP O[C@H](COCc1cccs1)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483476784 996205021 /nfs/dbraw/zinc/20/50/21/996205021.db2.gz PZIBXLDOBFBLPH-GIWBLDEGSA-N 2 1 400.588 3.612 20 0 HHADMP O[C@H](COCc1cccs1)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483476780 996205085 /nfs/dbraw/zinc/20/50/85/996205085.db2.gz PZIBXLDOBFBLPH-FUDKSRODSA-N 2 1 400.588 3.612 20 0 HHADMP O[C@H](COCc1cccs1)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483476780 996205088 /nfs/dbraw/zinc/20/50/88/996205088.db2.gz PZIBXLDOBFBLPH-FUDKSRODSA-N 2 1 400.588 3.612 20 0 HHADMP O[C@H](COCc1cccs1)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483476780 996205091 /nfs/dbraw/zinc/20/50/91/996205091.db2.gz PZIBXLDOBFBLPH-FUDKSRODSA-N 2 1 400.588 3.612 20 0 HHADMP O[C@H](COCc1cccs1)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483476780 996205094 /nfs/dbraw/zinc/20/50/94/996205094.db2.gz PZIBXLDOBFBLPH-FUDKSRODSA-N 2 1 400.588 3.612 20 0 HHADMP CC[NH+](CC)CCSCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483592895 996272850 /nfs/dbraw/zinc/27/28/50/996272850.db2.gz BDLKPKCEHZNOLK-YADHBBJMSA-N 2 1 403.636 3.575 20 0 HHADMP C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000483627392 996295376 /nfs/dbraw/zinc/29/53/76/996295376.db2.gz VGPBWIIBOYAGQS-FOIQADDNSA-N 2 1 409.496 3.831 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)C[C@@H]1C ZINC000483715963 996346432 /nfs/dbraw/zinc/34/64/32/996346432.db2.gz XXQKKXICNDYPBF-JTAQYXEDSA-N 2 1 400.611 3.933 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C[C@@H]1C ZINC000483715963 996346437 /nfs/dbraw/zinc/34/64/37/996346437.db2.gz XXQKKXICNDYPBF-JTAQYXEDSA-N 2 1 400.611 3.933 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C[C@@H]1C ZINC000483715963 996346442 /nfs/dbraw/zinc/34/64/42/996346442.db2.gz XXQKKXICNDYPBF-JTAQYXEDSA-N 2 1 400.611 3.933 20 0 HHADMP C[C@@H](NC(=O)NCCC[N@@H+](C)C1CCCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000483876474 996442291 /nfs/dbraw/zinc/44/22/91/996442291.db2.gz NCAXXXXIOCUBMW-IRLDBZIGSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@@H](NC(=O)NCCC[NH+](C)C1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000483876474 996442295 /nfs/dbraw/zinc/44/22/95/996442295.db2.gz NCAXXXXIOCUBMW-IRLDBZIGSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@@H](NC(=O)NCCC[NH+](C)C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000483876474 996442298 /nfs/dbraw/zinc/44/22/98/996442298.db2.gz NCAXXXXIOCUBMW-IRLDBZIGSA-N 2 1 400.611 3.851 20 0 HHADMP CCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000483878681 996444255 /nfs/dbraw/zinc/44/42/55/996444255.db2.gz WZVWCUVORPCBAL-RTWAWAEBSA-N 2 1 408.537 3.662 20 0 HHADMP CCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000483878681 996444257 /nfs/dbraw/zinc/44/42/57/996444257.db2.gz WZVWCUVORPCBAL-RTWAWAEBSA-N 2 1 408.537 3.662 20 0 HHADMP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000483920870 996469674 /nfs/dbraw/zinc/46/96/74/996469674.db2.gz BKDBNUIJGSRYNU-UHFFFAOYSA-N 2 1 409.622 3.809 20 0 HHADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000476042338 996562194 /nfs/dbraw/zinc/56/21/94/996562194.db2.gz OIRCBAMREWSJFT-QGZVFWFLSA-N 2 1 420.561 3.616 20 0 HHADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000484134060 996589190 /nfs/dbraw/zinc/58/91/90/996589190.db2.gz TYUFHGMHKOCWCS-DYESRHJHSA-N 2 1 408.464 3.915 20 0 HHADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000484134060 996589196 /nfs/dbraw/zinc/58/91/96/996589196.db2.gz TYUFHGMHKOCWCS-DYESRHJHSA-N 2 1 408.464 3.915 20 0 HHADMP CN(C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000476442456 996913557 /nfs/dbraw/zinc/91/35/57/996913557.db2.gz WMFSIOBNTGKERT-HSZRJFAPSA-N 2 1 406.574 3.793 20 0 HHADMP CC(C)[N@H+](Cc1ccc(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1)C[C@H]1CCCCO1 ZINC000484656672 996993905 /nfs/dbraw/zinc/99/39/05/996993905.db2.gz RKGZSXRFOMQKID-JTHBVZDNSA-N 2 1 416.610 3.882 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](C[NH+](C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000484713081 997052894 /nfs/dbraw/zinc/05/28/94/997052894.db2.gz WUTKRIYSZZJWSU-UIAACRFSSA-N 2 1 410.965 3.596 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@H](C[NH+](C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000484713081 997052906 /nfs/dbraw/zinc/05/29/06/997052906.db2.gz WUTKRIYSZZJWSU-UIAACRFSSA-N 2 1 410.965 3.596 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)C1 ZINC000484716787 997057396 /nfs/dbraw/zinc/05/73/96/997057396.db2.gz VMIBHKSLZPPNBK-RZUBCFFCSA-N 2 1 423.605 3.589 20 0 HHADMP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000476800476 997348838 /nfs/dbraw/zinc/34/88/38/997348838.db2.gz BTIBYTIPGTZFFQ-PXNSSMCTSA-N 2 1 422.017 3.676 20 0 HHADMP C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476983139 997606009 /nfs/dbraw/zinc/60/60/09/997606009.db2.gz KNKCHTVWUSLBNN-QTEQDKRBSA-N 2 1 413.606 3.991 20 0 HHADMP COc1cccc(COC[C@H](O)C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000476986390 997610357 /nfs/dbraw/zinc/61/03/57/997610357.db2.gz PTJXDNBQLKAIMA-NZQKXSOJSA-N 2 1 404.595 3.549 20 0 HHADMP COc1cccc(CNC(=O)[C@@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000476990990 997616867 /nfs/dbraw/zinc/61/68/67/997616867.db2.gz XZCJSCWRSQJBLJ-WOJBJXKFSA-N 2 1 401.595 3.676 20 0 HHADMP C(CC[NH+]1CC[C@H](C[NH+]2CCCCC2)C1)CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000477049804 997689867 /nfs/dbraw/zinc/68/98/67/997689867.db2.gz KLLQVRRDBIDAFP-JWQCQUIFSA-N 4 1 404.687 3.772 20 0 HHADMP CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCC[NH+]2Cc2cccc(Cl)c2)C1 ZINC000485388566 997816549 /nfs/dbraw/zinc/81/65/49/997816549.db2.gz NGUSCICITXJSJG-CTNGQTDRSA-N 2 1 407.002 3.678 20 0 HHADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCC[NH+]2Cc2cccc(Cl)c2)C1 ZINC000485388566 997816555 /nfs/dbraw/zinc/81/65/55/997816555.db2.gz NGUSCICITXJSJG-CTNGQTDRSA-N 2 1 407.002 3.678 20 0 HHADMP CC[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC000485388566 997816559 /nfs/dbraw/zinc/81/65/59/997816559.db2.gz NGUSCICITXJSJG-CTNGQTDRSA-N 2 1 407.002 3.678 20 0 HHADMP CC[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000485388566 997816562 /nfs/dbraw/zinc/81/65/62/997816562.db2.gz NGUSCICITXJSJG-CTNGQTDRSA-N 2 1 407.002 3.678 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000477298204 997984950 /nfs/dbraw/zinc/98/49/50/997984950.db2.gz KNELEHOZIQTNDL-UCBGAZFYSA-N 2 1 410.606 3.842 20 0 HHADMP C[N@H+]1CCC[C@H]2CN(C(=O)NCC3CC[NH+](Cc4ccccc4Cl)CC3)CC[C@@H]21 ZINC000485602087 998048970 /nfs/dbraw/zinc/04/89/70/998048970.db2.gz QCJYIKFJOSANML-UNMCSNQZSA-N 2 1 419.013 3.678 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2ncsc2c1 ZINC000485824300 998291354 /nfs/dbraw/zinc/29/13/54/998291354.db2.gz BZZYBVOHBOMZHF-UWVAXJGDSA-N 2 1 408.571 3.726 20 0 HHADMP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)C2=O)cc1 ZINC000477909242 998649085 /nfs/dbraw/zinc/64/90/85/998649085.db2.gz DJOCSRSBMDYBFL-RCTAOEEJSA-N 2 1 403.570 3.596 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000486272108 998689010 /nfs/dbraw/zinc/68/90/10/998689010.db2.gz AYIVHSXHBJDCPJ-FCHUYYIVSA-N 2 1 420.548 3.662 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000486272108 998689012 /nfs/dbraw/zinc/68/90/12/998689012.db2.gz AYIVHSXHBJDCPJ-FCHUYYIVSA-N 2 1 420.548 3.662 20 0 HHADMP C[C@@H](NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486300518 998701991 /nfs/dbraw/zinc/70/19/91/998701991.db2.gz TXUTVTMWJREHBU-GBAAUQCPSA-N 2 1 414.638 3.954 20 0 HHADMP C[C@@H](NC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486300518 998701997 /nfs/dbraw/zinc/70/19/97/998701997.db2.gz TXUTVTMWJREHBU-GBAAUQCPSA-N 2 1 414.638 3.954 20 0 HHADMP C[C@@H](NC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486300518 998702003 /nfs/dbraw/zinc/70/20/03/998702003.db2.gz TXUTVTMWJREHBU-GBAAUQCPSA-N 2 1 414.638 3.954 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000478032548 998724608 /nfs/dbraw/zinc/72/46/08/998724608.db2.gz XPUFPHMZULHLTD-XMMPIXPASA-N 2 1 421.589 3.508 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000478035079 998726579 /nfs/dbraw/zinc/72/65/79/998726579.db2.gz CWJIIKUUPZUHFD-HKUYNNGSSA-N 2 1 403.533 3.764 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000478035080 998726714 /nfs/dbraw/zinc/72/67/14/998726714.db2.gz CWJIIKUUPZUHFD-IEBWSBKVSA-N 2 1 403.533 3.764 20 0 HHADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000486486001 998790446 /nfs/dbraw/zinc/79/04/46/998790446.db2.gz LIGRNPDEEAQRKI-LJQANCHMSA-N 2 1 405.464 3.771 20 0 HHADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3nc(-c4ccc(F)c(F)c4)no3)CC2)C[C@H](C)O1 ZINC000486781750 998937775 /nfs/dbraw/zinc/93/77/75/998937775.db2.gz TZXLLODPETYGQF-IYBDPMFKSA-N 2 1 420.504 3.726 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3nc(-c4ccc(F)c(F)c4)no3)CC2)C[C@H](C)O1 ZINC000486781750 998937778 /nfs/dbraw/zinc/93/77/78/998937778.db2.gz TZXLLODPETYGQF-IYBDPMFKSA-N 2 1 420.504 3.726 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)cc1)C1CC1 ZINC000487016387 999037437 /nfs/dbraw/zinc/03/74/37/999037437.db2.gz ZXCWLZAQEXAGRD-QHCPKHFHSA-N 2 1 405.586 3.965 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1)C1CC1 ZINC000487016387 999037442 /nfs/dbraw/zinc/03/74/42/999037442.db2.gz ZXCWLZAQEXAGRD-QHCPKHFHSA-N 2 1 405.586 3.965 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1)C1CC1 ZINC000487016387 999037446 /nfs/dbraw/zinc/03/74/46/999037446.db2.gz ZXCWLZAQEXAGRD-QHCPKHFHSA-N 2 1 405.586 3.965 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000478620749 999049832 /nfs/dbraw/zinc/04/98/32/999049832.db2.gz KJQLTKFKSXREOW-OAQYLSRUSA-N 2 1 405.627 3.525 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N[C@@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)[nH+]c1 ZINC000487090978 999060066 /nfs/dbraw/zinc/06/00/66/999060066.db2.gz QOBOFVSYCYWGLA-UNMCSNQZSA-N 2 1 421.589 3.569 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N[C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)[nH+]c1 ZINC000487090978 999060072 /nfs/dbraw/zinc/06/00/72/999060072.db2.gz QOBOFVSYCYWGLA-UNMCSNQZSA-N 2 1 421.589 3.569 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000487801446 999294280 /nfs/dbraw/zinc/29/42/80/999294280.db2.gz PEPMIJDUCAYQOI-VXKWHMMOSA-N 2 1 422.564 3.910 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000487801446 999294284 /nfs/dbraw/zinc/29/42/84/999294284.db2.gz PEPMIJDUCAYQOI-VXKWHMMOSA-N 2 1 422.564 3.910 20 0 HHADMP O=C([C@@H](c1ccccc1)[NH+]1CCSCC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000487875969 999301247 /nfs/dbraw/zinc/30/12/47/999301247.db2.gz PPIWFGJKEXFCTL-JTHBVZDNSA-N 2 1 415.647 3.891 20 0 HHADMP CC[NH+]1CCN(c2ccccc2NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000479304563 999375373 /nfs/dbraw/zinc/37/53/73/999375373.db2.gz DIPOGUVQMVRNAM-QFIPXVFZSA-N 2 1 406.574 3.679 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)C1 ZINC000479307542 999376548 /nfs/dbraw/zinc/37/65/48/999376548.db2.gz NNSJBHKHSIGTPJ-HPJCCJEISA-N 2 1 412.622 3.931 20 0 HHADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1OCC(=O)N(C)C ZINC000479467640 999429970 /nfs/dbraw/zinc/42/99/70/999429970.db2.gz WGSLIKXTTAGDKC-JTHBVZDNSA-N 2 1 409.574 3.716 20 0 HHADMP CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000489230717 999726985 /nfs/dbraw/zinc/72/69/85/999726985.db2.gz HKPDQJHEXKQUDA-FQEVSTJZSA-N 2 1 406.640 3.868 20 0 HHADMP c1cc(CN2CC[C@H](C[NH+]3CCCC3)C2)cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000489260067 999732271 /nfs/dbraw/zinc/73/22/71/999732271.db2.gz VYACXFBCGKKLGW-CLJLJLNGSA-N 3 1 410.650 3.522 20 0 HHADMP c1cc(CN2CC[C@H](C[NH+]3CCCC3)C2)cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000489260067 999732274 /nfs/dbraw/zinc/73/22/74/999732274.db2.gz VYACXFBCGKKLGW-CLJLJLNGSA-N 3 1 410.650 3.522 20 0 HHADMP Ic1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1CCCC1)CCCO2 ZINC000480156896 999733064 /nfs/dbraw/zinc/73/30/64/999733064.db2.gz CNBRZOQBBAWQEG-MRXNPFEDSA-N 2 1 400.304 3.580 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000489274870 999735052 /nfs/dbraw/zinc/73/50/52/999735052.db2.gz FJXBPYSGBWDMGY-SANMLTNESA-N 2 1 420.601 3.946 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000489274870 999735056 /nfs/dbraw/zinc/73/50/56/999735056.db2.gz FJXBPYSGBWDMGY-SANMLTNESA-N 2 1 420.601 3.946 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000489274870 999735058 /nfs/dbraw/zinc/73/50/58/999735058.db2.gz FJXBPYSGBWDMGY-SANMLTNESA-N 2 1 420.601 3.946 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)[NH+](C)C)cc1 ZINC000489400159 999759347 /nfs/dbraw/zinc/75/93/47/999759347.db2.gz JNFCOBFDGSOLCC-HUVFLSCGSA-N 2 1 408.590 3.808 20 0 HHADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)C[C@@H](C)C1 ZINC000489410736 999761200 /nfs/dbraw/zinc/76/12/00/999761200.db2.gz ZPKLXPWMCWEFKY-JLCRNFDHSA-N 2 1 404.624 3.503 20 0 HHADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C[C@@H](C)C1 ZINC000489410736 999761202 /nfs/dbraw/zinc/76/12/02/999761202.db2.gz ZPKLXPWMCWEFKY-JLCRNFDHSA-N 2 1 404.624 3.503 20 0 HHADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C[C@@H](C)C1 ZINC000489410736 999761204 /nfs/dbraw/zinc/76/12/04/999761204.db2.gz ZPKLXPWMCWEFKY-JLCRNFDHSA-N 2 1 404.624 3.503 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000489536890 999787130 /nfs/dbraw/zinc/78/71/30/999787130.db2.gz YHVUMHKYZJRRFR-UIFIKXQLSA-N 2 1 400.592 3.561 20 0 HHADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cccc(OC)c1 ZINC000480397738 999789381 /nfs/dbraw/zinc/78/93/81/999789381.db2.gz RMNAGJHSXALLRE-KSNOWIBYSA-N 2 1 410.606 3.973 20 0 HHADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cccc(OC)c1 ZINC000480397738 999789384 /nfs/dbraw/zinc/78/93/84/999789384.db2.gz RMNAGJHSXALLRE-KSNOWIBYSA-N 2 1 410.606 3.973 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000489581253 999796843 /nfs/dbraw/zinc/79/68/43/999796843.db2.gz GFQPGMXVVDDOBH-MBSDFSHPSA-N 2 1 412.553 3.597 20 0 HHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)NCc2ccc(Cl)s2)CC1 ZINC000489636891 999807458 /nfs/dbraw/zinc/80/74/58/999807458.db2.gz VEWWRIPENUCDIR-UHFFFAOYSA-N 2 1 405.995 3.862 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)NCc2ccc(Cl)s2)CC1 ZINC000489636891 999807459 /nfs/dbraw/zinc/80/74/59/999807459.db2.gz VEWWRIPENUCDIR-UHFFFAOYSA-N 2 1 405.995 3.862 20 0 HHADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000480602971 999838168 /nfs/dbraw/zinc/83/81/68/999838168.db2.gz QVTVGOFFACSMMH-MOPGFXCFSA-N 2 1 415.603 3.820 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000489821716 999844040 /nfs/dbraw/zinc/84/40/40/999844040.db2.gz BIUIRWXDNWYISF-OFVILXPXSA-N 2 1 420.601 3.992 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC000489832924 999845989 /nfs/dbraw/zinc/84/59/89/999845989.db2.gz NGDRRHCBYHMGDM-PTUXOGIPSA-N 2 1 424.589 3.508 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC000489832924 999845991 /nfs/dbraw/zinc/84/59/91/999845991.db2.gz NGDRRHCBYHMGDM-PTUXOGIPSA-N 2 1 424.589 3.508 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC000489832922 999846044 /nfs/dbraw/zinc/84/60/44/999846044.db2.gz NGDRRHCBYHMGDM-PMOQBDJRSA-N 2 1 424.589 3.508 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC000489832922 999846046 /nfs/dbraw/zinc/84/60/46/999846046.db2.gz NGDRRHCBYHMGDM-PMOQBDJRSA-N 2 1 424.589 3.508 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000489847292 999848760 /nfs/dbraw/zinc/84/87/60/999848760.db2.gz ZEFFQXHIABDFBD-NOZRDPDXSA-N 2 1 420.601 3.687 20 0 HHADMP Brc1cnn(CCC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000490355638 999943550 /nfs/dbraw/zinc/94/35/50/999943550.db2.gz QSBLKVBTSRJBBF-MISYRCLQSA-N 2 1 403.368 3.536 20 0 HHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4ccncc4OC[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000490368708 999946124 /nfs/dbraw/zinc/94/61/24/999946124.db2.gz MYDQLQQHKBPVEP-VZVHPENPSA-N 2 1 421.585 3.887 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4ccncc4OC[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000490368708 999946128 /nfs/dbraw/zinc/94/61/28/999946128.db2.gz MYDQLQQHKBPVEP-VZVHPENPSA-N 2 1 421.585 3.887 20 0 HHADMP C[C@H]1C[N@@H+](CCOC(c2ccccc2)c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490654858 999989539 /nfs/dbraw/zinc/98/95/39/999989539.db2.gz ZALHIRQLZDCHQD-WIOPSUGQSA-N 2 1 407.602 3.750 20 0 HHADMP C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490769767 1000003601 /nfs/dbraw/zinc/00/36/01/1000003601.db2.gz NPJACZVZXFHJED-FTBPSBKWSA-N 2 1 405.586 3.925 20 0 HHADMP C[C@H](NC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490769767 1000003604 /nfs/dbraw/zinc/00/36/04/1000003604.db2.gz NPJACZVZXFHJED-FTBPSBKWSA-N 2 1 405.586 3.925 20 0 HHADMP C[C@H](NC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490769767 1000003609 /nfs/dbraw/zinc/00/36/09/1000003609.db2.gz NPJACZVZXFHJED-FTBPSBKWSA-N 2 1 405.586 3.925 20 0 HHADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000490978010 1000029835 /nfs/dbraw/zinc/02/98/35/1000029835.db2.gz UEEZJXYNLADNMP-UHFFFAOYSA-N 2 1 424.614 3.975 20 0 HHADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000490978010 1000029837 /nfs/dbraw/zinc/02/98/37/1000029837.db2.gz UEEZJXYNLADNMP-UHFFFAOYSA-N 2 1 424.614 3.975 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1cccc(F)c1 ZINC000490988275 1000030841 /nfs/dbraw/zinc/03/08/41/1000030841.db2.gz LTKJVUWELCUPGQ-NRFANRHFSA-N 2 1 416.566 3.799 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490991951 1000031270 /nfs/dbraw/zinc/03/12/70/1000031270.db2.gz YZYYXNADPVXONB-NLFFAJNJSA-N 2 1 411.565 3.863 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490991951 1000031271 /nfs/dbraw/zinc/03/12/71/1000031271.db2.gz YZYYXNADPVXONB-NLFFAJNJSA-N 2 1 411.565 3.863 20 0 HHADMP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000491022505 1000034891 /nfs/dbraw/zinc/03/48/91/1000034891.db2.gz SBIFCMCKTRCRLD-JTSKRJEESA-N 2 1 413.997 3.563 20 0 HHADMP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000491022505 1000034893 /nfs/dbraw/zinc/03/48/93/1000034893.db2.gz SBIFCMCKTRCRLD-JTSKRJEESA-N 2 1 413.997 3.563 20 0 HHADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000491024357 1000035286 /nfs/dbraw/zinc/03/52/86/1000035286.db2.gz XDBQTPSKSWXUNU-DNRQZRRGSA-N 2 1 420.601 3.958 20 0 HHADMP CC(C)Oc1ccc([C@@H](CNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)[NH+](C)C)cc1 ZINC000491082487 1000043519 /nfs/dbraw/zinc/04/35/19/1000043519.db2.gz WOTBZWQZZMTLDF-WMZHIEFXSA-N 2 1 416.610 3.592 20 0 HHADMP C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@H+](C2CCC2)C1 ZINC000491123359 1000047708 /nfs/dbraw/zinc/04/77/08/1000047708.db2.gz KXRAJJOLINYZPY-GMAHTHKFSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC[NH+](C2CCC2)C1 ZINC000491123359 1000047709 /nfs/dbraw/zinc/04/77/09/1000047709.db2.gz KXRAJJOLINYZPY-GMAHTHKFSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC[NH+](C2CCC2)C1 ZINC000491123359 1000047712 /nfs/dbraw/zinc/04/77/12/1000047712.db2.gz KXRAJJOLINYZPY-GMAHTHKFSA-N 2 1 412.622 3.805 20 0 HHADMP CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c2ccccc2C1 ZINC000491316807 1000064421 /nfs/dbraw/zinc/06/44/21/1000064421.db2.gz MSCQHUGGGPEVQX-BVFVYWQFSA-N 2 1 421.585 3.879 20 0 HHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000491382146 1000070088 /nfs/dbraw/zinc/07/00/88/1000070088.db2.gz ATBCIZZXBXGEEA-LJQANCHMSA-N 2 1 424.593 3.846 20 0 HHADMP C[C@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000493861260 1000198658 /nfs/dbraw/zinc/19/86/58/1000198658.db2.gz HJVNHBCGQJBQFQ-OPYAIIAOSA-N 2 1 411.512 3.678 20 0 HHADMP C[C@H](CNC(=O)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000493861260 1000198659 /nfs/dbraw/zinc/19/86/59/1000198659.db2.gz HJVNHBCGQJBQFQ-OPYAIIAOSA-N 2 1 411.512 3.678 20 0 HHADMP C[C@H](CNC(=O)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000493861260 1000198660 /nfs/dbraw/zinc/19/86/60/1000198660.db2.gz HJVNHBCGQJBQFQ-OPYAIIAOSA-N 2 1 411.512 3.678 20 0 HHADMP COC[C@H](NCc1cccc(OCCN2CCOCC2)c1)c1ccc(Cl)cc1 ZINC000493897417 1000204272 /nfs/dbraw/zinc/20/42/72/1000204272.db2.gz NYISCZCDDKNOAH-QFIPXVFZSA-N 2 1 404.938 3.528 20 0 HHADMP CC(C)N1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494162991 1000335683 /nfs/dbraw/zinc/33/56/83/1000335683.db2.gz HYONRNASEGKZPF-GMAHTHKFSA-N 2 1 401.501 3.737 20 0 HHADMP CC(C)N1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494162991 1000335688 /nfs/dbraw/zinc/33/56/88/1000335688.db2.gz HYONRNASEGKZPF-GMAHTHKFSA-N 2 1 401.501 3.737 20 0 HHADMP C[C@@H](CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000504871239 1000416799 /nfs/dbraw/zinc/41/67/99/1000416799.db2.gz XAUCSCVBVVJFCQ-GHTZIAJQSA-N 2 1 412.603 3.631 20 0 HHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000504910931 1000442890 /nfs/dbraw/zinc/44/28/90/1000442890.db2.gz YQRAZLRFRFWBEA-FQEVSTJZSA-N 2 1 408.590 3.774 20 0 HHADMP CCc1ccc([C@@H](CNC(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)[NH+](C)C)cc1 ZINC000504983742 1000488141 /nfs/dbraw/zinc/48/81/41/1000488141.db2.gz UPOSTTUUJZZYJB-DYESRHJHSA-N 2 1 414.619 3.659 20 0 HHADMP CCc1ccc([C@@H](CNC(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)[NH+](C)C)cc1 ZINC000504983742 1000488144 /nfs/dbraw/zinc/48/81/44/1000488144.db2.gz UPOSTTUUJZZYJB-DYESRHJHSA-N 2 1 414.619 3.659 20 0 HHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000504987758 1000490747 /nfs/dbraw/zinc/49/07/47/1000490747.db2.gz CILVKBWRIREVDR-SFHVURJKSA-N 2 1 414.619 3.836 20 0 HHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000504987758 1000490754 /nfs/dbraw/zinc/49/07/54/1000490754.db2.gz CILVKBWRIREVDR-SFHVURJKSA-N 2 1 414.619 3.836 20 0 HHADMP CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)CC2)CC1 ZINC000505067218 1000534151 /nfs/dbraw/zinc/53/41/51/1000534151.db2.gz ZEEUHMBEFIXYLY-VNXZQDSDSA-N 2 1 401.570 3.949 20 0 HHADMP CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)CC2)CC1 ZINC000505067218 1000534155 /nfs/dbraw/zinc/53/41/55/1000534155.db2.gz ZEEUHMBEFIXYLY-VNXZQDSDSA-N 2 1 401.570 3.949 20 0 HHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C[C@H](C)O1 ZINC000494573818 1000560703 /nfs/dbraw/zinc/56/07/03/1000560703.db2.gz HYKUBAUXGKJMAI-HDICACEKSA-N 2 1 424.511 3.929 20 0 HHADMP C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000495000972 1000771522 /nfs/dbraw/zinc/77/15/22/1000771522.db2.gz YLLUKZCATVLNFH-JXFKEZNVSA-N 2 1 421.511 3.553 20 0 HHADMP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000495000972 1000771526 /nfs/dbraw/zinc/77/15/26/1000771526.db2.gz YLLUKZCATVLNFH-JXFKEZNVSA-N 2 1 421.511 3.553 20 0 HHADMP CC[N@@H+](CCNC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)CCC(F)(F)F ZINC000495015588 1000778984 /nfs/dbraw/zinc/77/89/84/1000778984.db2.gz GRQBXMQMIIRDQL-UHFFFAOYSA-N 2 1 414.516 3.533 20 0 HHADMP C[NH+](C)CCN(CC1CCCCC1)C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000495097743 1000839723 /nfs/dbraw/zinc/83/97/23/1000839723.db2.gz JHDJXNGJQWHTOL-UHFFFAOYSA-N 2 1 405.493 3.789 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000505760873 1001009907 /nfs/dbraw/zinc/00/99/07/1001009907.db2.gz ZJZAPGPBXOMXJE-BHIYHBOVSA-N 2 1 411.512 3.683 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc(-c2ccc(F)cc2)nc1C ZINC000505785804 1001022553 /nfs/dbraw/zinc/02/25/53/1001022553.db2.gz WWRUFPFXTJGFLG-LJQANCHMSA-N 2 1 418.582 3.746 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505857475 1001064695 /nfs/dbraw/zinc/06/46/95/1001064695.db2.gz RPKLXANYESHXOI-FYYLOGMGSA-N 2 1 421.585 3.557 20 0 HHADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000505891258 1001083729 /nfs/dbraw/zinc/08/37/29/1001083729.db2.gz IVNSOTLKIZTNBE-YADHBBJMSA-N 2 1 413.512 3.535 20 0 HHADMP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH+](Cc2ccccc2)CCC1(F)F ZINC000505891258 1001083736 /nfs/dbraw/zinc/08/37/36/1001083736.db2.gz IVNSOTLKIZTNBE-YADHBBJMSA-N 2 1 413.512 3.535 20 0 HHADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[NH+](Cc2ccccc2)CCC1(F)F ZINC000505891258 1001083740 /nfs/dbraw/zinc/08/37/40/1001083740.db2.gz IVNSOTLKIZTNBE-YADHBBJMSA-N 2 1 413.512 3.535 20 0 HHADMP Cc1ccccc1Nc1nc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cs1 ZINC000497510902 1001411513 /nfs/dbraw/zinc/41/15/13/1001411513.db2.gz RHEAFCWMGHDSEN-WCRBZPEASA-N 2 1 411.619 3.938 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497562124 1001436481 /nfs/dbraw/zinc/43/64/81/1001436481.db2.gz UTBGJDYIIWOUHZ-QHCPKHFHSA-N 2 1 412.622 3.505 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)c1ccco1 ZINC000506623870 1001474733 /nfs/dbraw/zinc/47/47/33/1001474733.db2.gz FCEDXMNFYGVGPJ-PWRODBHTSA-N 2 1 404.599 3.959 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000506630540 1001476841 /nfs/dbraw/zinc/47/68/41/1001476841.db2.gz CCSFJHSHLVXKIP-NZQKXSOJSA-N 2 1 400.611 3.934 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000506630540 1001476843 /nfs/dbraw/zinc/47/68/43/1001476843.db2.gz CCSFJHSHLVXKIP-NZQKXSOJSA-N 2 1 400.611 3.934 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000506630540 1001476844 /nfs/dbraw/zinc/47/68/44/1001476844.db2.gz CCSFJHSHLVXKIP-NZQKXSOJSA-N 2 1 400.611 3.934 20 0 HHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)CC1 ZINC000506687965 1001494329 /nfs/dbraw/zinc/49/43/29/1001494329.db2.gz DWRIQHQMALBQGR-QFIPXVFZSA-N 2 1 422.621 3.526 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)[NH+]1CCc2sccc2C1 ZINC000506935711 1001602681 /nfs/dbraw/zinc/60/26/81/1001602681.db2.gz SYPXKDLRRDVNKX-XUVXKRRUSA-N 2 1 418.651 3.791 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)[NH+]1CCc2sccc2C1 ZINC000506935711 1001602687 /nfs/dbraw/zinc/60/26/87/1001602687.db2.gz SYPXKDLRRDVNKX-XUVXKRRUSA-N 2 1 418.651 3.791 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)[N@@H+]1CCc2sccc2C1 ZINC000506935711 1001602689 /nfs/dbraw/zinc/60/26/89/1001602689.db2.gz SYPXKDLRRDVNKX-XUVXKRRUSA-N 2 1 418.651 3.791 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)[N@H+]1CCc2sccc2C1 ZINC000506935711 1001602692 /nfs/dbraw/zinc/60/26/92/1001602692.db2.gz SYPXKDLRRDVNKX-XUVXKRRUSA-N 2 1 418.651 3.791 20 0 HHADMP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000498126616 1001652986 /nfs/dbraw/zinc/65/29/86/1001652986.db2.gz KZOFLSFLAPEVFQ-QPPBQGQZSA-N 2 1 406.574 3.651 20 0 HHADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)C1 ZINC000498166246 1001671377 /nfs/dbraw/zinc/67/13/77/1001671377.db2.gz NCUSLXAHQXNWCL-DBVUQKKJSA-N 2 1 422.976 3.742 20 0 HHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000498291717 1001760082 /nfs/dbraw/zinc/76/00/82/1001760082.db2.gz IJGWXOMHDHZIMK-XZOQPEGZSA-N 2 1 400.611 3.934 20 0 HHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000498291717 1001760083 /nfs/dbraw/zinc/76/00/83/1001760083.db2.gz IJGWXOMHDHZIMK-XZOQPEGZSA-N 2 1 400.611 3.934 20 0 HHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000498291717 1001760087 /nfs/dbraw/zinc/76/00/87/1001760087.db2.gz IJGWXOMHDHZIMK-XZOQPEGZSA-N 2 1 400.611 3.934 20 0 HHADMP C[C@@H](C[NH2+][C@H](c1ccco1)c1ccc(Br)cc1)CN1CC[NH+](C)CC1 ZINC000498456086 1001882982 /nfs/dbraw/zinc/88/29/82/1001882982.db2.gz ZYJUOAQUFUVIAQ-JXFKEZNVSA-N 2 1 406.368 3.605 20 0 HHADMP CCOC(=O)c1c(C(C)C)csc1NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000507272822 1001956105 /nfs/dbraw/zinc/95/61/05/1001956105.db2.gz GVWMVAVZQYFSGM-UHFFFAOYSA-N 2 1 424.611 3.538 20 0 HHADMP Cc1ccc(C)n1C1CC[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000507359961 1002021980 /nfs/dbraw/zinc/02/19/80/1002021980.db2.gz MDOVBSNPFJEZFK-FYYLOGMGSA-N 2 1 408.590 3.521 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000498665524 1002059583 /nfs/dbraw/zinc/05/95/83/1002059583.db2.gz DODCEFACOPZAOB-BVYCBKJFSA-N 2 1 420.548 3.758 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000498665524 1002059592 /nfs/dbraw/zinc/05/95/92/1002059592.db2.gz DODCEFACOPZAOB-BVYCBKJFSA-N 2 1 420.548 3.758 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000498690002 1002077376 /nfs/dbraw/zinc/07/73/76/1002077376.db2.gz PNAHYQYPKKYKAG-FCHUYYIVSA-N 2 1 420.548 3.758 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000498690002 1002077386 /nfs/dbraw/zinc/07/73/86/1002077386.db2.gz PNAHYQYPKKYKAG-FCHUYYIVSA-N 2 1 420.548 3.758 20 0 HHADMP CC(C)C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(=O)Nc1nccs1 ZINC000507490155 1002103383 /nfs/dbraw/zinc/10/33/83/1002103383.db2.gz ZYOAPAQDFOKOIQ-BURNTYAHSA-N 2 1 412.603 3.997 20 0 HHADMP CC(C)C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(=O)Nc1nccs1 ZINC000507490155 1002103388 /nfs/dbraw/zinc/10/33/88/1002103388.db2.gz ZYOAPAQDFOKOIQ-BURNTYAHSA-N 2 1 412.603 3.997 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]Cc4ccnc(OC5CCOCC5)c4)[C@@H]3C2)cc1 ZINC000507511195 1002121337 /nfs/dbraw/zinc/12/13/37/1002121337.db2.gz OBWKRNYSDGLELH-QTJGBDASSA-N 2 1 407.558 3.640 20 0 HHADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccc(Oc4ccccc4)nn3)CC2)C[C@H](C)O1 ZINC000499053724 1002435600 /nfs/dbraw/zinc/43/56/00/1002435600.db2.gz OKCOSMHHECHYPF-BGYRXZFFSA-N 2 1 410.562 3.980 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(Oc4ccccc4)nn3)CC2)C[C@H](C)O1 ZINC000499053724 1002435608 /nfs/dbraw/zinc/43/56/08/1002435608.db2.gz OKCOSMHHECHYPF-BGYRXZFFSA-N 2 1 410.562 3.980 20 0 HHADMP C[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000499150777 1002534244 /nfs/dbraw/zinc/53/42/44/1002534244.db2.gz ZCWSXXKYFDQIOV-DAANFHMWSA-N 2 1 418.629 3.982 20 0 HHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccc(CN4CCOCC4)cc2)C3)cc1 ZINC000499157626 1002541975 /nfs/dbraw/zinc/54/19/75/1002541975.db2.gz QNUVFYAIYAOEEK-OOSCYNTBSA-N 2 1 405.586 3.804 20 0 HHADMP FC(F)(F)c1ccnc(NCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000499256755 1002656996 /nfs/dbraw/zinc/65/69/96/1002656996.db2.gz RJJACMOFPVDMHU-BCDXTJNWSA-N 2 1 405.468 3.693 20 0 HHADMP CSc1cc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1F ZINC000499396215 1002784019 /nfs/dbraw/zinc/78/40/19/1002784019.db2.gz USBBQSNYOARLLX-UHFFFAOYSA-N 2 1 407.599 3.816 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000499578752 1002956277 /nfs/dbraw/zinc/95/62/77/1002956277.db2.gz YNGIXGKGBVWAKE-PMACEKPBSA-N 2 1 410.562 3.754 20 0 HHADMP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000508611438 1003066235 /nfs/dbraw/zinc/06/62/35/1003066235.db2.gz BSISHTJTHZCGDY-JOCHJYFZSA-N 2 1 422.617 3.859 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000508611438 1003066245 /nfs/dbraw/zinc/06/62/45/1003066245.db2.gz BSISHTJTHZCGDY-JOCHJYFZSA-N 2 1 422.617 3.859 20 0 HHADMP C[C@H]([NH2+][C@@H]1CCN(CCCc2ccccc2)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508712185 1003150880 /nfs/dbraw/zinc/15/08/80/1003150880.db2.gz CFLVJKOCULTAIG-GVXSCFBNSA-N 2 1 405.586 3.720 20 0 HHADMP C[C@H]([NH2+][C@@H]1CCN(CCCc2ccccc2)C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508712185 1003150891 /nfs/dbraw/zinc/15/08/91/1003150891.db2.gz CFLVJKOCULTAIG-GVXSCFBNSA-N 2 1 405.586 3.720 20 0 HHADMP Cc1cccc([C@H](C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)N2CCOCC2)c1 ZINC000508719497 1003160230 /nfs/dbraw/zinc/16/02/30/1003160230.db2.gz KWJUHZZNYZHZTO-HRNNMHKYSA-N 2 1 407.602 3.869 20 0 HHADMP COc1ccc([C@H](C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)N2CCOCC2)cc1 ZINC000508722290 1003163019 /nfs/dbraw/zinc/16/30/19/1003163019.db2.gz XBPUZPKKHFTBIO-DSBYRVASSA-N 2 1 423.601 3.569 20 0 HHADMP C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508723137 1003163753 /nfs/dbraw/zinc/16/37/53/1003163753.db2.gz ZZQFMMDHYJTOAR-GVXSCFBNSA-N 2 1 405.586 3.720 20 0 HHADMP C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508723137 1003163757 /nfs/dbraw/zinc/16/37/57/1003163757.db2.gz ZZQFMMDHYJTOAR-GVXSCFBNSA-N 2 1 405.586 3.720 20 0 HHADMP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[NH+](C)C ZINC000508868866 1003289117 /nfs/dbraw/zinc/28/91/17/1003289117.db2.gz WHLUKCHCCLLDGP-SJROBZAFSA-N 2 1 423.605 3.716 20 0 HHADMP Cc1ccc(C[C@H]2CCC[N@H+]2CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000500180510 1003529619 /nfs/dbraw/zinc/52/96/19/1003529619.db2.gz HMILWAVNKMFFIE-RUZDIDTESA-N 2 1 405.586 3.914 20 0 HHADMP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3C(F)(F)F)cccc21 ZINC000509367259 1003795821 /nfs/dbraw/zinc/79/58/21/1003795821.db2.gz RNHYISWSROWCLF-BFYDXBDKSA-N 2 1 413.484 3.919 20 0 HHADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000509467914 1003884632 /nfs/dbraw/zinc/88/46/32/1003884632.db2.gz GRTSBFFXPGGFSI-JOCHJYFZSA-N 2 1 419.491 3.819 20 0 HHADMP Cn1cc(-c2ccc(C[NH2+]CCCN3CC[N@@H+](C)C[C@H]3c3ccccc3)s2)cn1 ZINC000509526057 1003923621 /nfs/dbraw/zinc/92/36/21/1003923621.db2.gz PUVMQARVPQFDJY-QFIPXVFZSA-N 2 1 409.603 3.617 20 0 HHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000500844989 1003997886 /nfs/dbraw/zinc/99/78/86/1003997886.db2.gz YAJBOLRRRZFKJE-HSZRJFAPSA-N 2 1 400.611 3.805 20 0 HHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000500844989 1003997889 /nfs/dbraw/zinc/99/78/89/1003997889.db2.gz YAJBOLRRRZFKJE-HSZRJFAPSA-N 2 1 400.611 3.805 20 0 HHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000500844989 1003997896 /nfs/dbraw/zinc/99/78/96/1003997896.db2.gz YAJBOLRRRZFKJE-HSZRJFAPSA-N 2 1 400.611 3.805 20 0 HHADMP COc1ccc(Cl)cc1C1(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CCOCC1 ZINC000512086046 1004011398 /nfs/dbraw/zinc/01/13/98/1004011398.db2.gz AHNZHSOIPKKCOF-UHFFFAOYSA-N 2 1 409.983 3.705 20 0 HHADMP C[C@H]1C[C@@H](CCNC(=O)NCc2ccc(C[NH+](C)C)cc2)C[N@H+]1Cc1ccccc1 ZINC000509777143 1004088696 /nfs/dbraw/zinc/08/86/96/1004088696.db2.gz LVKUHBJCFUYUGY-GBXCKJPGSA-N 2 1 408.590 3.848 20 0 HHADMP Cc1ccc([C@H](NC(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)C2CC2)cc1 ZINC000501025539 1004129845 /nfs/dbraw/zinc/12/98/45/1004129845.db2.gz ZAPICRFEIBGYIP-VWLOTQADSA-N 2 1 406.574 3.806 20 0 HHADMP C[N@H+](Cc1nc2sc3c(c2c(N)n1)CCCC3)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501028961 1004132769 /nfs/dbraw/zinc/13/27/69/1004132769.db2.gz OTVLLXSBGXOHMK-UHFFFAOYSA-N 2 1 422.602 3.896 20 0 HHADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cccc(C(=O)OC(C)(C)C)c3)CC2)CC1 ZINC000501030692 1004134620 /nfs/dbraw/zinc/13/46/20/1004134620.db2.gz GESYVTVRSKLQOY-UHFFFAOYSA-N 2 1 401.595 3.632 20 0 HHADMP CN(C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCc2ccccc21 ZINC000501046146 1004147176 /nfs/dbraw/zinc/14/71/76/1004147176.db2.gz OPTNZIFEXVESER-DEOSSOPVSA-N 2 1 406.574 3.766 20 0 HHADMP C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501053390 1004156487 /nfs/dbraw/zinc/15/64/87/1004156487.db2.gz NJZIWMLAVNXLTQ-GOSISDBHSA-N 2 1 403.530 3.805 20 0 HHADMP C[N@H+](Cc1nc(-c2cc(F)c(F)c(F)c2)no1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501065997 1004168653 /nfs/dbraw/zinc/16/86/53/1004168653.db2.gz BSWNSZCBLOHEFN-UHFFFAOYSA-N 2 1 417.435 3.897 20 0 HHADMP Cc1ccc(F)c(N2CCC[C@@H]([N@@H+](C)CC3CCN(c4cc[nH+]cc4)CC3)C2=O)c1 ZINC000501069369 1004171160 /nfs/dbraw/zinc/17/11/60/1004171160.db2.gz OLQJVALTPVJSEM-JOCHJYFZSA-N 2 1 410.537 3.873 20 0 HHADMP CCC[N@H+](Cc1cccc(C(=O)N(C)C)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512284422 1004187216 /nfs/dbraw/zinc/18/72/16/1004187216.db2.gz YMIAQPSBPAACFD-UHFFFAOYSA-N 2 1 409.578 3.676 20 0 HHADMP CCC[N@@H+](Cc1cccc(C(=O)N(C)C)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512284422 1004187219 /nfs/dbraw/zinc/18/72/19/1004187219.db2.gz YMIAQPSBPAACFD-UHFFFAOYSA-N 2 1 409.578 3.676 20 0 HHADMP CC(C)[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000501130013 1004223223 /nfs/dbraw/zinc/22/32/23/1004223223.db2.gz BSXYXWPOCUFJQC-QHCPKHFHSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@H]1C[C@H](CCNC(=O)N(CC[NH+](C)C)Cc2ccco2)C[N@H+]1Cc1ccccc1 ZINC000512413266 1004280609 /nfs/dbraw/zinc/28/06/09/1004280609.db2.gz USADKKCDAVUDDX-UNMCSNQZSA-N 2 1 412.578 3.654 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[N@H+](C3CCCC3)CC2)C[NH+]1Cc1ccccc1 ZINC000512413724 1004281274 /nfs/dbraw/zinc/28/12/74/1004281274.db2.gz ZKCSXKIUOBIPCT-FYYLOGMGSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[NH+](C3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512413724 1004281280 /nfs/dbraw/zinc/28/12/80/1004281280.db2.gz ZKCSXKIUOBIPCT-FYYLOGMGSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[NH+](C3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000512413724 1004281295 /nfs/dbraw/zinc/28/12/95/1004281295.db2.gz ZKCSXKIUOBIPCT-FYYLOGMGSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@H]1C[C@H](CCNC(=O)N2CCC[N@H+](C3CCCC3)CC2)C[NH+]1Cc1ccccc1 ZINC000512413726 1004281794 /nfs/dbraw/zinc/28/17/94/1004281794.db2.gz ZKCSXKIUOBIPCT-GMAHTHKFSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@H]1C[C@H](CCNC(=O)N2CCC[NH+](C3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512413726 1004281802 /nfs/dbraw/zinc/28/18/02/1004281802.db2.gz ZKCSXKIUOBIPCT-GMAHTHKFSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@H]1C[C@H](CCNC(=O)N2CCC[NH+](C3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000512413726 1004281811 /nfs/dbraw/zinc/28/18/11/1004281811.db2.gz ZKCSXKIUOBIPCT-GMAHTHKFSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000512423918 1004289816 /nfs/dbraw/zinc/28/98/16/1004289816.db2.gz LNBNMKPJVQIVMC-NHTMILBNSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000512424677 1004290227 /nfs/dbraw/zinc/29/02/27/1004290227.db2.gz SHFPAYMENQPXGI-GIQJJWITSA-N 2 1 424.633 3.945 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000512424677 1004290238 /nfs/dbraw/zinc/29/02/38/1004290238.db2.gz SHFPAYMENQPXGI-GIQJJWITSA-N 2 1 424.633 3.945 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000512424677 1004290246 /nfs/dbraw/zinc/29/02/46/1004290246.db2.gz SHFPAYMENQPXGI-GIQJJWITSA-N 2 1 424.633 3.945 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000512424839 1004291428 /nfs/dbraw/zinc/29/14/28/1004291428.db2.gz URXXLTYARIKWTK-JRFVFWCSSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@H](C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000512429606 1004296228 /nfs/dbraw/zinc/29/62/28/1004296228.db2.gz HWHIOCSMCIRKAP-CEXWTWQISA-N 2 1 400.567 3.701 20 0 HHADMP CSc1ccc(OCC[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512473770 1004329019 /nfs/dbraw/zinc/32/90/19/1004329019.db2.gz GCURJOOZSKTQHN-QFIPXVFZSA-N 2 1 411.615 3.679 20 0 HHADMP CSc1ccc(OCC[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512473770 1004329024 /nfs/dbraw/zinc/32/90/24/1004329024.db2.gz GCURJOOZSKTQHN-QFIPXVFZSA-N 2 1 411.615 3.679 20 0 HHADMP CC[C@@H](CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000501351506 1004361390 /nfs/dbraw/zinc/36/13/90/1004361390.db2.gz LKOMYNLTFNQVKZ-QFIPXVFZSA-N 2 1 424.589 3.722 20 0 HHADMP C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000501363435 1004368408 /nfs/dbraw/zinc/36/84/08/1004368408.db2.gz OYYQOQXUWOFVGB-TYJFDUFHSA-N 2 1 408.590 3.888 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)C1CCCCC1 ZINC000501365964 1004369661 /nfs/dbraw/zinc/36/96/61/1004369661.db2.gz XXINLOPWGDYDLD-JOCHJYFZSA-N 2 1 404.574 3.554 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)C1CCCCC1 ZINC000501365964 1004369670 /nfs/dbraw/zinc/36/96/70/1004369670.db2.gz XXINLOPWGDYDLD-JOCHJYFZSA-N 2 1 404.574 3.554 20 0 HHADMP CC[C@H](CNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)[NH+]1CCc2ccccc2C1 ZINC000501396527 1004390911 /nfs/dbraw/zinc/39/09/11/1004390911.db2.gz FFLBRDNKAXLXGT-RPWUZVMVSA-N 2 1 406.574 3.522 20 0 HHADMP CC[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)[NH+]1CCc2ccccc2C1 ZINC000501396527 1004390921 /nfs/dbraw/zinc/39/09/21/1004390921.db2.gz FFLBRDNKAXLXGT-RPWUZVMVSA-N 2 1 406.574 3.522 20 0 HHADMP CC[C@H](CNC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000501396527 1004390931 /nfs/dbraw/zinc/39/09/31/1004390931.db2.gz FFLBRDNKAXLXGT-RPWUZVMVSA-N 2 1 406.574 3.522 20 0 HHADMP CC[C@H](CNC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000501396527 1004390942 /nfs/dbraw/zinc/39/09/42/1004390942.db2.gz FFLBRDNKAXLXGT-RPWUZVMVSA-N 2 1 406.574 3.522 20 0 HHADMP O[C@]1(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC[NH+](Cc2ccccc2)C1 ZINC000512611231 1004424840 /nfs/dbraw/zinc/42/48/40/1004424840.db2.gz JAYJFOSZKBMCJD-RAVGUYNFSA-N 2 1 419.613 3.514 20 0 HHADMP O[C@]1(CN[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)CC[N@H+](Cc2ccccc2)C1 ZINC000512611231 1004424847 /nfs/dbraw/zinc/42/48/47/1004424847.db2.gz JAYJFOSZKBMCJD-RAVGUYNFSA-N 2 1 419.613 3.514 20 0 HHADMP O[C@]1(CN[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)CC[N@@H+](Cc2ccccc2)C1 ZINC000512611231 1004424851 /nfs/dbraw/zinc/42/48/51/1004424851.db2.gz JAYJFOSZKBMCJD-RAVGUYNFSA-N 2 1 419.613 3.514 20 0 HHADMP O[C@]1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCN(Cc2ccccc2)C1 ZINC000512611231 1004424858 /nfs/dbraw/zinc/42/48/58/1004424858.db2.gz JAYJFOSZKBMCJD-RAVGUYNFSA-N 2 1 419.613 3.514 20 0 HHADMP O[C@]1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCN(Cc2ccccc2)C1 ZINC000512611231 1004424864 /nfs/dbraw/zinc/42/48/64/1004424864.db2.gz JAYJFOSZKBMCJD-RAVGUYNFSA-N 3 1 419.613 3.514 20 0 HHADMP CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510250509 1004425206 /nfs/dbraw/zinc/42/52/06/1004425206.db2.gz VHNCBNIXGSLZGX-UHFFFAOYSA-N 2 1 417.504 3.691 20 0 HHADMP CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510250509 1004425210 /nfs/dbraw/zinc/42/52/10/1004425210.db2.gz VHNCBNIXGSLZGX-UHFFFAOYSA-N 2 1 417.504 3.691 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]Cc4ccccc4N4CCOCC4)[C@@H]3C2)cc1 ZINC000512612306 1004425480 /nfs/dbraw/zinc/42/54/80/1004425480.db2.gz OJOSIQFWSVWATN-ISJGIBHGSA-N 2 1 405.586 3.914 20 0 HHADMP CCNC(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512632349 1004444686 /nfs/dbraw/zinc/44/46/86/1004444686.db2.gz ZKYVQZCEJDHNRV-PZUNEJSGSA-N 2 1 421.585 3.592 20 0 HHADMP O=C(C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)Nc1ccc(F)c(F)c1F ZINC000512650359 1004461687 /nfs/dbraw/zinc/46/16/87/1004461687.db2.gz ZLVZGHNGHFKORM-ZHALLVOQSA-N 2 1 417.475 3.933 20 0 HHADMP O=C(C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)Nc1ccc(F)c(F)c1F ZINC000512650359 1004461694 /nfs/dbraw/zinc/46/16/94/1004461694.db2.gz ZLVZGHNGHFKORM-ZHALLVOQSA-N 2 1 417.475 3.933 20 0 HHADMP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)N2CCOCC2)o1 ZINC000512652610 1004464809 /nfs/dbraw/zinc/46/48/09/1004464809.db2.gz ATABLSJOIVZPSZ-JBXUNAHCSA-N 2 1 423.601 3.852 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCc4nnc5n4CCCCC5)[C@@H]3C2)cc1 ZINC000512660858 1004472081 /nfs/dbraw/zinc/47/20/81/1004472081.db2.gz OZZQFECGXHBAKY-ZRBLBEILSA-N 2 1 407.606 3.827 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCC4([NH+]5CCCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000512661171 1004472253 /nfs/dbraw/zinc/47/22/53/1004472253.db2.gz QFYNDDHECLMNKS-GVAUOCQISA-N 2 1 411.634 3.912 20 0 HHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CC4(N5CCCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000512661171 1004472257 /nfs/dbraw/zinc/47/22/57/1004472257.db2.gz QFYNDDHECLMNKS-GVAUOCQISA-N 2 1 411.634 3.912 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC4(N5CCCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000512661171 1004472262 /nfs/dbraw/zinc/47/22/62/1004472262.db2.gz QFYNDDHECLMNKS-GVAUOCQISA-N 2 1 411.634 3.912 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000510324709 1004481859 /nfs/dbraw/zinc/48/18/59/1004481859.db2.gz RMHNGVPETMNCSV-OFNKIYASSA-N 2 1 400.611 3.708 20 0 HHADMP C[N@@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501527077 1004491595 /nfs/dbraw/zinc/49/15/95/1004491595.db2.gz GGFOQRARIGFGDC-HXUWFJFHSA-N 2 1 407.480 3.852 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000510462742 1004583295 /nfs/dbraw/zinc/58/32/95/1004583295.db2.gz XPEKMFLIOUATAH-VXKWHMMOSA-N 2 1 410.562 3.689 20 0 HHADMP C[C@H](NC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)C1=CC[NH+](C)CC1 ZINC000510480876 1004597544 /nfs/dbraw/zinc/59/75/44/1004597544.db2.gz LSKAXPULDVIJGG-AVRDEDQJSA-N 2 1 424.614 3.797 20 0 HHADMP C[C@H](NC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)C1=CC[NH+](C)CC1 ZINC000510480876 1004597548 /nfs/dbraw/zinc/59/75/48/1004597548.db2.gz LSKAXPULDVIJGG-AVRDEDQJSA-N 2 1 424.614 3.797 20 0 HHADMP C[C@H](NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1)C1=CC[N@H+](C)CC1 ZINC000510480876 1004597554 /nfs/dbraw/zinc/59/75/54/1004597554.db2.gz LSKAXPULDVIJGG-AVRDEDQJSA-N 2 1 424.614 3.797 20 0 HHADMP C[C@H](NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1)C1=CC[N@@H+](C)CC1 ZINC000510480876 1004597562 /nfs/dbraw/zinc/59/75/62/1004597562.db2.gz LSKAXPULDVIJGG-AVRDEDQJSA-N 2 1 424.614 3.797 20 0 HHADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCC[C@@H]3c3cccc(C(F)(F)F)c3)cn2)CC1 ZINC000512856014 1004618250 /nfs/dbraw/zinc/61/82/50/1004618250.db2.gz KYFCMUSYDLECIC-UXHICEINSA-N 2 1 419.495 3.673 20 0 HHADMP CC[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCc2ccccc2C1 ZINC000510501536 1004621215 /nfs/dbraw/zinc/62/12/15/1004621215.db2.gz MGVGQQNGPGGRMV-XKCSPQBFSA-N 2 1 412.622 3.776 20 0 HHADMP CC[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000510501536 1004621218 /nfs/dbraw/zinc/62/12/18/1004621218.db2.gz MGVGQQNGPGGRMV-XKCSPQBFSA-N 2 1 412.622 3.776 20 0 HHADMP CC[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000510501536 1004621221 /nfs/dbraw/zinc/62/12/21/1004621221.db2.gz MGVGQQNGPGGRMV-XKCSPQBFSA-N 2 1 412.622 3.776 20 0 HHADMP CC[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCc2ccccc2C1 ZINC000510501535 1004621808 /nfs/dbraw/zinc/62/18/08/1004621808.db2.gz MGVGQQNGPGGRMV-UNWVZKJWSA-N 2 1 412.622 3.776 20 0 HHADMP CC[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000510501535 1004621815 /nfs/dbraw/zinc/62/18/15/1004621815.db2.gz MGVGQQNGPGGRMV-UNWVZKJWSA-N 2 1 412.622 3.776 20 0 HHADMP CC[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000510501535 1004621819 /nfs/dbraw/zinc/62/18/19/1004621819.db2.gz MGVGQQNGPGGRMV-UNWVZKJWSA-N 2 1 412.622 3.776 20 0 HHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)[NH+](C)C ZINC000510529056 1004659790 /nfs/dbraw/zinc/65/97/90/1004659790.db2.gz ZLYAXZVCROBFDL-KXBFYZLASA-N 2 1 413.472 3.935 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501785572 1004727847 /nfs/dbraw/zinc/72/78/47/1004727847.db2.gz MIIBGNONWXGWPR-HXUWFJFHSA-N 2 1 411.594 3.870 20 0 HHADMP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2nc3ccccc3s2)CC1 ZINC000501791855 1004734793 /nfs/dbraw/zinc/73/47/93/1004734793.db2.gz HADLYVRGCJVFOP-KRWDZBQOSA-N 2 1 418.607 3.694 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2nc3ccccc3s2)CC1 ZINC000501791855 1004734797 /nfs/dbraw/zinc/73/47/97/1004734797.db2.gz HADLYVRGCJVFOP-KRWDZBQOSA-N 2 1 418.607 3.694 20 0 HHADMP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000513053930 1004781330 /nfs/dbraw/zinc/78/13/30/1004781330.db2.gz YTHRMBRBLMNGSX-SIKLNZKXSA-N 2 1 421.651 3.848 20 0 HHADMP C[C@H](CCc1c(F)cccc1F)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000510666209 1004788443 /nfs/dbraw/zinc/78/84/43/1004788443.db2.gz DGYPZNCPERXQDD-YLJYHZDGSA-N 2 1 415.528 3.773 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000501938564 1004819930 /nfs/dbraw/zinc/81/99/30/1004819930.db2.gz NBYAXVARTZPBCA-LJQANCHMSA-N 2 1 410.400 3.621 20 0 HHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C3CCN(c4nc(C)cs4)CC3)CC2)cs1 ZINC000513203546 1004859446 /nfs/dbraw/zinc/85/94/46/1004859446.db2.gz FWFKVIIZLXAQGK-UHFFFAOYSA-N 2 1 419.664 3.941 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000510835855 1004882632 /nfs/dbraw/zinc/88/26/32/1004882632.db2.gz GQJZCQVMNXQJFK-QFIPXVFZSA-N 2 1 400.611 3.707 20 0 HHADMP O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000510861974 1004897434 /nfs/dbraw/zinc/89/74/34/1004897434.db2.gz RSHSNEZJUMNKFK-LOSJGSFVSA-N 2 1 418.585 3.581 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccsc1 ZINC000510883092 1004909494 /nfs/dbraw/zinc/90/94/94/1004909494.db2.gz OCXBGQIGLKIIIZ-NHCUHLMSSA-N 2 1 414.619 3.951 20 0 HHADMP CC(C)COc1cccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000510887822 1004912175 /nfs/dbraw/zinc/91/21/75/1004912175.db2.gz MXZZWPBNJDYZTD-HSZRJFAPSA-N 2 1 409.574 3.709 20 0 HHADMP COc1cccc(C[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C2CC2)c1 ZINC000513372346 1004931824 /nfs/dbraw/zinc/93/18/24/1004931824.db2.gz PHZCCBXEXGDHJW-UKILVPOCSA-N 2 1 421.585 3.503 20 0 HHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000510992926 1004970854 /nfs/dbraw/zinc/97/08/54/1004970854.db2.gz DNMHJELOGFGWCZ-HSZRJFAPSA-N 2 1 411.571 3.981 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000513448296 1004970963 /nfs/dbraw/zinc/97/09/63/1004970963.db2.gz QZXBVJMIAPRFBL-RXVVDRJESA-N 2 1 411.512 3.822 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000513448296 1004970965 /nfs/dbraw/zinc/97/09/65/1004970965.db2.gz QZXBVJMIAPRFBL-RXVVDRJESA-N 2 1 411.512 3.822 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000513448296 1004970969 /nfs/dbraw/zinc/97/09/69/1004970969.db2.gz QZXBVJMIAPRFBL-RXVVDRJESA-N 2 1 411.512 3.822 20 0 HHADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000513496145 1004990816 /nfs/dbraw/zinc/99/08/16/1004990816.db2.gz AERUUYZOKFHJKN-UHFFFAOYSA-N 2 1 406.618 3.925 20 0 HHADMP CC[NH+]1CCN(c2ccccc2CN(C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000513496145 1004990817 /nfs/dbraw/zinc/99/08/17/1004990817.db2.gz AERUUYZOKFHJKN-UHFFFAOYSA-N 2 1 406.618 3.925 20 0 HHADMP COc1cc(C)c(C[C@@H](C)[NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)cc1OC ZINC000502285715 1004994055 /nfs/dbraw/zinc/99/40/55/1004994055.db2.gz VJTYGRHWTMJDGS-LJQANCHMSA-N 2 1 404.595 3.956 20 0 HHADMP C[N@H+]1CCN(CCC[NH2+][C@@H](Cc2ccccn2)c2cccnc2)[C@H](c2ccccc2)C1 ZINC000513518441 1005001958 /nfs/dbraw/zinc/00/19/58/1005001958.db2.gz MKAUERKACIWYRE-UIOOFZCWSA-N 2 1 415.585 3.729 20 0 HHADMP C[NH+](C)C[C@H](NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1ccc(Cl)cc1 ZINC000513572466 1005029990 /nfs/dbraw/zinc/02/99/90/1005029990.db2.gz MDDNXWZRGUAABO-ZACQAIPSSA-N 2 1 419.919 3.968 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000511143947 1005043004 /nfs/dbraw/zinc/04/30/04/1005043004.db2.gz RPMQTHKQGPWDMS-BKSPAHHJSA-N 2 1 421.585 3.577 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000511143947 1005043009 /nfs/dbraw/zinc/04/30/09/1005043009.db2.gz RPMQTHKQGPWDMS-BKSPAHHJSA-N 2 1 421.585 3.577 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000511143947 1005043015 /nfs/dbraw/zinc/04/30/15/1005043015.db2.gz RPMQTHKQGPWDMS-BKSPAHHJSA-N 2 1 421.585 3.577 20 0 HHADMP CCCCOc1ccc(C[NH+]2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)cc1 ZINC000513649577 1005065675 /nfs/dbraw/zinc/06/56/75/1005065675.db2.gz ZOWBJYOUYRVCTA-UHFFFAOYSA-N 2 1 401.595 3.632 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cc(C(=O)OC)ccc2F)CC1 ZINC000511204622 1005073246 /nfs/dbraw/zinc/07/32/46/1005073246.db2.gz SVAORLVDZRZNGV-INIZCTEOSA-N 2 1 417.500 3.744 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1-n1ccnn1 ZINC000513690781 1005084080 /nfs/dbraw/zinc/08/40/80/1005084080.db2.gz MDYOOBMWAQSXRH-HSALFYBXSA-N 2 1 405.546 3.727 20 0 HHADMP C[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511233252 1005084491 /nfs/dbraw/zinc/08/44/91/1005084491.db2.gz LLPLTGWEMFRZLZ-PMACEKPBSA-N 2 1 422.683 3.690 20 0 HHADMP COc1cc(C)c(C[C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1OC ZINC000502475108 1005086709 /nfs/dbraw/zinc/08/67/09/1005086709.db2.gz IWOYBFLWGCNJLB-AUSIDOKSSA-N 2 1 412.574 3.690 20 0 HHADMP C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511249116 1005090745 /nfs/dbraw/zinc/09/07/45/1005090745.db2.gz KNRZMXPECHRKLU-SLFFLAALSA-N 2 1 418.651 3.912 20 0 HHADMP C[C@H](NC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511249116 1005090751 /nfs/dbraw/zinc/09/07/51/1005090751.db2.gz KNRZMXPECHRKLU-SLFFLAALSA-N 2 1 418.651 3.912 20 0 HHADMP C[C@H](NC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511249116 1005090757 /nfs/dbraw/zinc/09/07/57/1005090757.db2.gz KNRZMXPECHRKLU-SLFFLAALSA-N 2 1 418.651 3.912 20 0 HHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000502493247 1005090758 /nfs/dbraw/zinc/09/07/58/1005090758.db2.gz JCTAINVQCBTYMX-OAQYLSRUSA-N 2 1 404.624 3.664 20 0 HHADMP C[C@@H](CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[N@@H+]1CCc2sccc2C1 ZINC000502502879 1005094459 /nfs/dbraw/zinc/09/44/59/1005094459.db2.gz RQPMCJPVUBQDGP-PELRDEGISA-N 2 1 418.651 3.837 20 0 HHADMP C[C@@H](CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[N@H+]1CCc2sccc2C1 ZINC000502502879 1005094461 /nfs/dbraw/zinc/09/44/61/1005094461.db2.gz RQPMCJPVUBQDGP-PELRDEGISA-N 2 1 418.651 3.837 20 0 HHADMP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511268877 1005099885 /nfs/dbraw/zinc/09/98/85/1005099885.db2.gz NCULMYUMXLEBPA-AZUAARDMSA-N 2 1 404.574 3.552 20 0 HHADMP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511268880 1005099926 /nfs/dbraw/zinc/09/99/26/1005099926.db2.gz NCULMYUMXLEBPA-UYAOXDASSA-N 2 1 404.574 3.552 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)c1cccs1 ZINC000513904876 1005180546 /nfs/dbraw/zinc/18/05/46/1005180546.db2.gz CMEVDLRVVWVABO-OAQYLSRUSA-N 2 1 414.619 3.701 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NC(C1CCC1)C1CCC1 ZINC000511530151 1005212586 /nfs/dbraw/zinc/21/25/86/1005212586.db2.gz DBCWQKHQSHRDLY-UHFFFAOYSA-N 2 1 404.643 3.793 20 0 HHADMP C[N@@H+](CCCNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000514011581 1005227233 /nfs/dbraw/zinc/22/72/33/1005227233.db2.gz QRYRANQDXACBSY-UHFFFAOYSA-N 2 1 408.590 3.720 20 0 HHADMP C[C@@H](CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCc2sccc2C1 ZINC000502822358 1005232618 /nfs/dbraw/zinc/23/26/18/1005232618.db2.gz BLCIVJGOTCWCTQ-OTWHNJEPSA-N 2 1 406.640 3.552 20 0 HHADMP C[C@@H](CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCc2sccc2C1 ZINC000502822358 1005232622 /nfs/dbraw/zinc/23/26/22/1005232622.db2.gz BLCIVJGOTCWCTQ-OTWHNJEPSA-N 2 1 406.640 3.552 20 0 HHADMP C[C@@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000502822358 1005232630 /nfs/dbraw/zinc/23/26/30/1005232630.db2.gz BLCIVJGOTCWCTQ-OTWHNJEPSA-N 2 1 406.640 3.552 20 0 HHADMP C[C@@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@H+]1CCc2sccc2C1 ZINC000502822358 1005232636 /nfs/dbraw/zinc/23/26/36/1005232636.db2.gz BLCIVJGOTCWCTQ-OTWHNJEPSA-N 2 1 406.640 3.552 20 0 HHADMP C[C@@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000502822359 1005232784 /nfs/dbraw/zinc/23/27/84/1005232784.db2.gz BLCIVJGOTCWCTQ-QRVBRYPASA-N 2 1 406.640 3.552 20 0 HHADMP C[C@@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[N@H+]1CCc2sccc2C1 ZINC000502822359 1005232787 /nfs/dbraw/zinc/23/27/87/1005232787.db2.gz BLCIVJGOTCWCTQ-QRVBRYPASA-N 2 1 406.640 3.552 20 0 HHADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCC2(CC)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000514026594 1005233585 /nfs/dbraw/zinc/23/35/85/1005233585.db2.gz IPVZEGLXQYHKOE-QFIPXVFZSA-N 2 1 400.611 3.710 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000511586602 1005235220 /nfs/dbraw/zinc/23/52/20/1005235220.db2.gz PJAHOWKJUFCAEP-QFIPXVFZSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000514033131 1005236312 /nfs/dbraw/zinc/23/63/12/1005236312.db2.gz QBBHZJQDZQABDO-HYBUGGRVSA-N 2 1 406.574 3.917 20 0 HHADMP COC(=O)[C@@H](C)Oc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000514092178 1005261644 /nfs/dbraw/zinc/26/16/44/1005261644.db2.gz CNQRVSCUPFPFJV-HXUWFJFHSA-N 2 1 410.558 3.971 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000514115269 1005272175 /nfs/dbraw/zinc/27/21/75/1005272175.db2.gz QSNYBZKPCZHROR-FYYLOGMGSA-N 2 1 400.611 3.943 20 0 HHADMP O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C1CC[NH+](C2CC2)CC1 ZINC000511751104 1005307059 /nfs/dbraw/zinc/30/70/59/1005307059.db2.gz FXSCPAIMTOZXNY-LOSJGSFVSA-N 2 1 403.570 3.645 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1F ZINC000514213033 1005316337 /nfs/dbraw/zinc/31/63/37/1005316337.db2.gz CKNVVWPBFOZWLQ-QFIPXVFZSA-N 2 1 421.520 3.956 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000503212137 1005369698 /nfs/dbraw/zinc/36/96/98/1005369698.db2.gz MSWVMEBWYFXOLH-NMVJMZGASA-N 2 1 420.601 3.686 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000503212137 1005369700 /nfs/dbraw/zinc/36/97/00/1005369700.db2.gz MSWVMEBWYFXOLH-NMVJMZGASA-N 2 1 420.601 3.686 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000503212137 1005369701 /nfs/dbraw/zinc/36/97/01/1005369701.db2.gz MSWVMEBWYFXOLH-NMVJMZGASA-N 2 1 420.601 3.686 20 0 HHADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000503392762 1005406258 /nfs/dbraw/zinc/40/62/58/1005406258.db2.gz QDSIGBJIVQMLKK-QFIPXVFZSA-N 2 1 412.622 3.732 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000503398549 1005408153 /nfs/dbraw/zinc/40/81/53/1005408153.db2.gz JXKBUGINOJADIT-FYYLOGMGSA-N 2 1 400.611 3.505 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000503398549 1005408156 /nfs/dbraw/zinc/40/81/56/1005408156.db2.gz JXKBUGINOJADIT-FYYLOGMGSA-N 2 1 400.611 3.505 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000503398549 1005408158 /nfs/dbraw/zinc/40/81/58/1005408158.db2.gz JXKBUGINOJADIT-FYYLOGMGSA-N 2 1 400.611 3.505 20 0 HHADMP C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)CC[C@H]3CCCC[NH+]3C)cc2)C[C@H]1C ZINC000503430492 1005418043 /nfs/dbraw/zinc/41/80/43/1005418043.db2.gz RTLHGXFNZBASFD-FUPPJEDESA-N 2 1 415.622 3.576 20 0 HHADMP C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)CC[C@H]3CCCC[N@@H+]3C)cc2)C[C@H]1C ZINC000503430492 1005418047 /nfs/dbraw/zinc/41/80/47/1005418047.db2.gz RTLHGXFNZBASFD-FUPPJEDESA-N 2 1 415.622 3.576 20 0 HHADMP C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)CC[C@H]3CCCC[N@H+]3C)cc2)C[C@H]1C ZINC000503430492 1005418050 /nfs/dbraw/zinc/41/80/50/1005418050.db2.gz RTLHGXFNZBASFD-FUPPJEDESA-N 2 1 415.622 3.576 20 0 HHADMP C[N@H+](CCC(F)(F)F)[C@@H](CNC(=O)N1CCC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000504381640 1005612790 /nfs/dbraw/zinc/61/27/90/1005612790.db2.gz JYQPUEXVDDWZQS-KRWDZBQOSA-N 2 1 420.907 3.612 20 0 HHADMP C[N@@H+](CCC(F)(F)F)[C@@H](CNC(=O)N1CCC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000504381640 1005612792 /nfs/dbraw/zinc/61/27/92/1005612792.db2.gz JYQPUEXVDDWZQS-KRWDZBQOSA-N 2 1 420.907 3.612 20 0 HHADMP C[NH+](CCC(F)(F)F)[C@@H](CNC(=O)N1CCC[N@H+](C)CC1)c1ccc(Cl)cc1 ZINC000504381640 1005612793 /nfs/dbraw/zinc/61/27/93/1005612793.db2.gz JYQPUEXVDDWZQS-KRWDZBQOSA-N 2 1 420.907 3.612 20 0 HHADMP C[NH+](CCC(F)(F)F)[C@@H](CNC(=O)N1CCC[N@@H+](C)CC1)c1ccc(Cl)cc1 ZINC000504381640 1005612795 /nfs/dbraw/zinc/61/27/95/1005612795.db2.gz JYQPUEXVDDWZQS-KRWDZBQOSA-N 2 1 420.907 3.612 20 0 HHADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3csc(-c4ccccn4)n3)CC2)C[C@H](C)O1 ZINC000531178297 1006029757 /nfs/dbraw/zinc/02/97/57/1006029757.db2.gz PUMHVSBPXPAPLS-ROUUACIJSA-N 2 1 400.592 3.916 20 0 HHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C[C@H](C)O1 ZINC000531199467 1006042580 /nfs/dbraw/zinc/04/25/80/1006042580.db2.gz QMKVVFUKXCHNDZ-IYBDPMFKSA-N 2 1 421.383 3.818 20 0 HHADMP CCC(CC)(CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000531300491 1006103378 /nfs/dbraw/zinc/10/33/78/1006103378.db2.gz WMBDFAXTRWYCOI-QFQXNSOFSA-N 2 1 423.601 3.649 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[NH+](C)C ZINC000531317100 1006117698 /nfs/dbraw/zinc/11/76/98/1006117698.db2.gz KKEPQVMFTPZKOX-PMACEKPBSA-N 2 1 418.969 3.553 20 0 HHADMP CCOC(=O)c1ccc2c(c1)nc(C[NH+]1CCC(C[N@H+](C)C(C)C)CC1)n2CC ZINC000514813812 1006144257 /nfs/dbraw/zinc/14/42/57/1006144257.db2.gz IKWYMRDQVPUDIP-UHFFFAOYSA-N 2 1 400.567 3.785 20 0 HHADMP CCOC(=O)c1ccc2c(c1)nc(C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)n2CC ZINC000514813812 1006144263 /nfs/dbraw/zinc/14/42/63/1006144263.db2.gz IKWYMRDQVPUDIP-UHFFFAOYSA-N 2 1 400.567 3.785 20 0 HHADMP Cc1nc2ccc(C(=O)N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)cc2nc1C ZINC000531427083 1006188170 /nfs/dbraw/zinc/18/81/70/1006188170.db2.gz LWYLJGSOBDPRDZ-UHFFFAOYSA-N 2 1 423.605 3.515 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[NH+](C)[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)c2cc1C ZINC000531427360 1006188250 /nfs/dbraw/zinc/18/82/50/1006188250.db2.gz ICRODQAYBJGIAF-OEMFJLHTSA-N 2 1 420.601 3.999 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[NH+](C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)c2cc1C ZINC000531427360 1006188254 /nfs/dbraw/zinc/18/82/54/1006188254.db2.gz ICRODQAYBJGIAF-OEMFJLHTSA-N 2 1 420.601 3.999 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[N@@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)c2cc1C ZINC000531427360 1006188258 /nfs/dbraw/zinc/18/82/58/1006188258.db2.gz ICRODQAYBJGIAF-OEMFJLHTSA-N 2 1 420.601 3.999 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[N@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)c2cc1C ZINC000531427360 1006188280 /nfs/dbraw/zinc/18/82/80/1006188280.db2.gz ICRODQAYBJGIAF-OEMFJLHTSA-N 2 1 420.601 3.999 20 0 HHADMP C[C@H](CNC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C[NH+]1CCCC1 ZINC000534207382 1006200764 /nfs/dbraw/zinc/20/07/64/1006200764.db2.gz XAJNVNCZLRBBQW-WRWLIDTKSA-N 2 1 410.965 3.503 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000531453773 1006207013 /nfs/dbraw/zinc/20/70/13/1006207013.db2.gz GNYHHGNMQSTJFU-OFNKIYASSA-N 2 1 406.574 3.776 20 0 HHADMP CCC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534234865 1006237372 /nfs/dbraw/zinc/23/73/72/1006237372.db2.gz HPXMCMLKKRIICK-UZLBHIALSA-N 2 1 410.965 3.646 20 0 HHADMP CC[C@H](CNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[N@H+]1CCc2ccccc2C1 ZINC000534237286 1006242867 /nfs/dbraw/zinc/24/28/67/1006242867.db2.gz OIBVWQIHMNDGMY-JOCHJYFZSA-N 2 1 412.553 3.523 20 0 HHADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1C ZINC000531677651 1006348535 /nfs/dbraw/zinc/34/85/35/1006348535.db2.gz FDGGJKLNJUJFER-RXVVDRJESA-N 2 1 414.619 3.660 20 0 HHADMP COc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)N2CCOCC2)cc1 ZINC000531692494 1006357429 /nfs/dbraw/zinc/35/74/29/1006357429.db2.gz CNFNVYWOXWFFEJ-DFBJGRDBSA-N 2 1 420.557 3.913 20 0 HHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000531759631 1006403550 /nfs/dbraw/zinc/40/35/50/1006403550.db2.gz ZBXCKLVVNLHRHG-GOTSBHOMSA-N 2 1 416.997 3.669 20 0 HHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000531759628 1006403568 /nfs/dbraw/zinc/40/35/68/1006403568.db2.gz ZBXCKLVVNLHRHG-DHIUTWEWSA-N 2 1 416.997 3.669 20 0 HHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccc4c(c3)CCC(=O)N4)cc2)CC1 ZINC000531937044 1006531734 /nfs/dbraw/zinc/53/17/34/1006531734.db2.gz PWSBSRKCBFLEGF-IBGZPJMESA-N 2 1 406.574 3.560 20 0 HHADMP CCC(CC)n1ncc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000534547403 1006537925 /nfs/dbraw/zinc/53/79/25/1006537925.db2.gz FFCQVFPNMDKZLU-UHFFFAOYSA-N 2 1 417.642 3.821 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 ZINC000531950790 1006540409 /nfs/dbraw/zinc/54/04/09/1006540409.db2.gz GSJNDZBTEXKVEA-UUOWRZLLSA-N 2 1 418.541 3.940 20 0 HHADMP Cc1c([C@@H](C)N[C@H](CN2CCN(C)CC2)c2ccccc2)nnn1-c1ccc(C)cc1 ZINC000531965630 1006550190 /nfs/dbraw/zinc/55/01/90/1006550190.db2.gz IULGAGIYLCRUTO-HYBUGGRVSA-N 2 1 418.589 3.523 20 0 HHADMP O=C(c1ccccc1Cl)N1CCC([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000532197184 1006713459 /nfs/dbraw/zinc/71/34/59/1006713459.db2.gz BLCFPSKZEBJBQA-UHFFFAOYSA-N 2 1 411.977 3.983 20 0 HHADMP O=C(c1ccccc1Cl)N1CCC([NH2+]CCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000532197184 1006713473 /nfs/dbraw/zinc/71/34/73/1006713473.db2.gz BLCFPSKZEBJBQA-UHFFFAOYSA-N 2 1 411.977 3.983 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccc(OCCN3CCOCC3)c2)cc1 ZINC000532204513 1006719695 /nfs/dbraw/zinc/71/96/95/1006719695.db2.gz PWFMGJPYIZPWER-FQEVSTJZSA-N 2 1 420.557 3.743 20 0 HHADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000515910773 1006755795 /nfs/dbraw/zinc/75/57/95/1006755795.db2.gz DRLSWRAWNPJFBK-GOSISDBHSA-N 2 1 422.564 3.883 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000515910773 1006755807 /nfs/dbraw/zinc/75/58/07/1006755807.db2.gz DRLSWRAWNPJFBK-GOSISDBHSA-N 2 1 422.564 3.883 20 0 HHADMP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)c2)CC1 ZINC000538546762 1006810339 /nfs/dbraw/zinc/81/03/39/1006810339.db2.gz QGMDJYQVNZDZMB-SQJMNOBHSA-N 2 1 407.606 3.935 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000532394819 1006842257 /nfs/dbraw/zinc/84/22/57/1006842257.db2.gz VWAIMJHOONUARS-NHCUHLMSSA-N 2 1 414.638 3.905 20 0 HHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccc4c(c3)OCCCO4)cc2)CC1 ZINC000532446413 1006888572 /nfs/dbraw/zinc/88/85/72/1006888572.db2.gz YTTIQRPCDGLYRY-HXUWFJFHSA-N 2 1 409.574 3.836 20 0 HHADMP C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000532473687 1006912684 /nfs/dbraw/zinc/91/26/84/1006912684.db2.gz JFEZXLGHDAKDGX-HXUWFJFHSA-N 2 1 423.557 3.850 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](C)C[N@@H+]3C[C@H](C)C[C@H](C)C3)c(C)c2)CC1 ZINC000516233229 1006964970 /nfs/dbraw/zinc/96/49/70/1006964970.db2.gz RGZXZBSBIAUKNP-SVFBPWRDSA-N 2 1 415.626 3.625 20 0 HHADMP CCCCCOc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1OC ZINC000538723106 1006998691 /nfs/dbraw/zinc/99/86/91/1006998691.db2.gz JWSYAJCHUQDEQD-IRLDBZIGSA-N 2 1 403.611 3.722 20 0 HHADMP CCCCCOc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1OC ZINC000538723106 1006998703 /nfs/dbraw/zinc/99/87/03/1006998703.db2.gz JWSYAJCHUQDEQD-IRLDBZIGSA-N 2 1 403.611 3.722 20 0 HHADMP C[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000538723155 1006998784 /nfs/dbraw/zinc/99/87/84/1006998784.db2.gz MYMNCWUFCGEWDG-NZQKXSOJSA-N 2 1 409.622 3.628 20 0 HHADMP C[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000538723155 1006998797 /nfs/dbraw/zinc/99/87/97/1006998797.db2.gz MYMNCWUFCGEWDG-NZQKXSOJSA-N 2 1 409.622 3.628 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cc(F)cc(C(F)(F)F)c3)c2)C1 ZINC000532567790 1006999570 /nfs/dbraw/zinc/99/95/70/1006999570.db2.gz MPXBJYVZIONMCE-GOSISDBHSA-N 2 1 423.454 3.832 20 0 HHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000538724161 1007002459 /nfs/dbraw/zinc/00/24/59/1007002459.db2.gz WECLBENIXHONIZ-HXOBKFHXSA-N 2 1 416.013 3.600 20 0 HHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000538724161 1007002474 /nfs/dbraw/zinc/00/24/74/1007002474.db2.gz WECLBENIXHONIZ-HXOBKFHXSA-N 2 1 416.013 3.600 20 0 HHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534958838 1007003528 /nfs/dbraw/zinc/00/35/28/1007003528.db2.gz ISTJHCKZZIMTJH-MBOZVWFJSA-N 2 1 410.965 3.646 20 0 HHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534958838 1007003539 /nfs/dbraw/zinc/00/35/39/1007003539.db2.gz ISTJHCKZZIMTJH-MBOZVWFJSA-N 2 1 410.965 3.646 20 0 HHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534958838 1007003548 /nfs/dbraw/zinc/00/35/48/1007003548.db2.gz ISTJHCKZZIMTJH-MBOZVWFJSA-N 2 1 410.965 3.646 20 0 HHADMP C[N@@H+](CCNC(=O)NC[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000534963304 1007013967 /nfs/dbraw/zinc/01/39/67/1007013967.db2.gz YXZSTTQWPRUUBS-OXQOHEQNSA-N 2 1 410.965 3.646 20 0 HHADMP C[NH+](CCNC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000534963304 1007013983 /nfs/dbraw/zinc/01/39/83/1007013983.db2.gz YXZSTTQWPRUUBS-OXQOHEQNSA-N 2 1 410.965 3.646 20 0 HHADMP C[NH+](CCNC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000534963304 1007013996 /nfs/dbraw/zinc/01/39/96/1007013996.db2.gz YXZSTTQWPRUUBS-OXQOHEQNSA-N 2 1 410.965 3.646 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000516325685 1007016518 /nfs/dbraw/zinc/01/65/18/1007016518.db2.gz UNCDNKFBNPKYEH-SFTDATJTSA-N 2 1 401.595 3.538 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2cccc3[nH]ccc32)CC1)Cc1ccccc1 ZINC000538736677 1007019376 /nfs/dbraw/zinc/01/93/76/1007019376.db2.gz WEUAKVOVMWJMML-UHFFFAOYSA-N 2 1 404.558 3.628 20 0 HHADMP CCOc1cccc(C[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000538737671 1007020089 /nfs/dbraw/zinc/02/00/89/1007020089.db2.gz VGIKICPPHNHYNU-UHFFFAOYSA-N 2 1 409.574 3.546 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000534969825 1007024749 /nfs/dbraw/zinc/02/47/49/1007024749.db2.gz AQDVLZXSWXFOEP-NRFANRHFSA-N 2 1 412.553 3.551 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000534978442 1007036923 /nfs/dbraw/zinc/03/69/23/1007036923.db2.gz AAVKOJXJFSXDLC-XMSQKQJNSA-N 2 1 412.553 3.740 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000534987228 1007045762 /nfs/dbraw/zinc/04/57/62/1007045762.db2.gz CDBJFWGZGWKIQA-OYRIPWCXSA-N 2 1 410.965 3.596 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC[NH+]1C ZINC000534987228 1007045770 /nfs/dbraw/zinc/04/57/70/1007045770.db2.gz CDBJFWGZGWKIQA-OYRIPWCXSA-N 2 1 410.965 3.596 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC[NH+]1C ZINC000534987228 1007045780 /nfs/dbraw/zinc/04/57/80/1007045780.db2.gz CDBJFWGZGWKIQA-OYRIPWCXSA-N 2 1 410.965 3.596 20 0 HHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000532627462 1007049201 /nfs/dbraw/zinc/04/92/01/1007049201.db2.gz UHSSPFBVFQXXNA-DHIUTWEWSA-N 2 1 416.997 3.669 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000535036054 1007075005 /nfs/dbraw/zinc/07/50/05/1007075005.db2.gz JRRNIIFFYPLTHX-NHCUHLMSSA-N 2 1 406.574 3.728 20 0 HHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000538795946 1007077091 /nfs/dbraw/zinc/07/70/91/1007077091.db2.gz FIRQSERWOHEGDS-YMPZKCBVSA-N 2 1 416.997 3.885 20 0 HHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000538795946 1007077106 /nfs/dbraw/zinc/07/71/06/1007077106.db2.gz FIRQSERWOHEGDS-YMPZKCBVSA-N 2 1 416.997 3.885 20 0 HHADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000538809600 1007088992 /nfs/dbraw/zinc/08/89/92/1007088992.db2.gz SWQGSHRTFHMSQL-XMMPIXPASA-N 2 1 407.558 3.555 20 0 HHADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000538809600 1007089004 /nfs/dbraw/zinc/08/90/04/1007089004.db2.gz SWQGSHRTFHMSQL-XMMPIXPASA-N 2 1 407.558 3.555 20 0 HHADMP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000532779661 1007177916 /nfs/dbraw/zinc/17/79/16/1007177916.db2.gz AEXBJHKUIDWFSS-JOCHJYFZSA-N 2 1 413.997 3.706 20 0 HHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1)CC1CC1 ZINC000538914111 1007197751 /nfs/dbraw/zinc/19/77/51/1007197751.db2.gz USKZQTJGQRSCHU-QFIPXVFZSA-N 2 1 416.610 3.960 20 0 HHADMP COc1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)ccc1OCCC(C)C ZINC000516625364 1007200793 /nfs/dbraw/zinc/20/07/93/1007200793.db2.gz NGDRMQNJYXGFKM-UHFFFAOYSA-N 2 1 412.534 3.519 20 0 HHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1)CC1CC1 ZINC000538915923 1007200984 /nfs/dbraw/zinc/20/09/84/1007200984.db2.gz BBFPMJOSZGWDCR-QHCPKHFHSA-N 2 1 400.611 3.833 20 0 HHADMP CN(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000538980390 1007272833 /nfs/dbraw/zinc/27/28/33/1007272833.db2.gz OTUICPGOVBZPCK-DEOSSOPVSA-N 2 1 421.589 3.604 20 0 HHADMP Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(CC[NH+](C)C)CC3)[C@@H](c3ccco3)C2)cc1 ZINC000532926828 1007299619 /nfs/dbraw/zinc/29/96/19/1007299619.db2.gz LRLWYLMQFHQRES-HSZRJFAPSA-N 2 1 422.573 3.929 20 0 HHADMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CC1 ZINC000532926776 1007299637 /nfs/dbraw/zinc/29/96/37/1007299637.db2.gz BKWVEFADIFSPRW-UHFFFAOYSA-N 2 1 408.518 3.691 20 0 HHADMP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000539036112 1007333561 /nfs/dbraw/zinc/33/35/61/1007333561.db2.gz WBTQRBPFYDICPG-QHCPKHFHSA-N 2 1 410.537 3.608 20 0 HHADMP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000539036112 1007333577 /nfs/dbraw/zinc/33/35/77/1007333577.db2.gz WBTQRBPFYDICPG-QHCPKHFHSA-N 2 1 410.537 3.608 20 0 HHADMP CC1CCN(S(=O)(=O)Cc2ccccc2C[NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000539053000 1007349694 /nfs/dbraw/zinc/34/96/94/1007349694.db2.gz BQGSXMLSZAECFG-UHFFFAOYSA-N 2 1 421.651 3.601 20 0 HHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000539062469 1007355866 /nfs/dbraw/zinc/35/58/66/1007355866.db2.gz XOUXPIMHUZZEOX-CEXWTWQISA-N 2 1 409.368 3.630 20 0 HHADMP Cc1cc(C)cc(OCCC[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000539145077 1007441434 /nfs/dbraw/zinc/44/14/34/1007441434.db2.gz BFTAJXCTSKYXNX-FGZHOGPDSA-N 2 1 404.595 3.663 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C[NH+]1Cc1ccccc1 ZINC000533119367 1007464711 /nfs/dbraw/zinc/46/47/11/1007464711.db2.gz PWRNWGNYBBABJK-NMVJMZGASA-N 2 1 420.601 3.711 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C[N@@H+]1Cc1ccccc1 ZINC000533119367 1007464721 /nfs/dbraw/zinc/46/47/21/1007464721.db2.gz PWRNWGNYBBABJK-NMVJMZGASA-N 2 1 420.601 3.711 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C[N@H+]1Cc1ccccc1 ZINC000533119367 1007464758 /nfs/dbraw/zinc/46/47/58/1007464758.db2.gz PWRNWGNYBBABJK-NMVJMZGASA-N 2 1 420.601 3.711 20 0 HHADMP Cc1sc2nc([C@H](C)N3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)nc(N)c2c1C ZINC000539197492 1007494625 /nfs/dbraw/zinc/49/46/25/1007494625.db2.gz JQBKGCANYMWUOQ-LZWOXQAQSA-N 2 1 417.623 3.773 20 0 HHADMP Cc1sc2nc([C@H](C)[NH+]3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)nc(N)c2c1C ZINC000539197492 1007494629 /nfs/dbraw/zinc/49/46/29/1007494629.db2.gz JQBKGCANYMWUOQ-LZWOXQAQSA-N 2 1 417.623 3.773 20 0 HHADMP Cc1sc2nc([C@H](C)[NH+]3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)nc(N)c2c1C ZINC000539197492 1007494634 /nfs/dbraw/zinc/49/46/34/1007494634.db2.gz JQBKGCANYMWUOQ-LZWOXQAQSA-N 2 1 417.623 3.773 20 0 HHADMP COc1cc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1Cl ZINC000535441536 1007503948 /nfs/dbraw/zinc/50/39/48/1007503948.db2.gz MLILONMYHXIZJR-UHFFFAOYSA-N 2 1 407.986 3.617 20 0 HHADMP Cc1[nH]nc2ncc(C[NH2+]CCc3ccc(OCC[N@@H+]4C[C@H](C)[C@H](C)C4)cc3)cc12 ZINC000539223361 1007516122 /nfs/dbraw/zinc/51/61/22/1007516122.db2.gz DKWPOYVLAVBSHD-HDICACEKSA-N 2 1 407.562 3.565 20 0 HHADMP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000533240794 1007561113 /nfs/dbraw/zinc/56/11/13/1007561113.db2.gz BCZITWSAWWVAMU-FQEVSTJZSA-N 2 1 407.558 3.725 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)o1 ZINC000535559513 1007593504 /nfs/dbraw/zinc/59/35/04/1007593504.db2.gz QNCKEXOWYMNQJA-SFTDATJTSA-N 2 1 418.969 3.760 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)o1 ZINC000535559513 1007593516 /nfs/dbraw/zinc/59/35/16/1007593516.db2.gz QNCKEXOWYMNQJA-SFTDATJTSA-N 2 1 418.969 3.760 20 0 HHADMP C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2)c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000539377103 1007682333 /nfs/dbraw/zinc/68/23/33/1007682333.db2.gz LAHZGGCVPVMQHA-HFMPRLQTSA-N 2 1 420.601 3.717 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1F ZINC000535673454 1007694002 /nfs/dbraw/zinc/69/40/02/1007694002.db2.gz ZAFXAWVWZQGOGR-DYESRHJHSA-N 2 1 418.582 3.831 20 0 HHADMP O=C(NC1CC1)[C@H](c1ccccc1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535674175 1007696302 /nfs/dbraw/zinc/69/63/02/1007696302.db2.gz CHVBCRXKSUIVFV-DEOSSOPVSA-N 2 1 403.570 3.994 20 0 HHADMP CN(Cc1ccc(F)cc1)C(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535678872 1007705284 /nfs/dbraw/zinc/70/52/84/1007705284.db2.gz DIOXSPXQFDEDRX-UHFFFAOYSA-N 2 1 409.549 3.772 20 0 HHADMP C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000533400933 1007712038 /nfs/dbraw/zinc/71/20/38/1007712038.db2.gz HCCGGXFOHGBXOO-HNNXBMFYSA-N 2 1 409.496 3.974 20 0 HHADMP C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000533400933 1007712046 /nfs/dbraw/zinc/71/20/46/1007712046.db2.gz HCCGGXFOHGBXOO-HNNXBMFYSA-N 2 1 409.496 3.974 20 0 HHADMP Cc1cccc(NC(=O)NC(=O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1C ZINC000533412096 1007719077 /nfs/dbraw/zinc/71/90/77/1007719077.db2.gz GDPHJUJHCAUJAN-UHFFFAOYSA-N 2 1 422.573 3.796 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCC1([NH+]2CCOC(C)(C)C2)CCCCC1 ZINC000517501633 1007724290 /nfs/dbraw/zinc/72/42/90/1007724290.db2.gz HRDDRQRWYBLTKL-NRFANRHFSA-N 2 1 422.658 3.754 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000517501633 1007724302 /nfs/dbraw/zinc/72/43/02/1007724302.db2.gz HRDDRQRWYBLTKL-NRFANRHFSA-N 2 1 422.658 3.754 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000517501633 1007724314 /nfs/dbraw/zinc/72/43/14/1007724314.db2.gz HRDDRQRWYBLTKL-NRFANRHFSA-N 2 1 422.658 3.754 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000535703629 1007742479 /nfs/dbraw/zinc/74/24/79/1007742479.db2.gz BREBEWORYHLGLC-UHFFFAOYSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000517542301 1007758845 /nfs/dbraw/zinc/75/88/45/1007758845.db2.gz OVSCAYMHELSDIT-BWKNWUBXSA-N 2 1 420.601 3.828 20 0 HHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3-c3ccccc3)C2)CC1 ZINC000533445569 1007760755 /nfs/dbraw/zinc/76/07/55/1007760755.db2.gz ODWMMCLSFJELMY-GGAORHGYSA-N 2 1 420.601 3.781 20 0 HHADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3-c3ccccc3)C2)CC1 ZINC000533445569 1007760759 /nfs/dbraw/zinc/76/07/59/1007760759.db2.gz ODWMMCLSFJELMY-GGAORHGYSA-N 2 1 420.601 3.781 20 0 HHADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3nc4cc(Cl)ccc4n3C)CC2)C[C@H](C)O1 ZINC000533481633 1007790321 /nfs/dbraw/zinc/79/03/21/1007790321.db2.gz KVKKOJXVNLMHSD-IRXDYDNUSA-N 2 1 404.986 3.938 20 0 HHADMP CCO[C@H]1C[C@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C12CCC2 ZINC000539496409 1007807664 /nfs/dbraw/zinc/80/76/64/1007807664.db2.gz MDZPWVGFJVYRAM-GOTSBHOMSA-N 2 1 402.579 3.614 20 0 HHADMP CC(C)Oc1ccc([C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[NH+](C)C)cc1 ZINC000517613012 1007817143 /nfs/dbraw/zinc/81/71/43/1007817143.db2.gz RBUVQXTYDFFTIR-OFNKIYASSA-N 2 1 401.595 3.847 20 0 HHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@H](c2ncccc2C)C(C)C)CC1 ZINC000533517668 1007837087 /nfs/dbraw/zinc/83/70/87/1007837087.db2.gz QHNMJHVWCJFITL-DEOSSOPVSA-N 2 1 408.590 3.720 20 0 HHADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000517636717 1007845879 /nfs/dbraw/zinc/84/58/79/1007845879.db2.gz FRDVLCNZOQILAV-QGZVFWFLSA-N 2 1 414.516 3.651 20 0 HHADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000517636717 1007845886 /nfs/dbraw/zinc/84/58/86/1007845886.db2.gz FRDVLCNZOQILAV-QGZVFWFLSA-N 2 1 414.516 3.651 20 0 HHADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000517636717 1007845893 /nfs/dbraw/zinc/84/58/93/1007845893.db2.gz FRDVLCNZOQILAV-QGZVFWFLSA-N 2 1 414.516 3.651 20 0 HHADMP C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000517652584 1007865226 /nfs/dbraw/zinc/86/52/26/1007865226.db2.gz JFFOVTDKADFXNP-ZDUSSCGKSA-N 2 1 409.317 3.546 20 0 HHADMP C[C@H]1C[C@@H](CCNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)C[NH+]1Cc1ccccc1 ZINC000533578673 1007881941 /nfs/dbraw/zinc/88/19/41/1007881941.db2.gz GVLCJEJTLNGUFM-RBBKRZOGSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@H]1C[C@@H](CCNC(=O)N2CCC[NH+](C(C)(C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000533578673 1007881948 /nfs/dbraw/zinc/88/19/48/1007881948.db2.gz GVLCJEJTLNGUFM-RBBKRZOGSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@H]1C[C@@H](CCNC(=O)N2CCC[NH+](C(C)(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000533578673 1007881961 /nfs/dbraw/zinc/88/19/61/1007881961.db2.gz GVLCJEJTLNGUFM-RBBKRZOGSA-N 2 1 400.611 3.803 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NC(C)(C)C[N@H+](C)Cc3ccccc3)CC2)cs1 ZINC000533601717 1007901962 /nfs/dbraw/zinc/90/19/62/1007901962.db2.gz SFPWRIJWYBLOTE-UHFFFAOYSA-N 2 1 414.619 3.690 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NC(C)(C)C[N@@H+](C)Cc3ccccc3)CC2)cs1 ZINC000533601717 1007901968 /nfs/dbraw/zinc/90/19/68/1007901968.db2.gz SFPWRIJWYBLOTE-UHFFFAOYSA-N 2 1 414.619 3.690 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539615478 1007930814 /nfs/dbraw/zinc/93/08/14/1007930814.db2.gz FUNGEHBLXXUMOQ-SFTDATJTSA-N 2 1 422.976 3.929 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539615478 1007930819 /nfs/dbraw/zinc/93/08/19/1007930819.db2.gz FUNGEHBLXXUMOQ-SFTDATJTSA-N 2 1 422.976 3.929 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000517731799 1007935502 /nfs/dbraw/zinc/93/55/02/1007935502.db2.gz VQDAWEYIWAWVJH-FPOVZHCZSA-N 2 1 410.562 3.721 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)cc2)C1 ZINC000535942093 1007973991 /nfs/dbraw/zinc/97/39/91/1007973991.db2.gz FTTBULVVPPTDIE-GBXCKJPGSA-N 2 1 412.622 3.792 20 0 HHADMP CCCC[N@H+](C)CC1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)CC1 ZINC000517803614 1007981291 /nfs/dbraw/zinc/98/12/91/1007981291.db2.gz JNAZYNJUYJVDKB-UHFFFAOYSA-N 2 1 415.557 3.973 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)CC1 ZINC000517803614 1007981300 /nfs/dbraw/zinc/98/13/00/1007981300.db2.gz JNAZYNJUYJVDKB-UHFFFAOYSA-N 2 1 415.557 3.973 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)Cc1ccccc1 ZINC000536015547 1008055683 /nfs/dbraw/zinc/05/56/83/1008055683.db2.gz WKKQHUXVTNVWEY-RUZDIDTESA-N 2 1 422.617 3.713 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000536047518 1008079920 /nfs/dbraw/zinc/07/99/20/1008079920.db2.gz JEKJEEROPHKUCO-ZFJSRUIDSA-N 2 1 406.574 3.868 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000536047518 1008079929 /nfs/dbraw/zinc/07/99/29/1008079929.db2.gz JEKJEEROPHKUCO-ZFJSRUIDSA-N 2 1 406.574 3.868 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC[NH+]1Cc1ccccc1 ZINC000536047518 1008079939 /nfs/dbraw/zinc/07/99/39/1008079939.db2.gz JEKJEEROPHKUCO-ZFJSRUIDSA-N 2 1 406.574 3.868 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC[NH+]1Cc1ccccc1 ZINC000536047518 1008079946 /nfs/dbraw/zinc/07/99/46/1008079946.db2.gz JEKJEEROPHKUCO-ZFJSRUIDSA-N 2 1 406.574 3.868 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000536047517 1008080052 /nfs/dbraw/zinc/08/00/52/1008080052.db2.gz JEKJEEROPHKUCO-WNOPAQSVSA-N 2 1 406.574 3.868 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000536047517 1008080059 /nfs/dbraw/zinc/08/00/59/1008080059.db2.gz JEKJEEROPHKUCO-WNOPAQSVSA-N 2 1 406.574 3.868 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC[NH+]1Cc1ccccc1 ZINC000536047517 1008080068 /nfs/dbraw/zinc/08/00/68/1008080068.db2.gz JEKJEEROPHKUCO-WNOPAQSVSA-N 2 1 406.574 3.868 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC[NH+]1Cc1ccccc1 ZINC000536047517 1008080079 /nfs/dbraw/zinc/08/00/79/1008080079.db2.gz JEKJEEROPHKUCO-WNOPAQSVSA-N 2 1 406.574 3.868 20 0 HHADMP COc1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)[NH+]2CCCCC2)cc1 ZINC000518016667 1008105669 /nfs/dbraw/zinc/10/56/69/1008105669.db2.gz OEKRJUQMMSRXAF-NFBKMPQASA-N 2 1 414.594 3.538 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000539810856 1008109032 /nfs/dbraw/zinc/10/90/32/1008109032.db2.gz GKURABPMEJEBAA-HBGVWJBISA-N 2 1 408.537 3.518 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000539810856 1008109039 /nfs/dbraw/zinc/10/90/39/1008109039.db2.gz GKURABPMEJEBAA-HBGVWJBISA-N 2 1 408.537 3.518 20 0 HHADMP CC(C)[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000539810856 1008109044 /nfs/dbraw/zinc/10/90/44/1008109044.db2.gz GKURABPMEJEBAA-HBGVWJBISA-N 2 1 408.537 3.518 20 0 HHADMP CC(C)[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000539810856 1008109051 /nfs/dbraw/zinc/10/90/51/1008109051.db2.gz GKURABPMEJEBAA-HBGVWJBISA-N 2 1 408.537 3.518 20 0 HHADMP COc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(-c2ccccc2)cc1OC ZINC000539824223 1008119370 /nfs/dbraw/zinc/11/93/70/1008119370.db2.gz DRGODZXMZJICOI-YKSBVNFPSA-N 2 1 423.601 3.829 20 0 HHADMP CCC[N@H+](Cc1cnn(CC(F)(F)F)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000539828693 1008122720 /nfs/dbraw/zinc/12/27/20/1008122720.db2.gz GMTBMKKMWGOAJE-UHFFFAOYSA-N 2 1 410.488 3.733 20 0 HHADMP CCC[N@@H+](Cc1cnn(CC(F)(F)F)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000539828693 1008122724 /nfs/dbraw/zinc/12/27/24/1008122724.db2.gz GMTBMKKMWGOAJE-UHFFFAOYSA-N 2 1 410.488 3.733 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000518064980 1008139947 /nfs/dbraw/zinc/13/99/47/1008139947.db2.gz SZDLKNYFTHCJII-ZFGGDYGUSA-N 2 1 412.622 3.934 20 0 HHADMP C[C@H](CNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000540017380 1008239714 /nfs/dbraw/zinc/23/97/14/1008239714.db2.gz YSLJYQXBZBQXSK-VQTJNVASSA-N 2 1 401.599 3.592 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[N@@H+](C)CCC3CCN(c4cc[nH+]cc4)CC3)c2cc1C ZINC000540046865 1008256149 /nfs/dbraw/zinc/25/61/49/1008256149.db2.gz GBPJYPGGNIDWLS-HSZRJFAPSA-N 2 1 421.589 3.648 20 0 HHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1)CC1CC1 ZINC000540047051 1008256608 /nfs/dbraw/zinc/25/66/08/1008256608.db2.gz MNERIMCBDPSHDR-UHFFFAOYSA-N 2 1 422.617 3.887 20 0 HHADMP CCC[N@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000518451161 1008312875 /nfs/dbraw/zinc/31/28/75/1008312875.db2.gz OOVIZUKMBTZEOX-NJDAHSKKSA-N 2 1 400.611 3.696 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)cc1 ZINC000540182043 1008325870 /nfs/dbraw/zinc/32/58/70/1008325870.db2.gz BDHSOIZXKFCVMF-WIYYLYMNSA-N 2 1 404.514 3.511 20 0 HHADMP CC[NH+](CC)CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000518751119 1008413567 /nfs/dbraw/zinc/41/35/67/1008413567.db2.gz GCMLNZIVNOZDLK-UHFFFAOYSA-N 2 1 401.382 3.599 20 0 HHADMP C[NH+]1CCC(CNC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000518750644 1008413587 /nfs/dbraw/zinc/41/35/87/1008413587.db2.gz XVFCVRDEKHLKDH-UHFFFAOYSA-N 2 1 413.393 3.599 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000518926740 1008475518 /nfs/dbraw/zinc/47/55/18/1008475518.db2.gz NTPCOSGKNUQBTE-VAMGGRTRSA-N 2 1 411.512 3.683 20 0 HHADMP C[C@H]1C[C@@H](N(C)C(=O)NCC2(C[NH+](C)C)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000545448725 1008561942 /nfs/dbraw/zinc/56/19/42/1008561942.db2.gz XTKTXWRUXPVVAK-UNMCSNQZSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000543070467 1008647326 /nfs/dbraw/zinc/64/73/26/1008647326.db2.gz ZUBADFMLOMWANV-NXMSCROESA-N 2 1 414.594 3.852 20 0 HHADMP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000543070468 1008647477 /nfs/dbraw/zinc/64/74/77/1008647477.db2.gz ZUBADFMLOMWANV-QZTZHPFYSA-N 2 1 414.594 3.852 20 0 HHADMP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000543078515 1008655996 /nfs/dbraw/zinc/65/59/96/1008655996.db2.gz WCOYORHWXATEJQ-YDHSSHFGSA-N 2 1 423.557 3.833 20 0 HHADMP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000543078515 1008656004 /nfs/dbraw/zinc/65/60/04/1008656004.db2.gz WCOYORHWXATEJQ-YDHSSHFGSA-N 2 1 423.557 3.833 20 0 HHADMP COc1ccc(C[C@H](C)C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1F ZINC000545593074 1008693290 /nfs/dbraw/zinc/69/32/90/1008693290.db2.gz GYINRRGNTSAKEX-PGRDOPGGSA-N 2 1 400.538 3.759 20 0 HHADMP CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c2ccccc21 ZINC000549142741 1008711294 /nfs/dbraw/zinc/71/12/94/1008711294.db2.gz NZXSLGLNOQQYPL-DQEYMECFSA-N 2 1 421.585 3.705 20 0 HHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCN1C(=O)c2ccccc2C1=O ZINC000549166661 1008739625 /nfs/dbraw/zinc/73/96/25/1008739625.db2.gz SSRZTDKVRXJGIH-QHCPKHFHSA-N 2 1 419.569 3.953 20 0 HHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCN1C(=O)c2ccccc2C1=O ZINC000549166661 1008739631 /nfs/dbraw/zinc/73/96/31/1008739631.db2.gz SSRZTDKVRXJGIH-QHCPKHFHSA-N 2 1 419.569 3.953 20 0 HHADMP C[NH+]1CCCC[C@H]1CC[NH+]1CCCC2(CCCN(CC[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC000519481708 1008854777 /nfs/dbraw/zinc/85/47/77/1008854777.db2.gz WRJPVZYMHCDOJZ-JWDFLIAJSA-N 3 1 404.687 3.913 20 0 HHADMP C[NH+]1CCCC[C@H]1CCN1CCCC2(CCC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000519481708 1008854793 /nfs/dbraw/zinc/85/47/93/1008854793.db2.gz WRJPVZYMHCDOJZ-JWDFLIAJSA-N 3 1 404.687 3.913 20 0 HHADMP C[NH+]1CCCC[C@H]1CCN1CCCC2(CCC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000519481708 1008854812 /nfs/dbraw/zinc/85/48/12/1008854812.db2.gz WRJPVZYMHCDOJZ-JWDFLIAJSA-N 3 1 404.687 3.913 20 0 HHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000519490461 1008862464 /nfs/dbraw/zinc/86/24/64/1008862464.db2.gz DSNCLPMGVBIEKW-PMACEKPBSA-N 2 1 406.640 3.914 20 0 HHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000519490461 1008862479 /nfs/dbraw/zinc/86/24/79/1008862479.db2.gz DSNCLPMGVBIEKW-PMACEKPBSA-N 2 1 406.640 3.914 20 0 HHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000519490461 1008862494 /nfs/dbraw/zinc/86/24/94/1008862494.db2.gz DSNCLPMGVBIEKW-PMACEKPBSA-N 2 1 406.640 3.914 20 0 HHADMP Cc1cc(NC(=O)CC[NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000549423309 1009012339 /nfs/dbraw/zinc/01/23/39/1009012339.db2.gz OYQQILHTCGIWEC-SQWHNCPASA-N 2 1 416.953 4.169 20 0 HHADMP Cc1cc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1Br ZINC000543458948 1009042930 /nfs/dbraw/zinc/04/29/30/1009042930.db2.gz LKDSESMVEAMZBW-HOTGVXAUSA-N 2 1 408.384 3.939 20 0 HHADMP Cc1cc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1Br ZINC000543458948 1009042948 /nfs/dbraw/zinc/04/29/48/1009042948.db2.gz LKDSESMVEAMZBW-HOTGVXAUSA-N 2 1 408.384 3.939 20 0 HHADMP Cc1cc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1Br ZINC000543458949 1009043740 /nfs/dbraw/zinc/04/37/40/1009043740.db2.gz LKDSESMVEAMZBW-HZPDHXFCSA-N 2 1 408.384 3.939 20 0 HHADMP Cc1cc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1Br ZINC000543458949 1009043753 /nfs/dbraw/zinc/04/37/53/1009043753.db2.gz LKDSESMVEAMZBW-HZPDHXFCSA-N 2 1 408.384 3.939 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)c1 ZINC000519935186 1009089987 /nfs/dbraw/zinc/08/99/87/1009089987.db2.gz OFFCTHAEUDSNRS-HSZRJFAPSA-N 2 1 424.589 3.783 20 0 HHADMP Cc1ccc(C(=O)CC(C)(C)CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000546091435 1009116026 /nfs/dbraw/zinc/11/60/26/1009116026.db2.gz RQESFQHBEPSBFK-UHFFFAOYSA-N 2 1 408.546 3.770 20 0 HHADMP Cc1[nH+]ccn1CCCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cccc(C)c1 ZINC000549531967 1009143884 /nfs/dbraw/zinc/14/38/84/1009143884.db2.gz LXXDJEBGOIGLMM-RPBOFIJWSA-N 2 1 416.569 3.922 20 0 HHADMP Cc1[nH+]ccn1CCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cccc(C)c1 ZINC000549531967 1009143887 /nfs/dbraw/zinc/14/38/87/1009143887.db2.gz LXXDJEBGOIGLMM-RPBOFIJWSA-N 2 1 416.569 3.922 20 0 HHADMP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000520149567 1009300490 /nfs/dbraw/zinc/30/04/90/1009300490.db2.gz KZBVKZPCFMXTLB-VWLOTQADSA-N 2 1 418.585 3.822 20 0 HHADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(-c2cnn(C)c2)c1 ZINC000520198513 1009337488 /nfs/dbraw/zinc/33/74/88/1009337488.db2.gz NEMBCUQQLZCPSC-XMMPIXPASA-N 2 1 404.558 3.642 20 0 HHADMP O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000520264670 1009381235 /nfs/dbraw/zinc/38/12/35/1009381235.db2.gz WVMABWWYZBLDSV-HSZRJFAPSA-N 2 1 412.622 3.505 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)[NH+]2CCCC2)cc1 ZINC000520299836 1009425038 /nfs/dbraw/zinc/42/50/38/1009425038.db2.gz WUAPGXQDCGXHQA-HSZRJFAPSA-N 2 1 400.611 3.894 20 0 HHADMP CCO[C@@H]1C[C@H]([NH+](C)CC2(C[N@H+](C)[C@H]3C[C@@H](OCC)C34CCC4)COC2)C12CCC2 ZINC000543859940 1009425923 /nfs/dbraw/zinc/42/59/23/1009425923.db2.gz KURIAZDCAZAZHE-FNAHDJPLSA-N 2 1 420.638 3.562 20 0 HHADMP Cc1ccc([C@H](OC[C@@H](O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c2ccccc2)cc1 ZINC000549839860 1009453588 /nfs/dbraw/zinc/45/35/88/1009453588.db2.gz ALWSAEWCOVFYQA-NXCFDTQHSA-N 2 1 408.586 3.880 20 0 HHADMP Cc1ccc([C@H](OC[C@@H](O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c2ccccc2)cc1 ZINC000549839860 1009453607 /nfs/dbraw/zinc/45/36/07/1009453607.db2.gz ALWSAEWCOVFYQA-NXCFDTQHSA-N 2 1 408.586 3.880 20 0 HHADMP Cc1ccc([C@H](OC[C@@H](O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c2ccccc2)cc1 ZINC000549839860 1009453618 /nfs/dbraw/zinc/45/36/18/1009453618.db2.gz ALWSAEWCOVFYQA-NXCFDTQHSA-N 2 1 408.586 3.880 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000543883989 1009459999 /nfs/dbraw/zinc/45/99/99/1009459999.db2.gz JCROCVVERCUPQB-UHFFFAOYSA-N 2 1 413.610 3.620 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)cc1F ZINC000520390894 1009527901 /nfs/dbraw/zinc/52/79/01/1009527901.db2.gz JYWBNAYHPOGYGS-KRWDZBQOSA-N 2 1 409.509 3.640 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1F ZINC000520390894 1009527916 /nfs/dbraw/zinc/52/79/16/1009527916.db2.gz JYWBNAYHPOGYGS-KRWDZBQOSA-N 2 1 409.509 3.640 20 0 HHADMP Cc1csc(C2([NH2+][C@@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CCC2)n1 ZINC000546592990 1009619174 /nfs/dbraw/zinc/61/91/74/1009619174.db2.gz PUOPNAMNXQUTCO-SFHVURJKSA-N 2 1 412.603 3.590 20 0 HHADMP CC[NH+](CC)C[C@@H](C)NC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000520545867 1009631912 /nfs/dbraw/zinc/63/19/12/1009631912.db2.gz BNZFDWPBQJHSJL-MRXNPFEDSA-N 2 1 414.516 3.699 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000546619494 1009632540 /nfs/dbraw/zinc/63/25/40/1009632540.db2.gz WVGMEXNPRCAGIO-FGTMMUONSA-N 2 1 407.986 3.561 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000546718730 1009698942 /nfs/dbraw/zinc/69/89/42/1009698942.db2.gz RQAUKLGVGCTCOT-QHCPKHFHSA-N 2 1 408.590 3.879 20 0 HHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)CCCC(=O)OC(C)(C)C)CC2)c1C ZINC000544128188 1009737665 /nfs/dbraw/zinc/73/76/65/1009737665.db2.gz VAICGUYKSIUHIX-UHFFFAOYSA-N 2 1 405.583 3.725 20 0 HHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)CCCC(=O)OC(C)(C)C)CC2)c1C ZINC000544128188 1009737672 /nfs/dbraw/zinc/73/76/72/1009737672.db2.gz VAICGUYKSIUHIX-UHFFFAOYSA-N 2 1 405.583 3.725 20 0 HHADMP Cc1cccc([C@@H]2CC[N@H+]([C@@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000544189722 1009792715 /nfs/dbraw/zinc/79/27/15/1009792715.db2.gz JKRJULNKWFJHAK-XUZZJYLKSA-N 2 1 405.586 3.954 20 0 HHADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000520733351 1009801776 /nfs/dbraw/zinc/80/17/76/1009801776.db2.gz AQXPSTIFUNQRCA-NQIIRXRSSA-N 2 1 409.496 3.574 20 0 HHADMP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000520733351 1009801791 /nfs/dbraw/zinc/80/17/91/1009801791.db2.gz AQXPSTIFUNQRCA-NQIIRXRSSA-N 2 1 409.496 3.574 20 0 HHADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000520733351 1009801807 /nfs/dbraw/zinc/80/18/07/1009801807.db2.gz AQXPSTIFUNQRCA-NQIIRXRSSA-N 2 1 409.496 3.574 20 0 HHADMP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000520764671 1009834207 /nfs/dbraw/zinc/83/42/07/1009834207.db2.gz ZJUDDNFNTBCQPJ-IBGZPJMESA-N 2 1 424.564 3.536 20 0 HHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000544348679 1009974098 /nfs/dbraw/zinc/97/40/98/1009974098.db2.gz RWXIINMRZYXVEM-IBGZPJMESA-N 2 1 401.308 3.504 20 0 HHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000544348679 1009974104 /nfs/dbraw/zinc/97/41/04/1009974104.db2.gz RWXIINMRZYXVEM-IBGZPJMESA-N 2 1 401.308 3.504 20 0 HHADMP Cc1cc([C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c2cccnc2)ccc1F ZINC000544386020 1010007936 /nfs/dbraw/zinc/00/79/36/1010007936.db2.gz LVUBEBRSKORUPY-NOZRDPDXSA-N 2 1 405.517 3.975 20 0 HHADMP Cc1cc([C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2cccnc2)ccc1F ZINC000544386020 1010007952 /nfs/dbraw/zinc/00/79/52/1010007952.db2.gz LVUBEBRSKORUPY-NOZRDPDXSA-N 2 1 405.517 3.975 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccco1 ZINC000520993926 1010033238 /nfs/dbraw/zinc/03/32/38/1010033238.db2.gz DEFUJASJVDLRKI-PZJWPPBQSA-N 2 1 401.526 3.830 20 0 HHADMP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000521068665 1010085563 /nfs/dbraw/zinc/08/55/63/1010085563.db2.gz DXTMVNXVLHNHJE-UHFFFAOYSA-N 2 1 410.553 3.693 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)CC1 ZINC000521092144 1010109474 /nfs/dbraw/zinc/10/94/74/1010109474.db2.gz KCUVIAYQZNREDP-HUUCEWRRSA-N 2 1 405.329 3.882 20 0 HHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000550785194 1010174475 /nfs/dbraw/zinc/17/44/75/1010174475.db2.gz PPLSFDUXZZWWMU-RDJZCZTQSA-N 2 1 407.377 3.854 20 0 HHADMP COC(=O)CCCN1CCC([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000547325950 1010253417 /nfs/dbraw/zinc/25/34/17/1010253417.db2.gz KHOKHACHCNVAQN-FQEVSTJZSA-N 2 1 401.595 3.568 20 0 HHADMP CN(CCC[NH+](C)C)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000544657520 1010279162 /nfs/dbraw/zinc/27/91/62/1010279162.db2.gz UPUSEWZMXUGCIL-UHFFFAOYSA-N 2 1 401.382 3.551 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547505271 1010331688 /nfs/dbraw/zinc/33/16/88/1010331688.db2.gz LNMLWCNHTLXHQR-OOICKAIWSA-N 2 1 408.590 3.695 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)CC1 ZINC000547538275 1010344172 /nfs/dbraw/zinc/34/41/72/1010344172.db2.gz COOICXDVSXBBPG-HSZRJFAPSA-N 2 1 400.611 3.659 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000547538275 1010344182 /nfs/dbraw/zinc/34/41/82/1010344182.db2.gz COOICXDVSXBBPG-HSZRJFAPSA-N 2 1 400.611 3.659 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000547538275 1010344196 /nfs/dbraw/zinc/34/41/96/1010344196.db2.gz COOICXDVSXBBPG-HSZRJFAPSA-N 2 1 400.611 3.659 20 0 HHADMP O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000521533582 1010444453 /nfs/dbraw/zinc/44/44/53/1010444453.db2.gz JZBFZHTWOANRDD-QHCPKHFHSA-N 2 1 423.576 3.861 20 0 HHADMP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000544897931 1010474040 /nfs/dbraw/zinc/47/40/40/1010474040.db2.gz ILRFUGOGKNIIQS-LJQANCHMSA-N 2 1 407.624 3.634 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000521687389 1010551965 /nfs/dbraw/zinc/55/19/65/1010551965.db2.gz PIXZXEPFBAJRMQ-GOSISDBHSA-N 2 1 410.553 3.693 20 0 HHADMP C[N@H+]1CCN(CCC[NH2+]Cc2cc(Br)cs2)[C@H](c2ccccc2)C1 ZINC000521819401 1010639754 /nfs/dbraw/zinc/63/97/54/1010639754.db2.gz DOMQQPXDDOATMP-IBGZPJMESA-N 2 1 408.409 3.979 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548487169 1010643344 /nfs/dbraw/zinc/64/33/44/1010643344.db2.gz BBYHXRGQHIOTBL-NZJKTDFXSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC[C@H]1CO)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548487169 1010643349 /nfs/dbraw/zinc/64/33/49/1010643349.db2.gz BBYHXRGQHIOTBL-NZJKTDFXSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC[C@H]1CO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548487169 1010643354 /nfs/dbraw/zinc/64/33/54/1010643354.db2.gz BBYHXRGQHIOTBL-NZJKTDFXSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548487169 1010643361 /nfs/dbraw/zinc/64/33/61/1010643361.db2.gz BBYHXRGQHIOTBL-NZJKTDFXSA-N 2 1 407.602 3.644 20 0 HHADMP C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548487169 1010643369 /nfs/dbraw/zinc/64/33/69/1010643369.db2.gz BBYHXRGQHIOTBL-NZJKTDFXSA-N 2 1 407.602 3.644 20 0 HHADMP C[C@H](NCc1ccccc1C[NH+]1CCC[C@H]1CO)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548487169 1010643375 /nfs/dbraw/zinc/64/33/75/1010643375.db2.gz BBYHXRGQHIOTBL-NZJKTDFXSA-N 2 1 407.602 3.644 20 0 HHADMP C[C@H](NCc1ccccc1C[NH+]1CCC[C@H]1CO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548487169 1010643385 /nfs/dbraw/zinc/64/33/85/1010643385.db2.gz BBYHXRGQHIOTBL-NZJKTDFXSA-N 2 1 407.602 3.644 20 0 HHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000521959590 1010737737 /nfs/dbraw/zinc/73/77/37/1010737737.db2.gz JPCAAXBMRYIMCG-HXUWFJFHSA-N 2 1 401.599 3.605 20 0 HHADMP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000545387620 1010768123 /nfs/dbraw/zinc/76/81/23/1010768123.db2.gz ZKXOZWMGFJKNMT-UZLBHIALSA-N 2 1 420.479 3.979 20 0 HHADMP C[C@H](c1ccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1)[NH+]1CCOCC1 ZINC000522776480 1011211326 /nfs/dbraw/zinc/21/13/26/1011211326.db2.gz IBEVWLWZBPVXEV-LJQANCHMSA-N 2 1 400.567 3.562 20 0 HHADMP COc1ccc([C@@H]([NH2+]CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C2CC2)cc1 ZINC000540589276 1011244433 /nfs/dbraw/zinc/24/44/33/1011244433.db2.gz UKZWCWHEAKABBD-CLOONOSVSA-N 2 1 407.558 3.641 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000536162101 1011290551 /nfs/dbraw/zinc/29/05/51/1011290551.db2.gz ZLMNBKFOHHRCAU-CTUHWIOQSA-N 2 1 406.574 3.957 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000536162105 1011290878 /nfs/dbraw/zinc/29/08/78/1011290878.db2.gz ZLMNBKFOHHRCAU-VEXUSMLFSA-N 2 1 406.574 3.957 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000522852084 1011291526 /nfs/dbraw/zinc/29/15/26/1011291526.db2.gz BKJPMSWWNPFIEG-OAQYLSRUSA-N 2 1 400.526 3.542 20 0 HHADMP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000522876194 1011318773 /nfs/dbraw/zinc/31/87/73/1011318773.db2.gz ZQXBTQOOYZCJOI-LJQANCHMSA-N 2 1 419.573 3.763 20 0 HHADMP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000522876194 1011318788 /nfs/dbraw/zinc/31/87/88/1011318788.db2.gz ZQXBTQOOYZCJOI-LJQANCHMSA-N 2 1 419.573 3.763 20 0 HHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000522886793 1011333020 /nfs/dbraw/zinc/33/30/20/1011333020.db2.gz LZLDOEJOESXYPM-HSZRJFAPSA-N 2 1 400.611 3.601 20 0 HHADMP COc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)[NH+]2CCCC2)cc1 ZINC000536204433 1011349171 /nfs/dbraw/zinc/34/91/71/1011349171.db2.gz PTKDWHNELLROKK-HJOGWXRNSA-N 2 1 422.573 3.577 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540718827 1011369778 /nfs/dbraw/zinc/36/97/78/1011369778.db2.gz NSIBXGQHYGIFBB-BGRCLHOASA-N 2 1 410.965 3.785 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540718827 1011369784 /nfs/dbraw/zinc/36/97/84/1011369784.db2.gz NSIBXGQHYGIFBB-BGRCLHOASA-N 2 1 410.965 3.785 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540718827 1011369798 /nfs/dbraw/zinc/36/97/98/1011369798.db2.gz NSIBXGQHYGIFBB-BGRCLHOASA-N 2 1 410.965 3.785 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540718827 1011369803 /nfs/dbraw/zinc/36/98/03/1011369803.db2.gz NSIBXGQHYGIFBB-BGRCLHOASA-N 2 1 410.965 3.785 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)c1ccccc1 ZINC000523132271 1011600825 /nfs/dbraw/zinc/60/08/25/1011600825.db2.gz WTFOIISUHXWVBB-XMMPIXPASA-N 2 1 408.590 3.639 20 0 HHADMP COc1cc(Br)ccc1C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000540979788 1011613149 /nfs/dbraw/zinc/61/31/49/1011613149.db2.gz MTEZLKQAOQUNRF-KRWDZBQOSA-N 2 1 424.408 3.598 20 0 HHADMP C[NH+](C)CC1CCC(NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000536520888 1011712182 /nfs/dbraw/zinc/71/21/82/1011712182.db2.gz NKJPKHWBZJIOPZ-UHFFFAOYSA-N 2 1 412.622 3.805 20 0 HHADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000536584184 1011746631 /nfs/dbraw/zinc/74/66/31/1011746631.db2.gz MJZSYOZXRMGVEQ-HSZRJFAPSA-N 2 1 407.562 3.516 20 0 HHADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000536584184 1011746639 /nfs/dbraw/zinc/74/66/39/1011746639.db2.gz MJZSYOZXRMGVEQ-HSZRJFAPSA-N 2 1 407.562 3.516 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000536593944 1011756781 /nfs/dbraw/zinc/75/67/81/1011756781.db2.gz URZYSUHEJUVBAL-NRFANRHFSA-N 2 1 415.626 3.842 20 0 HHADMP CCOCc1cc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1OC ZINC000536663809 1011814719 /nfs/dbraw/zinc/81/47/19/1011814719.db2.gz WSIKFPZBJXSFDR-BGYRXZFFSA-N 2 1 404.595 3.943 20 0 HHADMP CC[C@@H](C)CN(C)c1ccc(F)cc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000536711493 1011883369 /nfs/dbraw/zinc/88/33/69/1011883369.db2.gz ZYBRHPGWOIGQQC-NFBKMPQASA-N 2 1 404.618 3.908 20 0 HHADMP CCOC(=O)c1c(NC(=O)Cn2c[nH+]c(C)c2C)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000536736566 1011916392 /nfs/dbraw/zinc/91/63/92/1011916392.db2.gz RYZZQHAWIMTDGB-UHFFFAOYSA-N 2 1 418.563 3.536 20 0 HHADMP CC[N@H+](CCC1CC[NH+]([C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)CC1)CC1CC1 ZINC000536737728 1011917923 /nfs/dbraw/zinc/91/79/23/1011917923.db2.gz SIJVPWGLKDYQDZ-SFHVURJKSA-N 2 1 423.609 3.514 20 0 HHADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)CC1)CC1CC1 ZINC000536737728 1011917932 /nfs/dbraw/zinc/91/79/32/1011917932.db2.gz SIJVPWGLKDYQDZ-SFHVURJKSA-N 2 1 423.609 3.514 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000523433283 1011922841 /nfs/dbraw/zinc/92/28/41/1011922841.db2.gz LLBGSWHOOWGLDE-NUYKZFOBSA-N 2 1 410.606 3.842 20 0 HHADMP O=C(CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)Nc1ccc(Br)cc1F ZINC000523450198 1011949452 /nfs/dbraw/zinc/94/94/52/1011949452.db2.gz LUJWZKFLCREMEX-INIZCTEOSA-N 2 1 412.347 3.867 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000536762186 1011959347 /nfs/dbraw/zinc/95/93/47/1011959347.db2.gz KOOKPSLPNLZPCH-REWPJTCUSA-N 2 1 421.589 3.650 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000536835139 1012066164 /nfs/dbraw/zinc/06/61/64/1012066164.db2.gz VZPWTNMSGRUYRR-NHCUHLMSSA-N 2 1 421.651 3.880 20 0 HHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]C4CCN(c5cccnn5)CC4)[C@H]3C2)cc1 ZINC000552057390 1012074146 /nfs/dbraw/zinc/07/41/46/1012074146.db2.gz RQCAQRCPTFALRR-XWGVYQGASA-N 2 1 405.590 3.726 20 0 HHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]C4CCN(c5cccnn5)CC4)[C@@H]3C2)cc1 ZINC000552057388 1012075288 /nfs/dbraw/zinc/07/52/88/1012075288.db2.gz RQCAQRCPTFALRR-QPTUXGOLSA-N 2 1 405.590 3.726 20 0 HHADMP O=S1(=O)CCc2cc(C[NH2+][C@@H]3CCCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)ccc21 ZINC000552062815 1012080970 /nfs/dbraw/zinc/08/09/70/1012080970.db2.gz HGDOXANROSYWSO-TZRRMPRUSA-N 2 1 424.610 3.797 20 0 HHADMP O=S1(=O)CCc2cc(C[NH2+][C@@H]3CCCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)ccc21 ZINC000552062814 1012081479 /nfs/dbraw/zinc/08/14/79/1012081479.db2.gz HGDOXANROSYWSO-RBZQAINGSA-N 2 1 424.610 3.797 20 0 HHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1I ZINC000536855972 1012087905 /nfs/dbraw/zinc/08/79/05/1012087905.db2.gz DAAWMXWAPNAVGM-OWCLPIDISA-N 2 1 416.347 3.831 20 0 HHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)C1 ZINC000536875613 1012117364 /nfs/dbraw/zinc/11/73/64/1012117364.db2.gz IMYNRZQOJLYEJN-DENIHFKCSA-N 2 1 419.635 3.604 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCC2(F)F)C1 ZINC000552114231 1012131271 /nfs/dbraw/zinc/13/12/71/1012131271.db2.gz BBNIOUCCWZKDST-LEWJYISDSA-N 2 1 407.549 3.628 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000552114231 1012131286 /nfs/dbraw/zinc/13/12/86/1012131286.db2.gz BBNIOUCCWZKDST-LEWJYISDSA-N 2 1 407.549 3.628 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000552114231 1012131293 /nfs/dbraw/zinc/13/12/93/1012131293.db2.gz BBNIOUCCWZKDST-LEWJYISDSA-N 2 1 407.549 3.628 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCC2(F)F)C1 ZINC000552114234 1012131880 /nfs/dbraw/zinc/13/18/80/1012131880.db2.gz BBNIOUCCWZKDST-SFTDATJTSA-N 2 1 407.549 3.628 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000552114234 1012131890 /nfs/dbraw/zinc/13/18/90/1012131890.db2.gz BBNIOUCCWZKDST-SFTDATJTSA-N 2 1 407.549 3.628 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000552114234 1012131900 /nfs/dbraw/zinc/13/19/00/1012131900.db2.gz BBNIOUCCWZKDST-SFTDATJTSA-N 2 1 407.549 3.628 20 0 HHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000541434350 1012188516 /nfs/dbraw/zinc/18/85/16/1012188516.db2.gz SDQZJDMGMBHLIY-QHCPKHFHSA-N 2 1 421.585 3.549 20 0 HHADMP CC[NH+](CC)CCNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000541444073 1012200830 /nfs/dbraw/zinc/20/08/30/1012200830.db2.gz VZMHZKLROONMSZ-UHFFFAOYSA-N 2 1 401.382 3.599 20 0 HHADMP Cc1ccc([C@H](CNC(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)[NH+]2CCCC2)o1 ZINC000523645258 1012237002 /nfs/dbraw/zinc/23/70/02/1012237002.db2.gz MCZMPTRNYFCAAG-LPHOPBHVSA-N 2 1 416.591 3.532 20 0 HHADMP Cc1ccc([C@H](CNC(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)[NH+]2CCCC2)o1 ZINC000523645258 1012237019 /nfs/dbraw/zinc/23/70/19/1012237019.db2.gz MCZMPTRNYFCAAG-LPHOPBHVSA-N 2 1 416.591 3.532 20 0 HHADMP CC(C)[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000536951509 1012250694 /nfs/dbraw/zinc/25/06/94/1012250694.db2.gz QWBZJTVASQFUCX-WIYYLYMNSA-N 2 1 414.575 3.870 20 0 HHADMP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000523667689 1012264341 /nfs/dbraw/zinc/26/43/41/1012264341.db2.gz SSPUFHUGLIRWDT-DEOSSOPVSA-N 2 1 406.574 3.596 20 0 HHADMP CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000552275018 1012289490 /nfs/dbraw/zinc/28/94/90/1012289490.db2.gz IOXGASYFLDWACK-LHGONGGSSA-N 2 1 404.620 3.623 20 0 HHADMP CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000552275018 1012289501 /nfs/dbraw/zinc/28/95/01/1012289501.db2.gz IOXGASYFLDWACK-LHGONGGSSA-N 2 1 404.620 3.623 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CC[C@@H](c5nc(C6CC6)no5)O4)[C@H]3C2)cc1 ZINC000552297624 1012308831 /nfs/dbraw/zinc/30/88/31/1012308831.db2.gz CKFFARKKXPNTCO-WIYBCGNWSA-N 2 1 408.546 3.667 20 0 HHADMP CN1CC[NH+](CCCCNC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000552352301 1012361614 /nfs/dbraw/zinc/36/16/14/1012361614.db2.gz UBZZCRUYTIKQSF-UHFFFAOYSA-N 2 1 415.626 3.600 20 0 HHADMP C[N@H+](Cc1ccccc1NC(=O)NCCCCN1CC[NH+](C)CC1)C1CCCCC1 ZINC000552352301 1012361628 /nfs/dbraw/zinc/36/16/28/1012361628.db2.gz UBZZCRUYTIKQSF-UHFFFAOYSA-N 2 1 415.626 3.600 20 0 HHADMP C[N@@H+](Cc1ccccc1NC(=O)NCCCCN1CC[NH+](C)CC1)C1CCCCC1 ZINC000552352301 1012361636 /nfs/dbraw/zinc/36/16/36/1012361636.db2.gz UBZZCRUYTIKQSF-UHFFFAOYSA-N 2 1 415.626 3.600 20 0 HHADMP CC1(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000541574566 1012363782 /nfs/dbraw/zinc/36/37/82/1012363782.db2.gz CHILCMPBLQQPJD-RUZDIDTESA-N 2 1 419.613 3.970 20 0 HHADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000541578530 1012369015 /nfs/dbraw/zinc/36/90/15/1012369015.db2.gz RHHZWLBHSPAWBE-NHCUHLMSSA-N 2 1 402.966 3.842 20 0 HHADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000541578530 1012369033 /nfs/dbraw/zinc/36/90/33/1012369033.db2.gz RHHZWLBHSPAWBE-NHCUHLMSSA-N 2 1 402.966 3.842 20 0 HHADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000541578530 1012369046 /nfs/dbraw/zinc/36/90/46/1012369046.db2.gz RHHZWLBHSPAWBE-NHCUHLMSSA-N 2 1 402.966 3.842 20 0 HHADMP CC[C@H]([NH2+][C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C)cc1 ZINC000537057631 1012389591 /nfs/dbraw/zinc/38/95/91/1012389591.db2.gz KXKWLHLEYFRNIE-RDPSFJRHSA-N 2 1 409.574 3.573 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1F ZINC000552404953 1012418597 /nfs/dbraw/zinc/41/85/97/1012418597.db2.gz SBWHTBCUKAJLIV-HXUWFJFHSA-N 2 1 419.491 3.661 20 0 HHADMP CC(C)c1ccc(-c2noc(C[NH+]3CCC(C)(C[NH+]4CCN(C)CC4)CC3)n2)cc1 ZINC000541664617 1012494391 /nfs/dbraw/zinc/49/43/91/1012494391.db2.gz AOBVFGXPTZUZLH-UHFFFAOYSA-N 2 1 411.594 3.710 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000523866578 1012563649 /nfs/dbraw/zinc/56/36/49/1012563649.db2.gz QXAFRYIQENXDFH-NRFANRHFSA-N 2 1 420.601 3.960 20 0 HHADMP CCOC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000537168073 1012571276 /nfs/dbraw/zinc/57/12/76/1012571276.db2.gz UQQIVYLSWANPOZ-INIZCTEOSA-N 2 1 406.486 3.647 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1F ZINC000523904448 1012617951 /nfs/dbraw/zinc/61/79/51/1012617951.db2.gz VFDYVVSHYMSJNP-LAUBAEHRSA-N 2 1 421.520 3.955 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1F ZINC000523904448 1012617965 /nfs/dbraw/zinc/61/79/65/1012617965.db2.gz VFDYVVSHYMSJNP-LAUBAEHRSA-N 2 1 421.520 3.955 20 0 HHADMP C[N@@H+]1CC=C(CNC(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000537270855 1012724212 /nfs/dbraw/zinc/72/42/12/1012724212.db2.gz QIIUHSBWBNRUDT-UHFFFAOYSA-N 2 1 406.574 3.640 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000541915051 1012772743 /nfs/dbraw/zinc/77/27/43/1012772743.db2.gz WDWZPEPKNKLPSQ-UWJYYQICSA-N 2 1 407.558 3.724 20 0 HHADMP CC[C@@H](C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000552780866 1012785168 /nfs/dbraw/zinc/78/51/68/1012785168.db2.gz UPPGTZIXMZNNNV-DEOSSOPVSA-N 2 1 409.574 3.686 20 0 HHADMP C[NH+]1CCC(Oc2ccc(CNC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000552782617 1012787972 /nfs/dbraw/zinc/78/79/72/1012787972.db2.gz WPPSHPZBCQFHJC-HSZRJFAPSA-N 2 1 421.585 3.688 20 0 HHADMP CCc1ccc(CN(C)C(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000552786175 1012791698 /nfs/dbraw/zinc/79/16/98/1012791698.db2.gz QJTHNYAJBSWPHG-UHFFFAOYSA-N 2 1 408.590 3.841 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(SC(F)(F)F)nc1 ZINC001670852593 1071785713 /nfs/dbraw/zinc/78/57/13/1071785713.db2.gz NLGMAOJVKJHFQL-OAHLLOKOSA-N 2 1 419.517 3.573 20 0 HHADMP COc1ccc2c(c1)C[C@H]([N@H+]1CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C1)C2 ZINC001168271197 1072021835 /nfs/dbraw/zinc/02/18/35/1072021835.db2.gz GMDHWWUUQGIMDC-DGWZTRNLSA-N 2 1 410.602 3.623 20 0 HHADMP COc1ccc2c(c1)C[C@H]([NH+]1CC[C@]3(C1)C[N@H+](CC1CC1)C[C@@H]3COCC1CC1)C2 ZINC001168271197 1072021841 /nfs/dbraw/zinc/02/18/41/1072021841.db2.gz GMDHWWUUQGIMDC-DGWZTRNLSA-N 2 1 410.602 3.623 20 0 HHADMP COc1ccc2c(c1)C[C@H]([NH+]1CC[C@]3(C1)C[N@@H+](CC1CC1)C[C@@H]3COCC1CC1)C2 ZINC001168271197 1072021852 /nfs/dbraw/zinc/02/18/52/1072021852.db2.gz GMDHWWUUQGIMDC-DGWZTRNLSA-N 2 1 410.602 3.623 20 0 HHADMP COc1ccc(C[C@](C)(O)C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1OC ZINC000570252248 1072211723 /nfs/dbraw/zinc/21/17/23/1072211723.db2.gz YHIXURGALVITLR-LNEBKTTKSA-N 2 1 424.585 3.783 20 0 HHADMP Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168318884 1072497207 /nfs/dbraw/zinc/49/72/07/1072497207.db2.gz HQIHEBHEMXKGEU-BAWHURIHSA-N 2 1 406.574 3.799 20 0 HHADMP Cc1cccc(COC[C@@]23CCCO[C@H]2CC[N@H+](C2CCC([NH+](C)C)CC2)C3)n1 ZINC001168323444 1072504331 /nfs/dbraw/zinc/50/43/31/1072504331.db2.gz ZMZZMGOOKIZCNK-MXXWWZHRSA-N 2 1 401.595 3.651 20 0 HHADMP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](C1CCC(c3ccc(Cl)cc3)CC1)CCC2 ZINC001168343424 1072523808 /nfs/dbraw/zinc/52/38/08/1072523808.db2.gz TYTVXVICGUQONU-UHFFFAOYSA-N 2 1 414.981 3.890 20 0 HHADMP COc1cccc([C@@H]2CC(=O)N(C[N@@H+](C)CCC3CCN(c4cc[nH+]cc4)CC3)C2)c1 ZINC000760537865 1072562484 /nfs/dbraw/zinc/56/24/84/1072562484.db2.gz KFZCPDKCKQNZBH-JOCHJYFZSA-N 2 1 422.573 3.602 20 0 HHADMP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000571328347 1072603889 /nfs/dbraw/zinc/60/38/89/1072603889.db2.gz LHSRQWAKACXPOP-RHSMWYFYSA-N 2 1 409.596 3.579 20 0 HHADMP Fc1cccc(N2CCOC[C@]3(CCC[N@H+](C4CC[NH+](CC5CC5)CC4)C3)C2)c1 ZINC001168379276 1072657042 /nfs/dbraw/zinc/65/70/42/1072657042.db2.gz GJFDETPREUBODW-DEOSSOPVSA-N 2 1 401.570 3.619 20 0 HHADMP c1cncc(-c2ccc3nc(C4CC[NH+](C5CC[NH+](CC6CC6)CC5)CC4)nn3c2)c1 ZINC001168379381 1072664039 /nfs/dbraw/zinc/66/40/39/1072664039.db2.gz JFEQXJKNTDUPDS-UHFFFAOYSA-N 2 1 416.573 3.845 20 0 HHADMP O=C([C@@H](c1ccccc1)[NH+]1CCSCC1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000588009767 1072752044 /nfs/dbraw/zinc/75/20/44/1072752044.db2.gz OQJVJBBSXMUHPT-HSZRJFAPSA-N 2 1 415.647 3.891 20 0 HHADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCC(CC[NH+]3CCCC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000479409556 1072831371 /nfs/dbraw/zinc/83/13/71/1072831371.db2.gz FTBWPSYGCXANHZ-PCCBWWKXSA-N 2 1 422.658 3.560 20 0 HHADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCC(CC[NH+]3CCCC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000479409556 1072831386 /nfs/dbraw/zinc/83/13/86/1072831386.db2.gz FTBWPSYGCXANHZ-PCCBWWKXSA-N 2 1 422.658 3.560 20 0 HHADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000479409556 1072831398 /nfs/dbraw/zinc/83/13/98/1072831398.db2.gz FTBWPSYGCXANHZ-PCCBWWKXSA-N 2 1 422.658 3.560 20 0 HHADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000479409556 1072831408 /nfs/dbraw/zinc/83/14/08/1072831408.db2.gz FTBWPSYGCXANHZ-PCCBWWKXSA-N 2 1 422.658 3.560 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1nccn1-c1ccccc1 ZINC000554902872 1072938344 /nfs/dbraw/zinc/93/83/44/1072938344.db2.gz XNXSQOBHQONAFL-UHFFFAOYSA-N 2 1 424.593 3.532 20 0 HHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000588770602 1073202182 /nfs/dbraw/zinc/20/21/82/1073202182.db2.gz UPOMRSPTXMRWCI-JOCHJYFZSA-N 2 1 415.626 3.913 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000555318701 1073330907 /nfs/dbraw/zinc/33/09/07/1073330907.db2.gz IBYMFFZLMFCROP-KXXHFCIOSA-N 2 1 402.966 3.826 20 0 HHADMP Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000555335591 1073360646 /nfs/dbraw/zinc/36/06/46/1073360646.db2.gz PYNFJJIFJKXKIH-KDURUIRLSA-N 2 1 411.594 3.595 20 0 HHADMP C[NH+]1CCN([C@H](C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c2ccccc2)CC1 ZINC000589995374 1073435827 /nfs/dbraw/zinc/43/58/27/1073435827.db2.gz QHBKIESRIJYUCK-DEOSSOPVSA-N 2 1 406.574 3.600 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000589998734 1073439545 /nfs/dbraw/zinc/43/95/45/1073439545.db2.gz CVWKOBUDHUNZCS-UHFFFAOYSA-N 2 1 405.542 3.517 20 0 HHADMP C[N@H+](Cc1ccccc1NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C1CCCCC1 ZINC000589980212 1073458205 /nfs/dbraw/zinc/45/82/05/1073458205.db2.gz LCPPAFRUNCFOCY-UHFFFAOYSA-N 2 1 421.589 3.850 20 0 HHADMP C[N@@H+](Cc1ccccc1NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C1CCCCC1 ZINC000589980212 1073458213 /nfs/dbraw/zinc/45/82/13/1073458213.db2.gz LCPPAFRUNCFOCY-UHFFFAOYSA-N 2 1 421.589 3.850 20 0 HHADMP COc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc(OC)c1 ZINC000555611971 1073675288 /nfs/dbraw/zinc/67/52/88/1073675288.db2.gz FVTWTBWSFYPWHK-QFIPXVFZSA-N 2 1 410.558 3.722 20 0 HHADMP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000555877218 1073931413 /nfs/dbraw/zinc/93/14/13/1073931413.db2.gz UBPROTCIGLJGJT-UHFFFAOYSA-N 2 1 421.010 3.533 20 0 HHADMP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000555877218 1073931415 /nfs/dbraw/zinc/93/14/15/1073931415.db2.gz UBPROTCIGLJGJT-UHFFFAOYSA-N 2 1 421.010 3.533 20 0 HHADMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccnn2Cc2ccccc2Cl)CC1 ZINC000590786486 1074004392 /nfs/dbraw/zinc/00/43/92/1074004392.db2.gz CIQLAYABKRDWKI-UHFFFAOYSA-N 2 1 417.985 3.576 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccnn2Cc2ccccc2Cl)CC1 ZINC000590786486 1074004403 /nfs/dbraw/zinc/00/44/03/1074004403.db2.gz CIQLAYABKRDWKI-UHFFFAOYSA-N 2 1 417.985 3.576 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000591076403 1074099131 /nfs/dbraw/zinc/09/91/31/1074099131.db2.gz YFVJDNYTDPBTOK-OAQYLSRUSA-N 2 1 409.574 3.802 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000591076403 1074099137 /nfs/dbraw/zinc/09/91/37/1074099137.db2.gz YFVJDNYTDPBTOK-OAQYLSRUSA-N 2 1 409.574 3.802 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000591076403 1074099142 /nfs/dbraw/zinc/09/91/42/1074099142.db2.gz YFVJDNYTDPBTOK-OAQYLSRUSA-N 2 1 409.574 3.802 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000591078494 1074100007 /nfs/dbraw/zinc/10/00/07/1074100007.db2.gz NCLWXFYWRHHVKK-HXUWFJFHSA-N 2 1 401.595 3.792 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000591545363 1074381280 /nfs/dbraw/zinc/38/12/80/1074381280.db2.gz FZPNTZQLOZMDOS-WIYYLYMNSA-N 2 1 407.002 3.897 20 0 HHADMP C[C@H]([NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574096179 1075166667 /nfs/dbraw/zinc/16/66/67/1075166667.db2.gz MTFDLWIHFZTFCW-CLOIUZTFSA-N 2 1 421.585 3.523 20 0 HHADMP C[C@]12CCC[N@@H+]1C[C@@H](c1noc([C@H]3CCC[NH+](Cc4cccc(F)c4)C3)n1)OC2 ZINC000574318656 1075219487 /nfs/dbraw/zinc/21/94/87/1075219487.db2.gz ZSUKJGAFDLGVRG-LQBOVUBWSA-N 2 1 400.498 3.514 20 0 HHADMP C[C@]12CCC[N@H+]1C[C@@H](c1noc([C@H]3CCC[NH+](Cc4cccc(F)c4)C3)n1)OC2 ZINC000574318656 1075219489 /nfs/dbraw/zinc/21/94/89/1075219489.db2.gz ZSUKJGAFDLGVRG-LQBOVUBWSA-N 2 1 400.498 3.514 20 0 HHADMP C[C@]12CCC[NH+]1C[C@@H](c1noc([C@H]3CCC[N@H+](Cc4cccc(F)c4)C3)n1)OC2 ZINC000574318656 1075219492 /nfs/dbraw/zinc/21/94/92/1075219492.db2.gz ZSUKJGAFDLGVRG-LQBOVUBWSA-N 2 1 400.498 3.514 20 0 HHADMP C[C@]12CCC[NH+]1C[C@@H](c1noc([C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)n1)OC2 ZINC000574318656 1075219494 /nfs/dbraw/zinc/21/94/94/1075219494.db2.gz ZSUKJGAFDLGVRG-LQBOVUBWSA-N 2 1 400.498 3.514 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000594966306 1075388313 /nfs/dbraw/zinc/38/83/13/1075388313.db2.gz LZLOHKLYMPSOIY-VXKWHMMOSA-N 2 1 424.614 3.631 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000594966306 1075388317 /nfs/dbraw/zinc/38/83/17/1075388317.db2.gz LZLOHKLYMPSOIY-VXKWHMMOSA-N 2 1 424.614 3.631 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000594966306 1075388322 /nfs/dbraw/zinc/38/83/22/1075388322.db2.gz LZLOHKLYMPSOIY-VXKWHMMOSA-N 2 1 424.614 3.631 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000594966306 1075388332 /nfs/dbraw/zinc/38/83/32/1075388332.db2.gz LZLOHKLYMPSOIY-VXKWHMMOSA-N 2 1 424.614 3.631 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000595588578 1075469992 /nfs/dbraw/zinc/46/99/92/1075469992.db2.gz XHNPAVHNQPQLRU-QGZVFWFLSA-N 2 1 409.521 3.615 20 0 HHADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC000641923710 1075679369 /nfs/dbraw/zinc/67/93/69/1075679369.db2.gz HSDHLRAMSBZESU-QPPBQGQZSA-N 2 1 406.574 3.775 20 0 HHADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC000641923710 1075679371 /nfs/dbraw/zinc/67/93/71/1075679371.db2.gz HSDHLRAMSBZESU-QPPBQGQZSA-N 2 1 406.574 3.775 20 0 HHADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000641923710 1075679373 /nfs/dbraw/zinc/67/93/73/1075679373.db2.gz HSDHLRAMSBZESU-QPPBQGQZSA-N 2 1 406.574 3.775 20 0 HHADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000641923710 1075679374 /nfs/dbraw/zinc/67/93/74/1075679374.db2.gz HSDHLRAMSBZESU-QPPBQGQZSA-N 2 1 406.574 3.775 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc(OCCC[NH+](C)C)cc3)CC2)cs1 ZINC000597778380 1075706273 /nfs/dbraw/zinc/70/62/73/1075706273.db2.gz LWYOCSYPYDHGNX-UHFFFAOYSA-N 2 1 416.591 3.633 20 0 HHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC(C3C[NH2+]C3)CC2)n1 ZINC001164615086 719037650 /nfs/dbraw/zinc/03/76/50/719037650.db2.gz IMDIDPMHKBCZDW-UHFFFAOYSA-N 2 1 407.587 3.856 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2ccc(Cl)c(Cl)n2)c2c1CC[NH2+]C2 ZINC001164685056 719621279 /nfs/dbraw/zinc/62/12/79/719621279.db2.gz ZGFDRLWPTWTFRH-UHFFFAOYSA-N 2 1 404.292 3.668 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2ccc(Cl)c(Cl)n2)c2c1CC[NH2+]C2 ZINC001164685056 719621284 /nfs/dbraw/zinc/62/12/84/719621284.db2.gz ZGFDRLWPTWTFRH-UHFFFAOYSA-N 2 1 404.292 3.668 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(-c2cc(Cl)nc(-c3ccc(F)cc3)n2)c2c1CC[NH2+]C2 ZINC001164679490 719643836 /nfs/dbraw/zinc/64/38/36/719643836.db2.gz CJFNOHVLRAQIEA-UHFFFAOYSA-N 2 1 414.916 3.608 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(Cl)nc(-c3ccc(F)cc3)n2)c2c1CC[NH2+]C2 ZINC001164679490 719643852 /nfs/dbraw/zinc/64/38/52/719643852.db2.gz CJFNOHVLRAQIEA-UHFFFAOYSA-N 2 1 414.916 3.608 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)c(C3CC3)c2)c2c1CC[NH2+]C2 ZINC001164680655 719653653 /nfs/dbraw/zinc/65/36/53/719653653.db2.gz GZEHRUBIQMAJTK-UHFFFAOYSA-N 2 1 409.912 3.892 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)c(C3CC3)c2)c2c1CC[NH2+]C2 ZINC001164680655 719653662 /nfs/dbraw/zinc/65/36/62/719653662.db2.gz GZEHRUBIQMAJTK-UHFFFAOYSA-N 2 1 409.912 3.892 20 0 HHADMP C[N@@H+](Cc1ccc(N2CCC3(CC2)C[NH+](Cc2cccs2)CCO3)nc1)C1CC1 ZINC001164705947 719899756 /nfs/dbraw/zinc/89/97/56/719899756.db2.gz GHPPCBDGCXFWRP-UHFFFAOYSA-N 2 1 412.603 3.609 20 0 HHADMP C[NH+](Cc1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1)C1CC1 ZINC001164705947 719899757 /nfs/dbraw/zinc/89/97/57/719899757.db2.gz GHPPCBDGCXFWRP-UHFFFAOYSA-N 2 1 412.603 3.609 20 0 HHADMP C[NH+](Cc1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1)C1CC1 ZINC001164705947 719899760 /nfs/dbraw/zinc/89/97/60/719899760.db2.gz GHPPCBDGCXFWRP-UHFFFAOYSA-N 2 1 412.603 3.609 20 0 HHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]cnc3c1ccn3C1CCCC1)C2 ZINC001164810072 720125086 /nfs/dbraw/zinc/12/50/86/720125086.db2.gz JOGYPHXRVLVCFJ-NTKDMRAZSA-N 2 1 409.578 3.731 20 0 HHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]cnc3c1ccn3C1CCCC1)C2 ZINC001164810072 720125088 /nfs/dbraw/zinc/12/50/88/720125088.db2.gz JOGYPHXRVLVCFJ-NTKDMRAZSA-N 2 1 409.578 3.731 20 0 HHADMP COc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]c2ccccc21 ZINC001164842154 720574782 /nfs/dbraw/zinc/57/47/82/720574782.db2.gz WZWSBDWEYZLWAP-CNNODRBYSA-N 2 1 405.546 3.818 20 0 HHADMP COc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]c2ccccc21 ZINC001164842154 720574792 /nfs/dbraw/zinc/57/47/92/720574792.db2.gz WZWSBDWEYZLWAP-CNNODRBYSA-N 2 1 405.546 3.818 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164837568 720710354 /nfs/dbraw/zinc/71/03/54/720710354.db2.gz DRMLIBDEXTXOQU-XMMPIXPASA-N 2 1 420.601 3.937 20 0 HHADMP c1cc2c[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cc2[nH]1 ZINC001164754827 720875543 /nfs/dbraw/zinc/87/55/43/720875543.db2.gz SXXXKURLUYNYSP-RDGATRHJSA-N 2 1 417.557 3.713 20 0 HHADMP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164775105 721303748 /nfs/dbraw/zinc/30/37/48/721303748.db2.gz PPOIWCBIWOCDLR-UHFFFAOYSA-N 2 1 408.924 3.579 20 0 HHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]c(C)cc3[nH]ccc31)CC2 ZINC001164782764 721461455 /nfs/dbraw/zinc/46/14/55/721461455.db2.gz BQIKOLBWBQLVQZ-FQEVSTJZSA-N 2 1 412.578 3.605 20 0 HHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001164796814 721499153 /nfs/dbraw/zinc/49/91/53/721499153.db2.gz YZXVSXSOYMRUKA-UHFFFAOYSA-N 2 1 411.981 3.657 20 0 HHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]21 ZINC001165027853 721823209 /nfs/dbraw/zinc/82/32/09/721823209.db2.gz UEPFLCHHEOWQHO-OEMFJLHTSA-N 2 1 405.590 3.809 20 0 HHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc[nH+]c(N4CCCCC4)n3)C[C@@H]21 ZINC001165026361 721823239 /nfs/dbraw/zinc/82/32/39/721823239.db2.gz PDLHENSVVKKMAD-BAGYTPMASA-N 2 1 406.578 3.599 20 0 HHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc[nH+]c(N4CCCCC4)n3)C[C@@H]21 ZINC001165026361 721823240 /nfs/dbraw/zinc/82/32/40/721823240.db2.gz PDLHENSVVKKMAD-BAGYTPMASA-N 2 1 406.578 3.599 20 0 HHADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCC[C@H]([NH+](C)C)C3)n2)CCC4)CC1 ZINC001165034984 721896045 /nfs/dbraw/zinc/89/60/45/721896045.db2.gz JPRIJXZOJOJLDQ-KRWDZBQOSA-N 2 1 413.635 3.942 20 0 HHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)nc1 ZINC001164961933 722051161 /nfs/dbraw/zinc/05/11/61/722051161.db2.gz ZDRHVYSMROUJSD-OUMCCJGNSA-N 2 1 421.589 3.929 20 0 HHADMP C[N@@H+]1CCCC[C@H]1CN1CCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000301313631 970862606 /nfs/dbraw/zinc/86/26/06/970862606.db2.gz KIKGIPDMUGRVBX-KRWDZBQOSA-N 2 1 403.368 3.604 20 0 HHADMP C[N@H+]1CCCC[C@H]1CN1CCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000301313631 970862614 /nfs/dbraw/zinc/86/26/14/970862614.db2.gz KIKGIPDMUGRVBX-KRWDZBQOSA-N 2 1 403.368 3.604 20 0 HHADMP COc1cc2[nH+]c(NC[C@@H]3CCC[N@H+](C)[C@H]3c3cccs3)nc(N)c2cc1OC ZINC000301427513 970922630 /nfs/dbraw/zinc/92/26/30/970922630.db2.gz PKGSEYIAMXYORZ-ORAYPTAESA-N 2 1 413.547 3.786 20 0 HHADMP COc1cc2[nH+]c(NC[C@@H]3CCC[N@@H+](C)[C@H]3c3cccs3)nc(N)c2cc1OC ZINC000301427513 970922634 /nfs/dbraw/zinc/92/26/34/970922634.db2.gz PKGSEYIAMXYORZ-ORAYPTAESA-N 2 1 413.547 3.786 20 0 HHADMP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000542135977 1013068701 /nfs/dbraw/zinc/06/87/01/1013068701.db2.gz WTXNHQYKUPJBJA-SELNLUPBSA-N 2 1 423.557 3.691 20 0 HHADMP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000542135977 1013068716 /nfs/dbraw/zinc/06/87/16/1013068716.db2.gz WTXNHQYKUPJBJA-SELNLUPBSA-N 2 1 423.557 3.691 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537560862 1013089906 /nfs/dbraw/zinc/08/99/06/1013089906.db2.gz BBKZCIWSYKQHAY-JRGCBEDISA-N 2 1 420.960 3.659 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537560862 1013089921 /nfs/dbraw/zinc/08/99/21/1013089921.db2.gz BBKZCIWSYKQHAY-JRGCBEDISA-N 2 1 420.960 3.659 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cccc(OCC(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000303121026 971513478 /nfs/dbraw/zinc/51/34/78/971513478.db2.gz FSDSVIMGCASUOO-CALCHBBNSA-N 2 1 400.485 3.949 20 0 HHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)C[C@H](C)O1 ZINC000303132666 971520571 /nfs/dbraw/zinc/52/05/71/971520571.db2.gz IPXGSSVBMXJOQF-IYBDPMFKSA-N 2 1 404.942 3.711 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)C[C@H](C)O1 ZINC000303132666 971520573 /nfs/dbraw/zinc/52/05/73/971520573.db2.gz IPXGSSVBMXJOQF-IYBDPMFKSA-N 2 1 404.942 3.711 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000303451303 971750858 /nfs/dbraw/zinc/75/08/58/971750858.db2.gz IQLHWWTUXUDITK-FYYLOGMGSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+](C)Cc1ccccc1 ZINC000303488682 971787427 /nfs/dbraw/zinc/78/74/27/971787427.db2.gz RRYOFSCGLHYOMC-TZIWHRDSSA-N 2 1 414.619 3.780 20 0 HHADMP C[C@H](CNC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)[N@H+](C)Cc1ccccc1 ZINC000303488682 971787431 /nfs/dbraw/zinc/78/74/31/971787431.db2.gz RRYOFSCGLHYOMC-TZIWHRDSSA-N 2 1 414.619 3.780 20 0 HHADMP C[C@H](CNC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)[N@@H+](C)Cc1ccccc1 ZINC000303488682 971787435 /nfs/dbraw/zinc/78/74/35/971787435.db2.gz RRYOFSCGLHYOMC-TZIWHRDSSA-N 2 1 414.619 3.780 20 0 HHADMP C[C@@H]1C[C@H]([NH+](C)CCCN2C(=O)c3ccccc3C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000303881746 972422428 /nfs/dbraw/zinc/42/24/28/972422428.db2.gz RCXXRYYYTNPFJD-TZIWHRDSSA-N 2 1 405.542 3.658 20 0 HHADMP C[C@@H]1C[C@H]([NH+](C)CCCN2C(=O)c3ccccc3C2=O)CC[N@H+]1Cc1ccccc1 ZINC000303881746 972422437 /nfs/dbraw/zinc/42/24/37/972422437.db2.gz RCXXRYYYTNPFJD-TZIWHRDSSA-N 2 1 405.542 3.658 20 0 HHADMP C[C@@H]1C[C@H]([N@H+](C)CCCN2C(=O)c3ccccc3C2=O)CC[NH+]1Cc1ccccc1 ZINC000303881746 972422441 /nfs/dbraw/zinc/42/24/41/972422441.db2.gz RCXXRYYYTNPFJD-TZIWHRDSSA-N 2 1 405.542 3.658 20 0 HHADMP C[C@@H]1C[C@H]([N@@H+](C)CCCN2C(=O)c3ccccc3C2=O)CC[NH+]1Cc1ccccc1 ZINC000303881746 972422451 /nfs/dbraw/zinc/42/24/51/972422451.db2.gz RCXXRYYYTNPFJD-TZIWHRDSSA-N 2 1 405.542 3.658 20 0 HHADMP CCCOc1ccc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1OCC ZINC000537659575 1013220437 /nfs/dbraw/zinc/22/04/37/1013220437.db2.gz LWENXVFEGWABEU-UHFFFAOYSA-N 2 1 403.611 3.865 20 0 HHADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc(C)c1OCc1ccccn1 ZINC000537693792 1013258290 /nfs/dbraw/zinc/25/82/90/1013258290.db2.gz ZEHFMTWICMAZAS-TZRRMPRUSA-N 2 1 409.574 3.961 20 0 HHADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542325280 1013279858 /nfs/dbraw/zinc/27/98/58/1013279858.db2.gz NJHULBQBGZAIQD-RCLSDMTESA-N 2 1 400.611 3.976 20 0 HHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542325280 1013279863 /nfs/dbraw/zinc/27/98/63/1013279863.db2.gz NJHULBQBGZAIQD-RCLSDMTESA-N 2 1 400.611 3.976 20 0 HHADMP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542367410 1013322612 /nfs/dbraw/zinc/32/26/12/1013322612.db2.gz UKNJRKRSIHOOEB-NRFANRHFSA-N 2 1 421.589 3.921 20 0 HHADMP CCCCO[C@H]1C[C@@H](N(C)C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C1(C)C ZINC000553497013 1013398626 /nfs/dbraw/zinc/39/86/26/1013398626.db2.gz JWGASAKRVAGNDB-YADHBBJMSA-N 2 1 407.643 3.625 20 0 HHADMP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537840047 1013401183 /nfs/dbraw/zinc/40/11/83/1013401183.db2.gz APAKPDLLVYUJGU-LJQANCHMSA-N 2 1 412.553 3.806 20 0 HHADMP C[C@H](CNC(=O)[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000537845756 1013410567 /nfs/dbraw/zinc/41/05/67/1013410567.db2.gz MQNXDKRPRHHRCB-RTWAWAEBSA-N 2 1 408.590 3.928 20 0 HHADMP C[NH+]1CCN([C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)c2cccs2)CC1 ZINC000542477569 1013425734 /nfs/dbraw/zinc/42/57/34/1013425734.db2.gz FMFQVRQFESIGBM-JTHBVZDNSA-N 2 1 410.562 3.950 20 0 HHADMP CCC[C@H]1CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000553555726 1013453336 /nfs/dbraw/zinc/45/33/36/1013453336.db2.gz AVTWULYFWLKBQE-XZOQPEGZSA-N 2 1 415.647 3.717 20 0 HHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000048711594 964035325 /nfs/dbraw/zinc/03/53/25/964035325.db2.gz VUAWCLPCQWAYMH-MRXNPFEDSA-N 2 1 403.368 3.826 20 0 HHADMP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000050137123 964275462 /nfs/dbraw/zinc/27/54/62/964275462.db2.gz QUMDRFNQVLKGTL-NRFANRHFSA-N 2 1 414.619 3.734 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000050137764 964275630 /nfs/dbraw/zinc/27/56/30/964275630.db2.gz RNDKQLCYJLHTPM-UXHICEINSA-N 2 1 406.640 3.771 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000050137764 964275640 /nfs/dbraw/zinc/27/56/40/964275640.db2.gz RNDKQLCYJLHTPM-UXHICEINSA-N 2 1 406.640 3.771 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000050137764 964275644 /nfs/dbraw/zinc/27/56/44/964275644.db2.gz RNDKQLCYJLHTPM-UXHICEINSA-N 2 1 406.640 3.771 20 0 HHADMP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCc3c2c(Br)ccc3F)ccn1 ZINC000537945133 1013528585 /nfs/dbraw/zinc/52/85/85/1013528585.db2.gz BFUHBLRJZRHIEJ-KRWDZBQOSA-N 2 1 408.315 3.701 20 0 HHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000537959354 1013538936 /nfs/dbraw/zinc/53/89/36/1013538936.db2.gz DAEYYKAJIGMUEL-HSALFYBXSA-N 2 1 411.359 3.933 20 0 HHADMP COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)c2)cc1 ZINC000537979302 1013555535 /nfs/dbraw/zinc/55/55/35/1013555535.db2.gz AMRQBCDTIVCDTR-IUKKYPGJSA-N 2 1 411.546 3.645 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1F ZINC000553704148 1013559236 /nfs/dbraw/zinc/55/92/36/1013559236.db2.gz XGHVUIHOOAAOIT-VWLOTQADSA-N 2 1 424.564 3.695 20 0 HHADMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2ccc3c(c2)OCCCO3)CC1)CC(C)C ZINC000537997801 1013573151 /nfs/dbraw/zinc/57/31/51/1013573151.db2.gz LQCUAIBWECFYLC-UHFFFAOYSA-N 2 1 417.594 3.866 20 0 HHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2ccc3c(c2)OCCCO3)CC1)CC(C)C ZINC000537997801 1013573156 /nfs/dbraw/zinc/57/31/56/1013573156.db2.gz LQCUAIBWECFYLC-UHFFFAOYSA-N 2 1 417.594 3.866 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)CCCOc1ccccc1 ZINC000029855569 965528589 /nfs/dbraw/zinc/52/85/89/965528589.db2.gz ZQCJNWQCUUMFML-OAQYLSRUSA-N 2 1 409.574 3.557 20 0 HHADMP Cc1c(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)sc2nc(C)nc(C)c12 ZINC000030543837 965724113 /nfs/dbraw/zinc/72/41/13/965724113.db2.gz QDFRXAPPEYAZCN-KRWDZBQOSA-N 2 1 415.632 3.756 20 0 HHADMP Cc1c(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)sc2nc(C)nc(C)c12 ZINC000030543841 965724514 /nfs/dbraw/zinc/72/45/14/965724514.db2.gz QDFRXAPPEYAZCN-QGZVFWFLSA-N 2 1 415.632 3.756 20 0 HHADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc(Cl)ccc3Br)CC2)CC1 ZINC000542690387 1013609782 /nfs/dbraw/zinc/60/97/82/1013609782.db2.gz GXFOAYAUFGVSDY-UHFFFAOYSA-N 2 1 414.819 3.952 20 0 HHADMP Cc1ccc(-c2cc(C[NH+]3CCC(OCC[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)on2)cc1 ZINC000538044476 1013616814 /nfs/dbraw/zinc/61/68/14/1013616814.db2.gz FURTTWFRORFMEG-PMACEKPBSA-N 2 1 413.562 3.740 20 0 HHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)C[C@@H](C)O1 ZINC000538046667 1013619614 /nfs/dbraw/zinc/61/96/14/1013619614.db2.gz YBZGVLTWCHXMDK-IAGOWNOFSA-N 2 1 416.484 3.675 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000060545142 966198894 /nfs/dbraw/zinc/19/88/94/966198894.db2.gz SNTKLKFZIQBPMN-HXUWFJFHSA-N 2 1 400.611 3.934 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC000060545142 966198899 /nfs/dbraw/zinc/19/88/99/966198899.db2.gz SNTKLKFZIQBPMN-HXUWFJFHSA-N 2 1 400.611 3.934 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC000060545142 966198904 /nfs/dbraw/zinc/19/89/04/966198904.db2.gz SNTKLKFZIQBPMN-HXUWFJFHSA-N 2 1 400.611 3.934 20 0 HHADMP COc1ccc([C@H](CNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)[NH+]2CCCC2)cc1 ZINC000056791848 966465809 /nfs/dbraw/zinc/46/58/09/966465809.db2.gz SZMRSGCQLPZBPZ-QHCPKHFHSA-N 2 1 416.610 3.594 20 0 HHADMP CC1CC[NH+](CCCNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000061498512 966480440 /nfs/dbraw/zinc/48/04/40/966480440.db2.gz CKFISQMPGGHJOR-OAQYLSRUSA-N 2 1 400.611 3.982 20 0 HHADMP CCOc1cccc(C[NH+]2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000038850779 966487580 /nfs/dbraw/zinc/48/75/80/966487580.db2.gz SFJWDUZMTJPBJM-UHFFFAOYSA-N 2 1 421.585 3.642 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)c1 ZINC000061865130 966566586 /nfs/dbraw/zinc/56/65/86/966566586.db2.gz JVMUURVUVSJTOQ-UHFFFAOYSA-N 2 1 408.590 3.774 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000061865130 966566590 /nfs/dbraw/zinc/56/65/90/966566590.db2.gz JVMUURVUVSJTOQ-UHFFFAOYSA-N 2 1 408.590 3.774 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1 ZINC000061865130 966566599 /nfs/dbraw/zinc/56/65/99/966566599.db2.gz JVMUURVUVSJTOQ-UHFFFAOYSA-N 2 1 408.590 3.774 20 0 HHADMP CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)o1 ZINC000042743773 966841091 /nfs/dbraw/zinc/84/10/91/966841091.db2.gz FHBIPGNDHJQKBS-KDURUIRLSA-N 2 1 413.562 3.661 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000063464283 966867612 /nfs/dbraw/zinc/86/76/12/966867612.db2.gz CNBFZRBCBUYIMR-OFNKIYASSA-N 2 1 412.553 3.640 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000042929679 966870736 /nfs/dbraw/zinc/87/07/36/966870736.db2.gz GBOOTHIOTAQEAG-OYRHEFFESA-N 2 1 400.611 3.708 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1F ZINC000063659508 966919951 /nfs/dbraw/zinc/91/99/51/966919951.db2.gz DSVFCAWDIUKBPW-HXUWFJFHSA-N 2 1 424.495 3.987 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1F ZINC000063659508 966919961 /nfs/dbraw/zinc/91/99/61/966919961.db2.gz DSVFCAWDIUKBPW-HXUWFJFHSA-N 2 1 424.495 3.987 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)cc2)C[C@@H](C)O1 ZINC000043805051 967038218 /nfs/dbraw/zinc/03/82/18/967038218.db2.gz QPEGKGVFQAKHRU-NHCUHLMSSA-N 2 1 421.585 3.822 20 0 HHADMP C[C@H]1C[NH+](Cc2ccc(C(=O)N3CCC[N@H+](Cc4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC000043805176 967038412 /nfs/dbraw/zinc/03/84/12/967038412.db2.gz GFNKNUOMTYMGIO-VXKWHMMOSA-N 2 1 421.585 3.644 20 0 HHADMP C[C@H]1C[NH+](Cc2ccc(C(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC000043805176 967038418 /nfs/dbraw/zinc/03/84/18/967038418.db2.gz GFNKNUOMTYMGIO-VXKWHMMOSA-N 2 1 421.585 3.644 20 0 HHADMP O[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000065274802 967423326 /nfs/dbraw/zinc/42/33/26/967423326.db2.gz JRVZPOUUEOUJFD-QFIPXVFZSA-N 2 1 410.949 3.739 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000065442085 967467525 /nfs/dbraw/zinc/46/75/25/967467525.db2.gz KCRZXEKNTUOIPT-JOCHJYFZSA-N 2 1 420.601 3.834 20 0 HHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000065442085 967467531 /nfs/dbraw/zinc/46/75/31/967467531.db2.gz KCRZXEKNTUOIPT-JOCHJYFZSA-N 2 1 420.601 3.834 20 0 HHADMP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000045567716 967498182 /nfs/dbraw/zinc/49/81/82/967498182.db2.gz WAYHMCTVNWXDQG-DNQXCXABSA-N 2 1 406.574 3.841 20 0 HHADMP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000045567718 967498255 /nfs/dbraw/zinc/49/82/55/967498255.db2.gz WAYHMCTVNWXDQG-BJKOFHAPSA-N 2 1 406.574 3.841 20 0 HHADMP C[NH+](C)CCN(CCc1ccccc1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000065518409 967503866 /nfs/dbraw/zinc/50/38/66/967503866.db2.gz LPCOUXKAAUAZIT-RUZDIDTESA-N 2 1 422.617 3.715 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1 ZINC000065521393 967505489 /nfs/dbraw/zinc/50/54/89/967505489.db2.gz PTRYXUHOJWHKKO-CVDCTZTESA-N 2 1 412.553 3.734 20 0 HHADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000065522054 967505927 /nfs/dbraw/zinc/50/59/27/967505927.db2.gz XITRFOCPEJIWOP-YKSBVNFPSA-N 2 1 424.564 3.879 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000065522054 967505932 /nfs/dbraw/zinc/50/59/32/967505932.db2.gz XITRFOCPEJIWOP-YKSBVNFPSA-N 2 1 424.564 3.879 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000065522054 967505937 /nfs/dbraw/zinc/50/59/37/967505937.db2.gz XITRFOCPEJIWOP-YKSBVNFPSA-N 2 1 424.564 3.879 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000065522054 967505942 /nfs/dbraw/zinc/50/59/42/967505942.db2.gz XITRFOCPEJIWOP-YKSBVNFPSA-N 2 1 424.564 3.879 20 0 HHADMP CC(C)[N@H+](Cc1ccc(NC(=O)N2CCC[NH+](C)CC2)cc1)C[C@@H]1CCCCO1 ZINC000542891000 1013736241 /nfs/dbraw/zinc/73/62/41/1013736241.db2.gz LKLMGJWQQPFIAG-QFIPXVFZSA-N 2 1 402.583 3.636 20 0 HHADMP CC(C)[NH+](Cc1ccc(NC(=O)N2CCC[N@H+](C)CC2)cc1)C[C@@H]1CCCCO1 ZINC000542891000 1013736252 /nfs/dbraw/zinc/73/62/52/1013736252.db2.gz LKLMGJWQQPFIAG-QFIPXVFZSA-N 2 1 402.583 3.636 20 0 HHADMP CC(C)[NH+](Cc1ccc(NC(=O)N2CCC[N@@H+](C)CC2)cc1)C[C@@H]1CCCCO1 ZINC000542891000 1013736260 /nfs/dbraw/zinc/73/62/60/1013736260.db2.gz LKLMGJWQQPFIAG-QFIPXVFZSA-N 2 1 402.583 3.636 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000046129403 967670754 /nfs/dbraw/zinc/67/07/54/967670754.db2.gz XBXBKVXKCPMGMB-OYRHEFFESA-N 2 1 412.622 3.934 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000538212117 1013765332 /nfs/dbraw/zinc/76/53/32/1013765332.db2.gz BZHKCZWNSWOHLR-HNNXBMFYSA-N 2 1 420.479 3.535 20 0 HHADMP O=C(N[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000065866559 968688682 /nfs/dbraw/zinc/68/86/82/968688682.db2.gz WHBOSQZRDMDRLE-ISKFKSNPSA-N 2 1 409.549 3.819 20 0 HHADMP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000065866559 968688685 /nfs/dbraw/zinc/68/86/85/968688685.db2.gz WHBOSQZRDMDRLE-ISKFKSNPSA-N 2 1 409.549 3.819 20 0 HHADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000065866559 968688690 /nfs/dbraw/zinc/68/86/90/968688690.db2.gz WHBOSQZRDMDRLE-ISKFKSNPSA-N 2 1 409.549 3.819 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccco1 ZINC000065901205 968706019 /nfs/dbraw/zinc/70/60/19/968706019.db2.gz DEFUJASJVDLRKI-CTNGQTDRSA-N 2 1 401.526 3.830 20 0 HHADMP Cc1cccc(C[NH+]2CCN(C(=O)NCCCC[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC000071935853 968896760 /nfs/dbraw/zinc/89/67/60/968896760.db2.gz LQLJWEDAPZSUFD-SZPZYZBQSA-N 2 1 400.611 3.580 20 0 HHADMP Cc1cccc(C[NH+]2CCN(C(=O)NCCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC000071935853 968896771 /nfs/dbraw/zinc/89/67/71/968896771.db2.gz LQLJWEDAPZSUFD-SZPZYZBQSA-N 2 1 400.611 3.580 20 0 HHADMP C[N@@H+]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000072036128 968948103 /nfs/dbraw/zinc/94/81/03/968948103.db2.gz YXCTYQOIIBJABU-XMMPIXPASA-N 2 1 406.574 3.597 20 0 HHADMP C[N@H+]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000072036128 968948111 /nfs/dbraw/zinc/94/81/11/968948111.db2.gz YXCTYQOIIBJABU-XMMPIXPASA-N 2 1 406.574 3.597 20 0 HHADMP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000072097328 968990218 /nfs/dbraw/zinc/99/02/18/968990218.db2.gz LTNCDACCKOJZCD-GOSISDBHSA-N 2 1 409.530 3.586 20 0 HHADMP CCc1ccc([C@H](CNC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)[NH+](CC)CC)cc1 ZINC000554220609 1013859778 /nfs/dbraw/zinc/85/97/78/1013859778.db2.gz ZERHTFYYFOZKLG-NRFANRHFSA-N 2 1 422.577 3.598 20 0 HHADMP COc1cccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)c1 ZINC000108929486 969435820 /nfs/dbraw/zinc/43/58/20/969435820.db2.gz XNIAVVMXOARWJA-ILBGXUMGSA-N 2 1 421.585 3.861 20 0 HHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3C[C@@H](C)C[C@H]3c3cccnc3)CC2)cc1 ZINC000554262626 1013882804 /nfs/dbraw/zinc/88/28/04/1013882804.db2.gz BRGOKJYYXJYBAH-URXFXBBRSA-N 2 1 406.574 3.507 20 0 HHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3C[C@@H](C)C[C@H]3c3cccnc3)CC2)cc1 ZINC000554262626 1013882809 /nfs/dbraw/zinc/88/28/09/1013882809.db2.gz BRGOKJYYXJYBAH-URXFXBBRSA-N 2 1 406.574 3.507 20 0 HHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@@H](C)C[C@H]3c3cccnc3)CC2)cc1 ZINC000554262626 1013882816 /nfs/dbraw/zinc/88/28/16/1013882816.db2.gz BRGOKJYYXJYBAH-URXFXBBRSA-N 2 1 406.574 3.507 20 0 HHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3C[C@@H](C)C[C@H]3c3cccnc3)CC2)cc1 ZINC000554262626 1013882822 /nfs/dbraw/zinc/88/28/22/1013882822.db2.gz BRGOKJYYXJYBAH-URXFXBBRSA-N 2 1 406.574 3.507 20 0 HHADMP CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000110233358 969641002 /nfs/dbraw/zinc/64/10/02/969641002.db2.gz NQEHSZOUOBLPNZ-UXHICEINSA-N 2 1 401.595 3.961 20 0 HHADMP COc1ccc(Br)cc1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000110427302 969666527 /nfs/dbraw/zinc/66/65/27/969666527.db2.gz GDVZMELZCHNCJD-HZPDHXFCSA-N 2 1 411.384 3.779 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)N2CCc3sccc3C2)CC1 ZINC000110912575 969740629 /nfs/dbraw/zinc/74/06/29/969740629.db2.gz OJEAGHRTRASPES-UHFFFAOYSA-N 2 1 411.615 3.867 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NCc2ccccc2N2CC[NH+](C)CC2)cc1)C(C)C ZINC000110952340 969746622 /nfs/dbraw/zinc/74/66/22/969746622.db2.gz CMEHCNFIQAFHEC-UHFFFAOYSA-N 2 1 408.590 3.599 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NC3CC[NH+](CC4CCCCC4)CC3)CC2)cs1 ZINC000111139497 969785537 /nfs/dbraw/zinc/78/55/37/969785537.db2.gz UIHBNVGSLKBTFF-UHFFFAOYSA-N 2 1 418.651 3.824 20 0 HHADMP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000116544979 969903597 /nfs/dbraw/zinc/90/35/97/969903597.db2.gz IBUNCRGGRKHLBS-JOCHJYFZSA-N 2 1 407.583 3.860 20 0 HHADMP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554376048 1013925204 /nfs/dbraw/zinc/92/52/04/1013925204.db2.gz DGEAIPFMVDRCNA-MISYRCLQSA-N 2 1 411.512 3.820 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000139927659 970054524 /nfs/dbraw/zinc/05/45/24/970054524.db2.gz VIYGHTADHCBHQF-FQEVSTJZSA-N 2 1 418.651 3.912 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cn1 ZINC000141707058 970126675 /nfs/dbraw/zinc/12/66/75/970126675.db2.gz QOTMDVOJWROYIS-JOCHJYFZSA-N 2 1 418.545 3.520 20 0 HHADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000236822249 970176657 /nfs/dbraw/zinc/17/66/57/970176657.db2.gz KLUCYZPGUCIMEL-INIZCTEOSA-N 2 1 404.352 3.855 20 0 HHADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000236822249 970176661 /nfs/dbraw/zinc/17/66/61/970176661.db2.gz KLUCYZPGUCIMEL-INIZCTEOSA-N 2 1 404.352 3.855 20 0 HHADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000237074355 970218190 /nfs/dbraw/zinc/21/81/90/970218190.db2.gz HTVKGIJYKVHQOT-UHFFFAOYSA-N 2 1 423.630 3.777 20 0 HHADMP Cn1cc(C[NH2+]CCC[N@H+](C)C2CCCCC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000237086521 970220537 /nfs/dbraw/zinc/22/05/37/970220537.db2.gz CYVBCDWTMGMODU-UHFFFAOYSA-N 2 1 412.578 3.993 20 0 HHADMP Cn1cc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000237086521 970220542 /nfs/dbraw/zinc/22/05/42/970220542.db2.gz CYVBCDWTMGMODU-UHFFFAOYSA-N 2 1 412.578 3.993 20 0 HHADMP COc1cc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)ccc1OCc1ccc(F)cc1 ZINC000237154294 970232902 /nfs/dbraw/zinc/23/29/02/970232902.db2.gz NVBURUJXQRMUOD-UHFFFAOYSA-N 2 1 415.553 3.531 20 0 HHADMP COC(=O)COc1c(C)cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1C ZINC000237189736 970238913 /nfs/dbraw/zinc/23/89/13/970238913.db2.gz XAYAEQOXBCKHGF-REWPJTCUSA-N 2 1 410.558 3.998 20 0 HHADMP COCCC[NH+]1CCC([NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2C)CC1 ZINC000237205714 970241229 /nfs/dbraw/zinc/24/12/29/970241229.db2.gz TWYWANLTNXYXQX-UHFFFAOYSA-N 2 1 404.986 3.792 20 0 HHADMP COc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc(Br)c1OC(F)F ZINC000237257774 970250286 /nfs/dbraw/zinc/25/02/86/970250286.db2.gz CLESMRWKLOFLJH-NSHDSACASA-N 2 1 418.282 3.990 20 0 HHADMP COc1cc(C)c(C[C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1OC ZINC000554560223 1013977960 /nfs/dbraw/zinc/97/79/60/1013977960.db2.gz CQTUFORZZXWGKN-AZUAARDMSA-N 2 1 417.619 3.583 20 0 HHADMP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000237813314 970373628 /nfs/dbraw/zinc/37/36/28/970373628.db2.gz UDXQJJWOLCVVRT-SFHVURJKSA-N 2 1 411.377 3.814 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nc(-c2ccccc2N2CC[NH+](C)CC2)no1 ZINC000554804030 1014051659 /nfs/dbraw/zinc/05/16/59/1014051659.db2.gz CBIZXDYOHOYDNS-DENIHFKCSA-N 2 1 417.557 3.724 20 0 HHADMP CC(C)(C)OC(=O)N1CCC(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000390568352 972825191 /nfs/dbraw/zinc/82/51/91/972825191.db2.gz BBQOYEPUBFCGBB-JOCHJYFZSA-N 2 1 417.594 3.514 20 0 HHADMP CC(C)(C)OC(=O)N1CCC(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000390568352 972825201 /nfs/dbraw/zinc/82/52/01/972825201.db2.gz BBQOYEPUBFCGBB-JOCHJYFZSA-N 2 1 417.594 3.514 20 0 HHADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 ZINC000554836261 1014068908 /nfs/dbraw/zinc/06/89/08/1014068908.db2.gz GYRCLQRMWVCZSW-QHCPKHFHSA-N 2 1 406.574 3.577 20 0 HHADMP C[N@H+](CCC(=O)Nc1cccc2ccccc21)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425925385 974036918 /nfs/dbraw/zinc/03/69/18/974036918.db2.gz RAITYRSXXWIOOO-SANMLTNESA-N 2 1 417.553 3.737 20 0 HHADMP C[N@@H+](CCC(=O)Nc1cccc2ccccc21)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425925385 974036932 /nfs/dbraw/zinc/03/69/32/974036932.db2.gz RAITYRSXXWIOOO-SANMLTNESA-N 2 1 417.553 3.737 20 0 HHADMP C[NH+](CCC(=O)Nc1cccc2ccccc21)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425925385 974036945 /nfs/dbraw/zinc/03/69/45/974036945.db2.gz RAITYRSXXWIOOO-SANMLTNESA-N 2 1 417.553 3.737 20 0 HHADMP C[NH+](CCC(=O)Nc1cccc2ccccc21)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425925385 974036958 /nfs/dbraw/zinc/03/69/58/974036958.db2.gz RAITYRSXXWIOOO-SANMLTNESA-N 2 1 417.553 3.737 20 0 HHADMP CC[N@@H+](CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)CCC(F)(F)F ZINC000425977046 974086482 /nfs/dbraw/zinc/08/64/82/974086482.db2.gz JBPAXGJYWPKHMD-HKUYNNGSSA-N 2 1 414.516 3.613 20 0 HHADMP CC[NH+](CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)CCC(F)(F)F ZINC000425977046 974086563 /nfs/dbraw/zinc/08/65/63/974086563.db2.gz JBPAXGJYWPKHMD-HKUYNNGSSA-N 2 1 414.516 3.613 20 0 HHADMP CC[NH+](CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)CCC(F)(F)F ZINC000425977046 974086576 /nfs/dbraw/zinc/08/65/76/974086576.db2.gz JBPAXGJYWPKHMD-HKUYNNGSSA-N 2 1 414.516 3.613 20 0 HHADMP COc1cccc2c1CC[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C3CCOCC3)c1)C2 ZINC000426059778 974182046 /nfs/dbraw/zinc/18/20/46/974182046.db2.gz FVNAVIRIOHPFRG-JOCHJYFZSA-N 2 1 424.585 3.832 20 0 HHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)CCc2ccc(OC)c(O)c2)CC1 ZINC000426422316 974440280 /nfs/dbraw/zinc/44/02/80/974440280.db2.gz VMCVFSKSGITBQN-HXUWFJFHSA-N 2 1 411.590 3.649 20 0 HHADMP CCn1c(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)nc2cc(F)ccc21 ZINC000426770524 974647137 /nfs/dbraw/zinc/64/71/37/974647137.db2.gz SSVCMZDTBXGEJI-QZTJIDSGSA-N 2 1 402.558 3.907 20 0 HHADMP CC(C)CNC(=O)c1cccc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000426770261 974647559 /nfs/dbraw/zinc/64/75/59/974647559.db2.gz QJWHINWLVPEPCO-OYRHEFFESA-N 2 1 415.622 3.784 20 0 HHADMP CCOc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000426821092 974686002 /nfs/dbraw/zinc/68/60/02/974686002.db2.gz PTTXRQQWIGKWID-AQNXPRMDSA-N 2 1 417.594 3.624 20 0 HHADMP O=C(Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1)[C@H]1CCC[N@H+]1C1CC1 ZINC000426930092 974760041 /nfs/dbraw/zinc/76/00/41/974760041.db2.gz XOCKOANHKYEXMC-RUZDIDTESA-N 2 1 418.585 3.617 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000427506210 975151623 /nfs/dbraw/zinc/15/16/23/975151623.db2.gz NCJJHIQEKOCTEQ-ZEQRLZLVSA-N 2 1 406.574 3.833 20 0 HHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427846674 975319109 /nfs/dbraw/zinc/31/91/09/975319109.db2.gz ANKNMWLWKUMMON-UYAOXDASSA-N 2 1 405.464 3.834 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000428107974 975440233 /nfs/dbraw/zinc/44/02/33/975440233.db2.gz ORSJCFMKUGAIFK-HJNYFJLDSA-N 2 1 410.562 3.769 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CCc4nnc5n4CCCCC5)[C@@H]3C2)cc1 ZINC000428204069 975528841 /nfs/dbraw/zinc/52/88/41/975528841.db2.gz HWMXJODTTPMZFC-YTFSRNRJSA-N 2 1 407.606 3.827 20 0 HHADMP Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)C2)cn1 ZINC000428243767 975559461 /nfs/dbraw/zinc/55/94/61/975559461.db2.gz UPEIXSMZLXRGCV-PEISPCAHSA-N 2 1 407.606 3.669 20 0 HHADMP COc1cccc(C2([NH2+]CC(=O)Nc3nc(CN4CCC(C)CC4)cs3)CC2)c1 ZINC000428317818 975622544 /nfs/dbraw/zinc/62/25/44/975622544.db2.gz DKXKXMVMGUQYKY-UHFFFAOYSA-N 2 1 414.575 3.601 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000428638242 975939674 /nfs/dbraw/zinc/93/96/74/975939674.db2.gz FVYBAYNKDMDTLY-FUPPJEDESA-N 2 1 400.611 3.993 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000428638242 975939685 /nfs/dbraw/zinc/93/96/85/975939685.db2.gz FVYBAYNKDMDTLY-FUPPJEDESA-N 2 1 400.611 3.993 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000428638242 975939692 /nfs/dbraw/zinc/93/96/92/975939692.db2.gz FVYBAYNKDMDTLY-FUPPJEDESA-N 2 1 400.611 3.993 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)CC1 ZINC000428782708 976057239 /nfs/dbraw/zinc/05/72/39/976057239.db2.gz LKMBHOWYWOSJQB-NQIIRXRSSA-N 2 1 413.528 3.883 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)CC1 ZINC000428782708 976057252 /nfs/dbraw/zinc/05/72/52/976057252.db2.gz LKMBHOWYWOSJQB-NQIIRXRSSA-N 2 1 413.528 3.883 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)[nH+]1 ZINC000428868031 976158885 /nfs/dbraw/zinc/15/88/85/976158885.db2.gz SGBCRTBFZDLYSQ-NZQKXSOJSA-N 2 1 421.589 3.711 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)[nH+]1 ZINC000428868031 976158896 /nfs/dbraw/zinc/15/88/96/976158896.db2.gz SGBCRTBFZDLYSQ-NZQKXSOJSA-N 2 1 421.589 3.711 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000428963455 976251766 /nfs/dbraw/zinc/25/17/66/976251766.db2.gz MSUXRVPQIUYANQ-SANMLTNESA-N 2 1 423.601 3.628 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000428963455 976251773 /nfs/dbraw/zinc/25/17/73/976251773.db2.gz MSUXRVPQIUYANQ-SANMLTNESA-N 2 1 423.601 3.628 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000428963455 976251780 /nfs/dbraw/zinc/25/17/80/976251780.db2.gz MSUXRVPQIUYANQ-SANMLTNESA-N 2 1 423.601 3.628 20 0 HHADMP C[N@H+]1CC[C@@H](CNC(=O)NCC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000429022790 976303685 /nfs/dbraw/zinc/30/36/85/976303685.db2.gz AACAXYBYUJGEER-LAUBAEHRSA-N 2 1 422.976 3.646 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1 ZINC000429225793 976518905 /nfs/dbraw/zinc/51/89/05/976518905.db2.gz HPIMYESNDROLJO-UHFFFAOYSA-N 2 1 408.550 3.599 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1 ZINC000429225793 976518912 /nfs/dbraw/zinc/51/89/12/976518912.db2.gz HPIMYESNDROLJO-UHFFFAOYSA-N 2 1 408.550 3.599 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000429250347 976538956 /nfs/dbraw/zinc/53/89/56/976538956.db2.gz XGDOTOLZJNDVIE-MRXNPFEDSA-N 2 1 408.949 3.997 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000429250347 976538967 /nfs/dbraw/zinc/53/89/67/976538967.db2.gz XGDOTOLZJNDVIE-MRXNPFEDSA-N 2 1 408.949 3.997 20 0 HHADMP C[C@@H](NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000429421938 976699456 /nfs/dbraw/zinc/69/94/56/976699456.db2.gz YBHBFJUOEDSWEJ-BWKNWUBXSA-N 2 1 411.590 3.569 20 0 HHADMP C[C@@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000429421938 976699461 /nfs/dbraw/zinc/69/94/61/976699461.db2.gz YBHBFJUOEDSWEJ-BWKNWUBXSA-N 2 1 411.590 3.569 20 0 HHADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000429484940 976745350 /nfs/dbraw/zinc/74/53/50/976745350.db2.gz COSMTQCHEPUZQW-XZOQPEGZSA-N 2 1 423.605 3.839 20 0 HHADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000429484940 976745360 /nfs/dbraw/zinc/74/53/60/976745360.db2.gz COSMTQCHEPUZQW-XZOQPEGZSA-N 2 1 423.605 3.839 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)CC(=O)NCc2ccccc2COc2ccccc2)[C@@H](C)C1 ZINC000429798603 977074327 /nfs/dbraw/zinc/07/43/27/977074327.db2.gz JKCVJJQQPACYCM-RDPSFJRHSA-N 2 1 409.574 3.544 20 0 HHADMP COc1cccc([C@H](C)[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000429812033 977085492 /nfs/dbraw/zinc/08/54/92/977085492.db2.gz VLWVORVACBMDRJ-FQEVSTJZSA-N 2 1 409.574 3.716 20 0 HHADMP O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000430105243 977321700 /nfs/dbraw/zinc/32/17/00/977321700.db2.gz MZUAASOXOPRSHC-HSZRJFAPSA-N 2 1 409.599 3.630 20 0 HHADMP O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000430105243 977321705 /nfs/dbraw/zinc/32/17/05/977321705.db2.gz MZUAASOXOPRSHC-HSZRJFAPSA-N 2 1 409.599 3.630 20 0 HHADMP Cc1ccccc1OCCCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430673070 977683633 /nfs/dbraw/zinc/68/36/33/977683633.db2.gz AVTHVJBPHSJGFC-UHFFFAOYSA-N 2 1 415.622 3.809 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(-n2cccc2)cc1 ZINC000430672354 977683869 /nfs/dbraw/zinc/68/38/69/977683869.db2.gz TWLDITYHXAIECR-UHFFFAOYSA-N 2 1 408.590 3.746 20 0 HHADMP Cc1cc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c2ccccc2n1 ZINC000430676559 977688101 /nfs/dbraw/zinc/68/81/01/977688101.db2.gz BYMXYFDJCQFMHB-UHFFFAOYSA-N 2 1 408.590 3.812 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000430678277 977688890 /nfs/dbraw/zinc/68/88/90/977688890.db2.gz SIGGDUNOEVEXRW-AHKZPQOWSA-N 2 1 423.645 3.935 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C[C@@H]1CCc2ccccc2C1 ZINC000430686301 977695161 /nfs/dbraw/zinc/69/51/61/977695161.db2.gz MFDMQZCQMKRKQR-JOCHJYFZSA-N 2 1 411.634 3.836 20 0 HHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COCc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000430824601 977780203 /nfs/dbraw/zinc/78/02/03/977780203.db2.gz XFBDQFKSFJTGED-WTIAFYNJSA-N 2 1 400.538 3.688 20 0 HHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COCc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000430824601 977780206 /nfs/dbraw/zinc/78/02/06/977780206.db2.gz XFBDQFKSFJTGED-WTIAFYNJSA-N 2 1 400.538 3.688 20 0 HHADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COCc2ccccc2F)CC[NH+]1Cc1ccccc1 ZINC000430824601 977780212 /nfs/dbraw/zinc/78/02/12/977780212.db2.gz XFBDQFKSFJTGED-WTIAFYNJSA-N 2 1 400.538 3.688 20 0 HHADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)COCc2ccccc2F)CC[NH+]1Cc1ccccc1 ZINC000430824601 977780218 /nfs/dbraw/zinc/78/02/18/977780218.db2.gz XFBDQFKSFJTGED-WTIAFYNJSA-N 2 1 400.538 3.688 20 0 HHADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430914106 977883380 /nfs/dbraw/zinc/88/33/80/977883380.db2.gz IBXOAJFQYBVICF-NRFANRHFSA-N 2 1 414.638 3.759 20 0 HHADMP COc1ccc(OCCC[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000430939454 977902024 /nfs/dbraw/zinc/90/20/24/977902024.db2.gz GKBFARBSAFFFCJ-UHFFFAOYSA-N 2 1 403.611 3.592 20 0 HHADMP COc1ccc(OCCC[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000430939454 977902031 /nfs/dbraw/zinc/90/20/31/977902031.db2.gz GKBFARBSAFFFCJ-UHFFFAOYSA-N 3 1 403.611 3.592 20 0 HHADMP COc1ccc(OCCC[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000430939454 977902037 /nfs/dbraw/zinc/90/20/37/977902037.db2.gz GKBFARBSAFFFCJ-UHFFFAOYSA-N 3 1 403.611 3.592 20 0 HHADMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1F ZINC000430947262 977908076 /nfs/dbraw/zinc/90/80/76/977908076.db2.gz AGQYGEKJOQIOCZ-LJQANCHMSA-N 2 1 418.601 3.589 20 0 HHADMP CC[C@H](Nc1ccccc1)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431053756 977982503 /nfs/dbraw/zinc/98/25/03/977982503.db2.gz ATCCJKAGSCZRNU-QHCPKHFHSA-N 2 1 400.611 3.532 20 0 HHADMP CCC(CC)n1nccc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431501263 978333358 /nfs/dbraw/zinc/33/33/58/978333358.db2.gz DOPKQXBHYVMJSD-UHFFFAOYSA-N 2 1 403.615 3.513 20 0 HHADMP Cc1ccc(C[C@@H](C)NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000431699301 978443598 /nfs/dbraw/zinc/44/35/98/978443598.db2.gz VNEGJIJXGVZPFD-GOSISDBHSA-N 2 1 420.667 3.825 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCc1ccc2ccccc2n1 ZINC000431701379 978445439 /nfs/dbraw/zinc/44/54/39/978445439.db2.gz CYEQAUPNRVVHMN-UHFFFAOYSA-N 2 1 423.605 3.573 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431764526 978494376 /nfs/dbraw/zinc/49/43/76/978494376.db2.gz HLOKHPAXHVOTPI-JOCHJYFZSA-N 2 1 405.533 3.843 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431764526 978494378 /nfs/dbraw/zinc/49/43/78/978494378.db2.gz HLOKHPAXHVOTPI-JOCHJYFZSA-N 2 1 405.533 3.843 20 0 HHADMP C[C@@H](NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1c(F)cccc1F ZINC000431793918 978517572 /nfs/dbraw/zinc/51/75/72/978517572.db2.gz IMCNNGJGLLGWIF-QGZVFWFLSA-N 2 1 422.564 3.864 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCc1cc2ccccc2[nH]1 ZINC000431800340 978523302 /nfs/dbraw/zinc/52/33/02/978523302.db2.gz WGBSJJKJQRTMIJ-UHFFFAOYSA-N 2 1 411.594 3.506 20 0 HHADMP C[C@@H](CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)[N@H+]1CCCC[C@@H]1C ZINC000431808931 978529308 /nfs/dbraw/zinc/52/93/08/978529308.db2.gz LISXFNKGBKAMRT-VXKWHMMOSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)CC2)C[C@H](C)O1 ZINC000431854705 978553993 /nfs/dbraw/zinc/55/39/93/978553993.db2.gz PNHLMOJJVBMSQL-ZRCGQRJVSA-N 2 1 405.627 3.521 20 0 HHADMP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)CC2)C[C@H](C)O1 ZINC000431854705 978553994 /nfs/dbraw/zinc/55/39/94/978553994.db2.gz PNHLMOJJVBMSQL-ZRCGQRJVSA-N 2 1 405.627 3.521 20 0 HHADMP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)CC2)C[C@H](C)O1 ZINC000431854705 978553998 /nfs/dbraw/zinc/55/39/98/978553998.db2.gz PNHLMOJJVBMSQL-ZRCGQRJVSA-N 2 1 405.627 3.521 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)CC2)C[C@H](C)O1 ZINC000431854702 978554011 /nfs/dbraw/zinc/55/40/11/978554011.db2.gz PNHLMOJJVBMSQL-MZKRTTBSSA-N 2 1 405.627 3.521 20 0 HHADMP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)CC2)C[C@H](C)O1 ZINC000431854702 978554018 /nfs/dbraw/zinc/55/40/18/978554018.db2.gz PNHLMOJJVBMSQL-MZKRTTBSSA-N 2 1 405.627 3.521 20 0 HHADMP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)CC2)C[C@H](C)O1 ZINC000431854702 978554020 /nfs/dbraw/zinc/55/40/20/978554020.db2.gz PNHLMOJJVBMSQL-MZKRTTBSSA-N 2 1 405.627 3.521 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCCc1ccc(Cl)cc1 ZINC000431886349 978577807 /nfs/dbraw/zinc/57/78/07/978577807.db2.gz XSULGXHVUWIQPL-UHFFFAOYSA-N 2 1 421.029 3.720 20 0 HHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432356318 978775472 /nfs/dbraw/zinc/77/54/72/978775472.db2.gz IIPHJXLDODHFDT-QGZVFWFLSA-N 2 1 404.986 3.792 20 0 HHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432356318 978775474 /nfs/dbraw/zinc/77/54/74/978775474.db2.gz IIPHJXLDODHFDT-QGZVFWFLSA-N 2 1 404.986 3.792 20 0 HHADMP CC[C@@]1(CO)CCC[NH+](Cc2cc(C[N@@H+]3CCC[C@@](CC)(CO)C3)cc(OC)c2)C1 ZINC000432792090 978975604 /nfs/dbraw/zinc/97/56/04/978975604.db2.gz IOTQZQONHMPDTR-JWQCQUIFSA-N 2 1 418.622 3.664 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000432833017 978987497 /nfs/dbraw/zinc/98/74/97/978987497.db2.gz AQWCPLGBUBGGLM-SANMLTNESA-N 2 1 405.586 3.739 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000432833015 978987533 /nfs/dbraw/zinc/98/75/33/978987533.db2.gz AQWCPLGBUBGGLM-AREMUKBSSA-N 2 1 405.586 3.739 20 0 HHADMP O=C(CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N1CCc2ccccc2C1 ZINC000433049408 979051723 /nfs/dbraw/zinc/05/17/23/979051723.db2.gz UIOPOLBFKSOVBU-UHFFFAOYSA-N 2 1 417.597 3.950 20 0 HHADMP O=S(=O)(CCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccccc1 ZINC000433063336 979055981 /nfs/dbraw/zinc/05/59/81/979055981.db2.gz RYOUHEWHGSFCKV-UHFFFAOYSA-N 2 1 412.599 3.839 20 0 HHADMP COc1cccc(CNC(=O)[C@H](C)[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433115939 979080173 /nfs/dbraw/zinc/08/01/73/979080173.db2.gz QGSABTFNHFSZTN-NRFANRHFSA-N 2 1 421.585 3.688 20 0 HHADMP COc1ccccc1N1CC[C@@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000433172512 979116422 /nfs/dbraw/zinc/11/64/22/979116422.db2.gz CROCHBRBARPQQW-HSZRJFAPSA-N 2 1 419.569 3.789 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433173722 979117897 /nfs/dbraw/zinc/11/78/97/979117897.db2.gz KYHXRVWVNUYIDW-UHFFFAOYSA-N 2 1 422.598 3.595 20 0 HHADMP COc1cc(C[NH+]2CC[C@@]3(C2)CCCOC3)cc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000433191405 979131366 /nfs/dbraw/zinc/13/13/66/979131366.db2.gz UYIZDIUVZNGAPL-JWQCQUIFSA-N 2 1 414.590 3.700 20 0 HHADMP COc1cc(C[NH+]2CC[C@]3(C2)CCCOC3)cc(C[N@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000433191403 979131699 /nfs/dbraw/zinc/13/16/99/979131699.db2.gz UYIZDIUVZNGAPL-DQEYMECFSA-N 2 1 414.590 3.700 20 0 HHADMP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)NCc1cc(F)cc(F)c1 ZINC000433212941 979146395 /nfs/dbraw/zinc/14/63/95/979146395.db2.gz NBDKDPZAUAYNCF-UHFFFAOYSA-N 2 1 413.512 3.569 20 0 HHADMP C[C@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000433248995 979181120 /nfs/dbraw/zinc/18/11/20/979181120.db2.gz VBUMHANQOKIUGE-FTRWYGJKSA-N 2 1 420.395 3.797 20 0 HHADMP C[C@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000433248995 979181124 /nfs/dbraw/zinc/18/11/24/979181124.db2.gz VBUMHANQOKIUGE-FTRWYGJKSA-N 2 1 420.395 3.797 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000433386265 979267873 /nfs/dbraw/zinc/26/78/73/979267873.db2.gz HNRMAWTYLCTPAB-IPJJNNNSSA-N 2 1 420.569 3.925 20 0 HHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000433457107 979315704 /nfs/dbraw/zinc/31/57/04/979315704.db2.gz YZKZWBJKXCWIHF-LJQANCHMSA-N 2 1 413.566 3.677 20 0 HHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000433457107 979315712 /nfs/dbraw/zinc/31/57/12/979315712.db2.gz YZKZWBJKXCWIHF-LJQANCHMSA-N 2 1 413.566 3.677 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1CCCc2sccc21 ZINC000434038783 979776165 /nfs/dbraw/zinc/77/61/65/979776165.db2.gz VPXOAASNDFWZMM-NRFANRHFSA-N 2 1 403.636 3.823 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CCCc2sccc21 ZINC000434038784 979776901 /nfs/dbraw/zinc/77/69/01/979776901.db2.gz VPXOAASNDFWZMM-OAQYLSRUSA-N 2 1 403.636 3.823 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000434464055 980196174 /nfs/dbraw/zinc/19/61/74/980196174.db2.gz XQLWFXSLIDBBSF-XZOQPEGZSA-N 2 1 416.585 3.519 20 0 HHADMP O[C@H](COc1ccccc1C(F)(F)F)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434679397 980335744 /nfs/dbraw/zinc/33/57/44/980335744.db2.gz OOFGWDFFFRALNU-SFHVURJKSA-N 2 1 423.479 3.858 20 0 HHADMP Nc1ccc(F)c(NC(=O)CC[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000435028414 980582104 /nfs/dbraw/zinc/58/21/04/980582104.db2.gz UTXVFZCXOIPKPM-XMMPIXPASA-N 2 1 410.537 3.725 20 0 HHADMP Nc1ccc(F)c(NC(=O)CC[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000435028414 980582107 /nfs/dbraw/zinc/58/21/07/980582107.db2.gz UTXVFZCXOIPKPM-XMMPIXPASA-N 2 1 410.537 3.725 20 0 HHADMP Nc1ccc(F)c(NC(=O)CC[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000435028414 980582109 /nfs/dbraw/zinc/58/21/09/980582109.db2.gz UTXVFZCXOIPKPM-XMMPIXPASA-N 2 1 410.537 3.725 20 0 HHADMP CCC[NH+]1CCC(NC(=O)Nc2cc(C)nn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000435536743 980927590 /nfs/dbraw/zinc/92/75/90/980927590.db2.gz VFXPFFNFNYQQMB-JOCHJYFZSA-N 2 1 424.593 3.634 20 0 HHADMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2cn3c(n2)CCCC3)C1 ZINC000435968563 981121536 /nfs/dbraw/zinc/12/15/36/981121536.db2.gz DAAZQOYKFIGMFA-UHFFFAOYSA-N 2 1 419.573 3.599 20 0 HHADMP CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2cn3c(n2)CCCC3)C1 ZINC000435968563 981121540 /nfs/dbraw/zinc/12/15/40/981121540.db2.gz DAAZQOYKFIGMFA-UHFFFAOYSA-N 2 1 419.573 3.599 20 0 HHADMP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448208984 981623104 /nfs/dbraw/zinc/62/31/04/981623104.db2.gz MTAWTQIHVSFXRC-UPVQGACJSA-N 2 1 410.606 3.557 20 0 HHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000448212743 981627007 /nfs/dbraw/zinc/62/70/07/981627007.db2.gz JPQJWKRQOQVKIJ-FQEVSTJZSA-N 2 1 423.605 3.959 20 0 HHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000448212743 981627013 /nfs/dbraw/zinc/62/70/13/981627013.db2.gz JPQJWKRQOQVKIJ-FQEVSTJZSA-N 2 1 423.605 3.959 20 0 HHADMP C[C@H](C(=O)N1CCC(Cc2[nH+]ccn2C)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000448262104 981660849 /nfs/dbraw/zinc/66/08/49/981660849.db2.gz UTPFNWXPWJJTAW-HXUWFJFHSA-N 2 1 408.590 3.544 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000437048411 981718850 /nfs/dbraw/zinc/71/88/50/981718850.db2.gz ZGEGJYPRLSJQJL-DEOSSOPVSA-N 2 1 405.586 3.879 20 0 HHADMP C[C@H](c1cccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1)N1CCOCC1 ZINC000448371256 981730214 /nfs/dbraw/zinc/73/02/14/981730214.db2.gz MJURFIRPWPIHLF-XQFWAAQXSA-N 2 1 412.578 3.560 20 0 HHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448372777 981731723 /nfs/dbraw/zinc/73/17/23/981731723.db2.gz HJKLAKOZFNWZGG-UGKGYDQZSA-N 2 1 414.594 3.888 20 0 HHADMP Cn1cc[nH+]c1CC1CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000448465314 981799776 /nfs/dbraw/zinc/79/97/76/981799776.db2.gz JTCLEDQOBGIKTF-UHFFFAOYSA-N 2 1 409.578 3.570 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1Cl ZINC000448468350 981805399 /nfs/dbraw/zinc/80/53/99/981805399.db2.gz UIAJPTZUTBSHCV-TYCQWZJGSA-N 2 1 404.986 3.601 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1Cl ZINC000448468350 981805411 /nfs/dbraw/zinc/80/54/11/981805411.db2.gz UIAJPTZUTBSHCV-TYCQWZJGSA-N 2 1 404.986 3.601 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1Cl ZINC000448468349 981805567 /nfs/dbraw/zinc/80/55/67/981805567.db2.gz UIAJPTZUTBSHCV-ORYQWCPZSA-N 2 1 404.986 3.601 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1Cl ZINC000448468349 981805572 /nfs/dbraw/zinc/80/55/72/981805572.db2.gz UIAJPTZUTBSHCV-ORYQWCPZSA-N 2 1 404.986 3.601 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCCC2)[C@@H](C)C1 ZINC000448523547 981851622 /nfs/dbraw/zinc/85/16/22/981851622.db2.gz YYQAJGSROMINFS-REWPJTCUSA-N 2 1 400.611 3.934 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(F)cc1 ZINC000460100037 981876091 /nfs/dbraw/zinc/87/60/91/981876091.db2.gz CSSYRHQVXRPJNI-CQOQZXRMSA-N 2 1 424.564 3.592 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000460171637 981943778 /nfs/dbraw/zinc/94/37/78/981943778.db2.gz XBOGKMBPXIFDQY-YFNKSVMNSA-N 2 1 412.622 3.662 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000460171637 981943784 /nfs/dbraw/zinc/94/37/84/981943784.db2.gz XBOGKMBPXIFDQY-YFNKSVMNSA-N 2 1 412.622 3.662 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000460171637 981943792 /nfs/dbraw/zinc/94/37/92/981943792.db2.gz XBOGKMBPXIFDQY-YFNKSVMNSA-N 2 1 412.622 3.662 20 0 HHADMP Cc1cc(CNC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc(N2CCCC2)[nH+]1 ZINC000460215795 981990827 /nfs/dbraw/zinc/99/08/27/981990827.db2.gz NJFLIFRIKIBXRS-LJQANCHMSA-N 2 1 409.578 3.919 20 0 HHADMP COc1ccccc1[C@H](C)NC(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000460363418 982138625 /nfs/dbraw/zinc/13/86/25/982138625.db2.gz OGTZVJKMBJKVBE-AQNXPRMDSA-N 2 1 409.574 3.619 20 0 HHADMP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000460411771 982195616 /nfs/dbraw/zinc/19/56/16/982195616.db2.gz ZZPCAEVNFWPCTH-GOTSBHOMSA-N 2 1 424.633 3.947 20 0 HHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000437675482 982289728 /nfs/dbraw/zinc/28/97/28/982289728.db2.gz HURSRIAKFVRGHG-LJQANCHMSA-N 2 1 403.596 3.758 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC000460553200 982339303 /nfs/dbraw/zinc/33/93/03/982339303.db2.gz WYGSCUIESVVBLI-GMAHTHKFSA-N 2 1 424.564 3.551 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)[C@H]1c1ccccc1 ZINC000460561290 982347054 /nfs/dbraw/zinc/34/70/54/982347054.db2.gz WCNXQFZYSOKQDH-OJJQZRKESA-N 2 1 418.585 3.595 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)[C@H]1c1ccccc1 ZINC000460561290 982347060 /nfs/dbraw/zinc/34/70/60/982347060.db2.gz WCNXQFZYSOKQDH-OJJQZRKESA-N 2 1 418.585 3.595 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)[C@H]1c1ccccc1 ZINC000460561290 982347063 /nfs/dbraw/zinc/34/70/63/982347063.db2.gz WCNXQFZYSOKQDH-OJJQZRKESA-N 2 1 418.585 3.595 20 0 HHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccco1 ZINC000461006858 982720576 /nfs/dbraw/zinc/72/05/76/982720576.db2.gz JLMWMKHTMKGQFW-MLDBQTBOSA-N 2 1 424.589 3.872 20 0 HHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000461088149 982782861 /nfs/dbraw/zinc/78/28/61/982782861.db2.gz LXDPALDZWSWEEK-KMMOIWBLSA-N 2 1 402.579 3.753 20 0 HHADMP O=C(c1cccc(C[NH+]2CCCC2)c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461429651 983092252 /nfs/dbraw/zinc/09/22/52/983092252.db2.gz NWYYNJZKJBZLQK-DQEYMECFSA-N 2 1 403.570 3.877 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000438837228 983106046 /nfs/dbraw/zinc/10/60/46/983106046.db2.gz INCGRXULOBEVBV-FQEVSTJZSA-N 2 1 423.605 3.947 20 0 HHADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461442326 983107381 /nfs/dbraw/zinc/10/73/81/983107381.db2.gz GABWTDTZGSGUMC-CUYJMHBOSA-N 2 1 421.560 3.771 20 0 HHADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461442326 983107389 /nfs/dbraw/zinc/10/73/89/983107389.db2.gz GABWTDTZGSGUMC-CUYJMHBOSA-N 2 1 421.560 3.771 20 0 HHADMP O=C([C@@H]1CCC[NH+]1Cc1ccc(F)cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461442326 983107392 /nfs/dbraw/zinc/10/73/92/983107392.db2.gz GABWTDTZGSGUMC-CUYJMHBOSA-N 2 1 421.560 3.771 20 0 HHADMP O=C([C@@H]1CCC[NH+]1Cc1ccc(F)cc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461442326 983107398 /nfs/dbraw/zinc/10/73/98/983107398.db2.gz GABWTDTZGSGUMC-CUYJMHBOSA-N 2 1 421.560 3.771 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N(CC[NH+](C)C)Cc2cccs2)cc1F ZINC000439165961 983285702 /nfs/dbraw/zinc/28/57/02/983285702.db2.gz FXFAPGYKLRNTPT-UHFFFAOYSA-N 2 1 415.538 3.655 20 0 HHADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000439345771 983374063 /nfs/dbraw/zinc/37/40/63/983374063.db2.gz HFPUXBDCBLUPEV-YADHBBJMSA-N 2 1 422.013 3.604 20 0 HHADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000439345771 983374066 /nfs/dbraw/zinc/37/40/66/983374066.db2.gz HFPUXBDCBLUPEV-YADHBBJMSA-N 2 1 422.013 3.604 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000439420585 983402101 /nfs/dbraw/zinc/40/21/01/983402101.db2.gz HNARWPANCAKNSY-KNQAVFIVSA-N 2 1 414.619 3.732 20 0 HHADMP CC(C)n1nccc1NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000439609210 983469905 /nfs/dbraw/zinc/46/99/05/983469905.db2.gz FTILNYHGALIRQP-SFHVURJKSA-N 2 1 409.534 3.806 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000439608707 983470036 /nfs/dbraw/zinc/47/00/36/983470036.db2.gz BELKKTBCIZHJNO-KRWDZBQOSA-N 2 1 421.497 3.757 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000440185194 983674308 /nfs/dbraw/zinc/67/43/08/983674308.db2.gz JLOVRXCEPLEBFF-HYBUGGRVSA-N 2 1 421.589 3.523 20 0 HHADMP Cc1ccccc1CCC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000440329257 983724194 /nfs/dbraw/zinc/72/41/94/983724194.db2.gz UVYBAWZICRURDT-UHFFFAOYSA-N 2 1 407.602 3.888 20 0 HHADMP CCC[N@H+](CC(=O)N(C)C1CCCCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000440453041 983762322 /nfs/dbraw/zinc/76/23/22/983762322.db2.gz CPTCCGDIYWMCDU-UHFFFAOYSA-N 2 1 401.599 3.565 20 0 HHADMP CCC[N@@H+](CC(=O)N(C)C1CCCCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000440453041 983762323 /nfs/dbraw/zinc/76/23/23/983762323.db2.gz CPTCCGDIYWMCDU-UHFFFAOYSA-N 2 1 401.599 3.565 20 0 HHADMP CCC[N@H+](CC(=O)N1[C@@H](C)CCC[C@@H]1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000440455361 983763335 /nfs/dbraw/zinc/76/33/35/983763335.db2.gz UBINYZZAJCIIKZ-OALUTQOASA-N 2 1 401.599 3.564 20 0 HHADMP CCC[N@@H+](CC(=O)N1[C@@H](C)CCC[C@@H]1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000440455361 983763337 /nfs/dbraw/zinc/76/33/37/983763337.db2.gz UBINYZZAJCIIKZ-OALUTQOASA-N 2 1 401.599 3.564 20 0 HHADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC1(C)C ZINC000441340371 984194973 /nfs/dbraw/zinc/19/49/73/984194973.db2.gz YTUACMKUTOYCQD-UHFFFAOYSA-N 2 1 406.368 3.825 20 0 HHADMP COc1cc(NC(=O)CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(OC)cc1Cl ZINC000441400848 984232304 /nfs/dbraw/zinc/23/23/04/984232304.db2.gz FFQSLVNKSMKELP-KXBFYZLASA-N 2 1 421.969 3.635 20 0 HHADMP COc1cc(NC(=O)CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(OC)cc1Cl ZINC000441400848 984232308 /nfs/dbraw/zinc/23/23/08/984232308.db2.gz FFQSLVNKSMKELP-KXBFYZLASA-N 2 1 421.969 3.635 20 0 HHADMP COc1cc(NC(=O)CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(OC)cc1Cl ZINC000441400848 984232314 /nfs/dbraw/zinc/23/23/14/984232314.db2.gz FFQSLVNKSMKELP-KXBFYZLASA-N 2 1 421.969 3.635 20 0 HHADMP COc1cc(NC(=O)CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(OC)cc1Cl ZINC000441400848 984232319 /nfs/dbraw/zinc/23/23/19/984232319.db2.gz FFQSLVNKSMKELP-KXBFYZLASA-N 2 1 421.969 3.635 20 0 HHADMP COc1ccc([C@@H](CNC(=O)C[N@H+](C)CCc2cccs2)[NH+]2CCCCC2)cc1 ZINC000441508823 984294248 /nfs/dbraw/zinc/29/42/48/984294248.db2.gz IYATXXMFQFSZIU-JOCHJYFZSA-N 2 1 415.603 3.574 20 0 HHADMP COc1ccc([C@@H](CNC(=O)C[N@@H+](C)CCc2cccs2)[NH+]2CCCCC2)cc1 ZINC000441508823 984294253 /nfs/dbraw/zinc/29/42/53/984294253.db2.gz IYATXXMFQFSZIU-JOCHJYFZSA-N 2 1 415.603 3.574 20 0 HHADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000462005187 984985314 /nfs/dbraw/zinc/98/53/14/984985314.db2.gz FIAQNBMYJSVULT-OAQYLSRUSA-N 2 1 400.611 3.805 20 0 HHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000462005187 984985319 /nfs/dbraw/zinc/98/53/19/984985319.db2.gz FIAQNBMYJSVULT-OAQYLSRUSA-N 2 1 400.611 3.805 20 0 HHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000462005187 984985322 /nfs/dbraw/zinc/98/53/22/984985322.db2.gz FIAQNBMYJSVULT-OAQYLSRUSA-N 2 1 400.611 3.805 20 0 HHADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000462016592 984994862 /nfs/dbraw/zinc/99/48/62/984994862.db2.gz RPAULOZKURCBFM-INIZCTEOSA-N 2 1 402.505 3.507 20 0 HHADMP COCC[NH+]1CCC([NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000462123544 985093788 /nfs/dbraw/zinc/09/37/88/985093788.db2.gz QXZDGETZXNOZET-UHFFFAOYSA-N 2 1 400.394 3.658 20 0 HHADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)CC1(C)C ZINC000442873513 985253384 /nfs/dbraw/zinc/25/33/84/985253384.db2.gz PJQUJVNAZYOSPI-SFHVURJKSA-N 2 1 402.583 3.942 20 0 HHADMP Cc1cc(CNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc(N2CCCC2)[nH+]1 ZINC000462264441 985253682 /nfs/dbraw/zinc/25/36/82/985253682.db2.gz YCAODJXHLHJXDZ-NHCUHLMSSA-N 2 1 413.610 3.786 20 0 HHADMP Cc1cc(CNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc(N2CCCC2)[nH+]1 ZINC000462264441 985253692 /nfs/dbraw/zinc/25/36/92/985253692.db2.gz YCAODJXHLHJXDZ-NHCUHLMSSA-N 2 1 413.610 3.786 20 0 HHADMP CCCN(CC[NH+]1CCCCCC1)C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000462270882 985260095 /nfs/dbraw/zinc/26/00/95/985260095.db2.gz RPCILSCICRNLMJ-UHFFFAOYSA-N 2 1 401.599 3.788 20 0 HHADMP CC[NH+]1CCN(c2ccc(-c3noc([C@H](C)[NH+]4[C@H](C)CC[C@H]4C)n3)cc2F)CC1 ZINC000443190333 985434839 /nfs/dbraw/zinc/43/48/39/985434839.db2.gz BDEWCVNYSCQGGZ-ZACQAIPSSA-N 2 1 401.530 3.951 20 0 HHADMP CCN(C(=O)NCC1(SC)CC[NH+](C)CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000462510637 985461867 /nfs/dbraw/zinc/46/18/67/985461867.db2.gz LQKBZABQCQYTLN-CTNGQTDRSA-N 2 1 418.651 3.681 20 0 HHADMP CSC1(CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH+](C)CC1 ZINC000462515258 985465922 /nfs/dbraw/zinc/46/59/22/985465922.db2.gz WVLPFSFPAKDHIT-PZJWPPBQSA-N 2 1 418.651 3.508 20 0 HHADMP Cc1ccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000462679996 985619024 /nfs/dbraw/zinc/61/90/24/985619024.db2.gz SQIOZHVGARGNDD-KNQAVFIVSA-N 2 1 410.562 3.577 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000462687609 985627237 /nfs/dbraw/zinc/62/72/37/985627237.db2.gz SDJGLGSSJNUORS-YKSBVNFPSA-N 2 1 406.574 3.602 20 0 HHADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000462750249 985691303 /nfs/dbraw/zinc/69/13/03/985691303.db2.gz NHGGMWBWICJQCO-XMMPIXPASA-N 2 1 412.622 3.806 20 0 HHADMP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000468060801 985719019 /nfs/dbraw/zinc/71/90/19/985719019.db2.gz SRIXPSLLVNFFJJ-XPWALMASSA-N 2 1 409.574 3.988 20 0 HHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000443635655 985818282 /nfs/dbraw/zinc/81/82/82/985818282.db2.gz ZJGGCQCPSHUCFK-CVDCTZTESA-N 2 1 400.611 3.933 20 0 HHADMP C[C@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000443635655 985818294 /nfs/dbraw/zinc/81/82/94/985818294.db2.gz ZJGGCQCPSHUCFK-CVDCTZTESA-N 2 1 400.611 3.933 20 0 HHADMP C[C@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000443635655 985818309 /nfs/dbraw/zinc/81/83/09/985818309.db2.gz ZJGGCQCPSHUCFK-CVDCTZTESA-N 2 1 400.611 3.933 20 0 HHADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000443646006 985837474 /nfs/dbraw/zinc/83/74/74/985837474.db2.gz CLJXEMCHVPQDHU-YADARESESA-N 2 1 408.590 3.897 20 0 HHADMP C[N@@H+](CCNC(=O)C1CCN(c2cc[nH+]c3cc(F)ccc32)CC1)Cc1ccccc1 ZINC000462911348 985842952 /nfs/dbraw/zinc/84/29/52/985842952.db2.gz JEMJPDCMFSVJAW-UHFFFAOYSA-N 2 1 420.532 3.839 20 0 HHADMP C[N@@H+](CCNC(=O)C1CCN(c2ccnc3ccsc32)CC1)Cc1ccccc1 ZINC000462913188 985844217 /nfs/dbraw/zinc/84/42/17/985844217.db2.gz SZAFUNWZAOFUNS-UHFFFAOYSA-N 2 1 408.571 3.761 20 0 HHADMP C[N@@H+](CCNC(=O)C1CCN(c2cc[nH+]c3ccsc32)CC1)Cc1ccccc1 ZINC000462913188 985844249 /nfs/dbraw/zinc/84/42/49/985844249.db2.gz SZAFUNWZAOFUNS-UHFFFAOYSA-N 2 1 408.571 3.761 20 0 HHADMP Clc1ccccc1CN1CCC([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000463135484 986102552 /nfs/dbraw/zinc/10/25/52/986102552.db2.gz BPWGOJUHHBKGQD-UHFFFAOYSA-N 2 1 413.993 3.926 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463142302 986111398 /nfs/dbraw/zinc/11/13/98/986111398.db2.gz PUHLOLUJQDJAKF-PXDATVDWSA-N 2 1 420.601 3.732 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463142302 986111402 /nfs/dbraw/zinc/11/14/02/986111402.db2.gz PUHLOLUJQDJAKF-PXDATVDWSA-N 2 1 420.601 3.732 20 0 HHADMP COc1ccc(CC[C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000468425659 986124251 /nfs/dbraw/zinc/12/42/51/986124251.db2.gz AMPGADYPSLOOGJ-CVDCTZTESA-N 2 1 409.574 3.503 20 0 HHADMP COc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000468425663 986124532 /nfs/dbraw/zinc/12/45/32/986124532.db2.gz AMPGADYPSLOOGJ-XXBNENTESA-N 2 1 409.574 3.503 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3c3ccc(F)cc3)c2)C1 ZINC000468430618 986128798 /nfs/dbraw/zinc/12/87/98/986128798.db2.gz RWIIGBZTVXVORJ-YFNKSVMNSA-N 2 1 409.549 3.949 20 0 HHADMP CCN(CCC[NH+](C)C)C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000468449305 986144735 /nfs/dbraw/zinc/14/47/35/986144735.db2.gz UJEPFDQFFJZMKN-OAQYLSRUSA-N 2 1 414.619 3.831 20 0 HHADMP CCN(CCC[NH+](C)C)C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000468449305 986144741 /nfs/dbraw/zinc/14/47/41/986144741.db2.gz UJEPFDQFFJZMKN-OAQYLSRUSA-N 2 1 414.619 3.831 20 0 HHADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)CC[N@H+]1Cc1ccccc1 ZINC000463189735 986161502 /nfs/dbraw/zinc/16/15/02/986161502.db2.gz KPJINYNAMUJVFK-MYCYEZBNSA-N 2 1 407.602 3.512 20 0 HHADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC[NH+]1Cc1ccccc1 ZINC000463189735 986161506 /nfs/dbraw/zinc/16/15/06/986161506.db2.gz KPJINYNAMUJVFK-MYCYEZBNSA-N 2 1 407.602 3.512 20 0 HHADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC[NH+]1Cc1ccccc1 ZINC000463189735 986161511 /nfs/dbraw/zinc/16/15/11/986161511.db2.gz KPJINYNAMUJVFK-MYCYEZBNSA-N 2 1 407.602 3.512 20 0 HHADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)CC[N@H+]1Cc1ccccc1 ZINC000463189734 986161694 /nfs/dbraw/zinc/16/16/94/986161694.db2.gz KPJINYNAMUJVFK-JLZPKONASA-N 2 1 407.602 3.512 20 0 HHADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC[NH+]1Cc1ccccc1 ZINC000463189734 986161697 /nfs/dbraw/zinc/16/16/97/986161697.db2.gz KPJINYNAMUJVFK-JLZPKONASA-N 2 1 407.602 3.512 20 0 HHADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC[NH+]1Cc1ccccc1 ZINC000463189734 986161700 /nfs/dbraw/zinc/16/17/00/986161700.db2.gz KPJINYNAMUJVFK-JLZPKONASA-N 2 1 407.602 3.512 20 0 HHADMP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC000463194775 986167696 /nfs/dbraw/zinc/16/76/96/986167696.db2.gz ZVSVLQGDGJVDDJ-NNWRFLSQSA-N 2 1 409.574 3.925 20 0 HHADMP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC000463194775 986167711 /nfs/dbraw/zinc/16/77/11/986167711.db2.gz ZVSVLQGDGJVDDJ-NNWRFLSQSA-N 2 1 409.574 3.925 20 0 HHADMP C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463208314 986179316 /nfs/dbraw/zinc/17/93/16/986179316.db2.gz WYYBYRDNSKIHDB-QFIPXVFZSA-N 2 1 424.608 3.633 20 0 HHADMP C[N@@H+](Cc1cc(Br)cc(Br)c1N)C[C@H]1CCC[NH+](C)C1 ZINC000463289008 986255925 /nfs/dbraw/zinc/25/59/25/986255925.db2.gz NXTHZLYNZHEHHO-NSHDSACASA-N 2 1 405.178 3.567 20 0 HHADMP C[N@H+](Cc1cc(Br)cc(Br)c1N)C[C@H]1CCC[NH+](C)C1 ZINC000463289008 986255935 /nfs/dbraw/zinc/25/59/35/986255935.db2.gz NXTHZLYNZHEHHO-NSHDSACASA-N 2 1 405.178 3.567 20 0 HHADMP C[NH+](Cc1cc(Br)cc(Br)c1N)C[C@H]1CCC[N@H+](C)C1 ZINC000463289008 986255946 /nfs/dbraw/zinc/25/59/46/986255946.db2.gz NXTHZLYNZHEHHO-NSHDSACASA-N 2 1 405.178 3.567 20 0 HHADMP C[NH+](Cc1cc(Br)cc(Br)c1N)C[C@H]1CCC[N@@H+](C)C1 ZINC000463289008 986255959 /nfs/dbraw/zinc/25/59/59/986255959.db2.gz NXTHZLYNZHEHHO-NSHDSACASA-N 2 1 405.178 3.567 20 0 HHADMP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000468553292 986259164 /nfs/dbraw/zinc/25/91/64/986259164.db2.gz KYSNQVXFUYSATI-FDDCHVKYSA-N 2 1 404.501 3.836 20 0 HHADMP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000468553292 986259174 /nfs/dbraw/zinc/25/91/74/986259174.db2.gz KYSNQVXFUYSATI-FDDCHVKYSA-N 2 1 404.501 3.836 20 0 HHADMP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000468686007 986397590 /nfs/dbraw/zinc/39/75/90/986397590.db2.gz BSUFWDJCKXMOSD-FXAWDEMLSA-N 2 1 412.981 3.845 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000444241492 986433952 /nfs/dbraw/zinc/43/39/52/986433952.db2.gz FNEISKTZZBJFFI-UHFFFAOYSA-N 2 1 407.562 3.509 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000444241492 986433959 /nfs/dbraw/zinc/43/39/59/986433959.db2.gz FNEISKTZZBJFFI-UHFFFAOYSA-N 2 1 407.562 3.509 20 0 HHADMP CCOC(=O)c1csc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000468908051 986614714 /nfs/dbraw/zinc/61/47/14/986614714.db2.gz KCPVKCIGWHDUKQ-HSALFYBXSA-N 2 1 413.587 3.753 20 0 HHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000468924041 986629821 /nfs/dbraw/zinc/62/98/21/986629821.db2.gz IEHIRWGHSJFAMC-GJZUVCINSA-N 3 1 406.618 3.829 20 0 HHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000468923653 986630021 /nfs/dbraw/zinc/63/00/21/986630021.db2.gz IEHIRWGHSJFAMC-ATIYNZHBSA-N 3 1 406.618 3.829 20 0 HHADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)N2CCc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000444598090 986784806 /nfs/dbraw/zinc/78/48/06/986784806.db2.gz OKKGEZUIGBAZIS-PXDATVDWSA-N 2 1 405.586 3.946 20 0 HHADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)N2CCc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000444598090 986784819 /nfs/dbraw/zinc/78/48/19/986784819.db2.gz OKKGEZUIGBAZIS-PXDATVDWSA-N 2 1 405.586 3.946 20 0 HHADMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)N2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000444598090 986784831 /nfs/dbraw/zinc/78/48/31/986784831.db2.gz OKKGEZUIGBAZIS-PXDATVDWSA-N 2 1 405.586 3.946 20 0 HHADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)N2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000444598090 986784835 /nfs/dbraw/zinc/78/48/35/986784835.db2.gz OKKGEZUIGBAZIS-PXDATVDWSA-N 2 1 405.586 3.946 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000469116016 986832235 /nfs/dbraw/zinc/83/22/35/986832235.db2.gz YTHQXWSJCZCGDE-UXLLHSPISA-N 2 1 403.477 3.682 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000469116016 986832249 /nfs/dbraw/zinc/83/22/49/986832249.db2.gz YTHQXWSJCZCGDE-UXLLHSPISA-N 2 1 403.477 3.682 20 0 HHADMP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000444782863 986938771 /nfs/dbraw/zinc/93/87/71/986938771.db2.gz RMPNSPLANKWELR-VQTJNVASSA-N 2 1 407.480 3.997 20 0 HHADMP CC(C)c1ccccc1S(=O)(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000469361165 987060390 /nfs/dbraw/zinc/06/03/90/987060390.db2.gz QIRPEJACUSENTI-UHFFFAOYSA-N 2 1 421.651 3.627 20 0 HHADMP CCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000469485710 987166577 /nfs/dbraw/zinc/16/65/77/987166577.db2.gz JZUWHXJCCNEPIK-LJQANCHMSA-N 2 1 401.599 3.565 20 0 HHADMP CCCN(C(=O)c1cccc(C[NH+](C)C)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000469486759 987167120 /nfs/dbraw/zinc/16/71/20/987167120.db2.gz YOSLYANXAFUXNI-UHFFFAOYSA-N 2 1 409.578 3.676 20 0 HHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000469567348 987236231 /nfs/dbraw/zinc/23/62/31/987236231.db2.gz RGGJNHXSJDDKDE-XMMPIXPASA-N 2 1 423.605 3.754 20 0 HHADMP C[C@H]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C[N@@H+]1Cc1ccccc1 ZINC000469580788 987247250 /nfs/dbraw/zinc/24/72/50/987247250.db2.gz OMJHAHMQBVHKAC-RDJZCZTQSA-N 2 1 411.456 3.598 20 0 HHADMP C[C@H]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C[N@H+]1Cc1ccccc1 ZINC000469580788 987247255 /nfs/dbraw/zinc/24/72/55/987247255.db2.gz OMJHAHMQBVHKAC-RDJZCZTQSA-N 2 1 411.456 3.598 20 0 HHADMP COc1ccc2c(c1)CCCN2C(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000469783025 987429176 /nfs/dbraw/zinc/42/91/76/987429176.db2.gz IRRZKOUUOXRIIW-WOJBJXKFSA-N 2 1 421.585 3.721 20 0 HHADMP CCCOc1ccc(CNC(=O)C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000469786830 987431975 /nfs/dbraw/zinc/43/19/75/987431975.db2.gz LOPBORDJXJPTCC-SFTDATJTSA-N 2 1 423.601 3.838 20 0 HHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470278174 988232229 /nfs/dbraw/zinc/23/22/29/988232229.db2.gz DBWPAVZEZMZTNC-CEXWTWQISA-N 2 1 412.500 3.576 20 0 HHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470281506 988236332 /nfs/dbraw/zinc/23/63/32/988236332.db2.gz YJUKZMQLBHQPPF-RBUKOAKNSA-N 2 1 414.516 3.824 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1 ZINC000470287010 988243751 /nfs/dbraw/zinc/24/37/51/988243751.db2.gz XUNASMJNLPZOTK-QFBILLFUSA-N 2 1 414.516 3.585 20 0 HHADMP CN(C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470737998 988773573 /nfs/dbraw/zinc/77/35/73/988773573.db2.gz RSBXVYPWAVAJSW-SFTDATJTSA-N 2 1 400.592 3.657 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H](C[NH+](C)CC4CC4)C3)cc2)C1 ZINC000470738016 988774980 /nfs/dbraw/zinc/77/49/80/988774980.db2.gz RTUPOORHIKECDX-HYBUGGRVSA-N 2 1 412.622 3.792 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CC[C@H](C[N@H+](C)CC4CC4)C3)cc2)C1 ZINC000470738016 988774991 /nfs/dbraw/zinc/77/49/91/988774991.db2.gz RTUPOORHIKECDX-HYBUGGRVSA-N 2 1 412.622 3.792 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CC[C@H](C[N@@H+](C)CC4CC4)C3)cc2)C1 ZINC000470738016 988775005 /nfs/dbraw/zinc/77/50/05/988775005.db2.gz RTUPOORHIKECDX-HYBUGGRVSA-N 2 1 412.622 3.792 20 0 HHADMP CN(C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470746101 988785516 /nfs/dbraw/zinc/78/55/16/988785516.db2.gz NBRJZGGTDAKGQS-BJKOFHAPSA-N 2 1 406.574 3.567 20 0 HHADMP CN(C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470746101 988785523 /nfs/dbraw/zinc/78/55/23/988785523.db2.gz NBRJZGGTDAKGQS-BJKOFHAPSA-N 2 1 406.574 3.567 20 0 HHADMP CN(C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470746101 988785533 /nfs/dbraw/zinc/78/55/33/988785533.db2.gz NBRJZGGTDAKGQS-BJKOFHAPSA-N 2 1 406.574 3.567 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)cc2)C1 ZINC000470748425 988789706 /nfs/dbraw/zinc/78/97/06/988789706.db2.gz WNNWFYUNFHKNQT-IMSXRSKXSA-N 2 1 412.622 3.792 20 0 HHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000470752815 988794456 /nfs/dbraw/zinc/79/44/56/988794456.db2.gz BQLXWJGJOHJKSV-QFIPXVFZSA-N 2 1 412.622 3.792 20 0 HHADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000464670415 988868447 /nfs/dbraw/zinc/86/84/47/988868447.db2.gz MNAKUFGULQQFHJ-FPOVZHCZSA-N 2 1 411.512 3.631 20 0 HHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCOc2cccc(I)c2)C1 ZINC000464770626 988994057 /nfs/dbraw/zinc/99/40/57/988994057.db2.gz CGJPLNKHVPRPNP-MRXNPFEDSA-N 2 1 416.347 3.724 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCC[C@H](C)C2)C1 ZINC000464824057 989061565 /nfs/dbraw/zinc/06/15/65/989061565.db2.gz SCFQOOYARLLSLM-SFTDATJTSA-N 2 1 400.611 3.696 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000464824057 989061576 /nfs/dbraw/zinc/06/15/76/989061576.db2.gz SCFQOOYARLLSLM-SFTDATJTSA-N 2 1 400.611 3.696 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)C1 ZINC000464824057 989061588 /nfs/dbraw/zinc/06/15/88/989061588.db2.gz SCFQOOYARLLSLM-SFTDATJTSA-N 2 1 400.611 3.696 20 0 HHADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C1 ZINC000464958314 989257816 /nfs/dbraw/zinc/25/78/16/989257816.db2.gz ZQXPOPSDYPILSH-FQEVSTJZSA-N 2 1 412.578 3.689 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C1 ZINC000464958314 989257830 /nfs/dbraw/zinc/25/78/30/989257830.db2.gz ZQXPOPSDYPILSH-FQEVSTJZSA-N 2 1 412.578 3.689 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C1 ZINC000464958314 989257843 /nfs/dbraw/zinc/25/78/43/989257843.db2.gz ZQXPOPSDYPILSH-FQEVSTJZSA-N 2 1 412.578 3.689 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000464958314 989257861 /nfs/dbraw/zinc/25/78/61/989257861.db2.gz ZQXPOPSDYPILSH-FQEVSTJZSA-N 2 1 412.578 3.689 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC000465019131 989339537 /nfs/dbraw/zinc/33/95/37/989339537.db2.gz ZPIZKAUSYBVHGQ-UKILVPOCSA-N 2 1 412.622 3.662 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000465019131 989339546 /nfs/dbraw/zinc/33/95/46/989339546.db2.gz ZPIZKAUSYBVHGQ-UKILVPOCSA-N 2 1 412.622 3.662 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000465019131 989339554 /nfs/dbraw/zinc/33/95/54/989339554.db2.gz ZPIZKAUSYBVHGQ-UKILVPOCSA-N 2 1 412.622 3.662 20 0 HHADMP C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000471217706 989360751 /nfs/dbraw/zinc/36/07/51/989360751.db2.gz BHEXYYCCFGYKHF-GOSISDBHSA-N 2 1 415.528 3.986 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000471377699 989554569 /nfs/dbraw/zinc/55/45/69/989554569.db2.gz YCUKRTBFZUNBCV-JXKFMYIUSA-N 2 1 424.589 3.872 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471496057 989694025 /nfs/dbraw/zinc/69/40/25/989694025.db2.gz KONGDWHMWJCOOW-UPVQGACJSA-N 2 1 406.574 3.645 20 0 HHADMP CC[C@@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471564028 989765058 /nfs/dbraw/zinc/76/50/58/989765058.db2.gz RANRYZUIPFSCRX-DHIUTWEWSA-N 2 1 410.562 3.549 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000465419435 989765125 /nfs/dbraw/zinc/76/51/25/989765125.db2.gz FUFMKLCQWSDIFG-JWQCQUIFSA-N 2 1 422.617 3.713 20 0 HHADMP CC[C@@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471564028 989765066 /nfs/dbraw/zinc/76/50/66/989765066.db2.gz RANRYZUIPFSCRX-DHIUTWEWSA-N 2 1 410.562 3.549 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000465425253 989769763 /nfs/dbraw/zinc/76/97/63/989769763.db2.gz BETLSWHVHASNNA-VQTJNVASSA-N 2 1 406.640 3.894 20 0 HHADMP C[C@H]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000465431592 989776474 /nfs/dbraw/zinc/77/64/74/989776474.db2.gz KINOKFUKQUYFHD-XUZZJYLKSA-N 2 1 406.574 3.567 20 0 HHADMP C[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000465431592 989776482 /nfs/dbraw/zinc/77/64/82/989776482.db2.gz KINOKFUKQUYFHD-XUZZJYLKSA-N 2 1 406.574 3.567 20 0 HHADMP C[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000465431592 989776491 /nfs/dbraw/zinc/77/64/91/989776491.db2.gz KINOKFUKQUYFHD-XUZZJYLKSA-N 2 1 406.574 3.567 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cccc(F)c1 ZINC000465436233 989781404 /nfs/dbraw/zinc/78/14/04/989781404.db2.gz VDNNLCITTCDJBT-DSKINZAPSA-N 2 1 418.582 3.872 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)c2)CC1 ZINC000471632586 989840028 /nfs/dbraw/zinc/84/00/28/989840028.db2.gz BXPNYOWZTLZFSU-HSZRJFAPSA-N 2 1 410.537 3.571 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccc(F)cc3)c2)CC1 ZINC000471632586 989840044 /nfs/dbraw/zinc/84/00/44/989840044.db2.gz BXPNYOWZTLZFSU-HSZRJFAPSA-N 2 1 410.537 3.571 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1cccc(OC)c1 ZINC000465491655 989839988 /nfs/dbraw/zinc/83/99/88/989839988.db2.gz VCKBLSUAHDTAHA-RBBKRZOGSA-N 2 1 404.599 3.594 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)c2)CC1 ZINC000471661973 989866609 /nfs/dbraw/zinc/86/66/09/989866609.db2.gz IPSYLKFDIQQPAB-JOCHJYFZSA-N 2 1 406.574 3.679 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000465523129 989877072 /nfs/dbraw/zinc/87/70/72/989877072.db2.gz KRZVYHQSYZAQNV-WOJBJXKFSA-N 2 1 411.594 3.949 20 0 HHADMP C[C@H]1CCN(C(=O)NCCC[NH+]2CCc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000465524824 989881128 /nfs/dbraw/zinc/88/11/28/989881128.db2.gz DIFNXVMKHFLYAF-QFIPXVFZSA-N 2 1 420.601 3.741 20 0 HHADMP C[C@H]1CCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000465524824 989881136 /nfs/dbraw/zinc/88/11/36/989881136.db2.gz DIFNXVMKHFLYAF-QFIPXVFZSA-N 2 1 420.601 3.741 20 0 HHADMP C[C@H]1CCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000465524824 989881143 /nfs/dbraw/zinc/88/11/43/989881143.db2.gz DIFNXVMKHFLYAF-QFIPXVFZSA-N 2 1 420.601 3.741 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000471683399 989887766 /nfs/dbraw/zinc/88/77/66/989887766.db2.gz UAALANZSXBTTMO-QFIPXVFZSA-N 2 1 424.564 3.611 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccsc1 ZINC000465533147 989894051 /nfs/dbraw/zinc/89/40/51/989894051.db2.gz JFWPFHVLYBFUBG-SUMDDJOVSA-N 2 1 406.621 3.795 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000465534234 989895684 /nfs/dbraw/zinc/89/56/84/989895684.db2.gz PDGILSKUPZAVLE-LVZYQIDLSA-N 2 1 412.622 3.979 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000465549528 989913261 /nfs/dbraw/zinc/91/32/61/989913261.db2.gz SFIHDRYOXYSDPX-WPFOTENUSA-N 2 1 414.638 3.908 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000465574610 989942933 /nfs/dbraw/zinc/94/29/33/989942933.db2.gz RBGFKQQNDSLAOV-FQEVSTJZSA-N 2 1 400.611 3.840 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000465598372 989978964 /nfs/dbraw/zinc/97/89/64/989978964.db2.gz MQRRYENEWYBMCJ-DEOSSOPVSA-N 2 1 408.590 3.672 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000465598372 989978975 /nfs/dbraw/zinc/97/89/75/989978975.db2.gz MQRRYENEWYBMCJ-DEOSSOPVSA-N 2 1 408.590 3.672 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000465598372 989978996 /nfs/dbraw/zinc/97/89/96/989978996.db2.gz MQRRYENEWYBMCJ-DEOSSOPVSA-N 2 1 408.590 3.672 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000465694793 990081202 /nfs/dbraw/zinc/08/12/02/990081202.db2.gz QHHHVTIVMGAXBP-RPBOFIJWSA-N 2 1 420.601 3.815 20 0 HHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000465694793 990081210 /nfs/dbraw/zinc/08/12/10/990081210.db2.gz QHHHVTIVMGAXBP-RPBOFIJWSA-N 2 1 420.601 3.815 20 0 HHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000465694793 990081221 /nfs/dbraw/zinc/08/12/21/990081221.db2.gz QHHHVTIVMGAXBP-RPBOFIJWSA-N 2 1 420.601 3.815 20 0 HHADMP CC[C@H](OC1CCCCC1)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000471927209 990093317 /nfs/dbraw/zinc/09/33/17/990093317.db2.gz ALWFBIZHBCABNS-QHCPKHFHSA-N 2 1 407.643 3.769 20 0 HHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465737787 990123477 /nfs/dbraw/zinc/12/34/77/990123477.db2.gz OIBZSXPSSFKXNJ-ADYITMSISA-N 2 1 400.611 3.516 20 0 HHADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000465737787 990123480 /nfs/dbraw/zinc/12/34/80/990123480.db2.gz OIBZSXPSSFKXNJ-ADYITMSISA-N 2 1 400.611 3.516 20 0 HHADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000465737787 990123485 /nfs/dbraw/zinc/12/34/85/990123485.db2.gz OIBZSXPSSFKXNJ-ADYITMSISA-N 2 1 400.611 3.516 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cc(C)cc2c(C)c(C)[nH]c21 ZINC000465784731 990167027 /nfs/dbraw/zinc/16/70/27/990167027.db2.gz JGQAFAVEFYFLHD-NRFANRHFSA-N 2 1 413.610 3.651 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)c1ccco1 ZINC000465816777 990200110 /nfs/dbraw/zinc/20/01/10/990200110.db2.gz QOMPIPPTCAWZJW-UNMCSNQZSA-N 2 1 412.578 3.969 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000465823519 990206937 /nfs/dbraw/zinc/20/69/37/990206937.db2.gz XWGXCSGALFCTEI-VXKWHMMOSA-N 2 1 412.578 3.826 20 0 HHADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000472047166 990215556 /nfs/dbraw/zinc/21/55/56/990215556.db2.gz DQSUPEPCMDYWMN-JLAWEPINSA-N 2 1 418.548 3.601 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)NC[C@@H]3CCC[N@@H+]3CC3CCCCC3)CC2)[nH+]c1 ZINC000465864300 990976971 /nfs/dbraw/zinc/97/69/71/990976971.db2.gz HOLGHBDDYJAXIU-QFIPXVFZSA-N 2 1 413.610 3.703 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)NC[C@@H]3CCC[N@H+]3CC3CCCCC3)CC2)[nH+]c1 ZINC000465864300 990976981 /nfs/dbraw/zinc/97/69/81/990976981.db2.gz HOLGHBDDYJAXIU-QFIPXVFZSA-N 2 1 413.610 3.703 20 0 HHADMP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000465911925 991042466 /nfs/dbraw/zinc/04/24/66/991042466.db2.gz SIRLYFJKBKIPHD-BGYRXZFFSA-N 2 1 412.578 3.974 20 0 HHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000465911925 991042478 /nfs/dbraw/zinc/04/24/78/991042478.db2.gz SIRLYFJKBKIPHD-BGYRXZFFSA-N 2 1 412.578 3.974 20 0 HHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000465911925 991042490 /nfs/dbraw/zinc/04/24/90/991042490.db2.gz SIRLYFJKBKIPHD-BGYRXZFFSA-N 2 1 412.578 3.974 20 0 HHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000465911925 991042499 /nfs/dbraw/zinc/04/24/99/991042499.db2.gz SIRLYFJKBKIPHD-BGYRXZFFSA-N 2 1 412.578 3.974 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000465934610 991070482 /nfs/dbraw/zinc/07/04/82/991070482.db2.gz YCOMPYBRNOETQO-NRFANRHFSA-N 2 1 400.611 3.936 20 0 HHADMP CC1CC[NH+](Cc2cccc(CNC(=O)N(C)CC[C@@H]3CCCC[N@H+]3C)c2)CC1 ZINC000465943509 991083112 /nfs/dbraw/zinc/08/31/12/991083112.db2.gz PRIZYYMHSYBJKB-QHCPKHFHSA-N 2 1 400.611 3.934 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000465947965 991088160 /nfs/dbraw/zinc/08/81/60/991088160.db2.gz AOYYWAQPVLVNFX-NRFANRHFSA-N 2 1 410.562 3.728 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000465947965 991088168 /nfs/dbraw/zinc/08/81/68/991088168.db2.gz AOYYWAQPVLVNFX-NRFANRHFSA-N 2 1 410.562 3.728 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000465947965 991088177 /nfs/dbraw/zinc/08/81/77/991088177.db2.gz AOYYWAQPVLVNFX-NRFANRHFSA-N 2 1 410.562 3.728 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000465947965 991088184 /nfs/dbraw/zinc/08/81/84/991088184.db2.gz AOYYWAQPVLVNFX-NRFANRHFSA-N 2 1 410.562 3.728 20 0 HHADMP C[C@H]1C[C@H](NC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC[N@@H+]1C ZINC000466049556 991219468 /nfs/dbraw/zinc/21/94/68/991219468.db2.gz LDTXQDQXQSTVFO-NZQKXSOJSA-N 2 1 406.574 3.586 20 0 HHADMP C[C@H]1C[C@H](NC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC[N@H+]1C ZINC000466049556 991219480 /nfs/dbraw/zinc/21/94/80/991219480.db2.gz LDTXQDQXQSTVFO-NZQKXSOJSA-N 2 1 406.574 3.586 20 0 HHADMP C[C@H]1C[C@H](NC(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000466054387 991225973 /nfs/dbraw/zinc/22/59/73/991225973.db2.gz WSTFWYIRUIKWQM-DOTOQJQBSA-N 2 1 415.409 3.939 20 0 HHADMP C[NH+](C)CCOc1cccc(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000466097556 991275839 /nfs/dbraw/zinc/27/58/39/991275839.db2.gz HKDAGUGSKXQCMS-UTKZUKDTSA-N 2 1 416.591 3.893 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000466199559 991396949 /nfs/dbraw/zinc/39/69/49/991396949.db2.gz FDTYNGBGHCYSLR-YADARESESA-N 2 1 424.564 3.752 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000466224015 991442480 /nfs/dbraw/zinc/44/24/80/991442480.db2.gz YRHPQBYZZKGBLS-BWKNWUBXSA-N 2 1 420.601 3.656 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H]3CC[N@@H+](CC4CCCC4)C3)c(C)c2)CC1 ZINC000466285477 991533033 /nfs/dbraw/zinc/53/30/33/991533033.db2.gz FTCFTMWJWQLEON-OAQYLSRUSA-N 2 1 413.610 3.523 20 0 HHADMP CC[NH+](CC)CCOC1CC[NH+]([C@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000466747693 992055640 /nfs/dbraw/zinc/05/56/40/992055640.db2.gz MVZFHNUNGRQSFF-NRFANRHFSA-N 2 1 407.986 3.658 20 0 HHADMP COCC[C@@H]1CCCC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000467266016 992587801 /nfs/dbraw/zinc/58/78/01/992587801.db2.gz LTRBFPLGXLRYIP-UGKGYDQZSA-N 2 1 422.013 3.732 20 0 HHADMP COCC[C@@H]1CCCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000467266016 992587807 /nfs/dbraw/zinc/58/78/07/992587807.db2.gz LTRBFPLGXLRYIP-UGKGYDQZSA-N 2 1 422.013 3.732 20 0 HHADMP C[NH+](C)C1(C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CCOCC1 ZINC000467425198 992724916 /nfs/dbraw/zinc/72/49/16/992724916.db2.gz YIKABLBBCYQZGO-LJQANCHMSA-N 2 1 411.384 3.617 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467836766 993068186 /nfs/dbraw/zinc/06/81/86/993068186.db2.gz RKYNDBSZWWGFGW-SFHVURJKSA-N 2 1 403.592 3.628 20 0 HHADMP C[C@H](NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467856403 993087618 /nfs/dbraw/zinc/08/76/18/993087618.db2.gz YPPQUYKTFDASQC-CDXJDZJCSA-N 2 1 421.632 3.732 20 0 HHADMP C[C@H](NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467856403 993087625 /nfs/dbraw/zinc/08/76/25/993087625.db2.gz YPPQUYKTFDASQC-CDXJDZJCSA-N 2 1 421.632 3.732 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472319211 993330404 /nfs/dbraw/zinc/33/04/04/993330404.db2.gz UHVNQOKJJACOEK-JWQCQUIFSA-N 2 1 420.601 3.672 20 0 HHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472319211 993330420 /nfs/dbraw/zinc/33/04/20/993330420.db2.gz UHVNQOKJJACOEK-JWQCQUIFSA-N 2 1 420.601 3.672 20 0 HHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472319211 993330427 /nfs/dbraw/zinc/33/04/27/993330427.db2.gz UHVNQOKJJACOEK-JWQCQUIFSA-N 2 1 420.601 3.672 20 0 HHADMP O[C@@H](COc1cccc2[nH]ccc21)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472584933 993548177 /nfs/dbraw/zinc/54/81/77/993548177.db2.gz YJNBJSRBPJEZQZ-ATIYNZHBSA-N 2 1 419.569 3.896 20 0 HHADMP O[C@@H](COc1cccc2[nH]ccc21)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472584933 993548183 /nfs/dbraw/zinc/54/81/83/993548183.db2.gz YJNBJSRBPJEZQZ-ATIYNZHBSA-N 2 1 419.569 3.896 20 0 HHADMP O[C@@H](COc1cccc2[nH]ccc21)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000472584933 993548184 /nfs/dbraw/zinc/54/81/84/993548184.db2.gz YJNBJSRBPJEZQZ-ATIYNZHBSA-N 2 1 419.569 3.896 20 0 HHADMP O[C@@H](COc1cccc2[nH]ccc21)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000472584933 993548188 /nfs/dbraw/zinc/54/81/88/993548188.db2.gz YJNBJSRBPJEZQZ-ATIYNZHBSA-N 2 1 419.569 3.896 20 0 HHADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000472754756 993691195 /nfs/dbraw/zinc/69/11/95/993691195.db2.gz WEJDCLAQGPVVIZ-NRFANRHFSA-N 2 1 423.605 3.779 20 0 HHADMP CC[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1cccc(OC)c1 ZINC000480895950 993754598 /nfs/dbraw/zinc/75/45/98/993754598.db2.gz AIHLMNZUWSSPRI-QHCPKHFHSA-N 2 1 411.546 3.597 20 0 HHADMP CC[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccc(OC)cc1 ZINC000480913304 993768866 /nfs/dbraw/zinc/76/88/66/993768866.db2.gz WURSOEBSXXGXAY-HSZRJFAPSA-N 2 1 411.546 3.597 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000481038215 993882486 /nfs/dbraw/zinc/88/24/86/993882486.db2.gz LXXLZAIUCJAWAL-NPPFBWRTSA-N 2 1 401.576 3.619 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000481038215 993882497 /nfs/dbraw/zinc/88/24/97/993882497.db2.gz LXXLZAIUCJAWAL-NPPFBWRTSA-N 2 1 401.576 3.619 20 0 HHADMP CC(C)OCc1cccc(CNC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481177318 994007479 /nfs/dbraw/zinc/00/74/79/994007479.db2.gz UFNWZVILDNOXSF-SQJMNOBHSA-N 2 1 423.601 3.728 20 0 HHADMP CC(C)OCc1cccc(CNC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481177318 994007485 /nfs/dbraw/zinc/00/74/85/994007485.db2.gz UFNWZVILDNOXSF-SQJMNOBHSA-N 2 1 423.601 3.728 20 0 HHADMP CC(C)Oc1ccc(CCNC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481186324 994018555 /nfs/dbraw/zinc/01/85/55/994018555.db2.gz XURPMCXJMVLQPN-SQJMNOBHSA-N 2 1 423.601 3.633 20 0 HHADMP CC(C)Oc1ccc(CCNC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481186324 994018563 /nfs/dbraw/zinc/01/85/63/994018563.db2.gz XURPMCXJMVLQPN-SQJMNOBHSA-N 2 1 423.601 3.633 20 0 HHADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481188140 994020105 /nfs/dbraw/zinc/02/01/05/994020105.db2.gz HKMUWUFPZVYELM-YZZKKUAISA-N 2 1 415.528 3.512 20 0 HHADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481188140 994020116 /nfs/dbraw/zinc/02/01/16/994020116.db2.gz HKMUWUFPZVYELM-YZZKKUAISA-N 2 1 415.528 3.512 20 0 HHADMP CCCOc1cccc(CNC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481191257 994024787 /nfs/dbraw/zinc/02/47/87/994024787.db2.gz QHDOZHSLZYOGKA-YKSBVNFPSA-N 2 1 409.574 3.592 20 0 HHADMP CCCOc1cccc(CNC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481191257 994024795 /nfs/dbraw/zinc/02/47/95/994024795.db2.gz QHDOZHSLZYOGKA-YKSBVNFPSA-N 2 1 409.574 3.592 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000481198589 994032829 /nfs/dbraw/zinc/03/28/29/994032829.db2.gz OIJNYVVUMWBPCD-XXBNENTESA-N 2 1 416.569 3.553 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000481198589 994032837 /nfs/dbraw/zinc/03/28/37/994032837.db2.gz OIJNYVVUMWBPCD-XXBNENTESA-N 2 1 416.569 3.553 20 0 HHADMP COc1ccc(CN(C(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C2CC2)cc1 ZINC000481200361 994033347 /nfs/dbraw/zinc/03/33/47/994033347.db2.gz QGVQDOUKMXYONJ-CJFMBICVSA-N 2 1 421.585 3.686 20 0 HHADMP COc1ccc(CN(C(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C2CC2)cc1 ZINC000481200361 994033361 /nfs/dbraw/zinc/03/33/61/994033361.db2.gz QGVQDOUKMXYONJ-CJFMBICVSA-N 2 1 421.585 3.686 20 0 HHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)[C@@H](C)C1 ZINC000481308383 994125649 /nfs/dbraw/zinc/12/56/49/994125649.db2.gz LFMCLVYNIIQFMT-SQJMNOBHSA-N 2 1 422.617 3.871 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)[C@@H](C)C1 ZINC000481308383 994125656 /nfs/dbraw/zinc/12/56/56/994125656.db2.gz LFMCLVYNIIQFMT-SQJMNOBHSA-N 2 1 422.617 3.871 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cccc(N2CCOCC2)c1 ZINC000481558340 994392142 /nfs/dbraw/zinc/39/21/42/994392142.db2.gz QGHICKUOXFNZGY-NHCUHLMSSA-N 2 1 409.574 3.595 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cccc(N2CCOCC2)c1 ZINC000481558340 994392150 /nfs/dbraw/zinc/39/21/50/994392150.db2.gz QGHICKUOXFNZGY-NHCUHLMSSA-N 2 1 409.574 3.595 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481561856 994395974 /nfs/dbraw/zinc/39/59/74/994395974.db2.gz AZYRFEKMBSJBDA-NHCUHLMSSA-N 3 1 411.590 3.699 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481561856 994395981 /nfs/dbraw/zinc/39/59/81/994395981.db2.gz AZYRFEKMBSJBDA-NHCUHLMSSA-N 3 1 411.590 3.699 20 0 HHADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 ZINC000481927448 994800160 /nfs/dbraw/zinc/80/01/60/994800160.db2.gz RCGAQBWTYIYYNQ-SFHVURJKSA-N 2 1 408.608 3.554 20 0 HHADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 ZINC000481974553 994867858 /nfs/dbraw/zinc/86/78/58/994867858.db2.gz OYWNSXMRHJOWJH-SFHVURJKSA-N 2 1 419.591 3.673 20 0 HHADMP CC[C@@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000482002137 994904323 /nfs/dbraw/zinc/90/43/23/994904323.db2.gz ZXAWAAKVTZSCRO-CRAIPNDOSA-N 2 1 402.004 3.553 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000473962926 994943956 /nfs/dbraw/zinc/94/39/56/994943956.db2.gz HEORZWNXYJKURW-SKWRMQMOSA-N 2 1 400.611 3.563 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000473962926 994943963 /nfs/dbraw/zinc/94/39/63/994943963.db2.gz HEORZWNXYJKURW-SKWRMQMOSA-N 2 1 400.611 3.563 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000473962926 994943969 /nfs/dbraw/zinc/94/39/69/994943969.db2.gz HEORZWNXYJKURW-SKWRMQMOSA-N 2 1 400.611 3.563 20 0 HHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000482134354 995084709 /nfs/dbraw/zinc/08/47/09/995084709.db2.gz LOJLPGKCECOANF-ZWKOTPCHSA-N 2 1 421.632 3.561 20 0 HHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000482134354 995084715 /nfs/dbraw/zinc/08/47/15/995084715.db2.gz LOJLPGKCECOANF-ZWKOTPCHSA-N 2 1 421.632 3.561 20 0 HHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000482134353 995084759 /nfs/dbraw/zinc/08/47/59/995084759.db2.gz LOJLPGKCECOANF-ROUUACIJSA-N 2 1 421.632 3.561 20 0 HHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000482134353 995084768 /nfs/dbraw/zinc/08/47/68/995084768.db2.gz LOJLPGKCECOANF-ROUUACIJSA-N 2 1 421.632 3.561 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N[C@H](C)c2ccc3ccccc3c2)[C@H](C)C1 ZINC000482142889 995092964 /nfs/dbraw/zinc/09/29/64/995092964.db2.gz NPPZURPXADIRSC-REHUZNOOSA-N 2 1 411.590 3.744 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N[C@H](C)c2ccc3ccccc3c2)[C@H](C)C1 ZINC000482142889 995092974 /nfs/dbraw/zinc/09/29/74/995092974.db2.gz NPPZURPXADIRSC-REHUZNOOSA-N 2 1 411.590 3.744 20 0 HHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000482158091 995113569 /nfs/dbraw/zinc/11/35/69/995113569.db2.gz RFXOMUNQRBTIJW-VWPQPMDRSA-N 2 1 414.619 3.839 20 0 HHADMP COC(=O)c1ccc(Cl)c(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c1 ZINC000482243994 995224745 /nfs/dbraw/zinc/22/47/45/995224745.db2.gz PQQIFSRCQBCUDF-UHFFFAOYSA-N 2 1 405.926 3.733 20 0 HHADMP CC[C@@H]([NH2+]CCc1ccc(OCC[NH+]2CCN(C(C)=O)CC2)cc1)c1cccs1 ZINC000482245682 995226171 /nfs/dbraw/zinc/22/61/71/995226171.db2.gz OVPNLHDOTIGXKS-JOCHJYFZSA-N 2 1 415.603 3.574 20 0 HHADMP COc1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000482259858 995238130 /nfs/dbraw/zinc/23/81/30/995238130.db2.gz HLGAVRHRAZDWES-DEOSSOPVSA-N 2 1 410.558 3.962 20 0 HHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474295309 995286155 /nfs/dbraw/zinc/28/61/55/995286155.db2.gz CDJKKAPIUPQDKX-UGKGYDQZSA-N 2 1 415.578 3.880 20 0 HHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474295309 995286164 /nfs/dbraw/zinc/28/61/64/995286164.db2.gz CDJKKAPIUPQDKX-UGKGYDQZSA-N 2 1 415.578 3.880 20 0 HHADMP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474295309 995286170 /nfs/dbraw/zinc/28/61/70/995286170.db2.gz CDJKKAPIUPQDKX-UGKGYDQZSA-N 2 1 415.578 3.880 20 0 HHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474295309 995286181 /nfs/dbraw/zinc/28/61/81/995286181.db2.gz CDJKKAPIUPQDKX-UGKGYDQZSA-N 2 1 415.578 3.880 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000474525605 995491041 /nfs/dbraw/zinc/49/10/41/995491041.db2.gz RHUMYYMBKSIFEL-ONTIZHBOSA-N 2 1 400.611 3.516 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000474525606 995491171 /nfs/dbraw/zinc/49/11/71/995491171.db2.gz RHUMYYMBKSIFEL-PABCKOPISA-N 2 1 400.611 3.516 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000474525606 995491173 /nfs/dbraw/zinc/49/11/73/995491173.db2.gz RHUMYYMBKSIFEL-PABCKOPISA-N 2 1 400.611 3.516 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000474525606 995491179 /nfs/dbraw/zinc/49/11/79/995491179.db2.gz RHUMYYMBKSIFEL-PABCKOPISA-N 2 1 400.611 3.516 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)C1 ZINC000482532937 995540756 /nfs/dbraw/zinc/54/07/56/995540756.db2.gz LCVIACODOUUOII-AEFFLSMTSA-N 2 1 416.566 3.504 20 0 HHADMP COc1ccc(C[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2ccc(OC)cc2)cc1 ZINC000482570375 995575876 /nfs/dbraw/zinc/57/58/76/995575876.db2.gz VZMZNNNSSNULMN-VWLOTQADSA-N 2 1 411.590 3.605 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000474634050 995580481 /nfs/dbraw/zinc/58/04/81/995580481.db2.gz LFJMODYHQFACJM-MEZULJMPSA-N 2 1 420.548 3.805 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000474634050 995580491 /nfs/dbraw/zinc/58/04/91/995580491.db2.gz LFJMODYHQFACJM-MEZULJMPSA-N 2 1 420.548 3.805 20 0 HHADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482633344 995627385 /nfs/dbraw/zinc/62/73/85/995627385.db2.gz QHTHYRFSUVYDTR-VWNXMTODSA-N 2 1 411.565 3.880 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cnc2ccsc2c1 ZINC000482635702 995630000 /nfs/dbraw/zinc/63/00/00/995630000.db2.gz VTZTWMMASDBBBR-LPHOPBHVSA-N 2 1 408.571 3.844 20 0 HHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000474714294 995652711 /nfs/dbraw/zinc/65/27/11/995652711.db2.gz MYXIBVOAPDBAOL-UHFFFAOYSA-N 2 1 400.394 3.848 20 0 HHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000474719956 995657303 /nfs/dbraw/zinc/65/73/03/995657303.db2.gz OFNULHVLXKSKBZ-SELNLUPBSA-N 2 1 409.574 3.674 20 0 HHADMP Cc1cccc(C[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C2CC2)c1 ZINC000482816973 995768947 /nfs/dbraw/zinc/76/89/47/995768947.db2.gz CTBBJDUDUHKNNC-DQEYMECFSA-N 2 1 405.586 3.803 20 0 HHADMP Cc1ccc(C[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C2CC2)cc1 ZINC000482821842 995772422 /nfs/dbraw/zinc/77/24/22/995772422.db2.gz LMVKCMJSUOZFLP-DQEYMECFSA-N 2 1 405.586 3.803 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000482837317 995782277 /nfs/dbraw/zinc/78/22/77/995782277.db2.gz JFLPRGGTXVSZRN-SMIHKQSGSA-N 2 1 412.622 3.660 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000482837317 995782283 /nfs/dbraw/zinc/78/22/83/995782283.db2.gz JFLPRGGTXVSZRN-SMIHKQSGSA-N 2 1 412.622 3.660 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000482837317 995782291 /nfs/dbraw/zinc/78/22/91/995782291.db2.gz JFLPRGGTXVSZRN-SMIHKQSGSA-N 2 1 412.622 3.660 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475139363 995947781 /nfs/dbraw/zinc/94/77/81/995947781.db2.gz XLTVNMACEWAVPL-DEOSSOPVSA-N 2 1 408.590 3.943 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475139363 995947792 /nfs/dbraw/zinc/94/77/92/995947792.db2.gz XLTVNMACEWAVPL-DEOSSOPVSA-N 2 1 408.590 3.943 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475139363 995947796 /nfs/dbraw/zinc/94/77/96/995947796.db2.gz XLTVNMACEWAVPL-DEOSSOPVSA-N 2 1 408.590 3.943 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)[C@@H](C)C1 ZINC000483143957 996000453 /nfs/dbraw/zinc/00/04/53/996000453.db2.gz YUCHTCXOJUQFEL-FIKGOQFSSA-N 2 1 405.974 3.708 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)[C@@H](C)C1 ZINC000483143957 996000457 /nfs/dbraw/zinc/00/04/57/996000457.db2.gz YUCHTCXOJUQFEL-FIKGOQFSSA-N 2 1 405.974 3.708 20 0 HHADMP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483199150 996033032 /nfs/dbraw/zinc/03/30/32/996033032.db2.gz RUCTWECZWSOTIB-FQEVSTJZSA-N 2 1 401.620 3.871 20 0 HHADMP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475278688 996041299 /nfs/dbraw/zinc/04/12/99/996041299.db2.gz JJJPVMNBOFWTDD-RBBKRZOGSA-N 2 1 419.569 3.953 20 0 HHADMP C[NH+]1CCC2(CC1)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C3CCCCC3)C1)c1ccccc1O2 ZINC000483221346 996045392 /nfs/dbraw/zinc/04/53/92/996045392.db2.gz ZIRUWPSNNDMYMM-DENIHFKCSA-N 2 1 411.590 3.745 20 0 HHADMP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000475360119 996089098 /nfs/dbraw/zinc/08/90/98/996089098.db2.gz GICGAFYHUNJRDJ-UHFFFAOYSA-N 2 1 410.606 3.701 20 0 HHADMP C[C@H](c1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1)[NH+]1CCOCC1 ZINC000483336650 996106814 /nfs/dbraw/zinc/10/68/14/996106814.db2.gz FUPPAPUDWSQTMP-LJQANCHMSA-N 2 1 400.567 3.562 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000483417582 996165392 /nfs/dbraw/zinc/16/53/92/996165392.db2.gz YMJCICFVKHUWBG-RXFWQSSRSA-N 2 1 423.576 3.958 20 0 HHADMP O=C([C@@H]1CC[N@@H+]1Cc1ccccc1)N1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483562982 996252368 /nfs/dbraw/zinc/25/23/68/996252368.db2.gz PTQKLZHQPJNOJX-SDHSZQHLSA-N 2 1 403.570 3.774 20 0 HHADMP O=C([C@@H]1CC[N@H+]1Cc1ccccc1)N1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483562982 996252375 /nfs/dbraw/zinc/25/23/75/996252375.db2.gz PTQKLZHQPJNOJX-SDHSZQHLSA-N 2 1 403.570 3.774 20 0 HHADMP O=C([C@@H]1CC[NH+]1Cc1ccccc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483562982 996252380 /nfs/dbraw/zinc/25/23/80/996252380.db2.gz PTQKLZHQPJNOJX-SDHSZQHLSA-N 2 1 403.570 3.774 20 0 HHADMP O=C([C@@H]1CC[NH+]1Cc1ccccc1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483562982 996252385 /nfs/dbraw/zinc/25/23/85/996252385.db2.gz PTQKLZHQPJNOJX-SDHSZQHLSA-N 2 1 403.570 3.774 20 0 HHADMP C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000483627393 996295156 /nfs/dbraw/zinc/29/51/56/996295156.db2.gz VGPBWIIBOYAGQS-MGPUTAFESA-N 2 1 409.496 3.831 20 0 HHADMP C[NH+](C)CCCC1CCN(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000483680698 996325480 /nfs/dbraw/zinc/32/54/80/996325480.db2.gz JKURKYHQZKXGKE-QHCPKHFHSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000483713052 996344418 /nfs/dbraw/zinc/34/44/18/996344418.db2.gz LZOZGSOGNQPCMX-LVCYWYKZSA-N 2 1 407.624 3.821 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000483713052 996344420 /nfs/dbraw/zinc/34/44/20/996344420.db2.gz LZOZGSOGNQPCMX-LVCYWYKZSA-N 2 1 407.624 3.821 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000483991962 996510003 /nfs/dbraw/zinc/51/00/03/996510003.db2.gz GRUXDRIWISEKAE-QFIPXVFZSA-N 2 1 412.622 3.947 20 0 HHADMP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000476010188 996539684 /nfs/dbraw/zinc/53/96/84/996539684.db2.gz JITSQGOKUCBDOB-UHFFFAOYSA-N 2 1 416.585 3.840 20 0 HHADMP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000476010188 996539692 /nfs/dbraw/zinc/53/96/92/996539692.db2.gz JITSQGOKUCBDOB-UHFFFAOYSA-N 2 1 416.585 3.840 20 0 HHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(OCc4nccn4C)cc3)CC2)nc(C)[nH+]1 ZINC000484274445 996672418 /nfs/dbraw/zinc/67/24/18/996672418.db2.gz FAWXVLWOMFIJKY-GOSISDBHSA-N 2 1 420.561 3.726 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000484483045 996804319 /nfs/dbraw/zinc/80/43/19/996804319.db2.gz LGMQLXONEWKNEL-QFQXNSOFSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000484483045 996804326 /nfs/dbraw/zinc/80/43/26/996804326.db2.gz LGMQLXONEWKNEL-QFQXNSOFSA-N 2 1 407.602 3.644 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000484509378 996838905 /nfs/dbraw/zinc/83/89/05/996838905.db2.gz ZKEUHDTXXMZYCL-SDUSCBPUSA-N 2 1 405.586 3.720 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000484509378 996838914 /nfs/dbraw/zinc/83/89/14/996838914.db2.gz ZKEUHDTXXMZYCL-SDUSCBPUSA-N 2 1 405.586 3.720 20 0 HHADMP CCN(CC[NH+]1CCCCCC1)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000484787360 997137165 /nfs/dbraw/zinc/13/71/65/997137165.db2.gz PVVJYRXQCXNXPZ-UHFFFAOYSA-N 2 1 422.564 3.837 20 0 HHADMP COc1cccc([C@H](CNC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)[NH+]2CCCC2)c1 ZINC000476624014 997143599 /nfs/dbraw/zinc/14/35/99/997143599.db2.gz HZCOJVPRTFKCRQ-YKSBVNFPSA-N 2 1 424.589 3.652 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C[C@@H]1C ZINC000485016567 997381723 /nfs/dbraw/zinc/38/17/23/997381723.db2.gz KNAWDDVSJRMYEZ-RXVVDRJESA-N 2 1 404.624 3.614 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C[C@@H]1C ZINC000485016564 997381923 /nfs/dbraw/zinc/38/19/23/997381923.db2.gz KNAWDDVSJRMYEZ-GHTZIAJQSA-N 2 1 404.624 3.614 20 0 HHADMP CC(=O)c1cccc(OC[C@@H](O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC000476986361 997610580 /nfs/dbraw/zinc/61/05/80/997610580.db2.gz PLPAPCCHJRMYJJ-XXBNENTESA-N 2 1 402.579 3.605 20 0 HHADMP COc1cccc(CNC(=O)[C@@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000476990989 997616725 /nfs/dbraw/zinc/61/67/25/997616725.db2.gz XZCJSCWRSQJBLJ-VQTJNVASSA-N 2 1 401.595 3.676 20 0 HHADMP Nc1ccc(F)c(NC(=O)CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000485343554 997763060 /nfs/dbraw/zinc/76/30/60/997763060.db2.gz HOICMOQHWZJXQJ-XXBNENTESA-N 2 1 410.537 3.723 20 0 HHADMP Nc1ccc(F)c(NC(=O)CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000485343554 997763069 /nfs/dbraw/zinc/76/30/69/997763069.db2.gz HOICMOQHWZJXQJ-XXBNENTESA-N 2 1 410.537 3.723 20 0 HHADMP Nc1ccc(F)c(NC(=O)CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000485343554 997763075 /nfs/dbraw/zinc/76/30/75/997763075.db2.gz HOICMOQHWZJXQJ-XXBNENTESA-N 2 1 410.537 3.723 20 0 HHADMP C[C@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485385763 997813759 /nfs/dbraw/zinc/81/37/59/997813759.db2.gz OJIAKAHBLNPHHV-CUWPLCDZSA-N 2 1 400.592 3.561 20 0 HHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000485397706 997826112 /nfs/dbraw/zinc/82/61/12/997826112.db2.gz BHUQNQDVNQAAPV-FDDCHVKYSA-N 2 1 418.528 3.705 20 0 HHADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000485397706 997826120 /nfs/dbraw/zinc/82/61/20/997826120.db2.gz BHUQNQDVNQAAPV-FDDCHVKYSA-N 2 1 418.528 3.705 20 0 HHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000485397706 997826128 /nfs/dbraw/zinc/82/61/28/997826128.db2.gz BHUQNQDVNQAAPV-FDDCHVKYSA-N 2 1 418.528 3.705 20 0 HHADMP C[C@H](NC(=O)NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000485399171 997829266 /nfs/dbraw/zinc/82/92/66/997829266.db2.gz FZBFZFFPJBXAFO-XUZZJYLKSA-N 2 1 420.601 3.645 20 0 HHADMP C[C@H](NC(=O)NCCC[NH+]1CCc2ccccc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485399171 997829282 /nfs/dbraw/zinc/82/92/82/997829282.db2.gz FZBFZFFPJBXAFO-XUZZJYLKSA-N 2 1 420.601 3.645 20 0 HHADMP C[C@H](NC(=O)NCCC[NH+]1CCc2ccccc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485399171 997829311 /nfs/dbraw/zinc/82/93/11/997829311.db2.gz FZBFZFFPJBXAFO-XUZZJYLKSA-N 2 1 420.601 3.645 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccco1 ZINC000485465737 997911128 /nfs/dbraw/zinc/91/11/28/997911128.db2.gz NQFXTMWXFVBHEA-BHDDXSALSA-N 2 1 410.562 3.578 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccco1 ZINC000485465737 997911135 /nfs/dbraw/zinc/91/11/35/997911135.db2.gz NQFXTMWXFVBHEA-BHDDXSALSA-N 2 1 410.562 3.578 20 0 HHADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NCC3CC[NH+](Cc4ccccc4Cl)CC3)CC[C@@H]21 ZINC000485602085 998049198 /nfs/dbraw/zinc/04/91/98/998049198.db2.gz QCJYIKFJOSANML-IRLDBZIGSA-N 2 1 419.013 3.678 20 0 HHADMP C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@H](C[NH+]3CCc4ccccc4C3)C(C)(C)C)CC[C@@H]21 ZINC000485775297 998249811 /nfs/dbraw/zinc/24/98/11/998249811.db2.gz RVLROIHZFMYQIO-XPWALMASSA-N 2 1 412.622 3.585 20 0 HHADMP C[NH+]1CCC[C@@H]2CN(C(=O)N[C@H](C[N@@H+]3CCc4ccccc4C3)C(C)(C)C)CC[C@@H]21 ZINC000485775297 998249824 /nfs/dbraw/zinc/24/98/24/998249824.db2.gz RVLROIHZFMYQIO-XPWALMASSA-N 2 1 412.622 3.585 20 0 HHADMP C[NH+]1CCC[C@@H]2CN(C(=O)N[C@H](C[N@H+]3CCc4ccccc4C3)C(C)(C)C)CC[C@@H]21 ZINC000485775297 998249839 /nfs/dbraw/zinc/24/98/39/998249839.db2.gz RVLROIHZFMYQIO-XPWALMASSA-N 2 1 412.622 3.585 20 0 HHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@@H](C)c2ccc3ncsc3c2)CC1 ZINC000485818401 998284804 /nfs/dbraw/zinc/28/48/04/998284804.db2.gz VTTRVEUQBOTRHI-IBGZPJMESA-N 2 1 422.598 3.990 20 0 HHADMP CC(C)[C@H]1OCCC[C@H]1Nc1nc(N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc[nH+]1 ZINC000485987475 998430473 /nfs/dbraw/zinc/43/04/73/998430473.db2.gz YQDVELGIEYZCRM-FYYLOGMGSA-N 2 1 424.593 3.840 20 0 HHADMP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc[nH+]1 ZINC000486011556 998455693 /nfs/dbraw/zinc/45/56/93/998455693.db2.gz YGTRXCAHQQOQJM-MQFRRQCYSA-N 2 1 424.593 3.616 20 0 HHADMP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc[nH+]1 ZINC000486011556 998455698 /nfs/dbraw/zinc/45/56/98/998455698.db2.gz YGTRXCAHQQOQJM-MQFRRQCYSA-N 2 1 424.593 3.616 20 0 HHADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)c1 ZINC000477920330 998658381 /nfs/dbraw/zinc/65/83/81/998658381.db2.gz UYOUERHNCOLXJM-IBGZPJMESA-N 2 1 415.603 3.677 20 0 HHADMP C[C@H](NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486255346 998678474 /nfs/dbraw/zinc/67/84/74/998678474.db2.gz VDROZJUWGZTSDG-FUDKSRODSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@H](NC(=O)NCCCC[NH+]1CCCC[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486255346 998678479 /nfs/dbraw/zinc/67/84/79/998678479.db2.gz VDROZJUWGZTSDG-FUDKSRODSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@H](NC(=O)NCCCC[NH+]1CCCC[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486255346 998678481 /nfs/dbraw/zinc/67/84/81/998678481.db2.gz VDROZJUWGZTSDG-FUDKSRODSA-N 2 1 400.611 3.851 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC000478045191 998732171 /nfs/dbraw/zinc/73/21/71/998732171.db2.gz WHPDCDQCHPDPSC-YFNKSVMNSA-N 2 1 410.606 3.555 20 0 HHADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CC1 ZINC000478045191 998732175 /nfs/dbraw/zinc/73/21/75/998732175.db2.gz WHPDCDQCHPDPSC-YFNKSVMNSA-N 2 1 410.606 3.555 20 0 HHADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CC1 ZINC000478045191 998732178 /nfs/dbraw/zinc/73/21/78/998732178.db2.gz WHPDCDQCHPDPSC-YFNKSVMNSA-N 2 1 410.606 3.555 20 0 HHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000478045587 998732554 /nfs/dbraw/zinc/73/25/54/998732554.db2.gz GMCDJPOAYGAQKY-IBGZPJMESA-N 2 1 410.599 3.966 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000478045587 998732556 /nfs/dbraw/zinc/73/25/56/998732556.db2.gz GMCDJPOAYGAQKY-IBGZPJMESA-N 2 1 410.599 3.966 20 0 HHADMP CC(=O)Nc1ccc(NC(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000478053362 998737910 /nfs/dbraw/zinc/73/79/10/998737910.db2.gz KUYMXTPBGRRDAM-GOSISDBHSA-N 2 1 400.567 3.560 20 0 HHADMP CC(=O)Nc1ccc(NC(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000478053362 998737914 /nfs/dbraw/zinc/73/79/14/998737914.db2.gz KUYMXTPBGRRDAM-GOSISDBHSA-N 2 1 400.567 3.560 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000478626181 999051980 /nfs/dbraw/zinc/05/19/80/999051980.db2.gz IBPMXJPIEGEBDA-FQEVSTJZSA-N 2 1 401.595 3.744 20 0 HHADMP C[NH+](C)CCCOc1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000487390468 999157362 /nfs/dbraw/zinc/15/73/62/999157362.db2.gz VNZKMEAVWPLBEO-QHCPKHFHSA-N 2 1 409.574 3.546 20 0 HHADMP C[NH+]1CCN(c2cccc(Cl)c2CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000478952575 999219229 /nfs/dbraw/zinc/21/92/29/999219229.db2.gz BMEVBJZUHVMLJT-NRFANRHFSA-N 2 1 413.009 3.704 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000479066963 999277984 /nfs/dbraw/zinc/27/79/84/999277984.db2.gz KCFOLASPFOJXQH-ZJOUEHCJSA-N 2 1 415.603 3.655 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000479066963 999277989 /nfs/dbraw/zinc/27/79/89/999277989.db2.gz KCFOLASPFOJXQH-ZJOUEHCJSA-N 2 1 415.603 3.655 20 0 HHADMP O=C([C@H](c1ccccc1)[NH+]1CCSCC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000487875968 999301408 /nfs/dbraw/zinc/30/14/08/999301408.db2.gz PPIWFGJKEXFCTL-GMAHTHKFSA-N 2 1 415.647 3.891 20 0 HHADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Br)cc1C(F)(F)F ZINC000479278772 999361599 /nfs/dbraw/zinc/36/15/99/999361599.db2.gz KGJNTYZZZOBZOA-LBPRGKRZSA-N 2 1 409.290 3.965 20 0 HHADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000479284485 999365006 /nfs/dbraw/zinc/36/50/06/999365006.db2.gz OKGGCYBCTUBRHU-UWJYYQICSA-N 2 1 403.364 3.607 20 0 HHADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000479284485 999365011 /nfs/dbraw/zinc/36/50/11/999365011.db2.gz OKGGCYBCTUBRHU-UWJYYQICSA-N 2 1 403.364 3.607 20 0 HHADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000479302992 999374611 /nfs/dbraw/zinc/37/46/11/999374611.db2.gz WBNXXNMQWATCPX-HRAATJIYSA-N 2 1 403.364 3.737 20 0 HHADMP COc1cc2c(cc1OC)[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)CC2 ZINC000479335911 999391263 /nfs/dbraw/zinc/39/12/63/999391263.db2.gz MYJSKKXDVGPXLT-XZOQPEGZSA-N 2 1 409.574 3.660 20 0 HHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000479437282 999416903 /nfs/dbraw/zinc/41/69/03/999416903.db2.gz LRSXEWIUQVLWJF-UPVQGACJSA-N 2 1 402.542 3.606 20 0 HHADMP COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000479444520 999420591 /nfs/dbraw/zinc/42/05/91/999420591.db2.gz IWGQFRLOIUTYRB-URXFXBBRSA-N 2 1 405.546 3.530 20 0 HHADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)CCC(F)(F)F ZINC000488340415 999448112 /nfs/dbraw/zinc/44/81/12/999448112.db2.gz QLVWJQKFVQSXND-KBRIMQKVSA-N 2 1 405.892 3.579 20 0 HHADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)CCC(F)(F)F ZINC000488340415 999448115 /nfs/dbraw/zinc/44/81/15/999448115.db2.gz QLVWJQKFVQSXND-KBRIMQKVSA-N 2 1 405.892 3.579 20 0 HHADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000488340415 999448119 /nfs/dbraw/zinc/44/81/19/999448119.db2.gz QLVWJQKFVQSXND-KBRIMQKVSA-N 2 1 405.892 3.579 20 0 HHADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000488340415 999448121 /nfs/dbraw/zinc/44/81/21/999448121.db2.gz QLVWJQKFVQSXND-KBRIMQKVSA-N 2 1 405.892 3.579 20 0 HHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]CCc3ccc(OCC(F)(F)F)nc3)sc2C1 ZINC000479612964 999500935 /nfs/dbraw/zinc/50/09/35/999500935.db2.gz JFIHEQGMHBWQRJ-UHFFFAOYSA-N 2 1 414.497 3.578 20 0 HHADMP CC(C)[N@H+]1CCc2nc(C[NH2+]CCc3ccc(OCC(F)(F)F)nc3)sc2C1 ZINC000479612964 999500943 /nfs/dbraw/zinc/50/09/43/999500943.db2.gz JFIHEQGMHBWQRJ-UHFFFAOYSA-N 2 1 414.497 3.578 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000488566551 999530169 /nfs/dbraw/zinc/53/01/69/999530169.db2.gz ZJOXDPFKVYMJKG-FGZHOGPDSA-N 2 1 422.564 3.910 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000488566551 999530172 /nfs/dbraw/zinc/53/01/72/999530172.db2.gz ZJOXDPFKVYMJKG-FGZHOGPDSA-N 2 1 422.564 3.910 20 0 HHADMP CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+]([C@H](C)c4ccccc4)C3)cc2)CC1 ZINC000488666278 999564434 /nfs/dbraw/zinc/56/44/34/999564434.db2.gz FKFNWZJMONFZBH-ZJSXRUAMSA-N 2 1 420.601 3.782 20 0 HHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(OCc2nccn2C)cc1 ZINC000479887014 999636820 /nfs/dbraw/zinc/63/68/20/999636820.db2.gz MUHNYTUFQKNIFR-FQEVSTJZSA-N 2 1 420.557 3.682 20 0 HHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000479913652 999646680 /nfs/dbraw/zinc/64/66/80/999646680.db2.gz OWALXMYFWOUCIN-VQTJNVASSA-N 2 1 407.624 3.776 20 0 HHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000479913652 999646683 /nfs/dbraw/zinc/64/66/83/999646683.db2.gz OWALXMYFWOUCIN-VQTJNVASSA-N 2 1 407.624 3.776 20 0 HHADMP C[C@]1(CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000489080102 999692802 /nfs/dbraw/zinc/69/28/02/999692802.db2.gz SSVJJAWOOPCUOB-RUZDIDTESA-N 2 1 421.589 3.652 20 0 HHADMP C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000489210022 999723221 /nfs/dbraw/zinc/72/32/21/999723221.db2.gz ZXQPTVQMQGRKGT-CNNODRBYSA-N 2 1 414.619 3.951 20 0 HHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccco1 ZINC000489229496 999726762 /nfs/dbraw/zinc/72/67/62/999726762.db2.gz YFGKMIRTNGDBOP-NLWGTHIKSA-N 2 1 418.607 3.982 20 0 HHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000489236151 999728060 /nfs/dbraw/zinc/72/80/60/999728060.db2.gz RTUUTEVSLZPOOY-QHCPKHFHSA-N 2 1 400.611 3.947 20 0 HHADMP CCC[NH+]1CCC([NH2+][C@H]2CCCOc3ccc(I)cc32)CC1 ZINC000480146241 999730000 /nfs/dbraw/zinc/73/00/00/999730000.db2.gz ODEFZAAJKGWOPU-KRWDZBQOSA-N 2 1 414.331 3.969 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCN(Cc4ccccn4)C[C@H]3C)cc2)C[C@H](C)O1 ZINC000480239909 999753899 /nfs/dbraw/zinc/75/38/99/999753899.db2.gz GNSZAIYQVTXCER-ZUVQJFRASA-N 2 1 422.617 3.691 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(-n2cncn2)cc1 ZINC000480244046 999755016 /nfs/dbraw/zinc/75/50/16/999755016.db2.gz UMVGYELZCYGFHA-HSALFYBXSA-N 2 1 405.546 3.727 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000489498775 999778948 /nfs/dbraw/zinc/77/89/48/999778948.db2.gz REMJPEQQLQHVHZ-OFVILXPXSA-N 2 1 420.601 3.645 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000489498775 999778950 /nfs/dbraw/zinc/77/89/50/999778950.db2.gz REMJPEQQLQHVHZ-OFVILXPXSA-N 2 1 420.601 3.645 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000489498775 999778952 /nfs/dbraw/zinc/77/89/52/999778952.db2.gz REMJPEQQLQHVHZ-OFVILXPXSA-N 2 1 420.601 3.645 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000489530364 999785536 /nfs/dbraw/zinc/78/55/36/999785536.db2.gz LZGABVWSEMATAQ-AUSIDOKSSA-N 2 1 410.562 3.659 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)[nH+]c1 ZINC000489632066 999806493 /nfs/dbraw/zinc/80/64/93/999806493.db2.gz VGDDGPDPQRYRAY-REWPJTCUSA-N 2 1 421.589 3.569 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)CC2)[nH+]c1 ZINC000489632066 999806495 /nfs/dbraw/zinc/80/64/95/999806495.db2.gz VGDDGPDPQRYRAY-REWPJTCUSA-N 2 1 421.589 3.569 20 0 HHADMP Cc1cc(NC(=O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n(C(C)(C)C)n1 ZINC000489679053 999815862 /nfs/dbraw/zinc/81/58/62/999815862.db2.gz OMCCUCDKHQSYPN-UHFFFAOYSA-N 2 1 411.594 3.729 20 0 HHADMP Cc1cc(NC(=O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n(C(C)(C)C)n1 ZINC000489679053 999815866 /nfs/dbraw/zinc/81/58/66/999815866.db2.gz OMCCUCDKHQSYPN-UHFFFAOYSA-N 2 1 411.594 3.729 20 0 HHADMP O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000489705649 999821234 /nfs/dbraw/zinc/82/12/34/999821234.db2.gz ASMSJACZXWNPHD-HSZRJFAPSA-N 2 1 420.601 3.646 20 0 HHADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C[C@@H](C)C1 ZINC000489730564 999826665 /nfs/dbraw/zinc/82/66/65/999826665.db2.gz XRDJWZMUHRBGPF-PYSZQBSGSA-N 2 1 412.622 3.515 20 0 HHADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H](C)C1 ZINC000489730564 999826666 /nfs/dbraw/zinc/82/66/66/999826666.db2.gz XRDJWZMUHRBGPF-PYSZQBSGSA-N 2 1 412.622 3.515 20 0 HHADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H](C)C1 ZINC000489730564 999826667 /nfs/dbraw/zinc/82/66/67/999826667.db2.gz XRDJWZMUHRBGPF-PYSZQBSGSA-N 2 1 412.622 3.515 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000489824930 999844695 /nfs/dbraw/zinc/84/46/95/999844695.db2.gz DLPUKDPUEDAESA-GBAAUQCPSA-N 2 1 414.638 3.954 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000489824930 999844696 /nfs/dbraw/zinc/84/46/96/999844696.db2.gz DLPUKDPUEDAESA-GBAAUQCPSA-N 2 1 414.638 3.954 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000489824930 999844697 /nfs/dbraw/zinc/84/46/97/999844697.db2.gz DLPUKDPUEDAESA-GBAAUQCPSA-N 2 1 414.638 3.954 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000489896263 999857706 /nfs/dbraw/zinc/85/77/06/999857706.db2.gz ITECRFAVVCZAFQ-OAQYLSRUSA-N 2 1 400.611 3.805 20 0 HHADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000480693260 999860872 /nfs/dbraw/zinc/86/08/72/999860872.db2.gz LVUBWGURNGAAHS-QHCPKHFHSA-N 2 1 409.574 3.836 20 0 HHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)CC1 ZINC000480695220 999861435 /nfs/dbraw/zinc/86/14/35/999861435.db2.gz QUIWPUMJFSCVDZ-QFIPXVFZSA-N 2 1 417.601 3.920 20 0 HHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000480695942 999861756 /nfs/dbraw/zinc/86/17/56/999861756.db2.gz VDCVCDBRSRDTIV-NRFANRHFSA-N 2 1 420.601 3.802 20 0 HHADMP CCC[N@H+](C)[C@@H](CNC(=O)NC[C@@H](C)Cn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000490190650 999907886 /nfs/dbraw/zinc/90/78/86/999907886.db2.gz KURRNTZLNZOYOS-UZLBHIALSA-N 2 1 405.974 3.863 20 0 HHADMP CCC[N@@H+](C)[C@@H](CNC(=O)NC[C@@H](C)Cn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000490190650 999907888 /nfs/dbraw/zinc/90/78/88/999907888.db2.gz KURRNTZLNZOYOS-UZLBHIALSA-N 2 1 405.974 3.863 20 0 HHADMP Brc1cnn(CCC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000490354379 999943282 /nfs/dbraw/zinc/94/32/82/999943282.db2.gz LJHFCWVKOPBLOR-HLAWJBBLSA-N 2 1 417.395 3.926 20 0 HHADMP Brc1cnn(CCC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000490355636 999943570 /nfs/dbraw/zinc/94/35/70/999943570.db2.gz QSBLKVBTSRJBBF-DFQSSKMNSA-N 2 1 403.368 3.536 20 0 HHADMP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C[C@@H](C)C1 ZINC000490987270 1000030604 /nfs/dbraw/zinc/03/06/04/1000030604.db2.gz JECUWBIRVDRUDJ-JFJDKTSWSA-N 2 1 412.622 3.659 20 0 HHADMP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C[C@@H](C)C1 ZINC000490987270 1000030606 /nfs/dbraw/zinc/03/06/06/1000030606.db2.gz JECUWBIRVDRUDJ-JFJDKTSWSA-N 2 1 412.622 3.659 20 0 HHADMP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C[C@@H](C)C1 ZINC000490987270 1000030607 /nfs/dbraw/zinc/03/06/07/1000030607.db2.gz JECUWBIRVDRUDJ-JFJDKTSWSA-N 2 1 412.622 3.659 20 0 HHADMP C[C@H]1C[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490994224 1000031696 /nfs/dbraw/zinc/03/16/96/1000031696.db2.gz KHIYDNPWJGEBFW-OFVILXPXSA-N 2 1 409.574 3.816 20 0 HHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3coc(-c4ccc(F)c(F)c4)n3)CC2)C[C@H](C)O1 ZINC000491055187 1000039822 /nfs/dbraw/zinc/03/98/22/1000039822.db2.gz FUXYYNYDBMVXER-IYBDPMFKSA-N 2 1 405.489 3.941 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3coc(-c4ccc(F)c(F)c4)n3)CC2)C[C@H](C)O1 ZINC000491055187 1000039823 /nfs/dbraw/zinc/03/98/23/1000039823.db2.gz FUXYYNYDBMVXER-IYBDPMFKSA-N 2 1 405.489 3.941 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)COc2ccccc2Cl)CC1 ZINC000491062376 1000041279 /nfs/dbraw/zinc/04/12/79/1000041279.db2.gz REIXOBVBSRTLGY-NRFANRHFSA-N 2 1 402.966 3.924 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1)C1CCOCC1 ZINC000493827476 1000196158 /nfs/dbraw/zinc/19/61/58/1000196158.db2.gz ZRQBOJWSWARVHL-WXFUMESZSA-N 2 1 414.590 3.614 20 0 HHADMP C[C@H]1[C@H](NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000494070209 1000294402 /nfs/dbraw/zinc/29/44/02/1000294402.db2.gz VTXLFIJNODTNLD-WMZHIEFXSA-N 2 1 409.599 3.628 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494131364 1000322457 /nfs/dbraw/zinc/32/24/57/1000322457.db2.gz GXCPWLXKLVMGCE-VXKWHMMOSA-N 2 1 401.501 3.980 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494131364 1000322462 /nfs/dbraw/zinc/32/24/62/1000322462.db2.gz GXCPWLXKLVMGCE-VXKWHMMOSA-N 2 1 401.501 3.980 20 0 HHADMP C[C@@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000504871241 1000417618 /nfs/dbraw/zinc/41/76/18/1000417618.db2.gz XAUCSCVBVVJFCQ-RXVVDRJESA-N 2 1 412.603 3.631 20 0 HHADMP C[C@@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000504887139 1000428439 /nfs/dbraw/zinc/42/84/39/1000428439.db2.gz AIBPLBJVIABBPN-SIKLNZKXSA-N 2 1 410.562 3.553 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1cccs1 ZINC000505766046 1001012533 /nfs/dbraw/zinc/01/25/33/1001012533.db2.gz KTBPNLWBGGHXNR-NFBKMPQASA-N 2 1 412.603 3.658 20 0 HHADMP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000505891257 1001083574 /nfs/dbraw/zinc/08/35/74/1001083574.db2.gz IVNSOTLKIZTNBE-VXKWHMMOSA-N 2 1 413.512 3.535 20 0 HHADMP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH+](Cc2ccccc2)CCC1(F)F ZINC000505891257 1001083579 /nfs/dbraw/zinc/08/35/79/1001083579.db2.gz IVNSOTLKIZTNBE-VXKWHMMOSA-N 2 1 413.512 3.535 20 0 HHADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[NH+](Cc2ccccc2)CCC1(F)F ZINC000505891257 1001083586 /nfs/dbraw/zinc/08/35/86/1001083586.db2.gz IVNSOTLKIZTNBE-VXKWHMMOSA-N 2 1 413.512 3.535 20 0 HHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000505912453 1001096761 /nfs/dbraw/zinc/09/67/61/1001096761.db2.gz MSWMTZFTKCWDDJ-MQSCRBSSSA-N 2 1 415.647 3.890 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000505912453 1001096768 /nfs/dbraw/zinc/09/67/68/1001096768.db2.gz MSWMTZFTKCWDDJ-MQSCRBSSSA-N 2 1 415.647 3.890 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000506176348 1001261043 /nfs/dbraw/zinc/26/10/43/1001261043.db2.gz XMJMIQAAILRZGT-MRXNPFEDSA-N 2 1 422.545 3.576 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497565954 1001438193 /nfs/dbraw/zinc/43/81/93/1001438193.db2.gz GZHIQXSIYRLRAN-GBXCKJPGSA-N 2 1 412.622 3.851 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCC2(F)F)C1 ZINC000506526615 1001451559 /nfs/dbraw/zinc/45/15/59/1001451559.db2.gz QOOMTKNATIATJQ-TZIWHRDSSA-N 2 1 407.549 3.772 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000506526615 1001451562 /nfs/dbraw/zinc/45/15/62/1001451562.db2.gz QOOMTKNATIATJQ-TZIWHRDSSA-N 2 1 407.549 3.772 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000506526615 1001451564 /nfs/dbraw/zinc/45/15/64/1001451564.db2.gz QOOMTKNATIATJQ-TZIWHRDSSA-N 2 1 407.549 3.772 20 0 HHADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000498023475 1001610033 /nfs/dbraw/zinc/61/00/33/1001610033.db2.gz BNILXQHGGMALNG-UGKGYDQZSA-N 2 1 412.603 3.657 20 0 HHADMP C[NH+](Cc1ccccc1)C1CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000498023475 1001610034 /nfs/dbraw/zinc/61/00/34/1001610034.db2.gz BNILXQHGGMALNG-UGKGYDQZSA-N 2 1 412.603 3.657 20 0 HHADMP C[NH+](Cc1ccccc1)C1CN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000498023475 1001610035 /nfs/dbraw/zinc/61/00/35/1001610035.db2.gz BNILXQHGGMALNG-UGKGYDQZSA-N 2 1 412.603 3.657 20 0 HHADMP COc1cccc([C@H](CNC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)c1 ZINC000498121460 1001650558 /nfs/dbraw/zinc/65/05/58/1001650558.db2.gz QOFXOPFBGVZHPM-APTRMMRNSA-N 2 1 424.589 3.508 20 0 HHADMP CN(C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000498135206 1001657017 /nfs/dbraw/zinc/65/70/17/1001657017.db2.gz JMQGFXKXBBMVET-CBQGHPETSA-N 2 1 410.562 3.678 20 0 HHADMP CN(C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000498135206 1001657021 /nfs/dbraw/zinc/65/70/21/1001657021.db2.gz JMQGFXKXBBMVET-CBQGHPETSA-N 2 1 410.562 3.678 20 0 HHADMP CN(C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000498135206 1001657024 /nfs/dbraw/zinc/65/70/24/1001657024.db2.gz JMQGFXKXBBMVET-CBQGHPETSA-N 2 1 410.562 3.678 20 0 HHADMP CN(C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000498135206 1001657028 /nfs/dbraw/zinc/65/70/28/1001657028.db2.gz JMQGFXKXBBMVET-CBQGHPETSA-N 2 1 410.562 3.678 20 0 HHADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCc4sccc4C3)[C@@H]2C1 ZINC000498137183 1001658499 /nfs/dbraw/zinc/65/84/99/1001658499.db2.gz UNVWUYMCCUNBKM-BAGYTPMASA-N 2 1 424.614 3.583 20 0 HHADMP C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCc4sccc4C3)[C@@H]2C1 ZINC000498137183 1001658502 /nfs/dbraw/zinc/65/85/02/1001658502.db2.gz UNVWUYMCCUNBKM-BAGYTPMASA-N 2 1 424.614 3.583 20 0 HHADMP C[NH+]1CC[C@@H]2CCN(C(=O)NC[C@@H](c3ccccc3)[N@@H+]3CCc4sccc4C3)[C@@H]2C1 ZINC000498137183 1001658505 /nfs/dbraw/zinc/65/85/05/1001658505.db2.gz UNVWUYMCCUNBKM-BAGYTPMASA-N 2 1 424.614 3.583 20 0 HHADMP C[NH+]1CC[C@@H]2CCN(C(=O)NC[C@@H](c3ccccc3)[N@H+]3CCc4sccc4C3)[C@@H]2C1 ZINC000498137183 1001658507 /nfs/dbraw/zinc/65/85/07/1001658507.db2.gz UNVWUYMCCUNBKM-BAGYTPMASA-N 2 1 424.614 3.583 20 0 HHADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000498143897 1001661693 /nfs/dbraw/zinc/66/16/93/1001661693.db2.gz FZBJJHGUYGDRLT-XXBNENTESA-N 2 1 410.562 3.680 20 0 HHADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000498143897 1001661696 /nfs/dbraw/zinc/66/16/96/1001661696.db2.gz FZBJJHGUYGDRLT-XXBNENTESA-N 2 1 410.562 3.680 20 0 HHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000506952213 1001725005 /nfs/dbraw/zinc/72/50/05/1001725005.db2.gz NUKVCIOAFQTVDI-VXKWHMMOSA-N 2 1 412.622 3.731 20 0 HHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000506952213 1001725010 /nfs/dbraw/zinc/72/50/10/1001725010.db2.gz NUKVCIOAFQTVDI-VXKWHMMOSA-N 2 1 412.622 3.731 20 0 HHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000506952213 1001725016 /nfs/dbraw/zinc/72/50/16/1001725016.db2.gz NUKVCIOAFQTVDI-VXKWHMMOSA-N 2 1 412.622 3.731 20 0 HHADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000507390219 1002043665 /nfs/dbraw/zinc/04/36/65/1002043665.db2.gz KGZFBEWUXYNQRT-FQEVSTJZSA-N 2 1 400.611 3.982 20 0 HHADMP CC[NH+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000507390219 1002043683 /nfs/dbraw/zinc/04/36/83/1002043683.db2.gz KGZFBEWUXYNQRT-FQEVSTJZSA-N 2 1 400.611 3.982 20 0 HHADMP CC[NH+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000507390219 1002043673 /nfs/dbraw/zinc/04/36/73/1002043673.db2.gz KGZFBEWUXYNQRT-FQEVSTJZSA-N 2 1 400.611 3.982 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CCCC23CC[NH+](C)CC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000498663931 1002057677 /nfs/dbraw/zinc/05/76/77/1002057677.db2.gz PUXSCMFTNSNQCE-SFTDATJTSA-N 2 1 420.548 3.758 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CCCC23CC[NH+](C)CC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000498663931 1002057688 /nfs/dbraw/zinc/05/76/88/1002057688.db2.gz PUXSCMFTNSNQCE-SFTDATJTSA-N 2 1 420.548 3.758 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498664944 1002058130 /nfs/dbraw/zinc/05/81/30/1002058130.db2.gz BVERDWRQLIUVCH-YCZSINBZSA-N 2 1 420.548 3.614 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498664944 1002058142 /nfs/dbraw/zinc/05/81/42/1002058142.db2.gz BVERDWRQLIUVCH-YCZSINBZSA-N 2 1 420.548 3.614 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498664944 1002058153 /nfs/dbraw/zinc/05/81/53/1002058153.db2.gz BVERDWRQLIUVCH-YCZSINBZSA-N 2 1 420.548 3.614 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498664944 1002058168 /nfs/dbraw/zinc/05/81/68/1002058168.db2.gz BVERDWRQLIUVCH-YCZSINBZSA-N 2 1 420.548 3.614 20 0 HHADMP O=C1c2ccccc2C(=O)N1CCCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000507518348 1002128614 /nfs/dbraw/zinc/12/86/14/1002128614.db2.gz CPWSJIYBEHIKLD-FGCOXFRFSA-N 2 1 417.553 3.563 20 0 HHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@H](CN4CCOCC4)c4ccccc4)[C@H]3C2)cc1 ZINC000507529900 1002138790 /nfs/dbraw/zinc/13/87/90/1002138790.db2.gz PBTNNNRROMKLOX-ASDGIDEWSA-N 2 1 405.586 3.560 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@H](CN4CCOCC4)c4ccccc4)[C@H]3C2)cc1 ZINC000507529900 1002138793 /nfs/dbraw/zinc/13/87/93/1002138793.db2.gz PBTNNNRROMKLOX-ASDGIDEWSA-N 2 1 405.586 3.560 20 0 HHADMP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000507921446 1002455330 /nfs/dbraw/zinc/45/53/30/1002455330.db2.gz ILPBVDBUWHCKHH-GOSISDBHSA-N 2 1 404.599 3.737 20 0 HHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000507953749 1002487183 /nfs/dbraw/zinc/48/71/83/1002487183.db2.gz UANIAOQEXNBVNT-UHFFFAOYSA-N 2 1 415.622 3.814 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000499104558 1002496684 /nfs/dbraw/zinc/49/66/84/1002496684.db2.gz WYBXKEBBJSQKNG-YFXJRYMSSA-N 2 1 412.553 3.638 20 0 HHADMP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000499110637 1002501196 /nfs/dbraw/zinc/50/11/96/1002501196.db2.gz KYKGULWNXYFIJK-GGAORHGYSA-N 2 1 400.611 3.805 20 0 HHADMP CCc1cc(N2CCC[C@@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)ncn1 ZINC000499148869 1002531890 /nfs/dbraw/zinc/53/18/90/1002531890.db2.gz UIGFGNGJEOYEPU-JLLPCOHGSA-N 2 1 405.590 3.793 20 0 HHADMP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000499150365 1002534714 /nfs/dbraw/zinc/53/47/14/1002534714.db2.gz XXIYGAKOUPKXLD-MPIKPJSNSA-N 3 1 407.602 3.955 20 0 HHADMP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000499150365 1002534725 /nfs/dbraw/zinc/53/47/25/1002534725.db2.gz XXIYGAKOUPKXLD-MPIKPJSNSA-N 2 1 407.602 3.955 20 0 HHADMP c1ccc(CN2CCO[C@@H](C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)cc1 ZINC000499155016 1002539464 /nfs/dbraw/zinc/53/94/64/1002539464.db2.gz GGXINKXOSITPMG-QYOOZWMWSA-N 2 1 405.586 3.673 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C/C(C)=C\c3ccccc3COC)CC2)CC1 ZINC000508259048 1002778512 /nfs/dbraw/zinc/77/85/12/1002778512.db2.gz XBJZYJQIBIXBEB-FXBPSFAMSA-N 2 1 413.606 3.503 20 0 HHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](CC(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000508258818 1002778950 /nfs/dbraw/zinc/77/89/50/1002778950.db2.gz VQBVNHPKUHJPGU-UHFFFAOYSA-N 2 1 405.586 3.695 20 0 HHADMP Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000508701422 1003138878 /nfs/dbraw/zinc/13/88/78/1003138878.db2.gz WZOGFESRQXVBMJ-HRNNMHKYSA-N 2 1 407.602 3.869 20 0 HHADMP Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000508701422 1003138872 /nfs/dbraw/zinc/13/88/72/1003138872.db2.gz WZOGFESRQXVBMJ-HRNNMHKYSA-N 2 1 407.602 3.869 20 0 HHADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000500164721 1003518104 /nfs/dbraw/zinc/51/81/04/1003518104.db2.gz URTMXWVEIRKQGW-FQEVSTJZSA-N 2 1 408.590 3.774 20 0 HHADMP COc1ccc(OC)c(C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)c1 ZINC000509068895 1003529956 /nfs/dbraw/zinc/52/99/56/1003529956.db2.gz MKKYWSDOIVMZMA-UHFFFAOYSA-N 2 1 413.562 3.821 20 0 HHADMP COc1ccc(OC)c(C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)c1 ZINC000509068895 1003529962 /nfs/dbraw/zinc/52/99/62/1003529962.db2.gz MKKYWSDOIVMZMA-UHFFFAOYSA-N 2 1 413.562 3.821 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000509373339 1003800088 /nfs/dbraw/zinc/80/00/88/1003800088.db2.gz PJCZUYZGKJUVFN-QGZVFWFLSA-N 2 1 402.608 3.583 20 0 HHADMP Cc1ccc(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)cc1NC(=O)C[NH+]1CCCCC1 ZINC000511943794 1003911505 /nfs/dbraw/zinc/91/15/05/1003911505.db2.gz OLZXLJJEKMIADV-FHWLQOOXSA-N 2 1 400.567 3.619 20 0 HHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000500787850 1003956645 /nfs/dbraw/zinc/95/66/45/1003956645.db2.gz RXPLMUFSQXOLAI-QFIPXVFZSA-N 2 1 401.599 3.594 20 0 HHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000509594403 1003968188 /nfs/dbraw/zinc/96/81/88/1003968188.db2.gz FDGJDCUMBYRMJH-KSEOMHKRSA-N 2 1 412.578 3.872 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ncc(I)s2)C1 ZINC000512088244 1004014035 /nfs/dbraw/zinc/01/40/35/1004014035.db2.gz NOQNFAVQZFBTFO-BETUJISGSA-N 2 1 407.365 3.595 20 0 HHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nc4cc(Br)ccc4o3)CC2)C[C@@H](C)O1 ZINC000509667370 1004015596 /nfs/dbraw/zinc/01/55/96/1004015596.db2.gz QUFMNSUBNCBRRL-HUUCEWRRSA-N 2 1 422.367 3.912 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)cc1)C(C)C ZINC000512105377 1004027118 /nfs/dbraw/zinc/02/71/18/1004027118.db2.gz KLXFQEOOYNKTRD-UHFFFAOYSA-N 2 1 424.545 3.639 20 0 HHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nc3cc(Br)ccc3o2)CC1 ZINC000509684519 1004028367 /nfs/dbraw/zinc/02/83/67/1004028367.db2.gz LLMOTESLLTYQLY-UHFFFAOYSA-N 2 1 410.356 3.913 20 0 HHADMP CC(C)(CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C[NH+]1CCCC1 ZINC000512172873 1004075640 /nfs/dbraw/zinc/07/56/40/1004075640.db2.gz PSQUSCMHXGERBE-OAQYLSRUSA-N 2 1 400.611 3.708 20 0 HHADMP Cn1cc[nH+]c1CC1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000512173302 1004076239 /nfs/dbraw/zinc/07/62/39/1004076239.db2.gz VIADDXYOICBQRL-QFIPXVFZSA-N 2 1 423.605 3.685 20 0 HHADMP Cn1cc[nH+]c1CC1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000512173302 1004076248 /nfs/dbraw/zinc/07/62/48/1004076248.db2.gz VIADDXYOICBQRL-QFIPXVFZSA-N 2 1 423.605 3.685 20 0 HHADMP C[C@H]1C[C@H](CCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000509766221 1004081510 /nfs/dbraw/zinc/08/15/10/1004081510.db2.gz HACRPVMRDRRLIN-FPOVZHCZSA-N 2 1 400.611 3.849 20 0 HHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nc4cc(C(F)(F)F)ccc4n3C)CC2)C[C@@H](C)O1 ZINC000512181284 1004083385 /nfs/dbraw/zinc/08/33/85/1004083385.db2.gz PNFATGPTUNLUMQ-HZPDHXFCSA-N 2 1 424.511 3.913 20 0 HHADMP CCN(C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000501017748 1004120617 /nfs/dbraw/zinc/12/06/17/1004120617.db2.gz BRSHIJMQKLEBCA-LJQANCHMSA-N 2 1 412.553 3.979 20 0 HHADMP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501018722 1004121424 /nfs/dbraw/zinc/12/14/24/1004121424.db2.gz FXTOZNOTZZQLSM-RBUKOAKNSA-N 2 1 410.562 3.504 20 0 HHADMP C[N@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501019544 1004121701 /nfs/dbraw/zinc/12/17/01/1004121701.db2.gz JVZXCWVYWCNYHP-UHFFFAOYSA-N 2 1 406.452 3.887 20 0 HHADMP CC[C@@H](C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)[NH+]1CCCC1 ZINC000509850057 1004147925 /nfs/dbraw/zinc/14/79/25/1004147925.db2.gz ZGFSNGFWTUQIGC-MHJFOBGBSA-N 2 1 407.986 3.610 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CC1 ZINC000501051259 1004153415 /nfs/dbraw/zinc/15/34/15/1004153415.db2.gz IGAONSJLTMXKLY-MRXNPFEDSA-N 2 1 404.546 3.757 20 0 HHADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCCN2CC[NH+](C(C)C)CC2)[C@@H]2CCCC[C@@H]12 ZINC000501056487 1004158698 /nfs/dbraw/zinc/15/86/98/1004158698.db2.gz DKGAHEYMPLLLKL-ZROJVYTPSA-N 2 1 420.686 3.586 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000501068888 1004171472 /nfs/dbraw/zinc/17/14/72/1004171472.db2.gz ASGPMOLTEHLTFH-OFNKIYASSA-N 2 1 400.611 3.660 20 0 HHADMP C[N@@H+](CCC(=O)N[C@H]1CCCc2ccccc21)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501073730 1004176663 /nfs/dbraw/zinc/17/66/63/1004176663.db2.gz FZBDFHGJSNHHEN-DEOSSOPVSA-N 2 1 406.574 3.814 20 0 HHADMP CCC[N@H+](CCC(=O)NCC1CCCCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512282466 1004184429 /nfs/dbraw/zinc/18/44/29/1004184429.db2.gz VJFWHSMMIYIYEJ-UHFFFAOYSA-N 2 1 415.626 3.861 20 0 HHADMP CCC[N@@H+](CCC(=O)NCC1CCCCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512282466 1004184434 /nfs/dbraw/zinc/18/44/34/1004184434.db2.gz VJFWHSMMIYIYEJ-UHFFFAOYSA-N 2 1 415.626 3.861 20 0 HHADMP O=C(CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)N1CCc2ccccc2C1 ZINC000512292359 1004195793 /nfs/dbraw/zinc/19/57/93/1004195793.db2.gz GWNQOESKEUHKMT-SANMLTNESA-N 2 1 403.570 3.559 20 0 HHADMP O=C(CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)N1CCc2ccccc2C1 ZINC000512292359 1004195801 /nfs/dbraw/zinc/19/58/01/1004195801.db2.gz GWNQOESKEUHKMT-SANMLTNESA-N 2 1 403.570 3.559 20 0 HHADMP O=C(CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N1CCc2ccccc2C1 ZINC000512292359 1004195809 /nfs/dbraw/zinc/19/58/09/1004195809.db2.gz GWNQOESKEUHKMT-SANMLTNESA-N 2 1 403.570 3.559 20 0 HHADMP CN(C(=O)NC[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000501093677 1004198885 /nfs/dbraw/zinc/19/88/85/1004198885.db2.gz ZGEFRHOSMSTXEZ-WQBCWGSGSA-N 2 1 422.976 3.739 20 0 HHADMP CN(C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000501093677 1004198893 /nfs/dbraw/zinc/19/88/93/1004198893.db2.gz ZGEFRHOSMSTXEZ-WQBCWGSGSA-N 2 1 422.976 3.739 20 0 HHADMP CN(C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000501093677 1004198897 /nfs/dbraw/zinc/19/88/97/1004198897.db2.gz ZGEFRHOSMSTXEZ-WQBCWGSGSA-N 2 1 422.976 3.739 20 0 HHADMP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1OCC(=O)N(C)C ZINC000512312535 1004209363 /nfs/dbraw/zinc/20/93/63/1004209363.db2.gz DREYQXSUKJDVEC-DXIQSLLYSA-N 2 1 401.595 3.847 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000501172979 1004253924 /nfs/dbraw/zinc/25/39/24/1004253924.db2.gz JNSYTBJDUSLUMB-NHCUHLMSSA-N 2 1 400.592 3.705 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000510037162 1004281153 /nfs/dbraw/zinc/28/11/53/1004281153.db2.gz AZBBNTSRIIZORN-LJQANCHMSA-N 2 1 415.607 3.614 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CCC(CC[NH+](C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000512429302 1004295710 /nfs/dbraw/zinc/29/57/10/1004295710.db2.gz FJLGDKHONUVADX-NFBKMPQASA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[C@@H]1C[C@@H](C)[NH+](Cc3ccccc3)C1)CC2 ZINC000512429790 1004296753 /nfs/dbraw/zinc/29/67/53/1004296753.db2.gz JOIGMKMJWSZDFT-BUZMGHMJSA-N 2 1 412.622 3.944 20 0 HHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc3ccccc3)C1)CC2 ZINC000512429790 1004296762 /nfs/dbraw/zinc/29/67/62/1004296762.db2.gz JOIGMKMJWSZDFT-BUZMGHMJSA-N 2 1 412.622 3.944 20 0 HHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)C1)CC2 ZINC000512429790 1004296768 /nfs/dbraw/zinc/29/67/68/1004296768.db2.gz JOIGMKMJWSZDFT-BUZMGHMJSA-N 2 1 412.622 3.944 20 0 HHADMP CC[C@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000501337974 1004355627 /nfs/dbraw/zinc/35/56/27/1004355627.db2.gz ZKRJWCNMMXDGMF-FGZHOGPDSA-N 2 1 410.562 3.553 20 0 HHADMP C[NH+](C)CCCC1CCN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000501398133 1004391649 /nfs/dbraw/zinc/39/16/49/1004391649.db2.gz VAAOQYRBCQBNSM-UHFFFAOYSA-N 2 1 404.624 3.821 20 0 HHADMP CCC[N@H+](CCC(=O)N1CCc2ccccc21)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510234503 1004413120 /nfs/dbraw/zinc/41/31/20/1004413120.db2.gz AZQUDQYWNLQGAE-UHFFFAOYSA-N 2 1 421.589 3.754 20 0 HHADMP CCC[N@@H+](CCC(=O)N1CCc2ccccc21)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510234503 1004413122 /nfs/dbraw/zinc/41/31/22/1004413122.db2.gz AZQUDQYWNLQGAE-UHFFFAOYSA-N 2 1 421.589 3.754 20 0 HHADMP CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512637344 1004449405 /nfs/dbraw/zinc/44/94/05/1004449405.db2.gz UXDKCNLUORFZAY-UBFVSLLYSA-N 2 1 405.586 3.821 20 0 HHADMP CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512637343 1004449458 /nfs/dbraw/zinc/44/94/58/1004449458.db2.gz UXDKCNLUORFZAY-ISJGIBHGSA-N 2 1 405.586 3.821 20 0 HHADMP COC(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512653967 1004466216 /nfs/dbraw/zinc/46/62/16/1004466216.db2.gz IGSFBTJYMCQLSB-QPTUXGOLSA-N 2 1 408.542 3.629 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000512701845 1004505442 /nfs/dbraw/zinc/50/54/42/1004505442.db2.gz WDUNRQPTXIWNIT-SZPZYZBQSA-N 2 1 408.590 3.651 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000512701845 1004505444 /nfs/dbraw/zinc/50/54/44/1004505444.db2.gz WDUNRQPTXIWNIT-SZPZYZBQSA-N 2 1 408.590 3.651 20 0 HHADMP C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000512711336 1004510506 /nfs/dbraw/zinc/51/05/06/1004510506.db2.gz GXBRGSXOVZCSDC-CTNGQTDRSA-N 2 1 416.585 3.696 20 0 HHADMP C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000512711336 1004510518 /nfs/dbraw/zinc/51/05/18/1004510518.db2.gz GXBRGSXOVZCSDC-CTNGQTDRSA-N 2 1 416.585 3.696 20 0 HHADMP C[C@@H](NC(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512711336 1004510528 /nfs/dbraw/zinc/51/05/28/1004510528.db2.gz GXBRGSXOVZCSDC-CTNGQTDRSA-N 2 1 416.585 3.696 20 0 HHADMP C[C@@H](NC(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512711336 1004510537 /nfs/dbraw/zinc/51/05/37/1004510537.db2.gz GXBRGSXOVZCSDC-CTNGQTDRSA-N 2 1 416.585 3.696 20 0 HHADMP C[C@H](NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512713327 1004511997 /nfs/dbraw/zinc/51/19/97/1004511997.db2.gz ZLSWWAIIHBYQOH-RBUKOAKNSA-N 2 1 402.583 3.538 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+]1CCCC1 ZINC000501583603 1004533527 /nfs/dbraw/zinc/53/35/27/1004533527.db2.gz XSGGYTIRHQCGIW-QFIPXVFZSA-N 2 1 416.610 3.786 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2ccccc2-c2ccnn2C)C[C@H](C)O1 ZINC000510410359 1004546997 /nfs/dbraw/zinc/54/69/97/1004546997.db2.gz GDFCSLLHGIFADU-BGYRXZFFSA-N 2 1 404.558 3.986 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C[C@H]1C ZINC000512800963 1004566630 /nfs/dbraw/zinc/56/66/30/1004566630.db2.gz BTKPRNKNLZFQSG-KAGYGMCKSA-N 2 1 404.599 3.591 20 0 HHADMP O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000512853135 1004616791 /nfs/dbraw/zinc/61/67/91/1004616791.db2.gz TZPZBZHQZMKDRX-UXHICEINSA-N 2 1 424.511 3.550 20 0 HHADMP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)[NH+](C)C ZINC000510529054 1004659991 /nfs/dbraw/zinc/65/99/91/1004659991.db2.gz ZLYAXZVCROBFDL-DNVCBOLYSA-N 2 1 413.472 3.935 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)CC1 ZINC000501913682 1004808035 /nfs/dbraw/zinc/80/80/35/1004808035.db2.gz DSKKBVOQLCZIKY-RCZVLFRGSA-N 2 1 423.605 3.506 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccsc1 ZINC000510883094 1004909366 /nfs/dbraw/zinc/90/93/66/1004909366.db2.gz OCXBGQIGLKIIIZ-SFTDATJTSA-N 2 1 414.619 3.951 20 0 HHADMP Cc1[nH+]ccn1CCCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000510896696 1004918202 /nfs/dbraw/zinc/91/82/02/1004918202.db2.gz INHVAWKSLCJLRQ-BJKOFHAPSA-N 2 1 417.557 3.549 20 0 HHADMP Cc1[nH+]ccn1CCCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000510896696 1004918208 /nfs/dbraw/zinc/91/82/08/1004918208.db2.gz INHVAWKSLCJLRQ-BJKOFHAPSA-N 2 1 417.557 3.549 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3cccc(C[NH+]4CCCC4)c3)cc2)C[C@H](C)O1 ZINC000513350484 1004922959 /nfs/dbraw/zinc/92/29/59/1004922959.db2.gz DUSBJTFHZQTJLZ-OYRHEFFESA-N 2 1 421.585 3.822 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@H](C)O1 ZINC000513360765 1004925567 /nfs/dbraw/zinc/92/55/67/1004925567.db2.gz DXLRZFAFOPIZOA-OYRHEFFESA-N 2 1 421.585 3.822 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@H](C)O1 ZINC000513360765 1004925570 /nfs/dbraw/zinc/92/55/70/1004925570.db2.gz DXLRZFAFOPIZOA-OYRHEFFESA-N 2 1 421.585 3.822 20 0 HHADMP CCC[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000510910022 1004926639 /nfs/dbraw/zinc/92/66/39/1004926639.db2.gz FATKNODLODLEJX-LOSJGSFVSA-N 2 1 420.601 3.828 20 0 HHADMP CC(C)Cc1ccc([C@@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[NH+](C)C)cc1 ZINC000513373898 1004932079 /nfs/dbraw/zinc/93/20/79/1004932079.db2.gz UGIBIQQHUACYMB-HNTVYWHESA-N 2 1 400.611 3.754 20 0 HHADMP COc1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C3CCOCC3)c1)CC2 ZINC000513400418 1004944994 /nfs/dbraw/zinc/94/49/94/1004944994.db2.gz YAUQZHBYZTTXAV-QHCPKHFHSA-N 2 1 424.585 3.832 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(C(=O)Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000511017788 1004981590 /nfs/dbraw/zinc/98/15/90/1004981590.db2.gz SBAYQUFRSPVJFF-NQHRYMMQSA-N 2 1 405.586 3.863 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(C(=O)Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000511017788 1004981597 /nfs/dbraw/zinc/98/15/97/1004981597.db2.gz SBAYQUFRSPVJFF-NQHRYMMQSA-N 2 1 405.586 3.863 20 0 HHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000511037301 1004991880 /nfs/dbraw/zinc/99/18/80/1004991880.db2.gz XWKJOFGBZVZSKZ-INIZCTEOSA-N 2 1 411.287 3.690 20 0 HHADMP CCc1cc(OC)ccc1C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000502287218 1004994510 /nfs/dbraw/zinc/99/45/10/1004994510.db2.gz ZKMXXWZCSXPOCH-UHFFFAOYSA-N 2 1 423.601 3.718 20 0 HHADMP CCOc1cc(C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)ccc1OCc1ccccc1 ZINC000513510013 1004997152 /nfs/dbraw/zinc/99/71/52/1004997152.db2.gz XONNMLQOLIOKAG-DEOSSOPVSA-N 2 1 423.601 3.876 20 0 HHADMP C[N@H+]1CCN(CCC[NH2+][C@H](Cc2ccccn2)c2cccnc2)[C@@H](c2ccccc2)C1 ZINC000513518438 1005002023 /nfs/dbraw/zinc/00/20/23/1005002023.db2.gz MKAUERKACIWYRE-CLJLJLNGSA-N 2 1 415.585 3.729 20 0 HHADMP CCCCCOc1ccc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000513672376 1005076307 /nfs/dbraw/zinc/07/63/07/1005076307.db2.gz KDRDOFQPNCZBEO-UHFFFAOYSA-N 2 1 401.595 3.632 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1-n1ccnn1 ZINC000513690783 1005083928 /nfs/dbraw/zinc/08/39/28/1005083928.db2.gz MDYOOBMWAQSXRH-ZCNNSNEGSA-N 2 1 405.546 3.727 20 0 HHADMP C[C@@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511233259 1005084652 /nfs/dbraw/zinc/08/46/52/1005084652.db2.gz LLPLTGWEMFRZLZ-UXHICEINSA-N 2 1 422.683 3.690 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]Cc4ccc(N5CCOCC5)nc4)[C@H]3C2)cc1 ZINC000513697984 1005086765 /nfs/dbraw/zinc/08/67/65/1005086765.db2.gz VFNLWYIDHCRALW-SDHOMARFSA-N 2 1 420.601 3.699 20 0 HHADMP C[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1)C1=CC[NH+](C)CC1 ZINC000511245356 1005088506 /nfs/dbraw/zinc/08/85/06/1005088506.db2.gz ARARLAONDBQVKB-OAQYLSRUSA-N 2 1 410.606 3.867 20 0 HHADMP C[C@@H](NC(=O)N1CC[NH+](Cc2ccccc2)C2(CCCCC2)C1)C1=CC[N@H+](C)CC1 ZINC000511245356 1005088511 /nfs/dbraw/zinc/08/85/11/1005088511.db2.gz ARARLAONDBQVKB-OAQYLSRUSA-N 2 1 410.606 3.867 20 0 HHADMP C[C@@H](NC(=O)N1CC[NH+](Cc2ccccc2)C2(CCCCC2)C1)C1=CC[N@@H+](C)CC1 ZINC000511245356 1005088517 /nfs/dbraw/zinc/08/85/17/1005088517.db2.gz ARARLAONDBQVKB-OAQYLSRUSA-N 2 1 410.606 3.867 20 0 HHADMP COc1ccc(-c2ccccc2)cc1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000513707790 1005090787 /nfs/dbraw/zinc/09/07/87/1005090787.db2.gz IVUSAFIFRLBNGU-UHFFFAOYSA-N 2 1 421.585 3.738 20 0 HHADMP C[C@@H](NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511304712 1005116823 /nfs/dbraw/zinc/11/68/23/1005116823.db2.gz FSTFNCZRQPPMHS-GLHSZLCASA-N 2 1 413.606 3.679 20 0 HHADMP C[C@@H](NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511304712 1005116827 /nfs/dbraw/zinc/11/68/27/1005116827.db2.gz FSTFNCZRQPPMHS-GLHSZLCASA-N 2 1 413.606 3.679 20 0 HHADMP Cc1cc(-c2noc([C@@H](C)[NH+]3CCC(CC[NH+]4CCOCC4)CC3)n2)ccc1F ZINC000513821533 1005145026 /nfs/dbraw/zinc/14/50/26/1005145026.db2.gz KKIUJZCRGVYCTK-QGZVFWFLSA-N 2 1 402.514 3.679 20 0 HHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1 ZINC000511376113 1005146263 /nfs/dbraw/zinc/14/62/63/1005146263.db2.gz GDKARSCEBHRVHQ-GOTSBHOMSA-N 2 1 401.982 3.953 20 0 HHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000513831117 1005149786 /nfs/dbraw/zinc/14/97/86/1005149786.db2.gz KMVRWMCNRSDJTK-OYRHEFFESA-N 2 1 415.622 3.880 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)NC[C@H](c2cccs2)[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000511428435 1005172508 /nfs/dbraw/zinc/17/25/08/1005172508.db2.gz NSBZUUJWMOGVDT-HLAWJBBLSA-N 2 1 414.619 3.951 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)[NH+]2CCCC2)o1 ZINC000511463878 1005187123 /nfs/dbraw/zinc/18/71/23/1005187123.db2.gz QCHCYVNIUSMMGD-ZVDOUQERSA-N 2 1 402.583 3.677 20 0 HHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000502797247 1005221984 /nfs/dbraw/zinc/22/19/84/1005221984.db2.gz UNPSDIOWUAMYNL-GGAORHGYSA-N 2 1 422.617 3.980 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCCC1 ZINC000502840491 1005240105 /nfs/dbraw/zinc/24/01/05/1005240105.db2.gz HATVEBBLHSYZHK-UNMCSNQZSA-N 2 1 416.610 3.786 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCC1 ZINC000502863938 1005249178 /nfs/dbraw/zinc/24/91/78/1005249178.db2.gz SFMRPCIGEBGTGO-IRLDBZIGSA-N 2 1 416.610 3.643 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000502878027 1005255118 /nfs/dbraw/zinc/25/51/18/1005255118.db2.gz UIONLMWZPCTDOR-SZPZYZBQSA-N 2 1 400.611 3.662 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000502878027 1005255122 /nfs/dbraw/zinc/25/51/22/1005255122.db2.gz UIONLMWZPCTDOR-SZPZYZBQSA-N 2 1 400.611 3.662 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000502878027 1005255127 /nfs/dbraw/zinc/25/51/27/1005255127.db2.gz UIONLMWZPCTDOR-SZPZYZBQSA-N 2 1 400.611 3.662 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000502878026 1005255376 /nfs/dbraw/zinc/25/53/76/1005255376.db2.gz UIONLMWZPCTDOR-FGZHOGPDSA-N 2 1 400.611 3.662 20 0 HHADMP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000511646174 1005259776 /nfs/dbraw/zinc/25/97/76/1005259776.db2.gz IMOZHPOLULITJF-UHFFFAOYSA-N 2 1 409.549 3.772 20 0 HHADMP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000511646174 1005259781 /nfs/dbraw/zinc/25/97/81/1005259781.db2.gz IMOZHPOLULITJF-UHFFFAOYSA-N 2 1 409.549 3.772 20 0 HHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 ZINC000502893593 1005262742 /nfs/dbraw/zinc/26/27/42/1005262742.db2.gz UKNSPJMARIEQEU-MRXNPFEDSA-N 2 1 415.475 3.779 20 0 HHADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000511663755 1005266925 /nfs/dbraw/zinc/26/69/25/1005266925.db2.gz MXKNEVZOMINQSC-UHFFFAOYSA-N 2 1 417.491 3.761 20 0 HHADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000511664541 1005267356 /nfs/dbraw/zinc/26/73/56/1005267356.db2.gz OSPWEGCETHZEEN-UHFFFAOYSA-N 2 1 417.491 3.761 20 0 HHADMP CC(C)c1oc([C@H]2CCC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)nc1-c1ccccc1 ZINC000514107710 1005269001 /nfs/dbraw/zinc/26/90/01/1005269001.db2.gz PFEAJZBUVMRSHK-HXUWFJFHSA-N 2 1 410.562 3.766 20 0 HHADMP CC(C)c1oc([C@H]2CCC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)nc1-c1ccccc1 ZINC000514107710 1005269009 /nfs/dbraw/zinc/26/90/09/1005269009.db2.gz PFEAJZBUVMRSHK-HXUWFJFHSA-N 2 1 410.562 3.766 20 0 HHADMP CN(C(=O)NCCC[N@H+]1CCc2ccccc2C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000502952634 1005290353 /nfs/dbraw/zinc/29/03/53/1005290353.db2.gz XJCOHVRXQLZMDT-UHFFFAOYSA-N 2 1 420.601 3.741 20 0 HHADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000502966527 1005296032 /nfs/dbraw/zinc/29/60/32/1005296032.db2.gz VEJPZONZDNVUCD-ZRCGQRJVSA-N 2 1 401.595 3.680 20 0 HHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000502966527 1005296033 /nfs/dbraw/zinc/29/60/33/1005296033.db2.gz VEJPZONZDNVUCD-ZRCGQRJVSA-N 2 1 401.595 3.680 20 0 HHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000502966527 1005296037 /nfs/dbraw/zinc/29/60/37/1005296037.db2.gz VEJPZONZDNVUCD-ZRCGQRJVSA-N 2 1 401.595 3.680 20 0 HHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000502966527 1005296038 /nfs/dbraw/zinc/29/60/38/1005296038.db2.gz VEJPZONZDNVUCD-ZRCGQRJVSA-N 2 1 401.595 3.680 20 0 HHADMP CCCOc1nc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)cc2ccccc21 ZINC000514237502 1005326814 /nfs/dbraw/zinc/32/68/14/1005326814.db2.gz JINWAUVGIHEKCW-HXUWFJFHSA-N 2 1 412.578 3.512 20 0 HHADMP Cc1cccc(C)c1NC(=O)CCC[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511808069 1005338800 /nfs/dbraw/zinc/33/88/00/1005338800.db2.gz GJCLCKWDPDDIOF-UHFFFAOYSA-N 2 1 422.617 3.772 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000503398551 1005408038 /nfs/dbraw/zinc/40/80/38/1005408038.db2.gz JXKBUGINOJADIT-GGAORHGYSA-N 2 1 400.611 3.505 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000503398551 1005408041 /nfs/dbraw/zinc/40/80/41/1005408041.db2.gz JXKBUGINOJADIT-GGAORHGYSA-N 2 1 400.611 3.505 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000503398551 1005408043 /nfs/dbraw/zinc/40/80/43/1005408043.db2.gz JXKBUGINOJADIT-GGAORHGYSA-N 2 1 400.611 3.505 20 0 HHADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000503504852 1005439401 /nfs/dbraw/zinc/43/94/01/1005439401.db2.gz RXSZDTPGWWGBER-GOTSBHOMSA-N 2 1 424.589 3.670 20 0 HHADMP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000504296839 1005591780 /nfs/dbraw/zinc/59/17/80/1005591780.db2.gz VEWGWQILTYJHQC-XZOQPEGZSA-N 2 1 406.574 3.841 20 0 HHADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000504352051 1005604540 /nfs/dbraw/zinc/60/45/40/1005604540.db2.gz QJLVXWDFBBIEPQ-DNQXCXABSA-N 2 1 418.585 3.730 20 0 HHADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000504352051 1005604541 /nfs/dbraw/zinc/60/45/41/1005604541.db2.gz QJLVXWDFBBIEPQ-DNQXCXABSA-N 2 1 418.585 3.730 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1)Cc1ccccc1 ZINC000531167203 1006026139 /nfs/dbraw/zinc/02/61/39/1006026139.db2.gz GXPAPMJJTDDVBO-UHFFFAOYSA-N 2 1 405.586 3.636 20 0 HHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000534059910 1006031224 /nfs/dbraw/zinc/03/12/24/1006031224.db2.gz ZJHAUIZGRUBDIZ-GOSISDBHSA-N 2 1 400.792 3.707 20 0 HHADMP C[N@@H+]1CC[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534098085 1006070238 /nfs/dbraw/zinc/07/02/38/1006070238.db2.gz ITVHSFLCWYCQJK-SFTDATJTSA-N 2 1 404.986 3.603 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534098085 1006070251 /nfs/dbraw/zinc/07/02/51/1006070251.db2.gz ITVHSFLCWYCQJK-SFTDATJTSA-N 2 1 404.986 3.603 20 0 HHADMP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000534124282 1006098532 /nfs/dbraw/zinc/09/85/32/1006098532.db2.gz AIHTWMLKYGQANF-ILWGZMRPSA-N 2 1 412.965 3.509 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000534124282 1006098544 /nfs/dbraw/zinc/09/85/44/1006098544.db2.gz AIHTWMLKYGQANF-ILWGZMRPSA-N 2 1 412.965 3.509 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000534124282 1006098556 /nfs/dbraw/zinc/09/85/56/1006098556.db2.gz AIHTWMLKYGQANF-ILWGZMRPSA-N 2 1 412.965 3.509 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000534124282 1006098566 /nfs/dbraw/zinc/09/85/66/1006098566.db2.gz AIHTWMLKYGQANF-ILWGZMRPSA-N 2 1 412.965 3.509 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[NH+](C)C ZINC000531317103 1006117579 /nfs/dbraw/zinc/11/75/79/1006117579.db2.gz KKEPQVMFTPZKOX-WOJBJXKFSA-N 2 1 418.969 3.553 20 0 HHADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000531347328 1006138651 /nfs/dbraw/zinc/13/86/51/1006138651.db2.gz VVXOFIUKHSMQRN-UHFFFAOYSA-N 2 1 410.484 3.870 20 0 HHADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534205722 1006198951 /nfs/dbraw/zinc/19/89/51/1006198951.db2.gz VZUUNTFNMQZUJO-MIALQEHNSA-N 2 1 410.965 3.644 20 0 HHADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534205720 1006199123 /nfs/dbraw/zinc/19/91/23/1006199123.db2.gz VZUUNTFNMQZUJO-AXVVYFOYSA-N 2 1 410.965 3.644 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000531443835 1006200440 /nfs/dbraw/zinc/20/04/40/1006200440.db2.gz RHAZFAVRZPHBMX-IBGZPJMESA-N 2 1 412.603 3.696 20 0 HHADMP Cc1csc2nc(C[NH+]3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)cc(=O)n12 ZINC000534229521 1006228658 /nfs/dbraw/zinc/22/86/58/1006228658.db2.gz NHTQXGKLJFOHBH-UHFFFAOYSA-N 2 1 408.571 3.553 20 0 HHADMP C[C@H](CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C[NH+]1CCCCC1 ZINC000534249433 1006257171 /nfs/dbraw/zinc/25/71/71/1006257171.db2.gz GJPSUVZQEGAEIV-JOCHJYFZSA-N 2 1 412.622 3.806 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1scnc1C1CC1 ZINC000534250324 1006258315 /nfs/dbraw/zinc/25/83/15/1006258315.db2.gz FZRUHXOMPHBYJC-UHFFFAOYSA-N 2 1 405.612 3.681 20 0 HHADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](Cc3ccc(Cl)cc3)c3ccccc3)cn2)CC1 ZINC000531631691 1006317877 /nfs/dbraw/zinc/31/78/77/1006317877.db2.gz UDTPSKZXWYQEPV-QHCPKHFHSA-N 2 1 421.976 3.955 20 0 HHADMP COc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)N2CCOCC2)cc1 ZINC000531692495 1006357776 /nfs/dbraw/zinc/35/77/76/1006357776.db2.gz CNFNVYWOXWFFEJ-KBMIEXCESA-N 2 1 420.557 3.913 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000531721444 1006378827 /nfs/dbraw/zinc/37/88/27/1006378827.db2.gz QAWWVYCTYTWWQM-CYSDGLOUSA-N 2 1 404.558 3.714 20 0 HHADMP COc1ccc([C@@H](CNC(=O)NCCC[N@H+]2CCCC[C@H]2C)[NH+]2CCCCC2)cc1 ZINC000515292635 1006381133 /nfs/dbraw/zinc/38/11/33/1006381133.db2.gz MULKIAPBVYUGGJ-NFBKMPQASA-N 2 1 416.610 3.786 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)cc1 ZINC000531938493 1006532416 /nfs/dbraw/zinc/53/24/16/1006532416.db2.gz VLUDLOZGJMJOFB-GOSISDBHSA-N 2 1 418.541 3.731 20 0 HHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000531940062 1006533200 /nfs/dbraw/zinc/53/32/00/1006533200.db2.gz VBVODXQEUACHHX-NZQKXSOJSA-N 2 1 409.574 3.877 20 0 HHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC000531939638 1006533811 /nfs/dbraw/zinc/53/38/11/1006533811.db2.gz FOIXPWXYEKTAGW-YADARESESA-N 2 1 406.574 3.601 20 0 HHADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1)C2 ZINC000515563137 1006537928 /nfs/dbraw/zinc/53/79/28/1006537928.db2.gz SQAHAERGWSUPLH-XMMPIXPASA-N 2 1 416.569 3.963 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 ZINC000531950788 1006539725 /nfs/dbraw/zinc/53/97/25/1006539725.db2.gz GSJNDZBTEXKVEA-KOSHJBKYSA-N 2 1 418.541 3.940 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000531958272 1006546976 /nfs/dbraw/zinc/54/69/76/1006546976.db2.gz ZPFSIJJLMNJYQS-SJORKVTESA-N 2 1 412.559 3.843 20 0 HHADMP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531979332 1006557639 /nfs/dbraw/zinc/55/76/39/1006557639.db2.gz AXPIHQMMIVMWKS-JPYJTQIMSA-N 2 1 415.965 3.592 20 0 HHADMP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531979332 1006557646 /nfs/dbraw/zinc/55/76/46/1006557646.db2.gz AXPIHQMMIVMWKS-JPYJTQIMSA-N 2 1 415.965 3.592 20 0 HHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+]C(C)(C)c3cccc(C)c3)CC2)cc1 ZINC000538392140 1006661709 /nfs/dbraw/zinc/66/17/09/1006661709.db2.gz LUZVHDZFLZUBOV-UHFFFAOYSA-N 2 1 409.574 3.563 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+]C(C)(C)c3cccc(C)c3)CC2)cc1 ZINC000538392140 1006661715 /nfs/dbraw/zinc/66/17/15/1006661715.db2.gz LUZVHDZFLZUBOV-UHFFFAOYSA-N 2 1 409.574 3.563 20 0 HHADMP CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000515832559 1006707429 /nfs/dbraw/zinc/70/74/29/1006707429.db2.gz ABZRUFULQCZOBV-QHCPKHFHSA-N 2 1 409.574 3.802 20 0 HHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000532192411 1006710500 /nfs/dbraw/zinc/71/05/00/1006710500.db2.gz SRPLYIRGXRFZRL-HXUWFJFHSA-N 2 1 409.574 3.836 20 0 HHADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000532231471 1006737753 /nfs/dbraw/zinc/73/77/53/1006737753.db2.gz PZVPMSRHPSVJJS-LJQANCHMSA-N 2 1 401.595 3.979 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000532235411 1006740429 /nfs/dbraw/zinc/74/04/29/1006740429.db2.gz FSGYKHIAPRFPLH-LVCYWYKZSA-N 2 1 401.576 3.762 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000532235411 1006740439 /nfs/dbraw/zinc/74/04/39/1006740439.db2.gz FSGYKHIAPRFPLH-LVCYWYKZSA-N 2 1 401.576 3.762 20 0 HHADMP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000515910774 1006755734 /nfs/dbraw/zinc/75/57/34/1006755734.db2.gz DRLSWRAWNPJFBK-SFHVURJKSA-N 2 1 422.564 3.883 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000515910774 1006755755 /nfs/dbraw/zinc/75/57/55/1006755755.db2.gz DRLSWRAWNPJFBK-SFHVURJKSA-N 2 1 422.564 3.883 20 0 HHADMP C[C@@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000538553007 1006816907 /nfs/dbraw/zinc/81/69/07/1006816907.db2.gz YJZUMQMSVZXSSO-QFQXNSOFSA-N 2 1 423.601 3.765 20 0 HHADMP C[C@@H]1CCC[C@](CNC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)([NH+](C)C)C1 ZINC000516154621 1006921098 /nfs/dbraw/zinc/92/10/98/1006921098.db2.gz WJOUFDGWZSSENS-HXOBKFHXSA-N 2 1 422.564 3.739 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538665958 1006950199 /nfs/dbraw/zinc/95/01/99/1006950199.db2.gz OIQRNSYZHGVAJO-TYCQWZJGSA-N 2 1 424.992 3.986 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538665958 1006950212 /nfs/dbraw/zinc/95/02/12/1006950212.db2.gz OIQRNSYZHGVAJO-TYCQWZJGSA-N 2 1 424.992 3.986 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538665958 1006950221 /nfs/dbraw/zinc/95/02/21/1006950221.db2.gz OIQRNSYZHGVAJO-TYCQWZJGSA-N 2 1 424.992 3.986 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538665958 1006950226 /nfs/dbraw/zinc/95/02/26/1006950226.db2.gz OIQRNSYZHGVAJO-TYCQWZJGSA-N 2 1 424.992 3.986 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)cc1)C(C)C ZINC000534920705 1006956349 /nfs/dbraw/zinc/95/63/49/1006956349.db2.gz TWABXEMINPXGDU-LOSJGSFVSA-N 2 1 423.601 3.530 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cc1)C(C)C ZINC000534920705 1006956360 /nfs/dbraw/zinc/95/63/60/1006956360.db2.gz TWABXEMINPXGDU-LOSJGSFVSA-N 2 1 423.601 3.530 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cc1)C(C)C ZINC000534920705 1006956375 /nfs/dbraw/zinc/95/63/75/1006956375.db2.gz TWABXEMINPXGDU-LOSJGSFVSA-N 2 1 423.601 3.530 20 0 HHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534958837 1007003836 /nfs/dbraw/zinc/00/38/36/1007003836.db2.gz ISTJHCKZZIMTJH-HLIPFELVSA-N 2 1 410.965 3.646 20 0 HHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534958837 1007003850 /nfs/dbraw/zinc/00/38/50/1007003850.db2.gz ISTJHCKZZIMTJH-HLIPFELVSA-N 2 1 410.965 3.646 20 0 HHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534958837 1007003863 /nfs/dbraw/zinc/00/38/63/1007003863.db2.gz ISTJHCKZZIMTJH-HLIPFELVSA-N 2 1 410.965 3.646 20 0 HHADMP COc1ccccc1N1CC[C@H]([NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000534965503 1007018243 /nfs/dbraw/zinc/01/82/43/1007018243.db2.gz WAEFWZZUVNOJSI-QHCPKHFHSA-N 2 1 419.569 3.789 20 0 HHADMP COc1ccccc1N1CC[C@H]([NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000534965503 1007018255 /nfs/dbraw/zinc/01/82/55/1007018255.db2.gz WAEFWZZUVNOJSI-QHCPKHFHSA-N 2 1 419.569 3.789 20 0 HHADMP CC(C)n1nccc1NC(=O)[C@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534967112 1007021170 /nfs/dbraw/zinc/02/11/70/1007021170.db2.gz CJQPMPNLWYKQCP-FQEVSTJZSA-N 2 1 409.578 3.779 20 0 HHADMP CC(C)n1nccc1NC(=O)[C@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534967112 1007021183 /nfs/dbraw/zinc/02/11/83/1007021183.db2.gz CJQPMPNLWYKQCP-FQEVSTJZSA-N 2 1 409.578 3.779 20 0 HHADMP C[C@H]1CC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000538760098 1007043870 /nfs/dbraw/zinc/04/38/70/1007043870.db2.gz RFKPXPXBPDVMEE-OXJNMPFZSA-N 2 1 419.495 3.830 20 0 HHADMP C[C@H]1CC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000538760098 1007043881 /nfs/dbraw/zinc/04/38/81/1007043881.db2.gz RFKPXPXBPDVMEE-OXJNMPFZSA-N 2 1 419.495 3.830 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000534987187 1007045664 /nfs/dbraw/zinc/04/56/64/1007045664.db2.gz ZQMPGYQLJCBRPV-XMMPIXPASA-N 2 1 420.601 3.987 20 0 HHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000532627463 1007048911 /nfs/dbraw/zinc/04/89/11/1007048911.db2.gz UHSSPFBVFQXXNA-GOTSBHOMSA-N 2 1 416.997 3.669 20 0 HHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000532627465 1007049345 /nfs/dbraw/zinc/04/93/45/1007049345.db2.gz UHSSPFBVFQXXNA-XZOQPEGZSA-N 2 1 416.997 3.669 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000538798091 1007078856 /nfs/dbraw/zinc/07/88/56/1007078856.db2.gz MWMGOUSAJMWFPY-WXFUMESZSA-N 2 1 417.557 3.618 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000538798091 1007078870 /nfs/dbraw/zinc/07/88/70/1007078870.db2.gz MWMGOUSAJMWFPY-WXFUMESZSA-N 2 1 417.557 3.618 20 0 HHADMP CC(C)(C)[N@H+]1CCCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000532663594 1007080399 /nfs/dbraw/zinc/08/03/99/1007080399.db2.gz PBCSEUKGERSEBY-UHFFFAOYSA-N 2 1 402.583 3.889 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2CNc2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000532730619 1007139778 /nfs/dbraw/zinc/13/97/78/1007139778.db2.gz AUYZQTDDNKXRGA-UHFFFAOYSA-N 2 1 421.633 3.578 20 0 HHADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)N2CCc3sccc3C2)CC1)CC1CC1 ZINC000538949410 1007236730 /nfs/dbraw/zinc/23/67/30/1007236730.db2.gz NRTZKEJCWCAXTD-GOSISDBHSA-N 2 1 403.636 3.855 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000539019458 1007316790 /nfs/dbraw/zinc/31/67/90/1007316790.db2.gz XAYLEOKAOXRNHF-SFHVURJKSA-N 2 1 424.570 3.816 20 0 HHADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)[C@@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000535269210 1007318485 /nfs/dbraw/zinc/31/84/85/1007318485.db2.gz HPJXMJNOQRGODP-RBBKRZOGSA-N 2 1 417.475 3.744 20 0 HHADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)[C@@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000535269210 1007318504 /nfs/dbraw/zinc/31/85/04/1007318504.db2.gz HPJXMJNOQRGODP-RBBKRZOGSA-N 2 1 417.475 3.744 20 0 HHADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000535269210 1007318518 /nfs/dbraw/zinc/31/85/18/1007318518.db2.gz HPJXMJNOQRGODP-RBBKRZOGSA-N 2 1 417.475 3.744 20 0 HHADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000535269210 1007318533 /nfs/dbraw/zinc/31/85/33/1007318533.db2.gz HPJXMJNOQRGODP-RBBKRZOGSA-N 2 1 417.475 3.744 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+](CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)CC1 ZINC000532949926 1007319456 /nfs/dbraw/zinc/31/94/56/1007319456.db2.gz DISVZSVUIFDYFW-INIZCTEOSA-N 2 1 415.651 3.993 20 0 HHADMP c1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000532967217 1007334102 /nfs/dbraw/zinc/33/41/02/1007334102.db2.gz NOCUCIYINSNBQT-CLJLJLNGSA-N 3 1 410.650 3.522 20 0 HHADMP c1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000532967217 1007334116 /nfs/dbraw/zinc/33/41/16/1007334116.db2.gz NOCUCIYINSNBQT-CLJLJLNGSA-N 3 1 410.650 3.522 20 0 HHADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000539042717 1007339811 /nfs/dbraw/zinc/33/98/11/1007339811.db2.gz GYMXPAPWRQSUPM-ZJOUEHCJSA-N 2 1 415.603 3.546 20 0 HHADMP Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cnn1-c1cccc(Cl)c1 ZINC000539063396 1007356600 /nfs/dbraw/zinc/35/66/00/1007356600.db2.gz CTZFFBGAOVJSNF-UZQPLGKSSA-N 2 1 402.970 3.863 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000539088027 1007376465 /nfs/dbraw/zinc/37/64/65/1007376465.db2.gz YJYSDYQHRKCNFS-XXLKIAMFSA-N 2 1 403.570 3.786 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000539088027 1007376480 /nfs/dbraw/zinc/37/64/80/1007376480.db2.gz YJYSDYQHRKCNFS-XXLKIAMFSA-N 2 1 403.570 3.786 20 0 HHADMP O=C(CCc1ccccc1)N1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000539092314 1007382447 /nfs/dbraw/zinc/38/24/47/1007382447.db2.gz UNZXPBFNLAEPAA-UHFFFAOYSA-N 2 1 419.613 3.907 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)[C@@H]1c1ccccc1 ZINC000535340263 1007392797 /nfs/dbraw/zinc/39/27/97/1007392797.db2.gz MKPNNDPRTMLFEX-NYVOZVTQSA-N 2 1 412.603 3.705 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H]1c1ccccc1 ZINC000535340263 1007392811 /nfs/dbraw/zinc/39/28/11/1007392811.db2.gz MKPNNDPRTMLFEX-NYVOZVTQSA-N 2 1 412.603 3.705 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[C@@H]1c1ccccc1 ZINC000535340263 1007392828 /nfs/dbraw/zinc/39/28/28/1007392828.db2.gz MKPNNDPRTMLFEX-NYVOZVTQSA-N 2 1 412.603 3.705 20 0 HHADMP CCC[N@H+](Cc1nccn1CC(F)(F)F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533060956 1007423561 /nfs/dbraw/zinc/42/35/61/1007423561.db2.gz XVRCHGPFDJXTEN-UHFFFAOYSA-N 2 1 410.488 3.733 20 0 HHADMP CCC[N@@H+](Cc1nccn1CC(F)(F)F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533060956 1007423564 /nfs/dbraw/zinc/42/35/64/1007423564.db2.gz XVRCHGPFDJXTEN-UHFFFAOYSA-N 2 1 410.488 3.733 20 0 HHADMP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)cc2)C1 ZINC000535504090 1007560587 /nfs/dbraw/zinc/56/05/87/1007560587.db2.gz NCWMMKZGCFVACT-UIFIKXQLSA-N 2 1 407.002 3.897 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)cc2)C1 ZINC000535504090 1007560600 /nfs/dbraw/zinc/56/06/00/1007560600.db2.gz NCWMMKZGCFVACT-UIFIKXQLSA-N 2 1 407.002 3.897 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)C1 ZINC000535504090 1007560613 /nfs/dbraw/zinc/56/06/13/1007560613.db2.gz NCWMMKZGCFVACT-UIFIKXQLSA-N 2 1 407.002 3.897 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)C1 ZINC000535504090 1007560626 /nfs/dbraw/zinc/56/06/26/1007560626.db2.gz NCWMMKZGCFVACT-UIFIKXQLSA-N 2 1 407.002 3.897 20 0 HHADMP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000539266262 1007561560 /nfs/dbraw/zinc/56/15/60/1007561560.db2.gz YWLBEGISFMXPRO-JTAQYXEDSA-N 2 1 409.574 3.904 20 0 HHADMP C[C@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535676288 1007701818 /nfs/dbraw/zinc/70/18/18/1007701818.db2.gz PMGDSWVDUNDDDZ-OAQYLSRUSA-N 2 1 423.576 3.861 20 0 HHADMP C[N@H+]1CC[C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535677587 1007703627 /nfs/dbraw/zinc/70/36/27/1007703627.db2.gz VLBQKLHKDFLQKA-LDNXJKPSSA-N 2 1 422.976 3.786 20 0 HHADMP C[NH+]1CC[C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535677587 1007703643 /nfs/dbraw/zinc/70/36/43/1007703643.db2.gz VLBQKLHKDFLQKA-LDNXJKPSSA-N 2 1 422.976 3.786 20 0 HHADMP C[NH+]1CC[C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535677587 1007703654 /nfs/dbraw/zinc/70/36/54/1007703654.db2.gz VLBQKLHKDFLQKA-LDNXJKPSSA-N 2 1 422.976 3.786 20 0 HHADMP CCOc1ccc(OC[C@@H](O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000535681255 1007710217 /nfs/dbraw/zinc/71/02/17/1007710217.db2.gz ONTKCFUGQMEZKD-QHCPKHFHSA-N 2 1 424.585 3.813 20 0 HHADMP COc1cc(NC(=O)CC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(OC)cc1Cl ZINC000533408319 1007717092 /nfs/dbraw/zinc/71/70/92/1007717092.db2.gz XVXNYEDCOKUEQU-UHFFFAOYSA-N 2 1 411.974 3.738 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCC1([NH+]2CCOC(C)(C)C2)CCCCC1 ZINC000517501637 1007724637 /nfs/dbraw/zinc/72/46/37/1007724637.db2.gz HRDDRQRWYBLTKL-OAQYLSRUSA-N 2 1 422.658 3.754 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000517501637 1007724647 /nfs/dbraw/zinc/72/46/47/1007724647.db2.gz HRDDRQRWYBLTKL-OAQYLSRUSA-N 2 1 422.658 3.754 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000517501637 1007724657 /nfs/dbraw/zinc/72/46/57/1007724657.db2.gz HRDDRQRWYBLTKL-OAQYLSRUSA-N 2 1 422.658 3.754 20 0 HHADMP COc1cc(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)ccc1OC(C)C ZINC000517539039 1007755036 /nfs/dbraw/zinc/75/50/36/1007755036.db2.gz YJKHYTWKMQKYBH-HSZRJFAPSA-N 2 1 411.590 3.951 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C[NH+]4CCCCCC4)C3)CC2)cs1 ZINC000517565988 1007773756 /nfs/dbraw/zinc/77/37/56/1007773756.db2.gz HZYFIUYZAWFROG-FQEVSTJZSA-N 2 1 418.651 3.778 20 0 HHADMP CCCN(C(=O)NC[C@H](C)Cn1cc[nH+]c1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000517569195 1007776136 /nfs/dbraw/zinc/77/61/36/1007776136.db2.gz IRVJJDSENJYMEJ-REWPJTCUSA-N 2 1 411.594 3.914 20 0 HHADMP CCCN(C(=O)NC[C@H](C)Cn1cc[nH+]c1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000517569195 1007776145 /nfs/dbraw/zinc/77/61/45/1007776145.db2.gz IRVJJDSENJYMEJ-REWPJTCUSA-N 2 1 411.594 3.914 20 0 HHADMP COc1cccc2cc([C@H](C)[NH2+]Cc3cccc(C[N@H+]4CCC[C@H](C(N)=O)C4)c3)oc21 ZINC000539496378 1007807804 /nfs/dbraw/zinc/80/78/04/1007807804.db2.gz HUTCUOPAZANEGF-UWJYYQICSA-N 2 1 421.541 3.990 20 0 HHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)c2)cc1 ZINC000535806096 1007815407 /nfs/dbraw/zinc/81/54/07/1007815407.db2.gz FBHYCOPXKCNSGS-OEMFJLHTSA-N 2 1 423.557 3.631 20 0 HHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)c2)cc1 ZINC000535806096 1007815421 /nfs/dbraw/zinc/81/54/21/1007815421.db2.gz FBHYCOPXKCNSGS-OEMFJLHTSA-N 2 1 423.557 3.631 20 0 HHADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)c[nH]1 ZINC000539519175 1007828831 /nfs/dbraw/zinc/82/88/31/1007828831.db2.gz NMVFSEVODVZVAE-LPHOPBHVSA-N 2 1 409.452 3.993 20 0 HHADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)c[nH]1 ZINC000539519175 1007828842 /nfs/dbraw/zinc/82/88/42/1007828842.db2.gz NMVFSEVODVZVAE-LPHOPBHVSA-N 2 1 409.452 3.993 20 0 HHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@@H](c2ncccc2C)C(C)C)CC1 ZINC000533517669 1007837509 /nfs/dbraw/zinc/83/75/09/1007837509.db2.gz QHNMJHVWCJFITL-XMMPIXPASA-N 2 1 408.590 3.720 20 0 HHADMP C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000517636072 1007845308 /nfs/dbraw/zinc/84/53/08/1007845308.db2.gz OSSQOYZJXCTDAB-SFTDATJTSA-N 2 1 405.586 3.982 20 0 HHADMP C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000517636072 1007845322 /nfs/dbraw/zinc/84/53/22/1007845322.db2.gz OSSQOYZJXCTDAB-SFTDATJTSA-N 2 1 405.586 3.982 20 0 HHADMP C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000517636072 1007845328 /nfs/dbraw/zinc/84/53/28/1007845328.db2.gz OSSQOYZJXCTDAB-SFTDATJTSA-N 2 1 405.586 3.982 20 0 HHADMP C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000517636072 1007845347 /nfs/dbraw/zinc/84/53/47/1007845347.db2.gz OSSQOYZJXCTDAB-SFTDATJTSA-N 2 1 405.586 3.982 20 0 HHADMP COc1cc(Cl)c(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1Cl ZINC000533608541 1007908738 /nfs/dbraw/zinc/90/87/38/1007908738.db2.gz UHUQOTPESLTLRJ-UHFFFAOYSA-N 2 1 410.345 3.583 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000535937351 1007966591 /nfs/dbraw/zinc/96/65/91/1007966591.db2.gz NHTXERMVWYFAIG-BKULYWANSA-N 2 1 412.622 3.660 20 0 HHADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc3[nH]c(CCN4CCOCC4)[nH+]c3c2)C1 ZINC000539708184 1008026556 /nfs/dbraw/zinc/02/65/56/1008026556.db2.gz BVLHSOXOIGSLBR-DENIHFKCSA-N 2 1 419.573 3.685 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc3[nH]c(CCN4CCOCC4)[nH+]c3c2)C1 ZINC000539708184 1008026559 /nfs/dbraw/zinc/02/65/59/1008026559.db2.gz BVLHSOXOIGSLBR-DENIHFKCSA-N 2 1 419.573 3.685 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000536095649 1008118227 /nfs/dbraw/zinc/11/82/27/1008118227.db2.gz MWWPXYXJIVUHCX-RPWUZVMVSA-N 2 1 406.574 3.704 20 0 HHADMP COc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(-c2ccccc2)cc1OC ZINC000539824222 1008119155 /nfs/dbraw/zinc/11/91/55/1008119155.db2.gz DRGODZXMZJICOI-RDPSFJRHSA-N 2 1 423.601 3.829 20 0 HHADMP CCC[N@H+](Cc1ccc(-n2cncn2)c(C)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000539826136 1008120920 /nfs/dbraw/zinc/12/09/20/1008120920.db2.gz MKPMKDLYCIMBOF-UHFFFAOYSA-N 2 1 419.577 3.864 20 0 HHADMP CCC[N@@H+](Cc1ccc(-n2cncn2)c(C)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000539826136 1008120924 /nfs/dbraw/zinc/12/09/24/1008120924.db2.gz MKPMKDLYCIMBOF-UHFFFAOYSA-N 2 1 419.577 3.864 20 0 HHADMP Cc1nc(COc2ccc(C[N@@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)cc2)no1 ZINC000539829355 1008123631 /nfs/dbraw/zinc/12/36/31/1008123631.db2.gz SZHYTOWQSCQANJ-QFIPXVFZSA-N 2 1 406.530 3.911 20 0 HHADMP Cc1nc(COc2ccc(C[NH+](C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)no1 ZINC000539829355 1008123637 /nfs/dbraw/zinc/12/36/37/1008123637.db2.gz SZHYTOWQSCQANJ-QFIPXVFZSA-N 2 1 406.530 3.911 20 0 HHADMP Cc1nc(COc2ccc(C[NH+](C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)no1 ZINC000539829355 1008123639 /nfs/dbraw/zinc/12/36/39/1008123639.db2.gz SZHYTOWQSCQANJ-QFIPXVFZSA-N 2 1 406.530 3.911 20 0 HHADMP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000539852281 1008141063 /nfs/dbraw/zinc/14/10/63/1008141063.db2.gz SKKDCQKPRLHDHO-IBGZPJMESA-N 2 1 410.562 3.556 20 0 HHADMP Cn1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000539852281 1008141068 /nfs/dbraw/zinc/14/10/68/1008141068.db2.gz SKKDCQKPRLHDHO-IBGZPJMESA-N 2 1 410.562 3.556 20 0 HHADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000539975614 1008216646 /nfs/dbraw/zinc/21/66/46/1008216646.db2.gz AAEIUUOWVFCRHT-DNQXCXABSA-N 2 1 421.589 3.775 20 0 HHADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000539977848 1008217768 /nfs/dbraw/zinc/21/77/68/1008217768.db2.gz VMLKCMSZTNDNPN-HSZRJFAPSA-N 2 1 415.626 3.840 20 0 HHADMP CCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1 ZINC000518316161 1008257548 /nfs/dbraw/zinc/25/75/48/1008257548.db2.gz BGHBRBDUBKSEEK-NRFANRHFSA-N 2 1 407.002 3.868 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000518402888 1008289740 /nfs/dbraw/zinc/28/97/40/1008289740.db2.gz SDCMFQUBXJBBGR-BAGYTPMASA-N 2 1 410.562 3.941 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000518402890 1008290494 /nfs/dbraw/zinc/29/04/94/1008290494.db2.gz SDCMFQUBXJBBGR-FCEUIQTBSA-N 2 1 410.562 3.941 20 0 HHADMP CCC[N@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000518451163 1008312942 /nfs/dbraw/zinc/31/29/42/1008312942.db2.gz OOVIZUKMBTZEOX-QHAWAJNXSA-N 2 1 400.611 3.696 20 0 HHADMP CCC[NH+]1CC[C@H](CNC(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000518451163 1008312945 /nfs/dbraw/zinc/31/29/45/1008312945.db2.gz OOVIZUKMBTZEOX-QHAWAJNXSA-N 2 1 400.611 3.696 20 0 HHADMP CCC[NH+]1CC[C@H](CNC(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000518451163 1008312947 /nfs/dbraw/zinc/31/29/47/1008312947.db2.gz OOVIZUKMBTZEOX-QHAWAJNXSA-N 2 1 400.611 3.696 20 0 HHADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)[C@H](C)C1 ZINC000540170160 1008320805 /nfs/dbraw/zinc/32/08/05/1008320805.db2.gz WKHRVFFDLVOOHE-YKSBVNFPSA-N 2 1 409.574 3.875 20 0 HHADMP COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)C2=O)cc1 ZINC000540184996 1008326792 /nfs/dbraw/zinc/32/67/92/1008326792.db2.gz YQWRFQHVOBCSPL-SBUREZEXSA-N 2 1 404.514 3.641 20 0 HHADMP COc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)C2=O)cc1 ZINC000540184997 1008327017 /nfs/dbraw/zinc/32/70/17/1008327017.db2.gz YQWRFQHVOBCSPL-UZUQRXQVSA-N 2 1 404.514 3.641 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000540204113 1008334776 /nfs/dbraw/zinc/33/47/76/1008334776.db2.gz KKTHKURJUPMKCL-DHIUTWEWSA-N 2 1 401.570 3.584 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1F ZINC000518521989 1008336836 /nfs/dbraw/zinc/33/68/36/1008336836.db2.gz WFQMTIDTTPYTGS-OAQYLSRUSA-N 2 1 421.520 3.784 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000518521989 1008336840 /nfs/dbraw/zinc/33/68/40/1008336840.db2.gz WFQMTIDTTPYTGS-OAQYLSRUSA-N 2 1 421.520 3.784 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1F ZINC000518522524 1008336875 /nfs/dbraw/zinc/33/68/75/1008336875.db2.gz CQOKQECGUKZNHE-NRFANRHFSA-N 2 1 413.472 3.561 20 0 HHADMP COc1ccc([C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C2CC2)cc1 ZINC000540301482 1008372616 /nfs/dbraw/zinc/37/26/16/1008372616.db2.gz ZTIGUNRSIQFLEE-ISKFKSNPSA-N 2 1 407.558 3.633 20 0 HHADMP CC(C)[N@@H+](Cc1ccc(NC(=O)C[NH+](C)[C@@H]2CCSC2)cc1)C[C@@H]1CCCCO1 ZINC000540421699 1008426094 /nfs/dbraw/zinc/42/60/94/1008426094.db2.gz HQWXHPKCOJGVCW-YADHBBJMSA-N 2 1 419.635 3.842 20 0 HHADMP CC(C)[N@H+](Cc1ccc(NC(=O)C[NH+](C)[C@@H]2CCSC2)cc1)C[C@@H]1CCCCO1 ZINC000540421699 1008426099 /nfs/dbraw/zinc/42/60/99/1008426099.db2.gz HQWXHPKCOJGVCW-YADHBBJMSA-N 2 1 419.635 3.842 20 0 HHADMP CC(C)[NH+](Cc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCSC2)cc1)C[C@@H]1CCCCO1 ZINC000540421699 1008426101 /nfs/dbraw/zinc/42/61/01/1008426101.db2.gz HQWXHPKCOJGVCW-YADHBBJMSA-N 2 1 419.635 3.842 20 0 HHADMP CC(C)[NH+](Cc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)cc1)C[C@@H]1CCCCO1 ZINC000540421699 1008426106 /nfs/dbraw/zinc/42/61/06/1008426106.db2.gz HQWXHPKCOJGVCW-YADHBBJMSA-N 2 1 419.635 3.842 20 0 HHADMP Cc1cc(C)c(C(=O)CCCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(C)c1 ZINC000519015175 1008501733 /nfs/dbraw/zinc/50/17/33/1008501733.db2.gz UQAQXXBSPOWKFL-UHFFFAOYSA-N 2 1 408.546 3.750 20 0 HHADMP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000519018490 1008502782 /nfs/dbraw/zinc/50/27/82/1008502782.db2.gz OYJZFTJFWILCNX-GHTZIAJQSA-N 2 1 414.619 3.877 20 0 HHADMP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000519018490 1008502784 /nfs/dbraw/zinc/50/27/84/1008502784.db2.gz OYJZFTJFWILCNX-GHTZIAJQSA-N 2 1 414.619 3.877 20 0 HHADMP CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549202869 1008774893 /nfs/dbraw/zinc/77/48/93/1008774893.db2.gz UJLRONSWXVAVCE-LOSJGSFVSA-N 2 1 420.601 3.638 20 0 HHADMP C[N@@H+]1[C@@H]2CC[C@H]1CC([C@H](NC(=O)NC[C@@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1)C2 ZINC000549231554 1008801994 /nfs/dbraw/zinc/80/19/94/1008801994.db2.gz JGSUFJNDAADWSM-NGMPGZOMSA-N 2 1 419.013 3.895 20 0 HHADMP C[NH+]1[C@@H]2CC[C@H]1CC([C@H](NC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1)C2 ZINC000549231554 1008801999 /nfs/dbraw/zinc/80/19/99/1008801999.db2.gz JGSUFJNDAADWSM-NGMPGZOMSA-N 2 1 419.013 3.895 20 0 HHADMP C[NH+]1[C@@H]2CC[C@H]1CC([C@H](NC(=O)NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1)C2 ZINC000549231554 1008802013 /nfs/dbraw/zinc/80/20/13/1008802013.db2.gz JGSUFJNDAADWSM-NGMPGZOMSA-N 2 1 419.013 3.895 20 0 HHADMP C[NH+]1CCN(c2ccccc2-c2noc([C@@H]3CCC[N@@H+]3Cc3ccccc3)n2)CC1 ZINC000545709935 1008803865 /nfs/dbraw/zinc/80/38/65/1008803865.db2.gz JCRWNSIWZLGPKZ-QFIPXVFZSA-N 2 1 403.530 3.826 20 0 HHADMP C[NH+]1CCN(c2ccccc2-c2noc([C@@H]3CCC[N@H+]3Cc3ccccc3)n2)CC1 ZINC000545709935 1008803879 /nfs/dbraw/zinc/80/38/79/1008803879.db2.gz JCRWNSIWZLGPKZ-QFIPXVFZSA-N 2 1 403.530 3.826 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549259169 1008829527 /nfs/dbraw/zinc/82/95/27/1008829527.db2.gz IPINBBONQWBYBD-RTWAWAEBSA-N 2 1 407.961 3.994 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549259169 1008829548 /nfs/dbraw/zinc/82/95/48/1008829548.db2.gz IPINBBONQWBYBD-RTWAWAEBSA-N 2 1 407.961 3.994 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000545907296 1008990089 /nfs/dbraw/zinc/99/00/89/1008990089.db2.gz BXSNFKJWBQLSGQ-KRWDZBQOSA-N 2 1 410.543 3.571 20 0 HHADMP COC(=O)CCCN1CCC([NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000545913007 1008993331 /nfs/dbraw/zinc/99/33/31/1008993331.db2.gz LUCKXPUWBVQODW-HXUWFJFHSA-N 2 1 401.595 3.568 20 0 HHADMP C[NH+](C)C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000549453469 1009043863 /nfs/dbraw/zinc/04/38/63/1009043863.db2.gz CKSUFZBWSHCMFO-NHCUHLMSSA-N 2 1 400.954 3.516 20 0 HHADMP CC[C@H](C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1)[NH+]1CCCC1 ZINC000546163664 1009196034 /nfs/dbraw/zinc/19/60/34/1009196034.db2.gz PAQZLWQVSNTOIH-LJQANCHMSA-N 2 1 422.411 3.826 20 0 HHADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000520095434 1009253522 /nfs/dbraw/zinc/25/35/22/1009253522.db2.gz QALQYZBMKOFPIK-OAQYLSRUSA-N 2 1 424.564 3.737 20 0 HHADMP CN(C)C(=O)N1CCC([NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000549625818 1009253625 /nfs/dbraw/zinc/25/36/25/1009253625.db2.gz JLWNUIADBDYLHP-DRLVYXDUSA-N 2 1 419.013 3.990 20 0 HHADMP CC[N@H+](Cc1ccc(-c2nc(-c3ccc(N4CC[NH+](C)CC4)nc3)no2)cc1)C1CC1 ZINC000546309156 1009326438 /nfs/dbraw/zinc/32/64/38/1009326438.db2.gz VHFCCPKAVPWNTK-UHFFFAOYSA-N 2 1 418.545 3.535 20 0 HHADMP CC[N@@H+](Cc1ccc(-c2nc(-c3ccc(N4CC[NH+](C)CC4)nc3)no2)cc1)C1CC1 ZINC000546309156 1009326459 /nfs/dbraw/zinc/32/64/59/1009326459.db2.gz VHFCCPKAVPWNTK-UHFFFAOYSA-N 2 1 418.545 3.535 20 0 HHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2CCCOc3cc(F)ccc32)c1 ZINC000543774361 1009342057 /nfs/dbraw/zinc/34/20/57/1009342057.db2.gz NXAOCRCVUWEAMG-QFIPXVFZSA-N 2 1 402.510 3.786 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccccc3OC(F)(F)F)c2)C1 ZINC000520227036 1009352407 /nfs/dbraw/zinc/35/24/07/1009352407.db2.gz AGYLKHRHOZJSFC-LJQANCHMSA-N 2 1 421.463 3.572 20 0 HHADMP CCCOc1cccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000543813901 1009376982 /nfs/dbraw/zinc/37/69/82/1009376982.db2.gz MWAYDBPYOIEPHW-SFHVURJKSA-N 2 1 406.530 3.937 20 0 HHADMP Cc1ccc([C@H](OC[C@@H](O)C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c2ccccc2)cc1 ZINC000549839859 1009453102 /nfs/dbraw/zinc/45/31/02/1009453102.db2.gz ALWSAEWCOVFYQA-JIMJEQGWSA-N 2 1 408.586 3.880 20 0 HHADMP Cc1ccc([C@H](OC[C@@H](O)C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c2ccccc2)cc1 ZINC000549839859 1009453107 /nfs/dbraw/zinc/45/31/07/1009453107.db2.gz ALWSAEWCOVFYQA-JIMJEQGWSA-N 2 1 408.586 3.880 20 0 HHADMP Cc1ccc([C@H](OC[C@@H](O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c2ccccc2)cc1 ZINC000549839859 1009453112 /nfs/dbraw/zinc/45/31/12/1009453112.db2.gz ALWSAEWCOVFYQA-JIMJEQGWSA-N 2 1 408.586 3.880 20 0 HHADMP c1cnn(-c2cccc(C[NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CC34CCOCC4)c2)c1 ZINC000549868370 1009488109 /nfs/dbraw/zinc/48/81/09/1009488109.db2.gz VIHISCGKORDEIB-XMMPIXPASA-N 2 1 416.569 3.891 20 0 HHADMP C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000543907637 1009493219 /nfs/dbraw/zinc/49/32/19/1009493219.db2.gz SKAUDDZWIWXJOG-RBUKOAKNSA-N 2 1 410.965 3.786 20 0 HHADMP C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000543907637 1009493227 /nfs/dbraw/zinc/49/32/27/1009493227.db2.gz SKAUDDZWIWXJOG-RBUKOAKNSA-N 2 1 410.965 3.786 20 0 HHADMP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000543998234 1009599527 /nfs/dbraw/zinc/59/95/27/1009599527.db2.gz PDUWOMXHFMVCAC-MSOLQXFVSA-N 2 1 400.567 3.606 20 0 HHADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CC3 ZINC000546603657 1009623525 /nfs/dbraw/zinc/62/35/25/1009623525.db2.gz FEWIQTAOAIQCEF-HXUWFJFHSA-N 2 1 405.542 3.656 20 0 HHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2sccc2Br)c2cccs2)CC1 ZINC000546611530 1009628155 /nfs/dbraw/zinc/62/81/55/1009628155.db2.gz FGDFTAUKIGLQKR-AWEZNQCLSA-N 2 1 400.411 3.650 20 0 HHADMP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)c2ccccc2)CC1 ZINC000546613795 1009629387 /nfs/dbraw/zinc/62/93/87/1009629387.db2.gz RZHAUWDUAFNHDC-HSZRJFAPSA-N 2 1 409.574 3.720 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000544040040 1009642058 /nfs/dbraw/zinc/64/20/58/1009642058.db2.gz TXYXZIUXUQOLQY-RTBURBONSA-N 2 1 414.594 3.710 20 0 HHADMP CCC[NH+]1CCC[C@@H]1C(=O)Nc1ccccc1[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000544041172 1009642775 /nfs/dbraw/zinc/64/27/75/1009642775.db2.gz ABTQMTCBPTUKFF-STZQEDGTSA-N 2 1 414.594 3.551 20 0 HHADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H](C)c1ccccc1NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000544041172 1009642788 /nfs/dbraw/zinc/64/27/88/1009642788.db2.gz ABTQMTCBPTUKFF-STZQEDGTSA-N 2 1 414.594 3.551 20 0 HHADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H](C)c1ccccc1NC(=O)[C@H]1CCC[N@H+]1CCC ZINC000544041172 1009642796 /nfs/dbraw/zinc/64/27/96/1009642796.db2.gz ABTQMTCBPTUKFF-STZQEDGTSA-N 2 1 414.594 3.551 20 0 HHADMP COc1ccc2cc([C@H](C)C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)ccc2c1 ZINC000546724789 1009701319 /nfs/dbraw/zinc/70/13/19/1009701319.db2.gz SJNUVQIODBCNQJ-KRWDZBQOSA-N 2 1 404.514 3.737 20 0 HHADMP NC(=O)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Br)cc1 ZINC000520634323 1009711248 /nfs/dbraw/zinc/71/12/48/1009711248.db2.gz ADLDKQZQNZXZMD-FQEVSTJZSA-N 2 1 416.363 3.751 20 0 HHADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000520733353 1009802928 /nfs/dbraw/zinc/80/29/28/1009802928.db2.gz AQXPSTIFUNQRCA-WIYYLYMNSA-N 2 1 409.496 3.574 20 0 HHADMP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000520733353 1009802946 /nfs/dbraw/zinc/80/29/46/1009802946.db2.gz AQXPSTIFUNQRCA-WIYYLYMNSA-N 2 1 409.496 3.574 20 0 HHADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000520733353 1009802963 /nfs/dbraw/zinc/80/29/63/1009802963.db2.gz AQXPSTIFUNQRCA-WIYYLYMNSA-N 2 1 409.496 3.574 20 0 HHADMP CC(C)[C@](C)(Cc1ccc(Cl)cc1)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000550298896 1009843837 /nfs/dbraw/zinc/84/38/37/1009843837.db2.gz RMDCDRSITIQZJK-QFIPXVFZSA-N 2 1 401.986 3.629 20 0 HHADMP CN(CCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)c1cc[nH+]cc1 ZINC000544262311 1009876371 /nfs/dbraw/zinc/87/63/71/1009876371.db2.gz FCTCQDPISREIRM-UHFFFAOYSA-N 2 1 421.372 3.996 20 0 HHADMP Cc1cc(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)n(C2CC[NH+](C)CC2)n1 ZINC000544279802 1009897022 /nfs/dbraw/zinc/89/70/22/1009897022.db2.gz IQCYOIUWMJCZMS-IBGZPJMESA-N 2 1 424.593 3.904 20 0 HHADMP C[N@H+]1CCN(CCC[NH2+]Cc2c(F)cccc2N2CCCC2)[C@H](c2ccccc2)C1 ZINC000520952016 1010002070 /nfs/dbraw/zinc/00/20/70/1010002070.db2.gz BNWMEWKBATYFQD-VWLOTQADSA-N 2 1 410.581 3.894 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000520983278 1010023686 /nfs/dbraw/zinc/02/36/86/1010023686.db2.gz GMQWMEILJAHEJM-VAMGGRTRSA-N 2 1 411.594 3.805 20 0 HHADMP COc1cc(OC)c(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000544419385 1010035841 /nfs/dbraw/zinc/03/58/41/1010035841.db2.gz DLUWJJZVXFYAPD-LSDHHAIUSA-N 2 1 409.958 3.538 20 0 HHADMP COc1cc(OC)c(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000544419385 1010035858 /nfs/dbraw/zinc/03/58/58/1010035858.db2.gz DLUWJJZVXFYAPD-LSDHHAIUSA-N 2 1 409.958 3.538 20 0 HHADMP Cc1cnc([C@H]([NH2+][C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C2CC2)s1 ZINC000544421176 1010039660 /nfs/dbraw/zinc/03/96/60/1010039660.db2.gz ITMYQEOSOVVSFD-LAUBAEHRSA-N 2 1 412.603 3.662 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C1 ZINC000521070045 1010087411 /nfs/dbraw/zinc/08/74/11/1010087411.db2.gz CNIMDXQDUFNBOW-LJQANCHMSA-N 2 1 409.018 3.925 20 0 HHADMP COc1ccc(-c2nc(C[NH+]3CCC(C)(C[NH+]4CCN(C)CC4)CC3)cs2)cc1 ZINC000544492538 1010116238 /nfs/dbraw/zinc/11/62/38/1010116238.db2.gz GRAYQDFWUCSQKA-UHFFFAOYSA-N 2 1 414.619 3.668 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000550940743 1010269645 /nfs/dbraw/zinc/26/96/45/1010269645.db2.gz XHDHVLRLMMLFMF-CABCVRRESA-N 2 1 415.335 3.844 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000551006383 1010312137 /nfs/dbraw/zinc/31/21/37/1010312137.db2.gz SKOYLVAHHFCDKP-JKFKMHIGSA-N 2 1 407.558 3.830 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000551006383 1010312154 /nfs/dbraw/zinc/31/21/54/1010312154.db2.gz SKOYLVAHHFCDKP-JKFKMHIGSA-N 2 1 407.558 3.830 20 0 HHADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC000544710096 1010318725 /nfs/dbraw/zinc/31/87/25/1010318725.db2.gz PRLFYNOGUXVSKI-NRFANRHFSA-N 2 1 402.970 3.743 20 0 HHADMP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)C2)c1 ZINC000551063835 1010343349 /nfs/dbraw/zinc/34/33/49/1010343349.db2.gz DQGOZXGTRBWBFP-ZJCBTPCYSA-N 2 1 409.574 3.955 20 0 HHADMP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)C2)c1 ZINC000551063835 1010343362 /nfs/dbraw/zinc/34/33/62/1010343362.db2.gz DQGOZXGTRBWBFP-ZJCBTPCYSA-N 2 1 409.574 3.955 20 0 HHADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CCC[N@H+](C)C(C)C)CC1 ZINC000544828681 1010420014 /nfs/dbraw/zinc/42/00/14/1010420014.db2.gz XNSRCHOPMIRHAP-UHFFFAOYSA-N 2 1 410.400 3.682 20 0 HHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000547862840 1010455876 /nfs/dbraw/zinc/45/58/76/1010455876.db2.gz XSVZFIQKYSWKBB-FCHUYYIVSA-N 2 1 409.578 3.530 20 0 HHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000547862840 1010455880 /nfs/dbraw/zinc/45/58/80/1010455880.db2.gz XSVZFIQKYSWKBB-FCHUYYIVSA-N 2 1 409.578 3.530 20 0 HHADMP COc1cc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c(F)cn1 ZINC000551258308 1010474735 /nfs/dbraw/zinc/47/47/35/1010474735.db2.gz FQDIKXGCCJSQJM-AZUAARDMSA-N 2 1 413.537 3.809 20 0 HHADMP COc1cc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c(F)cn1 ZINC000551258308 1010474741 /nfs/dbraw/zinc/47/47/41/1010474741.db2.gz FQDIKXGCCJSQJM-AZUAARDMSA-N 2 1 413.537 3.809 20 0 HHADMP Cc1nc(N2CCC[NH+](C(C)(C)C)CC2)c(N2CCC[N@H+](C(C)(C)C)CC2)nc1C ZINC000547957017 1010483116 /nfs/dbraw/zinc/48/31/16/1010483116.db2.gz OGSUMTBPHCTULY-UHFFFAOYSA-N 2 1 416.658 3.715 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155511 1010547711 /nfs/dbraw/zinc/54/77/11/1010547711.db2.gz XHBFWGWEKMYYMM-MZKRTTBSSA-N 2 1 421.585 3.905 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000521687390 1010551898 /nfs/dbraw/zinc/55/18/98/1010551898.db2.gz PIXZXEPFBAJRMQ-SFHVURJKSA-N 2 1 410.553 3.693 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000548175679 1010552732 /nfs/dbraw/zinc/55/27/32/1010552732.db2.gz GHETUDGFPLWLDC-DEOSSOPVSA-N 2 1 406.574 3.633 20 0 HHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2csc(Br)c2)c2cccs2)CC1 ZINC000521804587 1010631486 /nfs/dbraw/zinc/63/14/86/1010631486.db2.gz SXMZPZWKMVPJNU-CQSZACIVSA-N 2 1 400.411 3.650 20 0 HHADMP C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483577 1010641883 /nfs/dbraw/zinc/64/18/83/1010641883.db2.gz NTVDOZVBVNGJNH-LRQRDZAKSA-N 2 1 403.364 3.983 20 0 HHADMP C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483577 1010641885 /nfs/dbraw/zinc/64/18/85/1010641885.db2.gz NTVDOZVBVNGJNH-LRQRDZAKSA-N 2 1 403.364 3.983 20 0 HHADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)CC3 ZINC000545189483 1010677930 /nfs/dbraw/zinc/67/79/30/1010677930.db2.gz ONHFRTNHAVPRQQ-NRFANRHFSA-N 2 1 418.585 3.571 20 0 HHADMP CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1 ZINC000521878903 1010682245 /nfs/dbraw/zinc/68/22/45/1010682245.db2.gz OGNWENWYDFPBLI-NRFANRHFSA-N 2 1 407.002 3.867 20 0 HHADMP Cc1ccccc1CCNC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000551596165 1010685429 /nfs/dbraw/zinc/68/54/29/1010685429.db2.gz BQWAYVUCFRZEMA-UHFFFAOYSA-N 2 1 405.586 3.642 20 0 HHADMP CC[NH+]1CCC(n2nccc2NC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000521969122 1010743803 /nfs/dbraw/zinc/74/38/03/1010743803.db2.gz AWLJEYPCFGZSHD-HXUWFJFHSA-N 2 1 423.605 3.822 20 0 HHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)C1 ZINC000522323795 1010930243 /nfs/dbraw/zinc/93/02/43/1010930243.db2.gz CPQCBBXNEBWNIQ-TXTKFYIRSA-N 2 1 400.611 3.694 20 0 HHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)cc1 ZINC000522830471 1011266785 /nfs/dbraw/zinc/26/67/85/1011266785.db2.gz WPUAUFSFDLGKCP-PXDATVDWSA-N 2 1 420.601 3.984 20 0 HHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000522830471 1011266799 /nfs/dbraw/zinc/26/67/99/1011266799.db2.gz WPUAUFSFDLGKCP-PXDATVDWSA-N 2 1 420.601 3.984 20 0 HHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000522830471 1011266810 /nfs/dbraw/zinc/26/68/10/1011266810.db2.gz WPUAUFSFDLGKCP-PXDATVDWSA-N 2 1 420.601 3.984 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540717871 1011368932 /nfs/dbraw/zinc/36/89/32/1011368932.db2.gz BTSLBIKXVIIRKS-XPGWFJOJSA-N 2 1 410.965 3.644 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540717871 1011368945 /nfs/dbraw/zinc/36/89/45/1011368945.db2.gz BTSLBIKXVIIRKS-XPGWFJOJSA-N 2 1 410.965 3.644 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)NC[C@H]2CCC[N@H+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540717871 1011368957 /nfs/dbraw/zinc/36/89/57/1011368957.db2.gz BTSLBIKXVIIRKS-XPGWFJOJSA-N 2 1 410.965 3.644 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)NC[C@H]2CCC[N@@H+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540717871 1011368967 /nfs/dbraw/zinc/36/89/67/1011368967.db2.gz BTSLBIKXVIIRKS-XPGWFJOJSA-N 2 1 410.965 3.644 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540718616 1011370489 /nfs/dbraw/zinc/37/04/89/1011370489.db2.gz CXIUILYVHQDOMR-UIAACRFSSA-N 2 1 408.949 3.539 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540718616 1011370496 /nfs/dbraw/zinc/37/04/96/1011370496.db2.gz CXIUILYVHQDOMR-UIAACRFSSA-N 2 1 408.949 3.539 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540718616 1011370507 /nfs/dbraw/zinc/37/05/07/1011370507.db2.gz CXIUILYVHQDOMR-UIAACRFSSA-N 2 1 408.949 3.539 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540718616 1011370519 /nfs/dbraw/zinc/37/05/19/1011370519.db2.gz CXIUILYVHQDOMR-UIAACRFSSA-N 2 1 408.949 3.539 20 0 HHADMP CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000540721058 1011373892 /nfs/dbraw/zinc/37/38/92/1011373892.db2.gz ZHCPFUHONPFQHQ-UXHICEINSA-N 2 1 410.965 3.786 20 0 HHADMP CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000540721058 1011373900 /nfs/dbraw/zinc/37/39/00/1011373900.db2.gz ZHCPFUHONPFQHQ-UXHICEINSA-N 2 1 410.965 3.786 20 0 HHADMP C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000536357260 1011565393 /nfs/dbraw/zinc/56/53/93/1011565393.db2.gz YMSYRVJKYISFIC-HKBOAZHASA-N 2 1 404.986 3.745 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000536357260 1011565404 /nfs/dbraw/zinc/56/54/04/1011565404.db2.gz YMSYRVJKYISFIC-HKBOAZHASA-N 2 1 404.986 3.745 20 0 HHADMP CCOCc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000541028458 1011663686 /nfs/dbraw/zinc/66/36/86/1011663686.db2.gz SKYQMGNKKDSSNT-SFHVURJKSA-N 2 1 406.530 3.684 20 0 HHADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536458797 1011678532 /nfs/dbraw/zinc/67/85/32/1011678532.db2.gz HTPRFZZXPQMCKR-MDYRTPRTSA-N 2 1 410.965 3.503 20 0 HHADMP CCC[NH+]1CC[C@H](CNC(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536458797 1011678540 /nfs/dbraw/zinc/67/85/40/1011678540.db2.gz HTPRFZZXPQMCKR-MDYRTPRTSA-N 2 1 410.965 3.503 20 0 HHADMP CCC[NH+]1CC[C@H](CNC(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536458797 1011678551 /nfs/dbraw/zinc/67/85/51/1011678551.db2.gz HTPRFZZXPQMCKR-MDYRTPRTSA-N 2 1 410.965 3.503 20 0 HHADMP C[C@H](NC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C(C)(C)C[NH+](C)C ZINC000536460382 1011681334 /nfs/dbraw/zinc/68/13/34/1011681334.db2.gz UKCABBKABKXALC-GMBSWORKSA-N 2 1 412.981 3.747 20 0 HHADMP O=C(CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)Nc1ccc2c(c1)OCO2 ZINC000536485988 1011696830 /nfs/dbraw/zinc/69/68/30/1011696830.db2.gz NEIRXZBXJYPGKP-UHFFFAOYSA-N 2 1 421.541 3.732 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)NCCn1cc[nH+]c1C)c1ccc(C(F)(F)F)cc1 ZINC000523305597 1011783323 /nfs/dbraw/zinc/78/33/23/1011783323.db2.gz JGQBEPBIYGJGCQ-GOSISDBHSA-N 2 1 411.472 3.593 20 0 HHADMP C[N@H+](CCNC(=O)C1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1)Cc1ccccc1 ZINC000536679981 1011842827 /nfs/dbraw/zinc/84/28/27/1011842827.db2.gz UYAASTDPZYJZKB-UHFFFAOYSA-N 2 1 417.956 3.939 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1)Cc1ccccc1 ZINC000536679981 1011842842 /nfs/dbraw/zinc/84/28/42/1011842842.db2.gz UYAASTDPZYJZKB-UHFFFAOYSA-N 2 1 417.956 3.939 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)Cc1ccccc1 ZINC000523482678 1011995653 /nfs/dbraw/zinc/99/56/53/1011995653.db2.gz KJEXHFVXTMRYNS-HSZRJFAPSA-N 2 1 400.611 3.599 20 0 HHADMP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000552032745 1012057120 /nfs/dbraw/zinc/05/71/20/1012057120.db2.gz MOTBJKKJDGWRNU-UODIDJSMSA-N 3 1 412.666 3.685 20 0 HHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000552032745 1012057141 /nfs/dbraw/zinc/05/71/41/1012057141.db2.gz MOTBJKKJDGWRNU-UODIDJSMSA-N 3 1 412.666 3.685 20 0 HHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000552032745 1012057154 /nfs/dbraw/zinc/05/71/54/1012057154.db2.gz MOTBJKKJDGWRNU-UODIDJSMSA-N 3 1 412.666 3.685 20 0 HHADMP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000552032744 1012057896 /nfs/dbraw/zinc/05/78/96/1012057896.db2.gz MOTBJKKJDGWRNU-TWJOJJKGSA-N 3 1 412.666 3.685 20 0 HHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000552032744 1012057910 /nfs/dbraw/zinc/05/79/10/1012057910.db2.gz MOTBJKKJDGWRNU-TWJOJJKGSA-N 3 1 412.666 3.685 20 0 HHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000552032744 1012057916 /nfs/dbraw/zinc/05/79/16/1012057916.db2.gz MOTBJKKJDGWRNU-TWJOJJKGSA-N 3 1 412.666 3.685 20 0 HHADMP COc1ccccc1N1CC[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000552061757 1012080137 /nfs/dbraw/zinc/08/01/37/1012080137.db2.gz YUBSHRQSMUWIPI-HRTMPFAESA-N 2 1 407.558 3.833 20 0 HHADMP O=S1(=O)CCc2cc(C[NH2+][C@@H]3CCCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)ccc21 ZINC000552062816 1012081286 /nfs/dbraw/zinc/08/12/86/1012081286.db2.gz HGDOXANROSYWSO-WXFUMESZSA-N 2 1 424.610 3.797 20 0 HHADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)C1 ZINC000536875619 1012117394 /nfs/dbraw/zinc/11/73/94/1012117394.db2.gz IMYNRZQOJLYEJN-SIKLNZKXSA-N 2 1 419.635 3.604 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000536876355 1012119143 /nfs/dbraw/zinc/11/91/43/1012119143.db2.gz KCBJKZIJPFLECQ-KGVIQGDOSA-N 2 1 407.624 3.631 20 0 HHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000523598682 1012161027 /nfs/dbraw/zinc/16/10/27/1012161027.db2.gz XEHIRUWEDPVJDX-OALUTQOASA-N 2 1 406.640 3.770 20 0 HHADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000523598682 1012161035 /nfs/dbraw/zinc/16/10/35/1012161035.db2.gz XEHIRUWEDPVJDX-OALUTQOASA-N 2 1 406.640 3.770 20 0 HHADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000523598682 1012161048 /nfs/dbraw/zinc/16/10/48/1012161048.db2.gz XEHIRUWEDPVJDX-OALUTQOASA-N 2 1 406.640 3.770 20 0 HHADMP COc1ccccc1C[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523611943 1012183378 /nfs/dbraw/zinc/18/33/78/1012183378.db2.gz ISJGOJZTQCEHDD-XMMPIXPASA-N 2 1 421.585 3.614 20 0 HHADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000552169449 1012187477 /nfs/dbraw/zinc/18/74/77/1012187477.db2.gz VQCCQBSIGBYHMY-FQEVSTJZSA-N 2 1 402.489 3.512 20 0 HHADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000552169449 1012187486 /nfs/dbraw/zinc/18/74/86/1012187486.db2.gz VQCCQBSIGBYHMY-FQEVSTJZSA-N 2 1 402.489 3.512 20 0 HHADMP Cc1ccc(OCCC[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1C ZINC000536935078 1012226197 /nfs/dbraw/zinc/22/61/97/1012226197.db2.gz MDHAJGTURZBBAC-FGZHOGPDSA-N 2 1 404.595 3.663 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000536962972 1012255772 /nfs/dbraw/zinc/25/57/72/1012255772.db2.gz LSVHUKYGOCRKRG-QZTJIDSGSA-N 2 1 401.576 3.559 20 0 HHADMP Brc1cnn(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000552332470 1012341059 /nfs/dbraw/zinc/34/10/59/1012341059.db2.gz SYUMKGLYQHJMPI-MISYRCLQSA-N 2 1 403.368 3.536 20 0 HHADMP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000541559249 1012345764 /nfs/dbraw/zinc/34/57/64/1012345764.db2.gz YTXCTNYFOAILAL-RBUKOAKNSA-N 2 1 419.591 3.673 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1 ZINC000523749453 1012373504 /nfs/dbraw/zinc/37/35/04/1012373504.db2.gz QEKUWCOMQUFSED-REWPJTCUSA-N 2 1 424.589 3.710 20 0 HHADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000552365594 1012374904 /nfs/dbraw/zinc/37/49/04/1012374904.db2.gz JXMKCBCKCLRFQL-BVSLBCMMSA-N 2 1 417.544 3.619 20 0 HHADMP O=C([C@@H]1C[NH+](Cc2ccccc2)CCC1(F)F)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000552365594 1012374918 /nfs/dbraw/zinc/37/49/18/1012374918.db2.gz JXMKCBCKCLRFQL-BVSLBCMMSA-N 2 1 417.544 3.619 20 0 HHADMP O=C([C@@H]1C[NH+](Cc2ccccc2)CCC1(F)F)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000552365594 1012374934 /nfs/dbraw/zinc/37/49/34/1012374934.db2.gz JXMKCBCKCLRFQL-BVSLBCMMSA-N 2 1 417.544 3.619 20 0 HHADMP CC[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C)cc1 ZINC000537057629 1012389263 /nfs/dbraw/zinc/38/92/63/1012389263.db2.gz KXKWLHLEYFRNIE-GBXCKJPGSA-N 2 1 409.574 3.573 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)[C@H](C)C1 ZINC000523773257 1012413212 /nfs/dbraw/zinc/41/32/12/1012413212.db2.gz NPYGWZKCDMOPLP-FGZHOGPDSA-N 2 1 422.658 3.611 20 0 HHADMP C[NH+](C)CCCC1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000552404014 1012416767 /nfs/dbraw/zinc/41/67/67/1012416767.db2.gz QJINHKZPIJWZHU-OAQYLSRUSA-N 2 1 407.549 3.724 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc(-c2c(F)cccc2F)n1 ZINC000523858617 1012554850 /nfs/dbraw/zinc/55/48/50/1012554850.db2.gz ULZZOGMNXBFASO-HNNXBMFYSA-N 2 1 422.545 3.576 20 0 HHADMP COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1OC ZINC000537167342 1012569126 /nfs/dbraw/zinc/56/91/26/1012569126.db2.gz FAGUMOTXTVFIJY-HOTGVXAUSA-N 2 1 408.502 3.876 20 0 HHADMP O=C(Cn1c[nH+]c2c1CCCC2)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000541787965 1012659292 /nfs/dbraw/zinc/65/92/92/1012659292.db2.gz OACFYTDLEUEHIW-UHFFFAOYSA-N 2 1 408.590 3.613 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)N(C)C[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)cc1)C1CC1 ZINC000552662062 1012660254 /nfs/dbraw/zinc/66/02/54/1012660254.db2.gz HQWRKQWHORYJEI-XUZZJYLKSA-N 2 1 423.605 3.560 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)cc1)C1CC1 ZINC000552662062 1012660262 /nfs/dbraw/zinc/66/02/62/1012660262.db2.gz HQWRKQWHORYJEI-XUZZJYLKSA-N 2 1 423.605 3.560 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)cc1)C1CC1 ZINC000552662062 1012660269 /nfs/dbraw/zinc/66/02/69/1012660269.db2.gz HQWRKQWHORYJEI-XUZZJYLKSA-N 2 1 423.605 3.560 20 0 HHADMP C[NH+]1CCC[C@@H](CNC(=O)NCC2=CC[N@@H+](C)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000537271837 1012725184 /nfs/dbraw/zinc/72/51/84/1012725184.db2.gz CACOCYSTFFGXSX-ICSRJNTNSA-N 2 1 424.511 3.649 20 0 HHADMP C[NH+]1CC=C(CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000537271837 1012725197 /nfs/dbraw/zinc/72/51/97/1012725197.db2.gz CACOCYSTFFGXSX-ICSRJNTNSA-N 2 1 424.511 3.649 20 0 HHADMP C[NH+]1CC=C(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000537271837 1012725218 /nfs/dbraw/zinc/72/52/18/1012725218.db2.gz CACOCYSTFFGXSX-ICSRJNTNSA-N 2 1 424.511 3.649 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000541889033 1012756131 /nfs/dbraw/zinc/75/61/31/1012756131.db2.gz KTHFGKJKZJJUGZ-DDOAZUFRSA-N 2 1 407.602 3.776 20 0 HHADMP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccc1OC(F)F ZINC000541919151 1012779746 /nfs/dbraw/zinc/77/97/46/1012779746.db2.gz UKXIEJQYSJCWLI-HNAYVOBHSA-N 2 1 406.473 3.714 20 0 HHADMP Cc1cc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000541935678 1012796746 /nfs/dbraw/zinc/79/67/46/1012796746.db2.gz HHMWIAJGFOHHKX-GOSISDBHSA-N 2 1 413.468 3.745 20 0 HHADMP COc1cccc(CN(C)C(=O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1OC ZINC000541955794 1012819695 /nfs/dbraw/zinc/81/96/95/1012819695.db2.gz UXFVXSRXPXEYQO-QGZVFWFLSA-N 2 1 422.529 3.507 20 0 HHADMP CC[N@H+]1CC[C@@H]1CNC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001687421522 1071903705 /nfs/dbraw/zinc/90/37/05/1071903705.db2.gz LYJLUPDZJHCQLZ-RPWUZVMVSA-N 2 1 412.622 3.947 20 0 HHADMP COc1ccc2c(c1)C[C@H]([N@H+]1CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C1)C2 ZINC001168271194 1072022029 /nfs/dbraw/zinc/02/20/29/1072022029.db2.gz GMDHWWUUQGIMDC-BFLUCZKCSA-N 2 1 410.602 3.623 20 0 HHADMP COc1ccc2c(c1)C[C@H]([NH+]1CC[C@]3(C1)C[N@H+](CC1CC1)C[C@H]3COCC1CC1)C2 ZINC001168271194 1072022041 /nfs/dbraw/zinc/02/20/41/1072022041.db2.gz GMDHWWUUQGIMDC-BFLUCZKCSA-N 2 1 410.602 3.623 20 0 HHADMP COc1ccc2c(c1)C[C@H]([NH+]1CC[C@]3(C1)C[N@@H+](CC1CC1)C[C@H]3COCC1CC1)C2 ZINC001168271194 1072022055 /nfs/dbraw/zinc/02/20/55/1072022055.db2.gz GMDHWWUUQGIMDC-BFLUCZKCSA-N 2 1 410.602 3.623 20 0 HHADMP C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCc4sccc4C3)C2)C1 ZINC000487838151 1072099533 /nfs/dbraw/zinc/09/95/33/1072099533.db2.gz LJBISNYQCOSDBT-URXFXBBRSA-N 2 1 424.614 3.585 20 0 HHADMP C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCc4sccc4C3)C2)C1 ZINC000487838151 1072099549 /nfs/dbraw/zinc/09/95/49/1072099549.db2.gz LJBISNYQCOSDBT-URXFXBBRSA-N 2 1 424.614 3.585 20 0 HHADMP C[NH+]1CC[C@]2(CCN(C(=O)NC[C@@H](c3ccccc3)[N@@H+]3CCc4sccc4C3)C2)C1 ZINC000487838151 1072099557 /nfs/dbraw/zinc/09/95/57/1072099557.db2.gz LJBISNYQCOSDBT-URXFXBBRSA-N 2 1 424.614 3.585 20 0 HHADMP C[NH+]1CC[C@]2(CCN(C(=O)NC[C@@H](c3ccccc3)[N@H+]3CCc4sccc4C3)C2)C1 ZINC000487838151 1072099564 /nfs/dbraw/zinc/09/95/64/1072099564.db2.gz LJBISNYQCOSDBT-URXFXBBRSA-N 2 1 424.614 3.585 20 0 HHADMP O[C@H](CN1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1)C[NH+]1CCCC1 ZINC000913116698 1072332450 /nfs/dbraw/zinc/33/24/50/1072332450.db2.gz GWVFPUGFSKZATK-SFHVURJKSA-N 2 1 420.022 3.643 20 0 HHADMP O=c1ccn(C[NH+]2CCC([NH+]3CCCCC3)CC2)c2c(Br)cccc12 ZINC000729848443 1072536032 /nfs/dbraw/zinc/53/60/32/1072536032.db2.gz YSUMOXYOJDQOJM-UHFFFAOYSA-N 2 1 404.352 3.672 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)c1 ZINC000479122172 1072758870 /nfs/dbraw/zinc/75/88/70/1072758870.db2.gz RDLSADGSWVVSSF-JOCHJYFZSA-N 2 1 413.949 3.778 20 0 HHADMP CN(C(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001126870376 1072858034 /nfs/dbraw/zinc/85/80/34/1072858034.db2.gz RUADQYDYWCAYCI-KROBSHITSA-N 2 1 421.585 3.763 20 0 HHADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[NH+]1CCC2(CCCCC2)CC1 ZINC000588169710 1072876418 /nfs/dbraw/zinc/87/64/18/1072876418.db2.gz DNUHWIQUZRYMFU-OAQYLSRUSA-N 2 1 413.606 3.570 20 0 HHADMP C[N@@H+](CCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C)C1CC1 ZINC000554906390 1072942245 /nfs/dbraw/zinc/94/22/45/1072942245.db2.gz MICOSHKKNMBORS-DTHFOOOUSA-N 2 1 404.986 3.647 20 0 HHADMP C[NH+](CCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000554906390 1072942260 /nfs/dbraw/zinc/94/22/60/1072942260.db2.gz MICOSHKKNMBORS-DTHFOOOUSA-N 2 1 404.986 3.647 20 0 HHADMP C[NH+](CCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000554906390 1072942266 /nfs/dbraw/zinc/94/22/66/1072942266.db2.gz MICOSHKKNMBORS-DTHFOOOUSA-N 2 1 404.986 3.647 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1)C1CC1 ZINC000588654646 1073103080 /nfs/dbraw/zinc/10/30/80/1073103080.db2.gz AUOIKURSQDBRLW-WOJBJXKFSA-N 2 1 413.606 3.632 20 0 HHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cnc4cccc(C)n34)CC2)c1C ZINC000572047540 1073121441 /nfs/dbraw/zinc/12/14/41/1073121441.db2.gz LXXRMKJHHYPGLK-UHFFFAOYSA-N 2 1 407.562 3.760 20 0 HHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cnc4cccc(C)n34)CC2)c1C ZINC000572047540 1073121449 /nfs/dbraw/zinc/12/14/49/1073121449.db2.gz LXXRMKJHHYPGLK-UHFFFAOYSA-N 2 1 407.562 3.760 20 0 HHADMP Cc1nc(-c2ccc(CC[NH2+]C[C@@H](O)C[N@@H+](C)Cc3ccccc3)s2)cs1 ZINC000588689661 1073140356 /nfs/dbraw/zinc/14/03/56/1073140356.db2.gz PUHYFYXPAWDZEX-GOSISDBHSA-N 2 1 401.601 3.805 20 0 HHADMP Cc1nc(-c2ccc(CC[NH2+]C[C@@H](O)C[N@H+](C)Cc3ccccc3)s2)cs1 ZINC000588689661 1073140361 /nfs/dbraw/zinc/14/03/61/1073140361.db2.gz PUHYFYXPAWDZEX-GOSISDBHSA-N 2 1 401.601 3.805 20 0 HHADMP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588710196 1073154853 /nfs/dbraw/zinc/15/48/53/1073154853.db2.gz RCTJTLDCZFCLQX-BGYRXZFFSA-N 2 1 401.595 3.878 20 0 HHADMP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588710196 1073154863 /nfs/dbraw/zinc/15/48/63/1073154863.db2.gz RCTJTLDCZFCLQX-BGYRXZFFSA-N 2 1 401.595 3.878 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCOc3ccccc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000588711367 1073156119 /nfs/dbraw/zinc/15/61/19/1073156119.db2.gz ONLRONILFDSQQU-CALCHBBNSA-N 2 1 400.485 3.905 20 0 HHADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000588711290 1073156545 /nfs/dbraw/zinc/15/65/45/1073156545.db2.gz NMAFMOFRLFDURS-AQNXPRMDSA-N 2 1 415.622 3.960 20 0 HHADMP CC[C@H](NC(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(Cl)cc1 ZINC000588711939 1073157610 /nfs/dbraw/zinc/15/76/10/1073157610.db2.gz VEYWEZNKEQZGSO-SVMVAKDDSA-N 2 1 422.013 3.729 20 0 HHADMP CC[C@H](NC(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(Cl)cc1 ZINC000588711939 1073157612 /nfs/dbraw/zinc/15/76/12/1073157612.db2.gz VEYWEZNKEQZGSO-SVMVAKDDSA-N 2 1 422.013 3.729 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1)c1ccsc1 ZINC000555142174 1073195321 /nfs/dbraw/zinc/19/53/21/1073195321.db2.gz HJFTZGVVCXGCAL-HXUWFJFHSA-N 2 1 415.607 3.934 20 0 HHADMP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000572208349 1073227593 /nfs/dbraw/zinc/22/75/93/1073227593.db2.gz IOUJRWSEJUHTAP-UHFFFAOYSA-N 2 1 423.388 3.641 20 0 HHADMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)CC1 ZINC000590786505 1074004205 /nfs/dbraw/zinc/00/42/05/1074004205.db2.gz FKTPVCZHJIBTOI-FQEVSTJZSA-N 2 1 412.534 3.603 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)CC1 ZINC000590786505 1074004209 /nfs/dbraw/zinc/00/42/09/1074004209.db2.gz FKTPVCZHJIBTOI-FQEVSTJZSA-N 2 1 412.534 3.603 20 0 HHADMP CC(C)[NH+]1CCC(N(C)C(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000591648965 1074476660 /nfs/dbraw/zinc/47/66/60/1074476660.db2.gz NXDFLFWSJGLSCH-HXUWFJFHSA-N 2 1 401.595 3.885 20 0 HHADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000591717221 1074480538 /nfs/dbraw/zinc/48/05/38/1074480538.db2.gz WIRROAMWPOJZJI-UHFFFAOYSA-N 2 1 406.368 3.826 20 0 HHADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000591717228 1074480582 /nfs/dbraw/zinc/48/05/82/1074480582.db2.gz YHSZRSPELHDTJZ-UHFFFAOYSA-N 2 1 403.574 3.657 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000593502574 1075205573 /nfs/dbraw/zinc/20/55/73/1075205573.db2.gz UJMDQAYRNKSMSV-DENIHFKCSA-N 2 1 410.562 3.974 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000594294985 1075279210 /nfs/dbraw/zinc/27/92/10/1075279210.db2.gz DBMTYOABKDDUOS-FQEVSTJZSA-N 2 1 420.548 3.589 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@H]([NH+]4[C@@H](C)CC[C@@H]4C)C3)CC2)cs1 ZINC000597723696 1075698213 /nfs/dbraw/zinc/69/82/13/1075698213.db2.gz RPNDDWLQHXOMNY-FIKGOQFSSA-N 2 1 404.624 3.527 20 0 HHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4[NH2+]Cc5ccccc5[C@H]4C3)c2c1C ZINC001164425501 718945027 /nfs/dbraw/zinc/94/50/27/718945027.db2.gz VQACKSHYRDSZEF-WOJBJXKFSA-N 2 1 419.598 3.980 20 0 HHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCC[C@@H]5[NH2+]C[C@@H]54)c23)C1 ZINC001164448931 719000541 /nfs/dbraw/zinc/00/05/41/719000541.db2.gz KCXAMASFTMSELT-NJAFHUGGSA-N 2 1 411.619 3.743 20 0 HHADMP Cc1cccc(Sc2cncc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)n2)c1 ZINC001164680239 719633941 /nfs/dbraw/zinc/63/39/41/719633941.db2.gz TXGDJLZSZXIJSG-UHFFFAOYSA-N 2 1 408.575 3.608 20 0 HHADMP Cc1cccc(Sc2cncc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)n2)c1 ZINC001164680239 719633943 /nfs/dbraw/zinc/63/39/43/719633943.db2.gz TXGDJLZSZXIJSG-UHFFFAOYSA-N 2 1 408.575 3.608 20 0 HHADMP CSc1cnc(Cl)c(C(F)(F)n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c1 ZINC001164680672 719636583 /nfs/dbraw/zinc/63/65/83/719636583.db2.gz ZWLZYOZJVGYRDI-UHFFFAOYSA-N 2 1 415.941 3.737 20 0 HHADMP CSc1cnc(Cl)c(C(F)(F)n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c1 ZINC001164680672 719636594 /nfs/dbraw/zinc/63/65/94/719636594.db2.gz ZWLZYOZJVGYRDI-UHFFFAOYSA-N 2 1 415.941 3.737 20 0 HHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[NH+](CC2CC2)C[C@@H]3COC)nc1 ZINC001164819029 720195277 /nfs/dbraw/zinc/19/52/77/720195277.db2.gz VNHXYIDAFZOGEQ-VDKIKQQVSA-N 2 1 412.622 3.813 20 0 HHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)nc1 ZINC001164819029 720195287 /nfs/dbraw/zinc/19/52/87/720195287.db2.gz VNHXYIDAFZOGEQ-VDKIKQQVSA-N 2 1 412.622 3.813 20 0 HHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)nc1 ZINC001164819029 720195294 /nfs/dbraw/zinc/19/52/94/720195294.db2.gz VNHXYIDAFZOGEQ-VDKIKQQVSA-N 2 1 412.622 3.813 20 0 HHADMP COc1ccc2c(cc[nH+]c2N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164836571 720520769 /nfs/dbraw/zinc/52/07/69/720520769.db2.gz NGKSYTHSUFITAQ-MIZPHKNDSA-N 2 1 405.546 3.818 20 0 HHADMP COc1ccc2c(cc[nH+]c2N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164836571 720520776 /nfs/dbraw/zinc/52/07/76/720520776.db2.gz NGKSYTHSUFITAQ-MIZPHKNDSA-N 2 1 405.546 3.818 20 0 HHADMP COc1ccc2c[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)cc2c1 ZINC001164840693 720575031 /nfs/dbraw/zinc/57/50/31/720575031.db2.gz SPRCCGIXCMDGEW-QZNHQXDQSA-N 2 1 405.546 3.818 20 0 HHADMP COc1ccc2c[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc2c1 ZINC001164840693 720575040 /nfs/dbraw/zinc/57/50/40/720575040.db2.gz SPRCCGIXCMDGEW-QZNHQXDQSA-N 2 1 405.546 3.818 20 0 HHADMP COc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]c2ccccc21 ZINC001164842157 720575431 /nfs/dbraw/zinc/57/54/31/720575431.db2.gz WZWSBDWEYZLWAP-XQBPLPMBSA-N 2 1 405.546 3.818 20 0 HHADMP COc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]c2ccccc21 ZINC001164842157 720575440 /nfs/dbraw/zinc/57/54/40/720575440.db2.gz WZWSBDWEYZLWAP-XQBPLPMBSA-N 2 1 405.546 3.818 20 0 HHADMP COc1ccc2c[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)cc2c1 ZINC001164840688 720576063 /nfs/dbraw/zinc/57/60/63/720576063.db2.gz SPRCCGIXCMDGEW-MQSCRBSSSA-N 2 1 405.546 3.818 20 0 HHADMP COc1ccc2c[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc2c1 ZINC001164840688 720576080 /nfs/dbraw/zinc/57/60/80/720576080.db2.gz SPRCCGIXCMDGEW-MQSCRBSSSA-N 2 1 405.546 3.818 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(-n3ccnc3)cc[nH+]1)CC2 ZINC001164842273 720719929 /nfs/dbraw/zinc/71/99/29/720719929.db2.gz XGPHIVNEBAPRMF-QFIPXVFZSA-N 2 1 403.530 3.527 20 0 HHADMP Cc1cccc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164744798 720853385 /nfs/dbraw/zinc/85/33/85/720853385.db2.gz CJXDDPKQPMYKSA-YPAWHYETSA-N 2 1 402.546 3.514 20 0 HHADMP Cc1cccc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164744798 720853387 /nfs/dbraw/zinc/85/33/87/720853387.db2.gz CJXDDPKQPMYKSA-YPAWHYETSA-N 2 1 402.546 3.514 20 0 HHADMP CCOc1cc[nH+]c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164756912 720888037 /nfs/dbraw/zinc/88/80/37/720888037.db2.gz SCPRYFUZFYMVPH-RDGATRHJSA-N 2 1 422.573 3.630 20 0 HHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)nc1 ZINC001164768936 721235679 /nfs/dbraw/zinc/23/56/79/721235679.db2.gz YUWXLPHKBZPGLN-KMDXXIMOSA-N 2 1 422.621 3.710 20 0 HHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)nc1 ZINC001164768936 721235687 /nfs/dbraw/zinc/23/56/87/721235687.db2.gz YUWXLPHKBZPGLN-KMDXXIMOSA-N 2 1 422.621 3.710 20 0 HHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)nc1 ZINC001164768936 721235695 /nfs/dbraw/zinc/23/56/95/721235695.db2.gz YUWXLPHKBZPGLN-KMDXXIMOSA-N 2 1 422.621 3.710 20 0 HHADMP Cc1cc(N2CCCC2)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]1 ZINC001165023330 721797999 /nfs/dbraw/zinc/79/79/99/721797999.db2.gz JMVKOGLXRJVCGQ-KSEOMHKRSA-N 2 1 406.578 3.517 20 0 HHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C[N@H+](C)C4CC4)cn3)C[C@@H]21 ZINC001165020638 721826406 /nfs/dbraw/zinc/82/64/06/721826406.db2.gz CYHRQCLVFOMJBA-NKKJXINNSA-N 2 1 405.590 3.808 20 0 HHADMP C[NH+](Cc1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1)C1CC1 ZINC001165020638 721826407 /nfs/dbraw/zinc/82/64/07/721826407.db2.gz CYHRQCLVFOMJBA-NKKJXINNSA-N 2 1 405.590 3.808 20 0 HHADMP C[NH+](Cc1ccc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1)C1CC1 ZINC001165020638 721826409 /nfs/dbraw/zinc/82/64/09/721826409.db2.gz CYHRQCLVFOMJBA-NKKJXINNSA-N 2 1 405.590 3.808 20 0 HHADMP Cc1ccc2c([nH+]1)N(Cc1cccnc1)CCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164954538 722006756 /nfs/dbraw/zinc/00/67/56/722006756.db2.gz XVAJHEOEAVHCLN-UHFFFAOYSA-N 2 1 414.557 3.803 20 0 HHADMP C[N@@H+]1CCCC[C@H]1CN1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000301198905 970802738 /nfs/dbraw/zinc/80/27/38/970802738.db2.gz PFXBIOZADABHGV-KRWDZBQOSA-N 2 1 403.368 3.604 20 0 HHADMP C[N@H+]1CCCC[C@H]1CN1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000301198905 970802746 /nfs/dbraw/zinc/80/27/46/970802746.db2.gz PFXBIOZADABHGV-KRWDZBQOSA-N 2 1 403.368 3.604 20 0 HHADMP CC[NH+]1CCN([C@H]2CCN(c3c(C)c(C)[nH+]c4ccc(Br)cc43)C2)CC1 ZINC000301389235 970902114 /nfs/dbraw/zinc/90/21/14/970902114.db2.gz FLDLHULMBGWRLU-SFHVURJKSA-N 2 1 417.395 3.830 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]C2CC(c3cccc(F)c3)C2)c1 ZINC000542136439 1013068775 /nfs/dbraw/zinc/06/87/75/1013068775.db2.gz AWACQQMPPGVFGB-UHFFFAOYSA-N 2 1 411.521 3.522 20 0 HHADMP CCC[N@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000303011473 971453132 /nfs/dbraw/zinc/45/31/32/971453132.db2.gz OUWUOBACPOXMOY-ZRCGQRJVSA-N 2 1 400.611 3.696 20 0 HHADMP CCC[NH+]1CC[C@H](CNC(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000303011473 971453140 /nfs/dbraw/zinc/45/31/40/971453140.db2.gz OUWUOBACPOXMOY-ZRCGQRJVSA-N 2 1 400.611 3.696 20 0 HHADMP CCC[NH+]1CC[C@H](CNC(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000303011473 971453146 /nfs/dbraw/zinc/45/31/46/971453146.db2.gz OUWUOBACPOXMOY-ZRCGQRJVSA-N 2 1 400.611 3.696 20 0 HHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)C[C@@H](C)O1 ZINC000303132665 971520485 /nfs/dbraw/zinc/52/04/85/971520485.db2.gz IPXGSSVBMXJOQF-HZPDHXFCSA-N 2 1 404.942 3.711 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000303166757 971538062 /nfs/dbraw/zinc/53/80/62/971538062.db2.gz FZYVTOHVIDGXCY-QHCPKHFHSA-N 2 1 400.611 3.936 20 0 HHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000303338252 971640536 /nfs/dbraw/zinc/64/05/36/971640536.db2.gz DZBULENRJBTKLF-MRXNPFEDSA-N 2 1 413.484 3.522 20 0 HHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCCOc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000303424673 971705803 /nfs/dbraw/zinc/70/58/03/971705803.db2.gz YUOAWECQFLNLKS-UHFFFAOYSA-N 2 1 415.622 3.629 20 0 HHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCCOc3cccc(C(C)(C)C)c3)CC2)CC1 ZINC000303569483 971862159 /nfs/dbraw/zinc/86/21/59/971862159.db2.gz MNMZJOZDUURSSQ-UHFFFAOYSA-N 2 1 415.622 3.629 20 0 HHADMP C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000303609712 971897484 /nfs/dbraw/zinc/89/74/84/971897484.db2.gz AYQTWFXSPWQBNG-SIKLNZKXSA-N 2 1 417.594 3.655 20 0 HHADMP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000303727310 971981269 /nfs/dbraw/zinc/98/12/69/971981269.db2.gz CNJCLAVZPUODGB-MNEQBICUSA-N 2 1 415.622 3.632 20 0 HHADMP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000303727310 971981274 /nfs/dbraw/zinc/98/12/74/971981274.db2.gz CNJCLAVZPUODGB-MNEQBICUSA-N 2 1 415.622 3.632 20 0 HHADMP C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000537620697 1013165560 /nfs/dbraw/zinc/16/55/60/1013165560.db2.gz VDPYTIQZAALUCX-UZLBHIALSA-N 2 1 419.495 3.830 20 0 HHADMP C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000537620697 1013165567 /nfs/dbraw/zinc/16/55/67/1013165567.db2.gz VDPYTIQZAALUCX-UZLBHIALSA-N 2 1 419.495 3.830 20 0 HHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCSc3ccc(Cl)cc3)CC2)CC1 ZINC000553208926 1013170438 /nfs/dbraw/zinc/17/04/38/1013170438.db2.gz JKWVPVUMGVKIJZ-UHFFFAOYSA-N 2 1 410.027 3.745 20 0 HHADMP CCC[N@H+](Cc1ccc(-n2cncn2)c(F)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000537624441 1013173074 /nfs/dbraw/zinc/17/30/74/1013173074.db2.gz MUGFINQHCOPTEO-UHFFFAOYSA-N 2 1 423.540 3.694 20 0 HHADMP CCC[N@@H+](Cc1ccc(-n2cncn2)c(F)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000537624441 1013173084 /nfs/dbraw/zinc/17/30/84/1013173084.db2.gz MUGFINQHCOPTEO-UHFFFAOYSA-N 2 1 423.540 3.694 20 0 HHADMP Cc1nn2c(C[NH+]3CCC(CC[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)c(C(C)C)nc2s1 ZINC000537658831 1013219400 /nfs/dbraw/zinc/21/94/00/1013219400.db2.gz BJODGVNQMCUBOR-CALCHBBNSA-N 2 1 419.639 3.934 20 0 HHADMP Cc1nn2c(C[NH+]3CCC(CC[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)c(C(C)C)nc2s1 ZINC000537658831 1013219411 /nfs/dbraw/zinc/21/94/11/1013219411.db2.gz BJODGVNQMCUBOR-CALCHBBNSA-N 2 1 419.639 3.934 20 0 HHADMP C[NH+]1CCCC12CCN(Cc1ccccc1CN1CCC3(CCC[N@@H+]3C)CC1)CC2 ZINC000542268449 1013228288 /nfs/dbraw/zinc/22/82/88/1013228288.db2.gz QEGIVBJQQXHRSG-UHFFFAOYSA-N 2 1 410.650 3.807 20 0 HHADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H]3CCCc4ccc(Br)cc43)C2)CC1 ZINC000537678311 1013237313 /nfs/dbraw/zinc/23/73/13/1013237313.db2.gz UAGVFPRXQFLADM-FPOVZHCZSA-N 2 1 406.412 3.927 20 0 HHADMP COCCC[NH+]1CCC(NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000542356889 1013313901 /nfs/dbraw/zinc/31/39/01/1013313901.db2.gz YHHAOGHQDREYBR-UHFFFAOYSA-N 2 1 409.574 3.549 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000553445869 1013359942 /nfs/dbraw/zinc/35/99/42/1013359942.db2.gz FQHMGOJIVWTJSM-DHLKQENFSA-N 2 1 412.622 3.949 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553445869 1013359951 /nfs/dbraw/zinc/35/99/51/1013359951.db2.gz FQHMGOJIVWTJSM-DHLKQENFSA-N 2 1 412.622 3.949 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553445869 1013359959 /nfs/dbraw/zinc/35/99/59/1013359959.db2.gz FQHMGOJIVWTJSM-DHLKQENFSA-N 2 1 412.622 3.949 20 0 HHADMP C[NH+](C)CCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 ZINC000015183991 962679424 /nfs/dbraw/zinc/67/94/24/962679424.db2.gz JJLHIUMVRIMRDX-UHFFFAOYSA-N 2 1 420.557 3.801 20 0 HHADMP CC(C)Oc1cccc(CNC(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000537842768 1013404045 /nfs/dbraw/zinc/40/40/45/1013404045.db2.gz DCEUYOKXRJEHRM-UHFFFAOYSA-N 2 1 424.589 3.724 20 0 HHADMP COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537843545 1013405509 /nfs/dbraw/zinc/40/55/09/1013405509.db2.gz ADHVXYKWUQUWAQ-UXHICEINSA-N 2 1 424.589 3.894 20 0 HHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cnc4cc(C)nn4c3C)CC2)cs1 ZINC000537880216 1013458956 /nfs/dbraw/zinc/45/89/56/1013458956.db2.gz ZGMRJOKQYFGFSS-MRXNPFEDSA-N 2 1 412.607 3.928 20 0 HHADMP COc1cc(OC)c(OC)cc1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000048816614 964064787 /nfs/dbraw/zinc/06/47/87/964064787.db2.gz STYYRDWNPCGPEM-HDICACEKSA-N 2 1 414.546 3.611 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529169 1013470980 /nfs/dbraw/zinc/47/09/80/1013470980.db2.gz QLMIWEPQPPCMKG-ILXRZTDVSA-N 2 1 409.477 3.578 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529169 1013470985 /nfs/dbraw/zinc/47/09/85/1013470985.db2.gz QLMIWEPQPPCMKG-ILXRZTDVSA-N 2 1 409.477 3.578 20 0 HHADMP COc1ccc([C@H](NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C(C)C)cc1 ZINC000542534240 1013479321 /nfs/dbraw/zinc/47/93/21/1013479321.db2.gz RFLSUJMHWNNPEY-LJFZDNNRSA-N 2 1 401.595 3.751 20 0 HHADMP COc1ccc([C@H](NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C(C)C)cc1 ZINC000542534240 1013479325 /nfs/dbraw/zinc/47/93/25/1013479325.db2.gz RFLSUJMHWNNPEY-LJFZDNNRSA-N 2 1 401.595 3.751 20 0 HHADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCC(CCC[NH+](C)C)CC4)nc(N)c23)C1 ZINC000537897305 1013481039 /nfs/dbraw/zinc/48/10/39/1013481039.db2.gz UUTMHJVTIDKBAN-HNNXBMFYSA-N 2 1 401.624 3.952 20 0 HHADMP C[C@H]1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000537897889 1013482204 /nfs/dbraw/zinc/48/22/04/1013482204.db2.gz VKSHNGWVNRNTGG-NRFANRHFSA-N 2 1 421.589 3.604 20 0 HHADMP C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000542593204 1013533320 /nfs/dbraw/zinc/53/33/20/1013533320.db2.gz OSZPLRWHCHFFPF-QGZVFWFLSA-N 2 1 417.985 3.801 20 0 HHADMP CC[NH+](CC)[C@H](C)CNC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000056992321 965242043 /nfs/dbraw/zinc/24/20/43/965242043.db2.gz ZXPJEBNJDLABIJ-MRXNPFEDSA-N 2 1 414.516 3.699 20 0 HHADMP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)C2=O)c1 ZINC000537983499 1013558806 /nfs/dbraw/zinc/55/88/06/1013558806.db2.gz NWWLPJIYOPGRQT-MWTRTKDXSA-N 2 1 420.513 3.654 20 0 HHADMP CC(C)(CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000057168952 965320961 /nfs/dbraw/zinc/32/09/61/965320961.db2.gz FRXFIIBGMXAVLL-UHFFFAOYSA-N 2 1 405.586 3.852 20 0 HHADMP CC[N@H+](CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1)Cc1ccccc1 ZINC000029695438 965461664 /nfs/dbraw/zinc/46/16/64/965461664.db2.gz JOLFWIUHBFDZEY-DEOSSOPVSA-N 2 1 409.574 3.861 20 0 HHADMP CC[N@@H+](CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1)Cc1ccccc1 ZINC000029695438 965461670 /nfs/dbraw/zinc/46/16/70/965461670.db2.gz JOLFWIUHBFDZEY-DEOSSOPVSA-N 2 1 409.574 3.861 20 0 HHADMP COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000057889463 965574010 /nfs/dbraw/zinc/57/40/10/965574010.db2.gz ZWJGGTTXVTUIMS-LJQANCHMSA-N 2 1 415.578 3.697 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000054720006 965621072 /nfs/dbraw/zinc/62/10/72/965621072.db2.gz RVQXURNJAXGKGQ-RDPSFJRHSA-N 2 1 406.574 3.917 20 0 HHADMP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C[N@H+](C)Cc1ccccc1 ZINC000058879940 965937765 /nfs/dbraw/zinc/93/77/65/965937765.db2.gz HBHVXZJLEWCZIU-UHFFFAOYSA-N 2 1 407.480 3.728 20 0 HHADMP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000058879940 965937775 /nfs/dbraw/zinc/93/77/75/965937775.db2.gz HBHVXZJLEWCZIU-UHFFFAOYSA-N 2 1 407.480 3.728 20 0 HHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000538046664 1013619530 /nfs/dbraw/zinc/61/95/30/1013619530.db2.gz YBZGVLTWCHXMDK-CALCHBBNSA-N 2 1 416.484 3.675 20 0 HHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000538046664 1013619535 /nfs/dbraw/zinc/61/95/35/1013619535.db2.gz YBZGVLTWCHXMDK-CALCHBBNSA-N 2 1 416.484 3.675 20 0 HHADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000542715711 1013628396 /nfs/dbraw/zinc/62/83/96/1013628396.db2.gz ZRUUMWGCJOYDKA-PMACEKPBSA-N 2 1 400.611 3.933 20 0 HHADMP COc1ccc([C@@H](CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)[NH+]2CCCCC2)cc1 ZINC000060531029 966192561 /nfs/dbraw/zinc/19/25/61/966192561.db2.gz QOIORHMPXMWXCF-JOCHJYFZSA-N 2 1 416.610 3.738 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000063148919 966762224 /nfs/dbraw/zinc/76/22/24/966762224.db2.gz NULHTHXPMHLLLH-HXUWFJFHSA-N 2 1 402.652 3.627 20 0 HHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000043143684 966916731 /nfs/dbraw/zinc/91/67/31/966916731.db2.gz PVYPCDRKYQVHKS-FQEVSTJZSA-N 2 1 400.592 3.577 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000064228780 967095013 /nfs/dbraw/zinc/09/50/13/967095013.db2.gz LDCJAKWDRYZERK-UHFFFAOYSA-N 2 1 400.611 3.982 20 0 HHADMP COC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(C(F)(F)F)c1 ZINC000542847361 1013706438 /nfs/dbraw/zinc/70/64/38/1013706438.db2.gz QBNGGGUCTDDRQI-NHCUHLMSSA-N 2 1 408.464 3.749 20 0 HHADMP C[C@@H]1CN(C(=O)c2ccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cc2)C[C@H](C)O1 ZINC000542842966 1013703293 /nfs/dbraw/zinc/70/32/93/1013703293.db2.gz GMPOVEGAOQBSOK-BGYRXZFFSA-N 2 1 413.606 3.823 20 0 HHADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000542845522 1013704925 /nfs/dbraw/zinc/70/49/25/1013704925.db2.gz AZDGBEVDUDQUDO-IIBYNOLFSA-N 2 1 408.571 3.931 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438980 967216740 /nfs/dbraw/zinc/21/67/40/967216740.db2.gz LLFJLEITDBFPRX-QGZVFWFLSA-N 2 1 401.501 3.566 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438980 967216743 /nfs/dbraw/zinc/21/67/43/967216743.db2.gz LLFJLEITDBFPRX-QGZVFWFLSA-N 2 1 401.501 3.566 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(N2CCCC2=O)c1 ZINC000542848721 1013707226 /nfs/dbraw/zinc/70/72/26/1013707226.db2.gz AYGYBKIWHFLYSD-DVECYGJZSA-N 2 1 407.558 3.621 20 0 HHADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000542848113 1013707573 /nfs/dbraw/zinc/70/75/73/1013707573.db2.gz HQDFZAORUCPGBC-KBMIEXCESA-N 2 1 404.558 3.988 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000542848113 1013707582 /nfs/dbraw/zinc/70/75/82/1013707582.db2.gz HQDFZAORUCPGBC-KBMIEXCESA-N 3 1 404.558 3.988 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000542848113 1013707590 /nfs/dbraw/zinc/70/75/90/1013707590.db2.gz HQDFZAORUCPGBC-KBMIEXCESA-N 3 1 404.558 3.988 20 0 HHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)C1 ZINC000542850558 1013709054 /nfs/dbraw/zinc/70/90/54/1013709054.db2.gz YXNMFGGSOLTCPQ-LAUBAEHRSA-N 2 1 419.338 3.932 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000065550459 967515868 /nfs/dbraw/zinc/51/58/68/967515868.db2.gz XHZJAUOWZXEFIB-IBGZPJMESA-N 2 1 400.611 3.769 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NCCOc2cccc(Cl)c2)cc1 ZINC000542885876 1013733644 /nfs/dbraw/zinc/73/36/44/1013733644.db2.gz KQSJOJBIICHNQB-MRXNPFEDSA-N 2 1 412.921 3.680 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000554031430 1013764303 /nfs/dbraw/zinc/76/43/03/1013764303.db2.gz GIBVMBRKYPKZHD-MPSQCAORSA-N 2 1 420.548 3.757 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000554031430 1013764304 /nfs/dbraw/zinc/76/43/04/1013764304.db2.gz GIBVMBRKYPKZHD-MPSQCAORSA-N 2 1 420.548 3.757 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000047935856 968369955 /nfs/dbraw/zinc/36/99/55/968369955.db2.gz XPLAELXDWIOGIW-QFIPXVFZSA-N 2 1 400.542 3.768 20 0 HHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000047977483 968381312 /nfs/dbraw/zinc/38/13/12/968381312.db2.gz NQHILDJCEWWIGM-UHFFFAOYSA-N 2 1 403.901 3.934 20 0 HHADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000066037667 968778167 /nfs/dbraw/zinc/77/81/67/968778167.db2.gz JKBPCTMETCGFMZ-UHFFFAOYSA-N 2 1 412.622 3.779 20 0 HHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000554190208 1013845527 /nfs/dbraw/zinc/84/55/27/1013845527.db2.gz YHFUXXWUEJIDHA-UHFFFAOYSA-N 2 1 410.562 3.757 20 0 HHADMP COc1c(Br)cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000097604716 969178354 /nfs/dbraw/zinc/17/83/54/969178354.db2.gz NSAKENNJCRTSGS-PWSUYJOCSA-N 2 1 406.162 3.793 20 0 HHADMP COc1c(Br)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1Br ZINC000097604716 969178359 /nfs/dbraw/zinc/17/83/59/969178359.db2.gz NSAKENNJCRTSGS-PWSUYJOCSA-N 2 1 406.162 3.793 20 0 HHADMP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)CC2)c1 ZINC000105294740 969228755 /nfs/dbraw/zinc/22/87/55/969228755.db2.gz QRUSCYSWCMFFSH-OAQYLSRUSA-N 2 1 412.603 3.721 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCCCC[NH+]3CCCC[C@H]3C)cc2)C[C@H](C)O1 ZINC000109121118 969465086 /nfs/dbraw/zinc/46/50/86/969465086.db2.gz VUINZWOBCFQCTB-NJYVYQBISA-N 2 1 401.595 3.680 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCCCC[NH+]3CCCC[C@H]3C)cc2)C[C@H](C)O1 ZINC000109121118 969465094 /nfs/dbraw/zinc/46/50/94/969465094.db2.gz VUINZWOBCFQCTB-NJYVYQBISA-N 2 1 401.595 3.680 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)cc2)C[C@H](C)O1 ZINC000109121118 969465095 /nfs/dbraw/zinc/46/50/95/969465095.db2.gz VUINZWOBCFQCTB-NJYVYQBISA-N 2 1 401.595 3.680 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NCCCC[N@H+]3CCCC[C@H]3C)cc2)C[C@H](C)O1 ZINC000109121118 969465112 /nfs/dbraw/zinc/46/51/12/969465112.db2.gz VUINZWOBCFQCTB-NJYVYQBISA-N 2 1 401.595 3.680 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000110149174 969630070 /nfs/dbraw/zinc/63/00/70/969630070.db2.gz DUBYFEPKEWWISM-FPOVZHCZSA-N 2 1 411.512 3.678 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000110149174 969630073 /nfs/dbraw/zinc/63/00/73/969630073.db2.gz DUBYFEPKEWWISM-FPOVZHCZSA-N 2 1 411.512 3.678 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000110149174 969630077 /nfs/dbraw/zinc/63/00/77/969630077.db2.gz DUBYFEPKEWWISM-FPOVZHCZSA-N 2 1 411.512 3.678 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)CC2)cs1 ZINC000110439171 969668196 /nfs/dbraw/zinc/66/81/96/969668196.db2.gz XXUXDMQSKYYUTM-JOCHJYFZSA-N 2 1 412.603 3.617 20 0 HHADMP C[C@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000110909608 969739660 /nfs/dbraw/zinc/73/96/60/969739660.db2.gz VZFVGMGHMHTKOC-QGZVFWFLSA-N 2 1 400.954 3.906 20 0 HHADMP C[C@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000110909608 969739663 /nfs/dbraw/zinc/73/96/63/969739663.db2.gz VZFVGMGHMHTKOC-QGZVFWFLSA-N 2 1 400.954 3.906 20 0 HHADMP O=C(NCCC[NH+]1CCCCCC1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000111067652 969770445 /nfs/dbraw/zinc/77/04/45/969770445.db2.gz OYLZDVBTQDPFOE-NRFANRHFSA-N 2 1 411.512 3.823 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NCC(C)(C)[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)cs1 ZINC000111215254 969806087 /nfs/dbraw/zinc/80/60/87/969806087.db2.gz JUQYHIKZULIQGJ-CALCHBBNSA-N 2 1 406.640 3.536 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NCC(C)(C)[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)cs1 ZINC000111215254 969806089 /nfs/dbraw/zinc/80/60/89/969806089.db2.gz JUQYHIKZULIQGJ-CALCHBBNSA-N 2 1 406.640 3.536 20 0 HHADMP COC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cccc(Cl)c1F ZINC000554363270 1013921922 /nfs/dbraw/zinc/92/19/22/1013921922.db2.gz DPVAUBOMVRCIEX-OAQYLSRUSA-N 2 1 406.929 3.913 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000142198667 970145813 /nfs/dbraw/zinc/14/58/13/970145813.db2.gz KLLQAJXYSUYNIX-LJQANCHMSA-N 2 1 406.640 3.914 20 0 HHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000236862976 970182333 /nfs/dbraw/zinc/18/23/33/970182333.db2.gz YSKUVTSFJWPLOP-WMLDXEAASA-N 2 1 414.344 3.584 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000236862976 970182339 /nfs/dbraw/zinc/18/23/39/970182339.db2.gz YSKUVTSFJWPLOP-WMLDXEAASA-N 2 1 414.344 3.584 20 0 HHADMP CCC[N@H+]1CC[C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000144273837 970226849 /nfs/dbraw/zinc/22/68/49/970226849.db2.gz CXLHVEAEIWXZIZ-GOSISDBHSA-N 2 1 414.516 3.511 20 0 HHADMP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000237171737 970235111 /nfs/dbraw/zinc/23/51/11/970235111.db2.gz XZOYQWGDYFFYEY-UHFFFAOYSA-N 2 1 424.420 3.664 20 0 HHADMP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000237393118 970276482 /nfs/dbraw/zinc/27/64/82/970276482.db2.gz JKVGZQFXMWQTOE-GOSISDBHSA-N 2 1 411.546 3.675 20 0 HHADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C1 ZINC000237560917 970313468 /nfs/dbraw/zinc/31/34/68/970313468.db2.gz CVRFVWCXMGTYMM-OALUTQOASA-N 2 1 412.578 3.706 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000237588002 970317980 /nfs/dbraw/zinc/31/79/80/970317980.db2.gz HITLHIFPSLSNKG-LJQANCHMSA-N 2 1 400.530 3.924 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)c1 ZINC000237884917 970389479 /nfs/dbraw/zinc/38/94/79/970389479.db2.gz PMVFWFLMERFKSG-UHFFFAOYSA-N 2 1 421.463 3.656 20 0 HHADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1 ZINC000237913470 970392412 /nfs/dbraw/zinc/39/24/12/970392412.db2.gz ITWQWKAUFJJGNZ-MRXNPFEDSA-N 2 1 409.452 3.642 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1 ZINC000237913470 970392419 /nfs/dbraw/zinc/39/24/19/970392419.db2.gz ITWQWKAUFJJGNZ-MRXNPFEDSA-N 2 1 409.452 3.642 20 0 HHADMP O=C(CC[NH2+]CCC[N@@H+]1CCc2ccccc2C1)Nc1ccc(Br)cc1 ZINC000554597067 1013986127 /nfs/dbraw/zinc/98/61/27/1013986127.db2.gz ZYETYRSPUSOQHC-UHFFFAOYSA-N 2 1 416.363 3.816 20 0 HHADMP O=C(CC[NH2+]CCC[N@H+]1CCc2ccccc2C1)Nc1ccc(Br)cc1 ZINC000554597067 1013986131 /nfs/dbraw/zinc/98/61/31/1013986131.db2.gz ZYETYRSPUSOQHC-UHFFFAOYSA-N 2 1 416.363 3.816 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cnc(-c4ccccc4)s3)c2)C1 ZINC000237940802 970400673 /nfs/dbraw/zinc/40/06/73/970400673.db2.gz OCQFFVDEVGBJTL-NRFANRHFSA-N 2 1 420.582 3.797 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(-c4ccncc4)c3)c2)C1 ZINC000237940702 970401227 /nfs/dbraw/zinc/40/12/27/970401227.db2.gz MJACXJFPNAIVJO-VWLOTQADSA-N 2 1 414.553 3.736 20 0 HHADMP OC1CC[NH+](CCC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000238158903 970452397 /nfs/dbraw/zinc/45/23/97/970452397.db2.gz GBFLDLANPLFOQN-UHFFFAOYSA-N 2 1 404.558 3.535 20 0 HHADMP COc1ccc(-c2n[nH]cc2C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000165450152 970458629 /nfs/dbraw/zinc/45/86/29/970458629.db2.gz SGTLIJGBZZAXFW-GOSISDBHSA-N 2 1 406.530 3.596 20 0 HHADMP COc1ccc(-c2n[nH]cc2C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000165450152 970458644 /nfs/dbraw/zinc/45/86/44/970458644.db2.gz SGTLIJGBZZAXFW-GOSISDBHSA-N 2 1 406.530 3.596 20 0 HHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000554691501 1014014564 /nfs/dbraw/zinc/01/45/64/1014014564.db2.gz IMENJPHGRRBQJE-LJQANCHMSA-N 2 1 412.553 3.610 20 0 HHADMP CCOc1c(Br)cc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1Br ZINC000312511008 972632432 /nfs/dbraw/zinc/63/24/32/972632432.db2.gz NCQGZWUPSYJZFH-LLVKDONJSA-N 2 1 408.178 3.898 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000554820707 1014059727 /nfs/dbraw/zinc/05/97/27/1014059727.db2.gz XYZLXLFCWACCFM-DEOSSOPVSA-N 2 1 405.586 3.993 20 0 HHADMP CC(C)(C)OC(=O)N1CCC(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000390568353 972825700 /nfs/dbraw/zinc/82/57/00/972825700.db2.gz BBQOYEPUBFCGBB-QFIPXVFZSA-N 2 1 417.594 3.514 20 0 HHADMP CC(C)(C)OC(=O)N1CCC(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000390568353 972825712 /nfs/dbraw/zinc/82/57/12/972825712.db2.gz BBQOYEPUBFCGBB-QFIPXVFZSA-N 2 1 417.594 3.514 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000410351750 973943002 /nfs/dbraw/zinc/94/30/02/973943002.db2.gz HHSKISXUUMTAAA-OFVILXPXSA-N 2 1 420.601 3.992 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000410351750 973943015 /nfs/dbraw/zinc/94/30/15/973943015.db2.gz HHSKISXUUMTAAA-OFVILXPXSA-N 2 1 420.601 3.992 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000410351750 973943051 /nfs/dbraw/zinc/94/30/51/973943051.db2.gz HHSKISXUUMTAAA-OFVILXPXSA-N 2 1 420.601 3.992 20 0 HHADMP CC[N@@H+](CCNC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1)CCC(F)(F)F ZINC000425990515 974103506 /nfs/dbraw/zinc/10/35/06/974103506.db2.gz MNQGLDRNZAJETI-SFHVURJKSA-N 2 1 414.516 3.567 20 0 HHADMP CC[NH+](CCNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)CCC(F)(F)F ZINC000425990515 974103510 /nfs/dbraw/zinc/10/35/10/974103510.db2.gz MNQGLDRNZAJETI-SFHVURJKSA-N 2 1 414.516 3.567 20 0 HHADMP CC[NH+](CCNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)CCC(F)(F)F ZINC000425990515 974103516 /nfs/dbraw/zinc/10/35/16/974103516.db2.gz MNQGLDRNZAJETI-SFHVURJKSA-N 2 1 414.516 3.567 20 0 HHADMP COc1ccc(CC[C@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1O ZINC000426149729 974266735 /nfs/dbraw/zinc/26/67/35/974266735.db2.gz BVPGIRARCIUNOX-INIZCTEOSA-N 2 1 401.551 3.829 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C(C)(C)c1ccc(F)cc1 ZINC000426640077 974577437 /nfs/dbraw/zinc/57/74/37/974577437.db2.gz ZQQONSFYQOGEHI-UHFFFAOYSA-N 2 1 403.586 3.758 20 0 HHADMP CSc1cccc(NC(=O)C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000426805795 974674143 /nfs/dbraw/zinc/67/41/43/974674143.db2.gz FSGUNDSRAPMMIX-HDICACEKSA-N 2 1 405.608 3.558 20 0 HHADMP CSc1cccc(NC(=O)C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000426805795 974674149 /nfs/dbraw/zinc/67/41/49/974674149.db2.gz FSGUNDSRAPMMIX-HDICACEKSA-N 2 1 405.608 3.558 20 0 HHADMP C[C@@H](C(=O)NCCC1=CCCCC1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426814228 974679860 /nfs/dbraw/zinc/67/98/60/974679860.db2.gz DKEBYYZXAQBHCH-HBMCJLEFSA-N 2 1 405.627 3.593 20 0 HHADMP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@H](c3cccc(Cl)c3)[NH+](C)C)CC2)C[C@@H](C)O1 ZINC000427321627 975051478 /nfs/dbraw/zinc/05/14/78/975051478.db2.gz QGIDLVHIPZUERZ-HMFYCAOWSA-N 2 1 422.013 3.681 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000428328242 975634243 /nfs/dbraw/zinc/63/42/43/975634243.db2.gz XUDFIKBIRDRBPK-BGYRXZFFSA-N 2 1 412.622 3.838 20 0 HHADMP OC[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Cc1cccc(Br)c1 ZINC000428544388 975849729 /nfs/dbraw/zinc/84/97/29/975849729.db2.gz JKIJMZUNTSBYCP-FQEVSTJZSA-N 2 1 417.391 3.854 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000428643786 975945735 /nfs/dbraw/zinc/94/57/35/975945735.db2.gz RUXYUPJVHQLNMD-FUPPJEDESA-N 2 1 400.611 3.851 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000428643786 975945739 /nfs/dbraw/zinc/94/57/39/975945739.db2.gz RUXYUPJVHQLNMD-FUPPJEDESA-N 2 1 400.611 3.851 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000428643786 975945745 /nfs/dbraw/zinc/94/57/45/975945745.db2.gz RUXYUPJVHQLNMD-FUPPJEDESA-N 2 1 400.611 3.851 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)[nH+]1 ZINC000428868035 976158664 /nfs/dbraw/zinc/15/86/64/976158664.db2.gz SGBCRTBFZDLYSQ-REWPJTCUSA-N 2 1 421.589 3.711 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)[nH+]1 ZINC000428868035 976158668 /nfs/dbraw/zinc/15/86/68/976158668.db2.gz SGBCRTBFZDLYSQ-REWPJTCUSA-N 2 1 421.589 3.711 20 0 HHADMP C[C@H]1C[C@H](NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000428914112 976215440 /nfs/dbraw/zinc/21/54/40/976215440.db2.gz XYNQQZDOJPQMQZ-PGRDOPGGSA-N 2 1 412.553 3.740 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000429057432 976344224 /nfs/dbraw/zinc/34/42/24/976344224.db2.gz AWIVRAVHNUCASW-FCHUYYIVSA-N 2 1 420.548 3.662 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000429057432 976344237 /nfs/dbraw/zinc/34/42/37/976344237.db2.gz AWIVRAVHNUCASW-FCHUYYIVSA-N 2 1 420.548 3.662 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000429079316 976363960 /nfs/dbraw/zinc/36/39/60/976363960.db2.gz AGZYRCAIKPQHBB-ZJSXRUAMSA-N 2 1 405.586 3.925 20 0 HHADMP C[C@@H]1CN(CCCCC[N@H+]2CCN(C3CCC3)C[C@H](C)C2)CC[NH+](C2CCC2)C1 ZINC000429356182 976622312 /nfs/dbraw/zinc/62/23/12/976622312.db2.gz UEAILBCPEGTHFZ-DHIUTWEWSA-N 2 1 404.687 3.769 20 0 HHADMP C[C@@H]1CN(CCCCC[NH+]2CCN(C3CCC3)C[C@H](C)C2)CC[N@@H+](C2CCC2)C1 ZINC000429356182 976622320 /nfs/dbraw/zinc/62/23/20/976622320.db2.gz UEAILBCPEGTHFZ-DHIUTWEWSA-N 2 1 404.687 3.769 20 0 HHADMP C[C@@H]1CN(CCCCC[NH+]2CCN(C3CCC3)C[C@H](C)C2)CC[N@H+](C2CCC2)C1 ZINC000429356182 976622327 /nfs/dbraw/zinc/62/23/27/976622327.db2.gz UEAILBCPEGTHFZ-DHIUTWEWSA-N 2 1 404.687 3.769 20 0 HHADMP C[C@@H]1CN(CCCCCN2CC[N@@H+](C3CCC3)C[C@H](C)C2)CC[NH+](C2CCC2)C1 ZINC000429356182 976622334 /nfs/dbraw/zinc/62/23/34/976622334.db2.gz UEAILBCPEGTHFZ-DHIUTWEWSA-N 2 1 404.687 3.769 20 0 HHADMP C[C@@H]1CN(CCCCCN2CC[N@H+](C3CCC3)C[C@H](C)C2)CC[NH+](C2CCC2)C1 ZINC000429356182 976622337 /nfs/dbraw/zinc/62/23/37/976622337.db2.gz UEAILBCPEGTHFZ-DHIUTWEWSA-N 2 1 404.687 3.769 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)[C@H](C)C1 ZINC000429457593 976730767 /nfs/dbraw/zinc/73/07/67/976730767.db2.gz UZFGGXDZLRDIOZ-QLBRKBSLSA-N 2 1 406.586 3.626 20 0 HHADMP CCC[NH+]1CCC(N(C)C(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000429504484 976759883 /nfs/dbraw/zinc/75/98/83/976759883.db2.gz QJWVYEPEAIHUHE-HSZRJFAPSA-N 2 1 414.638 3.975 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)NCc2ccccc2COc2ccccc2)[C@@H](C)C1 ZINC000429798601 977075149 /nfs/dbraw/zinc/07/51/49/977075149.db2.gz JKCVJJQQPACYCM-GBXCKJPGSA-N 2 1 409.574 3.544 20 0 HHADMP C[C@H](NC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000430236854 977411000 /nfs/dbraw/zinc/41/10/00/977411000.db2.gz CDAVKIDFLBTXOL-HOKHCIIBSA-N 2 1 412.622 3.993 20 0 HHADMP C[C@H](NC(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000430236854 977411005 /nfs/dbraw/zinc/41/10/05/977411005.db2.gz CDAVKIDFLBTXOL-HOKHCIIBSA-N 2 1 412.622 3.993 20 0 HHADMP C[C@H](NC(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000430236854 977411011 /nfs/dbraw/zinc/41/10/11/977411011.db2.gz CDAVKIDFLBTXOL-HOKHCIIBSA-N 2 1 412.622 3.993 20 0 HHADMP Cc1ccc(SCC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000430665260 977676949 /nfs/dbraw/zinc/67/69/49/977676949.db2.gz AOHQDGLXOBSCCU-UHFFFAOYSA-N 2 1 403.636 3.742 20 0 HHADMP CCO[C@@H](CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1=CCCC1 ZINC000430666648 977678659 /nfs/dbraw/zinc/67/86/59/977678659.db2.gz CRHLRFNXZLVRGB-QHCPKHFHSA-N 2 1 405.627 3.547 20 0 HHADMP CCOc1ccccc1CCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430673877 977684825 /nfs/dbraw/zinc/68/48/25/977684825.db2.gz GXIWQDAXUWVBJE-UHFFFAOYSA-N 2 1 415.622 3.673 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000430674279 977685628 /nfs/dbraw/zinc/68/56/28/977685628.db2.gz ALXXJHDLIRTGGP-FCHUYYIVSA-N 2 1 419.560 3.723 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1c(F)c(F)cc(F)c1F ZINC000430675436 977686827 /nfs/dbraw/zinc/68/68/27/977686827.db2.gz MNKANNHBEXMMJT-UHFFFAOYSA-N 2 1 415.475 3.511 20 0 HHADMP Cc1cc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc2ccccc12 ZINC000430682020 977691689 /nfs/dbraw/zinc/69/16/89/977691689.db2.gz GBXZMMJXDYNCKU-UHFFFAOYSA-N 2 1 408.590 3.812 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1(c2cccc(F)c2)CCC1 ZINC000430682528 977692377 /nfs/dbraw/zinc/69/23/77/977692377.db2.gz HPPLZIWKVIVIDJ-UHFFFAOYSA-N 2 1 415.597 3.902 20 0 HHADMP C[C@@H](CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc(F)c1 ZINC000430683226 977692665 /nfs/dbraw/zinc/69/26/65/977692665.db2.gz YYMYLFTWFXHLID-IBGZPJMESA-N 2 1 403.586 3.974 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@]1(C)CCc2ccccc2C1 ZINC000430682251 977692682 /nfs/dbraw/zinc/69/26/82/977692682.db2.gz WQBWHLITFSYLBN-SANMLTNESA-N 2 1 411.634 3.836 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cccc(-n2cccc2)c1 ZINC000430685635 977694140 /nfs/dbraw/zinc/69/41/40/977694140.db2.gz RPZVUBIWCQCZKG-UHFFFAOYSA-N 2 1 408.590 3.746 20 0 HHADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](CCc2ccccn2)Cc2cccnc2)CC1 ZINC000430871817 977836367 /nfs/dbraw/zinc/83/63/67/977836367.db2.gz YDNCGJRNWIGDTD-UHFFFAOYSA-N 2 1 415.585 3.863 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C/C=C\c1cccc(F)c1 ZINC000431054741 977983183 /nfs/dbraw/zinc/98/31/83/977983183.db2.gz UNTILJXFIAAMBG-XQRVVYSFSA-N 2 1 401.570 3.884 20 0 HHADMP CC(C)c1csc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000431109422 978024032 /nfs/dbraw/zinc/02/40/32/978024032.db2.gz WNHAPICYHANESI-UHFFFAOYSA-N 2 1 407.628 3.927 20 0 HHADMP Cc1cc(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)n(C2CC[NH+](C)CC2)n1 ZINC000431151037 978052452 /nfs/dbraw/zinc/05/24/52/978052452.db2.gz IMMAACGORGADRB-IBGZPJMESA-N 2 1 418.973 3.536 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000431675383 978428571 /nfs/dbraw/zinc/42/85/71/978428571.db2.gz IEJDTADNPOITAK-HUVFLSCGSA-N 2 1 408.590 3.512 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000431688851 978436672 /nfs/dbraw/zinc/43/66/72/978436672.db2.gz FIWMEYUQANMPDW-AGILITTLSA-N 2 1 406.574 3.738 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000431688851 978436673 /nfs/dbraw/zinc/43/66/73/978436673.db2.gz FIWMEYUQANMPDW-AGILITTLSA-N 2 1 406.574 3.738 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000431688851 978436675 /nfs/dbraw/zinc/43/66/75/978436675.db2.gz FIWMEYUQANMPDW-AGILITTLSA-N 2 1 406.574 3.738 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000431688851 978436677 /nfs/dbraw/zinc/43/66/77/978436677.db2.gz FIWMEYUQANMPDW-AGILITTLSA-N 2 1 406.574 3.738 20 0 HHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000431690589 978438021 /nfs/dbraw/zinc/43/80/21/978438021.db2.gz KCBWMCSBKHQULN-FPOVZHCZSA-N 2 1 401.599 3.559 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000431775969 978503633 /nfs/dbraw/zinc/50/36/33/978503633.db2.gz LLVVZLLVHYECBV-QHCPKHFHSA-N 2 1 416.585 3.651 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000431799893 978522450 /nfs/dbraw/zinc/52/24/50/978522450.db2.gz KDBPZFLKLDWGDF-DEOSSOPVSA-N 2 1 412.622 3.975 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000431799894 978522497 /nfs/dbraw/zinc/52/24/97/978522497.db2.gz KDBPZFLKLDWGDF-XMMPIXPASA-N 2 1 412.622 3.975 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCCc1cccc(Cl)c1 ZINC000431872870 978566901 /nfs/dbraw/zinc/56/69/01/978566901.db2.gz VONSWICKOXFCQO-UHFFFAOYSA-N 2 1 421.029 3.720 20 0 HHADMP CC[C@@H](NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nc(C)cs1 ZINC000431995303 978636447 /nfs/dbraw/zinc/63/64/47/978636447.db2.gz ZQOWEWGGHSUHER-HXUWFJFHSA-N 2 1 421.655 3.740 20 0 HHADMP CC1CC[NH+](CCc2cccc(NC(=O)NCCC[N@H+]3CCCO[C@H](C)C3)c2)CC1 ZINC000433094727 979070745 /nfs/dbraw/zinc/07/07/45/979070745.db2.gz YEAIMARMTYGVKF-OAQYLSRUSA-N 2 1 416.610 3.583 20 0 HHADMP CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000433125537 979086438 /nfs/dbraw/zinc/08/64/38/979086438.db2.gz KZIONUPAOHOZGN-UHFFFAOYSA-N 2 1 420.557 3.572 20 0 HHADMP CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000433125537 979086455 /nfs/dbraw/zinc/08/64/55/979086455.db2.gz KZIONUPAOHOZGN-UHFFFAOYSA-N 2 1 420.557 3.572 20 0 HHADMP COc1ccccc1COC[C@H](O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433192218 979131757 /nfs/dbraw/zinc/13/17/57/979131757.db2.gz KEKCSXOYMIOGIB-XMMPIXPASA-N 2 1 424.585 3.561 20 0 HHADMP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000435060276 980604637 /nfs/dbraw/zinc/60/46/37/980604637.db2.gz SJSNFDHJGZCDJO-UHFFFAOYSA-N 3 1 407.606 3.741 20 0 HHADMP Cc1cc(NC(=O)c2ccc(C[NH+](C)C)cc2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435286731 980760363 /nfs/dbraw/zinc/76/03/63/980760363.db2.gz DLSMPKLBVFSBIK-HSZRJFAPSA-N 2 1 417.557 3.952 20 0 HHADMP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cc(C)nn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000435525108 980919714 /nfs/dbraw/zinc/91/97/14/980919714.db2.gz HWVMTDVBQRFHFG-VXKWHMMOSA-N 2 1 424.593 3.587 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CC[C@@H](Cc4ccccc4)C3)c2)C1 ZINC000436227600 981259417 /nfs/dbraw/zinc/25/94/17/981259417.db2.gz MPAKCKOJJDNPDK-GPUOULLFSA-N 2 1 405.586 3.885 20 0 HHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)c1 ZINC000436231480 981260726 /nfs/dbraw/zinc/26/07/26/981260726.db2.gz FTIMSKLIKNXRNE-UHFFFAOYSA-N 2 1 405.542 3.835 20 0 HHADMP C[C@H](c1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1)[NH+]1CCOCC1 ZINC000436333897 981306700 /nfs/dbraw/zinc/30/67/00/981306700.db2.gz KIXGTHQVGFHDGY-XXBNENTESA-N 2 1 414.594 3.998 20 0 HHADMP C[C@H](c1ccc(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1)[NH+]1CCOCC1 ZINC000436333897 981306707 /nfs/dbraw/zinc/30/67/07/981306707.db2.gz KIXGTHQVGFHDGY-XXBNENTESA-N 2 1 414.594 3.998 20 0 HHADMP C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000436660383 981497012 /nfs/dbraw/zinc/49/70/12/981497012.db2.gz SONQHCNXJQKDPE-SIKLNZKXSA-N 2 1 407.558 3.640 20 0 HHADMP C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3O)CC2)CC[N@H+]1Cc1ccccc1 ZINC000436660383 981497016 /nfs/dbraw/zinc/49/70/16/981497016.db2.gz SONQHCNXJQKDPE-SIKLNZKXSA-N 2 1 407.558 3.640 20 0 HHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2csc(-c3ccc(O)c(OC)c3)n2)CC1 ZINC000436747008 981543355 /nfs/dbraw/zinc/54/33/55/981543355.db2.gz JQTZNEVSSDGNIL-UHFFFAOYSA-N 2 1 419.591 3.847 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000448203200 981615688 /nfs/dbraw/zinc/61/56/88/981615688.db2.gz HNVVVJJQBVRKHO-KWDCZQRMSA-N 2 1 412.622 3.849 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000448203200 981615690 /nfs/dbraw/zinc/61/56/90/981615690.db2.gz HNVVVJJQBVRKHO-KWDCZQRMSA-N 2 1 412.622 3.849 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000448203200 981615692 /nfs/dbraw/zinc/61/56/92/981615692.db2.gz HNVVVJJQBVRKHO-KWDCZQRMSA-N 2 1 412.622 3.849 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000448206415 981618832 /nfs/dbraw/zinc/61/88/32/981618832.db2.gz UZAMBXSHPHUXIZ-NHCICSSKSA-N 2 1 410.606 3.870 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000448208248 981621542 /nfs/dbraw/zinc/62/15/42/981621542.db2.gz GDXOBFDAQTZPIW-YMPZKCBVSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000448208248 981621544 /nfs/dbraw/zinc/62/15/44/981621544.db2.gz GDXOBFDAQTZPIW-YMPZKCBVSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000448208248 981621545 /nfs/dbraw/zinc/62/15/45/981621545.db2.gz GDXOBFDAQTZPIW-YMPZKCBVSA-N 2 1 400.611 3.564 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1ccsc1 ZINC000448216489 981631274 /nfs/dbraw/zinc/63/12/74/981631274.db2.gz CUVZEKHXZHSXJP-LJQANCHMSA-N 2 1 403.596 3.529 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)C1 ZINC000448365096 981725987 /nfs/dbraw/zinc/72/59/87/981725987.db2.gz HMVDPRRCKWLRGW-PMACEKPBSA-N 2 1 402.583 3.569 20 0 HHADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000448365096 981725994 /nfs/dbraw/zinc/72/59/94/981725994.db2.gz HMVDPRRCKWLRGW-PMACEKPBSA-N 2 1 402.583 3.569 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000448365096 981725999 /nfs/dbraw/zinc/72/59/99/981725999.db2.gz HMVDPRRCKWLRGW-PMACEKPBSA-N 2 1 402.583 3.569 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)[C@H](C)C1 ZINC000448463333 981796415 /nfs/dbraw/zinc/79/64/15/981796415.db2.gz ARKKLMMSFHHDJF-JRGCBEDISA-N 2 1 407.002 3.849 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000448467388 981804066 /nfs/dbraw/zinc/80/40/66/981804066.db2.gz QHMCCIJFVPYCJN-QFIPXVFZSA-N 2 1 400.611 3.660 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)[C@H](C)C1 ZINC000448468726 981807078 /nfs/dbraw/zinc/80/70/78/981807078.db2.gz WGZVCPJFWVKEAG-VIZSFHNOSA-N 2 1 400.611 3.790 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)[C@H](C)C1 ZINC000448468726 981807084 /nfs/dbraw/zinc/80/70/84/981807084.db2.gz WGZVCPJFWVKEAG-VIZSFHNOSA-N 2 1 400.611 3.790 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)[C@H](C)C1 ZINC000448468726 981807092 /nfs/dbraw/zinc/80/70/92/981807092.db2.gz WGZVCPJFWVKEAG-VIZSFHNOSA-N 2 1 400.611 3.790 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000448520263 981847898 /nfs/dbraw/zinc/84/78/98/981847898.db2.gz IVCFJXBDVFNMIW-PMACEKPBSA-N 2 1 423.605 3.541 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000460161208 981934157 /nfs/dbraw/zinc/93/41/57/981934157.db2.gz KXDWLJSMDXXAOV-LOSJGSFVSA-N 2 1 420.601 3.802 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000460161208 981934162 /nfs/dbraw/zinc/93/41/62/981934162.db2.gz KXDWLJSMDXXAOV-LOSJGSFVSA-N 2 1 420.601 3.802 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000460161208 981934168 /nfs/dbraw/zinc/93/41/68/981934168.db2.gz KXDWLJSMDXXAOV-LOSJGSFVSA-N 2 1 420.601 3.802 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000460164588 981937062 /nfs/dbraw/zinc/93/70/62/981937062.db2.gz DFVVDWPBRIZZFH-ZEQRLZLVSA-N 2 1 412.622 3.662 20 0 HHADMP C[NH+](C)Cc1cc(CNC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccc1F ZINC000460338289 982110249 /nfs/dbraw/zinc/11/02/49/982110249.db2.gz IXAUJBJJNBASIU-FYYLOGMGSA-N 2 1 424.564 3.551 20 0 HHADMP C[NH+](C)CC[C@H](NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C(C)(C)C ZINC000460339342 982111301 /nfs/dbraw/zinc/11/13/01/982111301.db2.gz CFXNUNXEOUXDBC-BDTNDASRSA-N 2 1 400.611 3.516 20 0 HHADMP C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000437644062 982263318 /nfs/dbraw/zinc/26/33/18/982263318.db2.gz USTGNCNNYVBZLJ-JOCHJYFZSA-N 2 1 416.610 3.613 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1F ZINC000460553199 982339187 /nfs/dbraw/zinc/33/91/87/982339187.db2.gz WYGSCUIESVVBLI-GGAORHGYSA-N 2 1 424.564 3.551 20 0 HHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000437916384 982461375 /nfs/dbraw/zinc/46/13/75/982461375.db2.gz DJTKJRBZPKOOKY-PMACEKPBSA-N 2 1 411.594 3.901 20 0 HHADMP CCOC(=O)Cn1nc(C)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1C ZINC000438103750 982590137 /nfs/dbraw/zinc/59/01/37/982590137.db2.gz ZJGGHMVDXFUMAN-RUZDIDTESA-N 2 1 424.589 3.551 20 0 HHADMP CCOC(=O)Cn1nc(C)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1C ZINC000438103750 982590142 /nfs/dbraw/zinc/59/01/42/982590142.db2.gz ZJGGHMVDXFUMAN-RUZDIDTESA-N 2 1 424.589 3.551 20 0 HHADMP CCOC(=O)Cn1nc(C)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1C ZINC000438103750 982590143 /nfs/dbraw/zinc/59/01/43/982590143.db2.gz ZJGGHMVDXFUMAN-RUZDIDTESA-N 2 1 424.589 3.551 20 0 HHADMP CCOC(=O)Cn1nc(C)c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1C ZINC000438103750 982590148 /nfs/dbraw/zinc/59/01/48/982590148.db2.gz ZJGGHMVDXFUMAN-RUZDIDTESA-N 2 1 424.589 3.551 20 0 HHADMP CC[NH+](CC)CCOc1cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1OC ZINC000438208894 982653749 /nfs/dbraw/zinc/65/37/49/982653749.db2.gz BUZDPFNCLQOXGB-IHWFROFDSA-N 2 1 418.582 3.553 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000438482356 982829306 /nfs/dbraw/zinc/82/93/06/982829306.db2.gz YBCVXSSISGOXMZ-QFQXNSOFSA-N 2 1 405.586 3.819 20 0 HHADMP C[C@H](NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000461209935 982924164 /nfs/dbraw/zinc/92/41/64/982924164.db2.gz CKFKKXNVYFYDHO-WAABAYLZSA-N 2 1 420.601 3.841 20 0 HHADMP O=C(c1cccc(C[NH+]2CCCC2)c1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461429652 983092207 /nfs/dbraw/zinc/09/22/07/983092207.db2.gz NWYYNJZKJBZLQK-JWQCQUIFSA-N 2 1 403.570 3.877 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000438841459 983108894 /nfs/dbraw/zinc/10/88/94/983108894.db2.gz PLKORUSQYKXKAN-RTWAWAEBSA-N 2 1 421.589 3.523 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000438841459 983108898 /nfs/dbraw/zinc/10/88/98/983108898.db2.gz PLKORUSQYKXKAN-RTWAWAEBSA-N 2 1 421.589 3.523 20 0 HHADMP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461448404 983114118 /nfs/dbraw/zinc/11/41/18/983114118.db2.gz YDHSRGPVZITXQN-CLJLJLNGSA-N 2 1 417.597 3.879 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461454172 983120659 /nfs/dbraw/zinc/12/06/59/983120659.db2.gz GMTWVMDEMMYLDM-ATPOPXNDSA-N 2 1 417.597 3.735 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461454172 983120662 /nfs/dbraw/zinc/12/06/62/983120662.db2.gz GMTWVMDEMMYLDM-ATPOPXNDSA-N 2 1 417.597 3.735 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461454172 983120665 /nfs/dbraw/zinc/12/06/65/983120665.db2.gz GMTWVMDEMMYLDM-ATPOPXNDSA-N 2 1 417.597 3.735 20 0 HHADMP CCC[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccc(C)nc3)C[C@H]2[C@H](C)CC)CC1 ZINC000438954528 983175433 /nfs/dbraw/zinc/17/54/33/983175433.db2.gz AINZLXACHAIINN-XXBNENTESA-N 2 1 415.626 3.506 20 0 HHADMP CCC[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccc(C)nc3)C[C@H]2[C@H](C)CC)CC1 ZINC000438954528 983175438 /nfs/dbraw/zinc/17/54/38/983175438.db2.gz AINZLXACHAIINN-XXBNENTESA-N 2 1 415.626 3.506 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000439194284 983303178 /nfs/dbraw/zinc/30/31/78/983303178.db2.gz VYIVLSIJADEUAK-REHUZNOOSA-N 2 1 421.589 3.569 20 0 HHADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000439199476 983307277 /nfs/dbraw/zinc/30/72/77/983307277.db2.gz NYZIMYYBHYGESP-DHIUTWEWSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000439199476 983307282 /nfs/dbraw/zinc/30/72/82/983307282.db2.gz NYZIMYYBHYGESP-DHIUTWEWSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000439199476 983307285 /nfs/dbraw/zinc/30/72/85/983307285.db2.gz NYZIMYYBHYGESP-DHIUTWEWSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000439420589 983402169 /nfs/dbraw/zinc/40/21/69/983402169.db2.gz HNARWPANCAKNSY-UGKGYDQZSA-N 2 1 414.619 3.732 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1CCCC[NH+]1CC(C)C ZINC000440179514 983671440 /nfs/dbraw/zinc/67/14/40/983671440.db2.gz PCOJWPMVMYZISV-PKTZIBPZSA-N 2 1 415.626 3.588 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000440179514 983671444 /nfs/dbraw/zinc/67/14/44/983671444.db2.gz PCOJWPMVMYZISV-PKTZIBPZSA-N 2 1 415.626 3.588 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000440179514 983671446 /nfs/dbraw/zinc/67/14/46/983671446.db2.gz PCOJWPMVMYZISV-PKTZIBPZSA-N 2 1 415.626 3.588 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)C[N@@H+]1C1CC1 ZINC000440998308 984017011 /nfs/dbraw/zinc/01/70/11/984017011.db2.gz AWJNHEQWETVLRD-HNAYVOBHSA-N 2 1 424.511 3.594 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)C[N@H+]1C1CC1 ZINC000440998308 984017019 /nfs/dbraw/zinc/01/70/19/984017019.db2.gz AWJNHEQWETVLRD-HNAYVOBHSA-N 2 1 424.511 3.594 20 0 HHADMP O=C(CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccccc1Br ZINC000441392011 984226784 /nfs/dbraw/zinc/22/67/84/984226784.db2.gz ASASLRDFSPLGPZ-HNAYVOBHSA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccccc1Br ZINC000441392011 984226787 /nfs/dbraw/zinc/22/67/87/984226787.db2.gz ASASLRDFSPLGPZ-HNAYVOBHSA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccccc1Br ZINC000441392011 984226788 /nfs/dbraw/zinc/22/67/88/984226788.db2.gz ASASLRDFSPLGPZ-HNAYVOBHSA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccccc1Br ZINC000441392011 984226792 /nfs/dbraw/zinc/22/67/92/984226792.db2.gz ASASLRDFSPLGPZ-HNAYVOBHSA-N 2 1 406.368 3.726 20 0 HHADMP COc1cc(NC(=O)CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(OC)cc1Cl ZINC000441400841 984232154 /nfs/dbraw/zinc/23/21/54/984232154.db2.gz FFQSLVNKSMKELP-BEFAXECRSA-N 2 1 421.969 3.635 20 0 HHADMP COc1cc(NC(=O)CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(OC)cc1Cl ZINC000441400841 984232159 /nfs/dbraw/zinc/23/21/59/984232159.db2.gz FFQSLVNKSMKELP-BEFAXECRSA-N 2 1 421.969 3.635 20 0 HHADMP COc1cc(NC(=O)CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(OC)cc1Cl ZINC000441400841 984232165 /nfs/dbraw/zinc/23/21/65/984232165.db2.gz FFQSLVNKSMKELP-BEFAXECRSA-N 2 1 421.969 3.635 20 0 HHADMP COc1cc(NC(=O)CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(OC)cc1Cl ZINC000441400841 984232171 /nfs/dbraw/zinc/23/21/71/984232171.db2.gz FFQSLVNKSMKELP-BEFAXECRSA-N 2 1 421.969 3.635 20 0 HHADMP O=C(CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Br)cc1F ZINC000441400476 984232345 /nfs/dbraw/zinc/23/23/45/984232345.db2.gz LJDZWPZAVWQOHJ-IFXJQAMLSA-N 2 1 424.358 3.866 20 0 HHADMP O=C(CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Br)cc1F ZINC000441400476 984232351 /nfs/dbraw/zinc/23/23/51/984232351.db2.gz LJDZWPZAVWQOHJ-IFXJQAMLSA-N 2 1 424.358 3.866 20 0 HHADMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(Br)cc1F ZINC000441400476 984232357 /nfs/dbraw/zinc/23/23/57/984232357.db2.gz LJDZWPZAVWQOHJ-IFXJQAMLSA-N 2 1 424.358 3.866 20 0 HHADMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(Br)cc1F ZINC000441400476 984232362 /nfs/dbraw/zinc/23/23/62/984232362.db2.gz LJDZWPZAVWQOHJ-IFXJQAMLSA-N 2 1 424.358 3.866 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000442242292 984763804 /nfs/dbraw/zinc/76/38/04/984763804.db2.gz MZEXKYDCRLWFRX-WBXPGEFWSA-N 2 1 400.611 3.563 20 0 HHADMP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000461891083 984913708 /nfs/dbraw/zinc/91/37/08/984913708.db2.gz UMJSDSXNRKBIFU-OAQYLSRUSA-N 2 1 401.620 3.519 20 0 HHADMP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000461891083 984913712 /nfs/dbraw/zinc/91/37/12/984913712.db2.gz UMJSDSXNRKBIFU-OAQYLSRUSA-N 2 1 401.620 3.519 20 0 HHADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000442864753 985250799 /nfs/dbraw/zinc/25/07/99/985250799.db2.gz AMKSELGLIGXTSV-HXUWFJFHSA-N 2 1 421.589 3.590 20 0 HHADMP COc1ccc(C[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c2ccc(OC)cc2)cc1 ZINC000442878673 985255641 /nfs/dbraw/zinc/25/56/41/985255641.db2.gz UITGMPCGRYKAQQ-DEOSSOPVSA-N 2 1 411.590 3.603 20 0 HHADMP C[N@H+]1CCN(CC[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CC1(C)C ZINC000442876901 985256029 /nfs/dbraw/zinc/25/60/29/985256029.db2.gz SHZNNJAAOCRVOA-HXUWFJFHSA-N 2 1 424.427 3.532 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1F ZINC000462307178 985293421 /nfs/dbraw/zinc/29/34/21/985293421.db2.gz DOZVUAXCBJBLRD-VGOFRKELSA-N 2 1 421.520 3.640 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1F ZINC000462307178 985293432 /nfs/dbraw/zinc/29/34/32/985293432.db2.gz DOZVUAXCBJBLRD-VGOFRKELSA-N 2 1 421.520 3.640 20 0 HHADMP CC[N@@H+](CCC1CCN(C(=O)NCC2(SC)CC[NH+](C)CC2)CC1)CC(C)C ZINC000462509901 985460899 /nfs/dbraw/zinc/46/08/99/985460899.db2.gz FXPOAFTTZZDHLL-UHFFFAOYSA-N 2 1 412.688 3.603 20 0 HHADMP CCN(C(=O)NCC1(SC)CC[NH+](C)CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000462510646 985461595 /nfs/dbraw/zinc/46/15/95/985461595.db2.gz LQKBZABQCQYTLN-PZJWPPBQSA-N 2 1 418.651 3.681 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000462524629 985474789 /nfs/dbraw/zinc/47/47/89/985474789.db2.gz WQNCHMAUVCWVSS-SQJMNOBHSA-N 2 1 420.601 3.513 20 0 HHADMP Cc1ccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000462679997 985618764 /nfs/dbraw/zinc/61/87/64/985618764.db2.gz SQIOZHVGARGNDD-SIKLNZKXSA-N 2 1 410.562 3.577 20 0 HHADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000462735473 985681012 /nfs/dbraw/zinc/68/10/12/985681012.db2.gz BHMHBBOYUPRUMK-XZOQPEGZSA-N 2 1 400.611 3.805 20 0 HHADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462735473 985681018 /nfs/dbraw/zinc/68/10/18/985681018.db2.gz BHMHBBOYUPRUMK-XZOQPEGZSA-N 2 1 400.611 3.805 20 0 HHADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462735473 985681022 /nfs/dbraw/zinc/68/10/22/985681022.db2.gz BHMHBBOYUPRUMK-XZOQPEGZSA-N 2 1 400.611 3.805 20 0 HHADMP C[NH+](C)CCN(Cc1ccco1)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462741460 985683321 /nfs/dbraw/zinc/68/33/21/985683321.db2.gz ULLCVDURJRTWAR-QFIPXVFZSA-N 2 1 412.578 3.655 20 0 HHADMP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)nc(-c2ccc(Cl)cc2)n1 ZINC000443577115 985753249 /nfs/dbraw/zinc/75/32/49/985753249.db2.gz CKMSOTPFLWXHDK-QHAWAJNXSA-N 2 1 400.954 3.789 20 0 HHADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)nc(-c2ccc(Cl)cc2)n1 ZINC000443577115 985753256 /nfs/dbraw/zinc/75/32/56/985753256.db2.gz CKMSOTPFLWXHDK-QHAWAJNXSA-N 2 1 400.954 3.789 20 0 HHADMP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C1(C)C ZINC000463015353 985970197 /nfs/dbraw/zinc/97/01/97/985970197.db2.gz WZIACWMBCMAXBR-DHIUTWEWSA-N 2 1 404.595 3.858 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000463016651 985972448 /nfs/dbraw/zinc/97/24/48/985972448.db2.gz UWVCITSAZHZCTC-GBXCKJPGSA-N 2 1 406.574 3.602 20 0 HHADMP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463076532 986033328 /nfs/dbraw/zinc/03/33/28/986033328.db2.gz BPSDMZOHTRCFHL-SIKLNZKXSA-N 2 1 415.603 3.516 20 0 HHADMP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463076532 986033342 /nfs/dbraw/zinc/03/33/42/986033342.db2.gz BPSDMZOHTRCFHL-SIKLNZKXSA-N 2 1 415.603 3.516 20 0 HHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nc4ccc(Br)cc4o3)CC2)C[C@@H](C)O1 ZINC000463079561 986036971 /nfs/dbraw/zinc/03/69/71/986036971.db2.gz FBFJLDALHJQIGR-HUUCEWRRSA-N 2 1 422.367 3.912 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]CCCN2CCN(c3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463140440 986109270 /nfs/dbraw/zinc/10/92/70/986109270.db2.gz VVPYSQMRGSFDRZ-ILBGXUMGSA-N 2 1 406.618 3.841 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]CCCN2CCN(c3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463140440 986109277 /nfs/dbraw/zinc/10/92/77/986109277.db2.gz VVPYSQMRGSFDRZ-ILBGXUMGSA-N 2 1 406.618 3.841 20 0 HHADMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000463187878 986159133 /nfs/dbraw/zinc/15/91/33/986159133.db2.gz FEMKAYLTHNBHIF-RRPNLBNLSA-N 2 1 421.629 3.963 20 0 HHADMP Cc1cc(N2CCC([NH2+]C3CCN(Cc4ccccc4Cl)CC3)CC2)nc(C)[nH+]1 ZINC000463192784 986164938 /nfs/dbraw/zinc/16/49/38/986164938.db2.gz PYPKARXSJKYBLC-UHFFFAOYSA-N 2 1 413.997 3.970 20 0 HHADMP COc1cc(OC)cc(OCC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000463194972 986167823 /nfs/dbraw/zinc/16/78/23/986167823.db2.gz XPASJTCGDIXTHH-UHFFFAOYSA-N 2 1 402.510 3.518 20 0 HHADMP C[C@@H]1[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC(=O)N1Cc1ccccc1 ZINC000463247031 986216178 /nfs/dbraw/zinc/21/61/78/986216178.db2.gz SXNVBRZSUQRYSN-NTKDMRAZSA-N 2 1 409.549 3.612 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000444335186 986513047 /nfs/dbraw/zinc/51/30/47/986513047.db2.gz FREOHLOAQNMXTD-AVRDEDQJSA-N 2 1 403.530 3.815 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000444335186 986513049 /nfs/dbraw/zinc/51/30/49/986513049.db2.gz FREOHLOAQNMXTD-AVRDEDQJSA-N 2 1 403.530 3.815 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(-c2csc(C)n2)c1 ZINC000463628882 986604975 /nfs/dbraw/zinc/60/49/75/986604975.db2.gz MFAJUVHAFAXBDJ-HXUWFJFHSA-N 2 1 400.592 3.607 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000444685325 986865021 /nfs/dbraw/zinc/86/50/21/986865021.db2.gz NVNFLSPVNRQPGX-OAQYLSRUSA-N 2 1 405.586 3.819 20 0 HHADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444696020 986871830 /nfs/dbraw/zinc/87/18/30/986871830.db2.gz NMQHMCWSFBRUET-QFIPXVFZSA-N 2 1 410.606 3.701 20 0 HHADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444696020 986871843 /nfs/dbraw/zinc/87/18/43/986871843.db2.gz NMQHMCWSFBRUET-QFIPXVFZSA-N 2 1 410.606 3.701 20 0 HHADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444696020 986871850 /nfs/dbraw/zinc/87/18/50/986871850.db2.gz NMQHMCWSFBRUET-QFIPXVFZSA-N 2 1 410.606 3.701 20 0 HHADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC000469219994 986942109 /nfs/dbraw/zinc/94/21/09/986942109.db2.gz FCINESBCVUUMQO-AJSBUHFISA-N 2 1 411.977 3.624 20 0 HHADMP C[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC000469219994 986942119 /nfs/dbraw/zinc/94/21/19/986942119.db2.gz FCINESBCVUUMQO-AJSBUHFISA-N 2 1 411.977 3.624 20 0 HHADMP C[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC000469219994 986942127 /nfs/dbraw/zinc/94/21/27/986942127.db2.gz FCINESBCVUUMQO-AJSBUHFISA-N 2 1 411.977 3.624 20 0 HHADMP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000444962380 987096458 /nfs/dbraw/zinc/09/64/58/987096458.db2.gz UNYYUVLHURVHGC-HSZRJFAPSA-N 2 1 412.622 3.633 20 0 HHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000469433517 987120227 /nfs/dbraw/zinc/12/02/27/987120227.db2.gz FRFYTPJAFJKMMJ-NHTMILBNSA-N 2 1 412.622 3.801 20 0 HHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000469433517 987120229 /nfs/dbraw/zinc/12/02/29/987120229.db2.gz FRFYTPJAFJKMMJ-NHTMILBNSA-N 2 1 412.622 3.801 20 0 HHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000469433517 987120232 /nfs/dbraw/zinc/12/02/32/987120232.db2.gz FRFYTPJAFJKMMJ-NHTMILBNSA-N 2 1 412.622 3.801 20 0 HHADMP CCOCc1ccc(CNC(=O)C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000469761140 987414047 /nfs/dbraw/zinc/41/40/47/987414047.db2.gz RBOVQGBYVYLCSK-ACWUQQCTSA-N 2 1 423.601 3.586 20 0 HHADMP CCOCc1ccc(CNC(=O)C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000469761140 987414049 /nfs/dbraw/zinc/41/40/49/987414049.db2.gz RBOVQGBYVYLCSK-ACWUQQCTSA-N 2 1 423.601 3.586 20 0 HHADMP CCN(Cc1cccc(F)c1)C(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000469770173 987422032 /nfs/dbraw/zinc/42/20/32/987422032.db2.gz TTWGMGIJKNYZEA-PMACEKPBSA-N 2 1 411.565 3.920 20 0 HHADMP C[C@H]([NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000469776782 987426446 /nfs/dbraw/zinc/42/64/46/987426446.db2.gz SMDSYGRFOIENJT-HOIFWPIMSA-N 2 1 405.533 3.698 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)NCc1ccc(Cl)s1 ZINC000469785841 987431317 /nfs/dbraw/zinc/43/13/17/987431317.db2.gz FUYZYAXSDSUDNM-JIPZTSHUSA-N 2 1 405.995 3.764 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCc1ccc(Cl)s1 ZINC000469785841 987431323 /nfs/dbraw/zinc/43/13/23/987431323.db2.gz FUYZYAXSDSUDNM-JIPZTSHUSA-N 2 1 405.995 3.764 20 0 HHADMP CCCOc1ccc(CNC(=O)C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000469786829 987431903 /nfs/dbraw/zinc/43/19/03/987431903.db2.gz LOPBORDJXJPTCC-NHCUHLMSSA-N 2 1 423.601 3.838 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)[C@@H](C)C1 ZINC000469790666 987435372 /nfs/dbraw/zinc/43/53/72/987435372.db2.gz MKNOEWVVPDQTHP-ZVDOUQERSA-N 2 1 415.578 3.679 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)[C@@H](C)C1 ZINC000469790666 987435373 /nfs/dbraw/zinc/43/53/73/987435373.db2.gz MKNOEWVVPDQTHP-ZVDOUQERSA-N 2 1 415.578 3.679 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000463964083 988076794 /nfs/dbraw/zinc/07/67/94/988076794.db2.gz LIGDJGSKVGUUJB-VXKWHMMOSA-N 2 1 410.562 3.580 20 0 HHADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@H](C)[N@@H+](Cc4ccccc4)CC3)cc2)CC1 ZINC000470518977 988517402 /nfs/dbraw/zinc/51/74/02/988517402.db2.gz BKISCGVRXYNVRL-QFIPXVFZSA-N 2 1 420.601 3.565 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C[C@H]1CC[NH+](Cc2ccccc2)C1)CC(F)(F)F ZINC000470552539 988565572 /nfs/dbraw/zinc/56/55/72/988565572.db2.gz XJWJXTXVQLFFPQ-NSHGMRRFSA-N 2 1 411.512 3.772 20 0 HHADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000470552539 988565582 /nfs/dbraw/zinc/56/55/82/988565582.db2.gz XJWJXTXVQLFFPQ-NSHGMRRFSA-N 2 1 411.512 3.772 20 0 HHADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000470552539 988565585 /nfs/dbraw/zinc/56/55/85/988565585.db2.gz XJWJXTXVQLFFPQ-NSHGMRRFSA-N 2 1 411.512 3.772 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000470747940 988788237 /nfs/dbraw/zinc/78/82/37/988788237.db2.gz UKQXWDFRKSKVLV-GGAORHGYSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000470747940 988788249 /nfs/dbraw/zinc/78/82/49/988788249.db2.gz UKQXWDFRKSKVLV-GGAORHGYSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000470747940 988788279 /nfs/dbraw/zinc/78/82/79/988788279.db2.gz UKQXWDFRKSKVLV-GGAORHGYSA-N 2 1 400.611 3.805 20 0 HHADMP Cc1cc(N2CCC[C@H]([NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)C2=O)ccc1Br ZINC000464686528 988893206 /nfs/dbraw/zinc/89/32/06/988893206.db2.gz CTOVHSFWYXLRBA-DBVUQKKJSA-N 2 1 420.395 3.669 20 0 HHADMP Cc1cc(N2CCC[C@H]([NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)C2=O)ccc1Br ZINC000464686528 988893226 /nfs/dbraw/zinc/89/32/26/988893226.db2.gz CTOVHSFWYXLRBA-DBVUQKKJSA-N 2 1 420.395 3.669 20 0 HHADMP Cc1cc(N2CCC[C@H]([N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)C2=O)ccc1Br ZINC000464686528 988893232 /nfs/dbraw/zinc/89/32/32/988893232.db2.gz CTOVHSFWYXLRBA-DBVUQKKJSA-N 2 1 420.395 3.669 20 0 HHADMP Cc1cc(N2CCC[C@H]([N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)C2=O)ccc1Br ZINC000464686528 988893242 /nfs/dbraw/zinc/89/32/42/988893242.db2.gz CTOVHSFWYXLRBA-DBVUQKKJSA-N 2 1 420.395 3.669 20 0 HHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000470891232 988963947 /nfs/dbraw/zinc/96/39/47/988963947.db2.gz YTCBKFPRVCWMNX-IRFCIJBXSA-N 2 1 404.624 3.504 20 0 HHADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000470891232 988963952 /nfs/dbraw/zinc/96/39/52/988963952.db2.gz YTCBKFPRVCWMNX-IRFCIJBXSA-N 2 1 404.624 3.504 20 0 HHADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000470891232 988963960 /nfs/dbraw/zinc/96/39/60/988963960.db2.gz YTCBKFPRVCWMNX-IRFCIJBXSA-N 2 1 404.624 3.504 20 0 HHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000470892429 988965272 /nfs/dbraw/zinc/96/52/72/988965272.db2.gz MGNWBPPEQNHUJN-QFIPXVFZSA-N 2 1 412.622 3.936 20 0 HHADMP CN(C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470898293 988971962 /nfs/dbraw/zinc/97/19/62/988971962.db2.gz CQWYLBQATCASHO-JOCHJYFZSA-N 2 1 412.553 3.693 20 0 HHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000470982062 989046578 /nfs/dbraw/zinc/04/65/78/989046578.db2.gz JNHYMYRKAMUUDV-HNNXBMFYSA-N 2 1 412.347 3.581 20 0 HHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000470982062 989046591 /nfs/dbraw/zinc/04/65/91/989046591.db2.gz JNHYMYRKAMUUDV-HNNXBMFYSA-N 2 1 412.347 3.581 20 0 HHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000470982062 989046601 /nfs/dbraw/zinc/04/66/01/989046601.db2.gz JNHYMYRKAMUUDV-HNNXBMFYSA-N 2 1 412.347 3.581 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)C1 ZINC000464824055 989061673 /nfs/dbraw/zinc/06/16/73/989061673.db2.gz SCFQOOYARLLSLM-NHCUHLMSSA-N 2 1 400.611 3.696 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000464824055 989061682 /nfs/dbraw/zinc/06/16/82/989061682.db2.gz SCFQOOYARLLSLM-NHCUHLMSSA-N 2 1 400.611 3.696 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000464824055 989061693 /nfs/dbraw/zinc/06/16/93/989061693.db2.gz SCFQOOYARLLSLM-NHCUHLMSSA-N 2 1 400.611 3.696 20 0 HHADMP C[C@@H](c1ccc(F)cc1F)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000471230018 989373759 /nfs/dbraw/zinc/37/37/59/989373759.db2.gz KCTKLILBBBDZJS-SFHVURJKSA-N 2 1 415.528 3.986 20 0 HHADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(Br)cc2F)[C@H](C)C1 ZINC000471231012 989376296 /nfs/dbraw/zinc/37/62/96/989376296.db2.gz BVFOHYRQUQZKBX-DYVFJYSZSA-N 2 1 400.336 3.579 20 0 HHADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(Br)cc2F)[C@H](C)C1 ZINC000471231012 989376305 /nfs/dbraw/zinc/37/63/05/989376305.db2.gz BVFOHYRQUQZKBX-DYVFJYSZSA-N 2 1 400.336 3.579 20 0 HHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(Br)cc2F)[C@H](C)C1 ZINC000471231012 989376325 /nfs/dbraw/zinc/37/63/25/989376325.db2.gz BVFOHYRQUQZKBX-DYVFJYSZSA-N 2 1 400.336 3.579 20 0 HHADMP C[C@@H](C(=O)Nc1ccc(OCC[NH+]2CC[C@H](C)C2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000465180523 989514399 /nfs/dbraw/zinc/51/43/99/989514399.db2.gz ADZUFLZTMHKGDU-PMACEKPBSA-N 2 1 407.558 3.793 20 0 HHADMP C[C@@H](C(=O)Nc1ccc(OCC[NH+]2CC[C@H](C)C2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000465180523 989514411 /nfs/dbraw/zinc/51/44/11/989514411.db2.gz ADZUFLZTMHKGDU-PMACEKPBSA-N 2 1 407.558 3.793 20 0 HHADMP C[C@@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1)[NH+]1CCc2ccccc2C1 ZINC000465180523 989514421 /nfs/dbraw/zinc/51/44/21/989514421.db2.gz ADZUFLZTMHKGDU-PMACEKPBSA-N 2 1 407.558 3.793 20 0 HHADMP C[C@@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1)[NH+]1CCc2ccccc2C1 ZINC000465180523 989514431 /nfs/dbraw/zinc/51/44/31/989514431.db2.gz ADZUFLZTMHKGDU-PMACEKPBSA-N 2 1 407.558 3.793 20 0 HHADMP O=C(NCc1ccccc1C[NH+]1CCCCC1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471515011 989714269 /nfs/dbraw/zinc/71/42/69/989714269.db2.gz OOJFYXXAZDIMKO-QHCPKHFHSA-N 2 1 420.601 3.994 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000471540225 989739950 /nfs/dbraw/zinc/73/99/50/989739950.db2.gz NFXCXSOIQNGGAA-UGKGYDQZSA-N 2 1 414.981 3.764 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000471540225 989739954 /nfs/dbraw/zinc/73/99/54/989739954.db2.gz NFXCXSOIQNGGAA-UGKGYDQZSA-N 2 1 414.981 3.764 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000465405781 989752879 /nfs/dbraw/zinc/75/28/79/989752879.db2.gz MGJGQJSSQIXTHC-PKTZIBPZSA-N 2 1 424.589 3.970 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000465405779 989753323 /nfs/dbraw/zinc/75/33/23/989753323.db2.gz MGJGQJSSQIXTHC-DHIUTWEWSA-N 2 1 424.589 3.970 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000465419434 989764642 /nfs/dbraw/zinc/76/46/42/989764642.db2.gz FUFMKLCQWSDIFG-DQEYMECFSA-N 2 1 422.617 3.713 20 0 HHADMP C[C@@H]1CCN(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000465419396 989765272 /nfs/dbraw/zinc/76/52/72/989765272.db2.gz AXCMTPOHJMDEAW-XXBNENTESA-N 2 1 412.553 3.734 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000465421533 989766888 /nfs/dbraw/zinc/76/68/88/989766888.db2.gz LBUURULJVWGWLE-QFIPXVFZSA-N 2 1 400.611 3.805 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1)c1ccccc1 ZINC000465428194 989772575 /nfs/dbraw/zinc/77/25/75/989772575.db2.gz URZGKKMQKYUFJZ-JOCHJYFZSA-N 2 1 409.578 3.741 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000465437833 989783575 /nfs/dbraw/zinc/78/35/75/989783575.db2.gz HNAATCGNIXEMLS-ILBGXUMGSA-N 2 1 420.601 3.987 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000465440836 989785081 /nfs/dbraw/zinc/78/50/81/989785081.db2.gz IGLYZZSORXRVMH-FQEVSTJZSA-N 2 1 400.611 3.849 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000471601325 989804563 /nfs/dbraw/zinc/80/45/63/989804563.db2.gz ILCSXOJUXBVGFF-RBBKRZOGSA-N 2 1 414.619 3.952 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000471601968 989805925 /nfs/dbraw/zinc/80/59/25/989805925.db2.gz AFZACWWKHCJZST-IPJUCJBFSA-N 2 1 418.548 3.746 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000465524061 989878172 /nfs/dbraw/zinc/87/81/72/989878172.db2.gz CYNPSSUXZVUDNX-JTHBVZDNSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)(CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000471681854 989885365 /nfs/dbraw/zinc/88/53/65/989885365.db2.gz AXGHWSULWVVAEZ-JOCHJYFZSA-N 2 1 420.601 3.645 20 0 HHADMP CC(C)(CNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000471681854 989885384 /nfs/dbraw/zinc/88/53/84/989885384.db2.gz AXGHWSULWVVAEZ-JOCHJYFZSA-N 2 1 420.601 3.645 20 0 HHADMP CC(C)(CNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000471681854 989885392 /nfs/dbraw/zinc/88/53/92/989885392.db2.gz AXGHWSULWVVAEZ-JOCHJYFZSA-N 2 1 420.601 3.645 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)[NH+]1CCCC[C@@H]1C ZINC000465530015 989889863 /nfs/dbraw/zinc/88/98/63/989889863.db2.gz XYXNTLFRXBQKCP-QZNHQXDQSA-N 2 1 400.611 3.803 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000465530015 989889873 /nfs/dbraw/zinc/88/98/73/989889873.db2.gz XYXNTLFRXBQKCP-QZNHQXDQSA-N 2 1 400.611 3.803 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000465530015 989889882 /nfs/dbraw/zinc/88/98/82/989889882.db2.gz XYXNTLFRXBQKCP-QZNHQXDQSA-N 2 1 400.611 3.803 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+](C)C1CCCCC1 ZINC000465532511 989891958 /nfs/dbraw/zinc/89/19/58/989891958.db2.gz FZGFPVWIBJINEV-JOCHJYFZSA-N 2 1 400.611 3.805 20 0 HHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000465532511 989891970 /nfs/dbraw/zinc/89/19/70/989891970.db2.gz FZGFPVWIBJINEV-JOCHJYFZSA-N 2 1 400.611 3.805 20 0 HHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000465532511 989891982 /nfs/dbraw/zinc/89/19/82/989891982.db2.gz FZGFPVWIBJINEV-JOCHJYFZSA-N 2 1 400.611 3.805 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000465535365 989897652 /nfs/dbraw/zinc/89/76/52/989897652.db2.gz BCTGEQDNZZAAKC-FUPPJEDESA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000465535365 989897683 /nfs/dbraw/zinc/89/76/83/989897683.db2.gz BCTGEQDNZZAAKC-FUPPJEDESA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000465535365 989897695 /nfs/dbraw/zinc/89/76/95/989897695.db2.gz BCTGEQDNZZAAKC-FUPPJEDESA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000465536991 989900470 /nfs/dbraw/zinc/90/04/70/989900470.db2.gz FXQBONJHFUPACK-VLVHOKLOSA-N 2 1 400.611 3.789 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000465536991 989900478 /nfs/dbraw/zinc/90/04/78/989900478.db2.gz FXQBONJHFUPACK-VLVHOKLOSA-N 2 1 400.611 3.789 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000465536991 989900487 /nfs/dbraw/zinc/90/04/87/989900487.db2.gz FXQBONJHFUPACK-VLVHOKLOSA-N 2 1 400.611 3.789 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000465549527 989913178 /nfs/dbraw/zinc/91/31/78/989913178.db2.gz SFIHDRYOXYSDPX-CQOQZXRMSA-N 2 1 414.638 3.908 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)C1 ZINC000465551987 989915091 /nfs/dbraw/zinc/91/50/91/989915091.db2.gz ABDQGQOGLHMZHG-NFBKMPQASA-N 2 1 400.611 3.934 20 0 HHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1 ZINC000465551987 989915098 /nfs/dbraw/zinc/91/50/98/989915098.db2.gz ABDQGQOGLHMZHG-NFBKMPQASA-N 2 1 400.611 3.934 20 0 HHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000465551987 989915114 /nfs/dbraw/zinc/91/51/14/989915114.db2.gz ABDQGQOGLHMZHG-NFBKMPQASA-N 2 1 400.611 3.934 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000465558834 989924389 /nfs/dbraw/zinc/92/43/89/989924389.db2.gz UNXIRMIGPGSWJA-QHCPKHFHSA-N 2 1 400.611 3.792 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000471731346 989927241 /nfs/dbraw/zinc/92/72/41/989927241.db2.gz IYTLSTVNQYQWLV-OAQYLSRUSA-N 2 1 421.520 3.641 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000471731346 989927248 /nfs/dbraw/zinc/92/72/48/989927248.db2.gz IYTLSTVNQYQWLV-OAQYLSRUSA-N 2 1 421.520 3.641 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465588036 989964436 /nfs/dbraw/zinc/96/44/36/989964436.db2.gz DEVRTLDJGSKSPW-CQOQZXRMSA-N 2 1 414.638 3.908 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000465594679 989974791 /nfs/dbraw/zinc/97/47/91/989974791.db2.gz ILVQMJHWRDPQDZ-TZIWHRDSSA-N 2 1 404.599 3.592 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465613871 989999264 /nfs/dbraw/zinc/99/92/64/989999264.db2.gz ZRZHCCYOOYCPDA-GGAORHGYSA-N 2 1 400.611 3.662 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465613871 989999276 /nfs/dbraw/zinc/99/92/76/989999276.db2.gz ZRZHCCYOOYCPDA-GGAORHGYSA-N 2 1 400.611 3.662 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465613871 989999282 /nfs/dbraw/zinc/99/92/82/989999282.db2.gz ZRZHCCYOOYCPDA-GGAORHGYSA-N 2 1 400.611 3.662 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000465633632 990019481 /nfs/dbraw/zinc/01/94/81/990019481.db2.gz VRJZUMYAARASJV-XMMPIXPASA-N 2 1 408.590 3.802 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[NH+]1CCCCC1 ZINC000465696928 990083501 /nfs/dbraw/zinc/08/35/01/990083501.db2.gz SXZSZJRGKSKJMP-UNMCSNQZSA-N 2 1 416.610 3.738 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000465713090 990098273 /nfs/dbraw/zinc/09/82/73/990098273.db2.gz BBRVDDVTAMUCNE-KFKAGJAMSA-N 2 1 414.516 3.870 20 0 HHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000465745158 990130357 /nfs/dbraw/zinc/13/03/57/990130357.db2.gz QMGAOISIARCUKH-RVDAZCDBSA-N 2 1 406.640 3.797 20 0 HHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000465745158 990130362 /nfs/dbraw/zinc/13/03/62/990130362.db2.gz QMGAOISIARCUKH-RVDAZCDBSA-N 2 1 406.640 3.797 20 0 HHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000465745158 990130367 /nfs/dbraw/zinc/13/03/67/990130367.db2.gz QMGAOISIARCUKH-RVDAZCDBSA-N 2 1 406.640 3.797 20 0 HHADMP C[C@H](CNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[NH+]1CCC(C)CC1 ZINC000465822428 990206291 /nfs/dbraw/zinc/20/62/91/990206291.db2.gz WENKJOZXRMRVNX-HXUWFJFHSA-N 2 1 412.578 3.831 20 0 HHADMP C[C@H](CNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[NH+]1CCC(C)CC1 ZINC000465822428 990206300 /nfs/dbraw/zinc/20/63/00/990206300.db2.gz WENKJOZXRMRVNX-HXUWFJFHSA-N 2 1 412.578 3.831 20 0 HHADMP C[C@H](CNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+](C)Cc1ccccc1 ZINC000465883456 991005473 /nfs/dbraw/zinc/00/54/73/991005473.db2.gz ZUNVIWXRDUZWCS-FCHUYYIVSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@H](CNC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000465883456 991005477 /nfs/dbraw/zinc/00/54/77/991005477.db2.gz ZUNVIWXRDUZWCS-FCHUYYIVSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@H](CNC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000465883456 991005486 /nfs/dbraw/zinc/00/54/86/991005486.db2.gz ZUNVIWXRDUZWCS-FCHUYYIVSA-N 2 1 408.590 3.813 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000465947967 991088438 /nfs/dbraw/zinc/08/84/38/991088438.db2.gz AOYYWAQPVLVNFX-OAQYLSRUSA-N 2 1 410.562 3.728 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000465947967 991088451 /nfs/dbraw/zinc/08/84/51/991088451.db2.gz AOYYWAQPVLVNFX-OAQYLSRUSA-N 2 1 410.562 3.728 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000465947967 991088464 /nfs/dbraw/zinc/08/84/64/991088464.db2.gz AOYYWAQPVLVNFX-OAQYLSRUSA-N 2 1 410.562 3.728 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000465947967 991088475 /nfs/dbraw/zinc/08/84/75/991088475.db2.gz AOYYWAQPVLVNFX-OAQYLSRUSA-N 2 1 410.562 3.728 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)nc1 ZINC000465951483 991091375 /nfs/dbraw/zinc/09/13/75/991091375.db2.gz FYPFLFBGXRTKSX-UHFFFAOYSA-N 2 1 421.589 3.665 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N(C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)[nH+]c1 ZINC000465953714 991092763 /nfs/dbraw/zinc/09/27/63/991092763.db2.gz JZOJURNFBDAWNS-JOCHJYFZSA-N 2 1 421.589 3.522 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N(C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)[nH+]c1 ZINC000465953714 991092771 /nfs/dbraw/zinc/09/27/71/991092771.db2.gz JZOJURNFBDAWNS-JOCHJYFZSA-N 2 1 421.589 3.522 20 0 HHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N(CC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465962408 991107108 /nfs/dbraw/zinc/10/71/08/991107108.db2.gz YSKZGUOFZIYWTN-GOTSBHOMSA-N 2 1 400.611 3.805 20 0 HHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000465962408 991107110 /nfs/dbraw/zinc/10/71/10/991107110.db2.gz YSKZGUOFZIYWTN-GOTSBHOMSA-N 2 1 400.611 3.805 20 0 HHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000465962408 991107119 /nfs/dbraw/zinc/10/71/19/991107119.db2.gz YSKZGUOFZIYWTN-GOTSBHOMSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC[N@@H+]1C ZINC000466049555 991219638 /nfs/dbraw/zinc/21/96/38/991219638.db2.gz LDTXQDQXQSTVFO-NFBKMPQASA-N 2 1 406.574 3.586 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC[N@H+]1C ZINC000466049555 991219649 /nfs/dbraw/zinc/21/96/49/991219649.db2.gz LDTXQDQXQSTVFO-NFBKMPQASA-N 2 1 406.574 3.586 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000466079414 991254565 /nfs/dbraw/zinc/25/45/65/991254565.db2.gz OWXHAXHIBKJWBA-CTNGQTDRSA-N 2 1 406.640 3.894 20 0 HHADMP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000466137025 991317478 /nfs/dbraw/zinc/31/74/78/991317478.db2.gz GRRDXLRFEMUXGP-RDPSFJRHSA-N 2 1 406.574 3.613 20 0 HHADMP C[C@H]1C[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C[N@H+]1Cc1ccccc1 ZINC000466228577 991450589 /nfs/dbraw/zinc/45/05/89/991450589.db2.gz WFAJGKJZHKDHBG-RDPSFJRHSA-N 2 1 406.574 3.745 20 0 HHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466292544 991542698 /nfs/dbraw/zinc/54/26/98/991542698.db2.gz BPUSNZJOGGEAGK-FQEVSTJZSA-N 2 1 402.583 3.793 20 0 HHADMP Cc1ccc(NCc2nc3c(s2)C[N@@H+](C(C)C)CC3)cc1NC(=O)CC[NH+](C)C ZINC000466445074 991734074 /nfs/dbraw/zinc/73/40/74/991734074.db2.gz CRZJIBZIEGUEDH-UHFFFAOYSA-N 2 1 415.607 3.720 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C[N@H+]1Cc1ccccc1 ZINC000466532437 991832826 /nfs/dbraw/zinc/83/28/26/991832826.db2.gz ITWDBXIRVCAVIE-ZODMCCGTSA-N 2 1 420.601 3.813 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[NH+]1Cc1ccccc1 ZINC000466532437 991832839 /nfs/dbraw/zinc/83/28/39/991832839.db2.gz ITWDBXIRVCAVIE-ZODMCCGTSA-N 2 1 420.601 3.813 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[NH+]1Cc1ccccc1 ZINC000466532437 991832850 /nfs/dbraw/zinc/83/28/50/991832850.db2.gz ITWDBXIRVCAVIE-ZODMCCGTSA-N 2 1 420.601 3.813 20 0 HHADMP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000466541533 991847547 /nfs/dbraw/zinc/84/75/47/991847547.db2.gz RQQANMVALIPJKB-IFMALSPDSA-N 2 1 421.589 3.613 20 0 HHADMP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466929800 992242471 /nfs/dbraw/zinc/24/24/71/992242471.db2.gz DLKWNFFKSZVHCT-LJQANCHMSA-N 2 1 401.595 3.715 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000467086516 992392122 /nfs/dbraw/zinc/39/21/22/992392122.db2.gz UVAUSKFLYBGBSB-BWKNWUBXSA-N 2 1 422.617 3.985 20 0 HHADMP COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH+]3CCC(c4[nH]cc[nH+]4)CC3)ccc2c1 ZINC000467134539 992451469 /nfs/dbraw/zinc/45/14/69/992451469.db2.gz XXIADVXWIKIVCK-KRWDZBQOSA-N 2 1 406.530 3.798 20 0 HHADMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)CC1 ZINC000467161465 992481112 /nfs/dbraw/zinc/48/11/12/992481112.db2.gz WKXYFAANCMGDEF-LJQANCHMSA-N 2 1 415.578 3.775 20 0 HHADMP C[C@@H](c1ccc(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000467495164 992780669 /nfs/dbraw/zinc/78/06/69/992780669.db2.gz UPOLNXIROHPYLV-JXALWOEJSA-N 2 1 422.573 3.864 20 0 HHADMP C[C@@H](c1ccc(NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000467495164 992780678 /nfs/dbraw/zinc/78/06/78/992780678.db2.gz UPOLNXIROHPYLV-JXALWOEJSA-N 2 1 422.573 3.864 20 0 HHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000472271224 993293010 /nfs/dbraw/zinc/29/30/10/993293010.db2.gz AVUZLFCQUGOIQL-CQSZACIVSA-N 2 1 413.349 3.976 20 0 HHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000472271224 993293017 /nfs/dbraw/zinc/29/30/17/993293017.db2.gz AVUZLFCQUGOIQL-CQSZACIVSA-N 2 1 413.349 3.976 20 0 HHADMP CN(C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000472291955 993307332 /nfs/dbraw/zinc/30/73/32/993307332.db2.gz ALZQSSXIVSPJRX-DQEYMECFSA-N 2 1 420.601 3.815 20 0 HHADMP CN(C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000472291955 993307338 /nfs/dbraw/zinc/30/73/38/993307338.db2.gz ALZQSSXIVSPJRX-DQEYMECFSA-N 2 1 420.601 3.815 20 0 HHADMP CN(C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000472291955 993307343 /nfs/dbraw/zinc/30/73/43/993307343.db2.gz ALZQSSXIVSPJRX-DQEYMECFSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@H]1CCN(C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000472293787 993308740 /nfs/dbraw/zinc/30/87/40/993308740.db2.gz CAVPKTCPKAVZNP-WIOPSUGQSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@H]1CCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000472293787 993308750 /nfs/dbraw/zinc/30/87/50/993308750.db2.gz CAVPKTCPKAVZNP-WIOPSUGQSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000472293787 993308755 /nfs/dbraw/zinc/30/87/55/993308755.db2.gz CAVPKTCPKAVZNP-WIOPSUGQSA-N 2 1 420.601 3.815 20 0 HHADMP C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)[C@H]1c1ccccc1 ZINC000472306118 993318340 /nfs/dbraw/zinc/31/83/40/993318340.db2.gz PJDRTUGOZDQTCH-DHIUTWEWSA-N 2 1 424.614 3.845 20 0 HHADMP C[NH+](C)CCN(CC1CCCCC1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472312494 993324025 /nfs/dbraw/zinc/32/40/25/993324025.db2.gz CLRMMNDNYVNLQC-HSZRJFAPSA-N 2 1 400.611 3.662 20 0 HHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCCC[C@H]2c2cccn2C)CC1 ZINC000472335196 993343634 /nfs/dbraw/zinc/34/36/34/993343634.db2.gz KDRBBCLYBUUCAX-DEOSSOPVSA-N 2 1 408.590 3.595 20 0 HHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCCC[C@H]2c2cccn2C)CC1 ZINC000472335196 993343645 /nfs/dbraw/zinc/34/36/45/993343645.db2.gz KDRBBCLYBUUCAX-DEOSSOPVSA-N 2 1 408.590 3.595 20 0 HHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCCC[C@H]2c2cccn2C)CC1 ZINC000472335196 993343649 /nfs/dbraw/zinc/34/36/49/993343649.db2.gz KDRBBCLYBUUCAX-DEOSSOPVSA-N 2 1 408.590 3.595 20 0 HHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCCC[C@H]2c2cccn2C)CC1 ZINC000472335196 993343658 /nfs/dbraw/zinc/34/36/58/993343658.db2.gz KDRBBCLYBUUCAX-DEOSSOPVSA-N 2 1 408.590 3.595 20 0 HHADMP CCN(C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472387004 993382607 /nfs/dbraw/zinc/38/26/07/993382607.db2.gz XKWFYEAFDDNVSO-LOSJGSFVSA-N 2 1 420.601 3.815 20 0 HHADMP CCN(C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472387004 993382613 /nfs/dbraw/zinc/38/26/13/993382613.db2.gz XKWFYEAFDDNVSO-LOSJGSFVSA-N 2 1 420.601 3.815 20 0 HHADMP CCN(C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472387004 993382618 /nfs/dbraw/zinc/38/26/18/993382618.db2.gz XKWFYEAFDDNVSO-LOSJGSFVSA-N 2 1 420.601 3.815 20 0 HHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)CC1 ZINC000480714896 993584313 /nfs/dbraw/zinc/58/43/13/993584313.db2.gz NSSCIPQNQBDOHU-QFIPXVFZSA-N 2 1 422.617 3.512 20 0 HHADMP Cc1ccc(C[C@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C2CC2)cc1 ZINC000480887774 993748895 /nfs/dbraw/zinc/74/88/95/993748895.db2.gz VBWDNCVODFRYNS-VWLOTQADSA-N 2 1 421.585 3.767 20 0 HHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCc4cc(Br)ccc43)cc2)CC1 ZINC000480895940 993754386 /nfs/dbraw/zinc/75/43/86/993754386.db2.gz HYVFZGGDXZRELF-JOCHJYFZSA-N 2 1 414.391 3.974 20 0 HHADMP Cc1c([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cnn1-c1ccc(F)cc1 ZINC000480906302 993762210 /nfs/dbraw/zinc/76/22/10/993762210.db2.gz IAEYEYHECBCSCN-LJQANCHMSA-N 2 1 421.564 3.918 20 0 HHADMP CCS[C@@H]1CCCC[N@@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000480954588 993795139 /nfs/dbraw/zinc/79/51/39/993795139.db2.gz HGNITLOJGFTNMH-JOCHJYFZSA-N 2 1 403.636 3.683 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000481172396 994003314 /nfs/dbraw/zinc/00/33/14/994003314.db2.gz IPXODFJGHCNTHX-VGSWGCGISA-N 2 1 417.956 3.938 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000481172396 994003325 /nfs/dbraw/zinc/00/33/25/994003325.db2.gz IPXODFJGHCNTHX-VGSWGCGISA-N 2 1 417.956 3.938 20 0 HHADMP CC(C)Oc1cccc(CNC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481176582 994006806 /nfs/dbraw/zinc/00/68/06/994006806.db2.gz MAELQEXSOPGVGC-GBXCKJPGSA-N 2 1 409.574 3.590 20 0 HHADMP CC(C)Oc1cccc(CNC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481176582 994006813 /nfs/dbraw/zinc/00/68/13/994006813.db2.gz MAELQEXSOPGVGC-GBXCKJPGSA-N 2 1 409.574 3.590 20 0 HHADMP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000481180548 994010615 /nfs/dbraw/zinc/01/06/15/994010615.db2.gz UMCICAYQBLLSAX-MRXNPFEDSA-N 2 1 421.379 3.806 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000481184284 994015434 /nfs/dbraw/zinc/01/54/34/994015434.db2.gz BDOMPGZMFVUHNG-QFUCXCTJSA-N 2 1 422.491 3.945 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000481189286 994021168 /nfs/dbraw/zinc/02/11/68/994021168.db2.gz MAXVRWZFSWIUGJ-OXQOHEQNSA-N 2 1 403.473 3.727 20 0 HHADMP CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000473146056 994022354 /nfs/dbraw/zinc/02/23/54/994022354.db2.gz SBKAPLVTBQEMAF-UHFFFAOYSA-N 2 1 406.530 3.615 20 0 HHADMP Cc1ccc(NC(=O)NC(=O)[C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)c1 ZINC000481190828 994023493 /nfs/dbraw/zinc/02/34/93/994023493.db2.gz PEZBVRNTGICDIR-QTEQDKRBSA-N 2 1 422.573 3.840 20 0 HHADMP CCCOc1cccc(CNC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481191255 994024250 /nfs/dbraw/zinc/02/42/50/994024250.db2.gz QHDOZHSLZYOGKA-HYBUGGRVSA-N 2 1 409.574 3.592 20 0 HHADMP CCCOc1cccc(CNC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481191255 994024259 /nfs/dbraw/zinc/02/42/59/994024259.db2.gz QHDOZHSLZYOGKA-HYBUGGRVSA-N 2 1 409.574 3.592 20 0 HHADMP CC(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481191592 994024344 /nfs/dbraw/zinc/02/43/44/994024344.db2.gz QTAQNAGZEMMDQI-XXBNENTESA-N 2 1 400.588 3.869 20 0 HHADMP CC(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481191592 994024349 /nfs/dbraw/zinc/02/43/49/994024349.db2.gz QTAQNAGZEMMDQI-XXBNENTESA-N 2 1 400.588 3.869 20 0 HHADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000473298462 994154174 /nfs/dbraw/zinc/15/41/74/994154174.db2.gz CDQWMCMVNQZJTJ-XZOQPEGZSA-N 2 1 409.549 3.676 20 0 HHADMP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000473298462 994154180 /nfs/dbraw/zinc/15/41/80/994154180.db2.gz CDQWMCMVNQZJTJ-XZOQPEGZSA-N 2 1 409.549 3.676 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000473298462 994154187 /nfs/dbraw/zinc/15/41/87/994154187.db2.gz CDQWMCMVNQZJTJ-XZOQPEGZSA-N 2 1 409.549 3.676 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000481535554 994366167 /nfs/dbraw/zinc/36/61/67/994366167.db2.gz QGIYVQBRNGCEGK-LEWJYISDSA-N 3 1 411.590 3.699 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000481535554 994366176 /nfs/dbraw/zinc/36/61/76/994366176.db2.gz QGIYVQBRNGCEGK-LEWJYISDSA-N 3 1 411.590 3.699 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000481585809 994430057 /nfs/dbraw/zinc/43/00/57/994430057.db2.gz WOQXEJUILFFGFG-MSOLQXFVSA-N 2 1 407.558 3.988 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000481585809 994430064 /nfs/dbraw/zinc/43/00/64/994430064.db2.gz WOQXEJUILFFGFG-MSOLQXFVSA-N 2 1 407.558 3.988 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@H]3CCC[N@H+]3Cc3ccccc3)c2)CC1 ZINC000473835302 994768838 /nfs/dbraw/zinc/76/88/38/994768838.db2.gz JZEOZHJNRCTYRM-XMMPIXPASA-N 2 1 421.589 3.615 20 0 HHADMP CC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481917059 994788742 /nfs/dbraw/zinc/78/87/42/994788742.db2.gz OSCNMNRZVXQDGM-APWZRJJASA-N 2 1 416.031 3.943 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1(Cc2ccccc2F)CC1 ZINC000473924758 994894865 /nfs/dbraw/zinc/89/48/65/994894865.db2.gz VZIJEJXXOOFNSM-UHFFFAOYSA-N 2 1 415.597 3.803 20 0 HHADMP COc1ccc(-c2ccncc2)cc1C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000482010981 994917366 /nfs/dbraw/zinc/91/73/66/994917366.db2.gz SAYFHMYKMACALG-SFTDATJTSA-N 2 1 408.590 3.748 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000473962923 994944689 /nfs/dbraw/zinc/94/46/89/994944689.db2.gz HEORZWNXYJKURW-KCZVDYSFSA-N 2 1 400.611 3.563 20 0 HHADMP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000482293373 995272846 /nfs/dbraw/zinc/27/28/46/995272846.db2.gz RYMRGKNNCWDGQS-JWQCQUIFSA-N 2 1 420.601 3.944 20 0 HHADMP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474305454 995293443 /nfs/dbraw/zinc/29/34/43/995293443.db2.gz BTUMICPGCYCQPG-JOCHJYFZSA-N 2 1 415.578 3.880 20 0 HHADMP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474305454 995293450 /nfs/dbraw/zinc/29/34/50/995293450.db2.gz BTUMICPGCYCQPG-JOCHJYFZSA-N 2 1 415.578 3.880 20 0 HHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)C2)CC1 ZINC000474307916 995295442 /nfs/dbraw/zinc/29/54/42/995295442.db2.gz SVDAMXJTOMPDJG-GMAHTHKFSA-N 2 1 401.570 3.761 20 0 HHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)C2)CC1 ZINC000474307916 995295454 /nfs/dbraw/zinc/29/54/54/995295454.db2.gz SVDAMXJTOMPDJG-GMAHTHKFSA-N 2 1 401.570 3.761 20 0 HHADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000482318734 995296814 /nfs/dbraw/zinc/29/68/14/995296814.db2.gz KTNONESSIZQTIY-LJQANCHMSA-N 2 1 410.400 3.526 20 0 HHADMP CN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474331758 995313502 /nfs/dbraw/zinc/31/35/02/995313502.db2.gz REIHRDRIJQAPGK-XMMPIXPASA-N 2 1 406.574 3.567 20 0 HHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1OC ZINC000474465937 995428255 /nfs/dbraw/zinc/42/82/55/995428255.db2.gz BAKSSMOTSMQNNH-UXHICEINSA-N 2 1 411.590 3.733 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CCC(C(F)(F)F)CC1 ZINC000474482963 995440892 /nfs/dbraw/zinc/44/08/92/995440892.db2.gz QQBDTIQLJCSPRV-PPDQVPDSSA-N 2 1 411.512 3.921 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@H](C)c1nc2ccccc2s1 ZINC000474482875 995441210 /nfs/dbraw/zinc/44/12/10/995441210.db2.gz PRDRMFHCMKPNCU-ZWKOTPCHSA-N 2 1 422.598 3.966 20 0 HHADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000482540428 995548283 /nfs/dbraw/zinc/54/82/83/995548283.db2.gz DGZDKLOEBHLDES-GOEBONIOSA-N 2 1 403.514 3.579 20 0 HHADMP Cc1c([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)nnn1-c1ccc(F)cc1 ZINC000482555498 995562758 /nfs/dbraw/zinc/56/27/58/995562758.db2.gz MBEMLVCLUFLKOA-QGZVFWFLSA-N 2 1 423.536 3.522 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000482562125 995568412 /nfs/dbraw/zinc/56/84/12/995568412.db2.gz PLYBLFRSQAIPML-YZGWKJHDSA-N 2 1 411.512 3.909 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2ccnn2-c2ccc(F)cc2)C[C@H](C)O1 ZINC000474619171 995570380 /nfs/dbraw/zinc/57/03/80/995570380.db2.gz XTWGMQRWWNZFFE-KDURUIRLSA-N 2 1 408.521 3.910 20 0 HHADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000482587145 995589789 /nfs/dbraw/zinc/58/97/89/995589789.db2.gz XLCYJDGIHWOMAF-ZDXQCDESSA-N 2 1 410.606 3.699 20 0 HHADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482587145 995589797 /nfs/dbraw/zinc/58/97/97/995589797.db2.gz XLCYJDGIHWOMAF-ZDXQCDESSA-N 2 1 410.606 3.699 20 0 HHADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482587145 995589807 /nfs/dbraw/zinc/58/98/07/995589807.db2.gz XLCYJDGIHWOMAF-ZDXQCDESSA-N 2 1 410.606 3.699 20 0 HHADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000482633340 995627535 /nfs/dbraw/zinc/62/75/35/995627535.db2.gz QHTHYRFSUVYDTR-UPVQGACJSA-N 2 1 411.565 3.880 20 0 HHADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000482643708 995638500 /nfs/dbraw/zinc/63/85/00/995638500.db2.gz QGWQQJPTZHOXKV-VWQFJMCTSA-N 2 1 409.549 3.936 20 0 HHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000474719953 995657577 /nfs/dbraw/zinc/65/75/77/995657577.db2.gz OFNULHVLXKSKBZ-DNVFCKCGSA-N 2 1 409.574 3.674 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(OC(F)F)cc1 ZINC000482815307 995768659 /nfs/dbraw/zinc/76/86/59/995768659.db2.gz NDFIUNBJVZVHMZ-OXQOHEQNSA-N 2 1 417.500 3.836 20 0 HHADMP Cc1cccc(C[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C2CC2)c1 ZINC000482816974 995768883 /nfs/dbraw/zinc/76/88/83/995768883.db2.gz CTBBJDUDUHKNNC-JWQCQUIFSA-N 2 1 405.586 3.803 20 0 HHADMP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)CCC3)cc1 ZINC000482874773 995808684 /nfs/dbraw/zinc/80/86/84/995808684.db2.gz PJRCZSYNAWQUBO-QUCCMNQESA-N 2 1 415.603 3.879 20 0 HHADMP CCN(C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475035865 995884954 /nfs/dbraw/zinc/88/49/54/995884954.db2.gz ZSQFUSZGGQAQEE-FGZHOGPDSA-N 2 1 410.562 3.723 20 0 HHADMP C[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1)C1CCC(C(F)(F)F)CC1 ZINC000475083314 995910841 /nfs/dbraw/zinc/91/08/41/995910841.db2.gz BGVQZJYJTYYLMM-VMAZRHSESA-N 2 1 417.495 3.806 20 0 HHADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)Cc2cccc(-c3ccncc3)c2)cc[nH+]1 ZINC000475088512 995914513 /nfs/dbraw/zinc/91/45/13/995914513.db2.gz KQURCPXVDPRQNW-VXKWHMMOSA-N 2 1 420.536 3.653 20 0 HHADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)Cc2cccc(-c3ccncc3)c2)cc[nH+]1 ZINC000475088512 995914519 /nfs/dbraw/zinc/91/45/19/995914519.db2.gz KQURCPXVDPRQNW-VXKWHMMOSA-N 2 1 420.536 3.653 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1)c1ccccc1 ZINC000475150868 995955723 /nfs/dbraw/zinc/95/57/23/995955723.db2.gz LFGAKTARLKOILJ-ILBGXUMGSA-N 2 1 405.517 3.924 20 0 HHADMP O=C1c2ccccc2C(=O)N1C1CCC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000475274704 996039326 /nfs/dbraw/zinc/03/93/26/996039326.db2.gz JZEOMWQOIWVWLN-HWELCPFYSA-N 2 1 417.553 3.706 20 0 HHADMP O=C1c2ccccc2C(=O)N1C1CCC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000475274707 996039401 /nfs/dbraw/zinc/03/94/01/996039401.db2.gz JZEOMWQOIWVWLN-ITAUSPCMSA-N 2 1 417.553 3.706 20 0 HHADMP CC(C)[NH+]1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000475297069 996052753 /nfs/dbraw/zinc/05/27/53/996052753.db2.gz KNSOFWCRNWBWEQ-VWLOTQADSA-N 2 1 420.601 3.564 20 0 HHADMP Cc1nc(COc2ccc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cc2)no1 ZINC000475346336 996081261 /nfs/dbraw/zinc/08/12/61/996081261.db2.gz NJXPVOGIPADGJV-SZPZYZBQSA-N 2 1 404.514 3.521 20 0 HHADMP Cc1nc(COc2ccc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cc2)no1 ZINC000475346336 996081266 /nfs/dbraw/zinc/08/12/66/996081266.db2.gz NJXPVOGIPADGJV-SZPZYZBQSA-N 2 1 404.514 3.521 20 0 HHADMP Cc1nc(COc2ccc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)cc2)no1 ZINC000475346336 996081271 /nfs/dbraw/zinc/08/12/71/996081271.db2.gz NJXPVOGIPADGJV-SZPZYZBQSA-N 2 1 404.514 3.521 20 0 HHADMP Cc1nc(COc2ccc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)cc2)no1 ZINC000475346336 996081277 /nfs/dbraw/zinc/08/12/77/996081277.db2.gz NJXPVOGIPADGJV-SZPZYZBQSA-N 2 1 404.514 3.521 20 0 HHADMP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)CC[C@@H]21 ZINC000483503270 996222026 /nfs/dbraw/zinc/22/20/26/996222026.db2.gz LUWSWFYFADTUNN-PXNSSMCTSA-N 2 1 409.496 3.613 20 0 HHADMP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)CC[C@@H]21 ZINC000483503270 996222033 /nfs/dbraw/zinc/22/20/33/996222033.db2.gz LUWSWFYFADTUNN-PXNSSMCTSA-N 2 1 409.496 3.613 20 0 HHADMP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)CC[C@@H]21 ZINC000483503270 996222038 /nfs/dbraw/zinc/22/20/38/996222038.db2.gz LUWSWFYFADTUNN-PXNSSMCTSA-N 2 1 409.496 3.613 20 0 HHADMP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)CC[C@@H]21 ZINC000483503270 996222041 /nfs/dbraw/zinc/22/20/41/996222041.db2.gz LUWSWFYFADTUNN-PXNSSMCTSA-N 2 1 409.496 3.613 20 0 HHADMP O[C@H](COc1cccc2[nH]ccc21)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483508801 996224205 /nfs/dbraw/zinc/22/42/05/996224205.db2.gz BLBSIAVLDMBGLW-SLSDLSHTSA-N 2 1 419.569 3.894 20 0 HHADMP O[C@H](COc1cccc2[nH]ccc21)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483508801 996224213 /nfs/dbraw/zinc/22/42/13/996224213.db2.gz BLBSIAVLDMBGLW-SLSDLSHTSA-N 2 1 419.569 3.894 20 0 HHADMP O[C@H](COc1cccc2[nH]ccc21)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483508801 996224221 /nfs/dbraw/zinc/22/42/21/996224221.db2.gz BLBSIAVLDMBGLW-SLSDLSHTSA-N 2 1 419.569 3.894 20 0 HHADMP O[C@H](COc1cccc2[nH]ccc21)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483508801 996224226 /nfs/dbraw/zinc/22/42/26/996224226.db2.gz BLBSIAVLDMBGLW-SLSDLSHTSA-N 2 1 419.569 3.894 20 0 HHADMP O=C(c1ccc(-n2ccnc2)cc1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483555541 996247855 /nfs/dbraw/zinc/24/78/55/996247855.db2.gz SRDMIFRWLRKPEW-UPVQGACJSA-N 2 1 400.526 3.999 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000483614284 996286580 /nfs/dbraw/zinc/28/65/80/996286580.db2.gz IUFWGMQTRGSCCK-FYYLOGMGSA-N 2 1 400.611 3.805 20 0 HHADMP COc1ccc(COC[C@@H](O)C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000475727864 996327267 /nfs/dbraw/zinc/32/72/67/996327267.db2.gz IIPOAZWBCIIKJS-AZGAKELHSA-N 2 1 424.585 3.561 20 0 HHADMP COc1ccc(COC[C@@H](O)C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000475727864 996327273 /nfs/dbraw/zinc/32/72/73/996327273.db2.gz IIPOAZWBCIIKJS-AZGAKELHSA-N 2 1 424.585 3.561 20 0 HHADMP COc1ccc(COC[C@@H](O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000475727864 996327280 /nfs/dbraw/zinc/32/72/80/996327280.db2.gz IIPOAZWBCIIKJS-AZGAKELHSA-N 2 1 424.585 3.561 20 0 HHADMP O=C(CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)Nc1ccc2c(c1)OCO2 ZINC000475736442 996334959 /nfs/dbraw/zinc/33/49/59/996334959.db2.gz HXRILRJWTNZTCP-VWLOTQADSA-N 2 1 421.541 3.732 20 0 HHADMP O=C(CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)Nc1ccc2c(c1)OCO2 ZINC000475736442 996334964 /nfs/dbraw/zinc/33/49/64/996334964.db2.gz HXRILRJWTNZTCP-VWLOTQADSA-N 2 1 421.541 3.732 20 0 HHADMP O=C(CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)Nc1ccc2c(c1)OCO2 ZINC000475736442 996334968 /nfs/dbraw/zinc/33/49/68/996334968.db2.gz HXRILRJWTNZTCP-VWLOTQADSA-N 2 1 421.541 3.732 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)C[C@H]1C ZINC000483714476 996345434 /nfs/dbraw/zinc/34/54/34/996345434.db2.gz WKBBDTNNNNMMIU-URVUXULASA-N 2 1 416.610 3.736 20 0 HHADMP C[C@H](CC[NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccccc1 ZINC000483715692 996345702 /nfs/dbraw/zinc/34/57/02/996345702.db2.gz XEHOIYSNSPEOQN-WOJBJXKFSA-N 2 1 415.603 3.788 20 0 HHADMP C[C@@H](CC[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccccc1 ZINC000483715687 996345913 /nfs/dbraw/zinc/34/59/13/996345913.db2.gz XEHOIYSNSPEOQN-PMACEKPBSA-N 2 1 415.603 3.788 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C[C@@H]1C ZINC000483715165 996345964 /nfs/dbraw/zinc/34/59/64/996345964.db2.gz WLQJYZRQCPPZBI-YYWHXJBOSA-N 2 1 407.002 3.991 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)C[C@@H]1C ZINC000483715967 996346323 /nfs/dbraw/zinc/34/63/23/996346323.db2.gz XXQKKXICNDYPBF-QTEQDKRBSA-N 2 1 400.611 3.933 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C[C@@H]1C ZINC000483715967 996346328 /nfs/dbraw/zinc/34/63/28/996346328.db2.gz XXQKKXICNDYPBF-QTEQDKRBSA-N 2 1 400.611 3.933 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C[C@@H]1C ZINC000483715967 996346330 /nfs/dbraw/zinc/34/63/30/996346330.db2.gz XXQKKXICNDYPBF-QTEQDKRBSA-N 2 1 400.611 3.933 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000483746030 996362890 /nfs/dbraw/zinc/36/28/90/996362890.db2.gz SIOFRUSWNZQYRZ-WWMYMODYSA-N 2 1 404.551 3.790 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000483746030 996362893 /nfs/dbraw/zinc/36/28/93/996362893.db2.gz SIOFRUSWNZQYRZ-WWMYMODYSA-N 2 1 404.551 3.790 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(-c2ccccc2)ns1 ZINC000475801055 996379401 /nfs/dbraw/zinc/37/94/01/996379401.db2.gz ZASOCUORFGDIAV-SFHVURJKSA-N 2 1 401.580 3.690 20 0 HHADMP CCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000483878687 996444168 /nfs/dbraw/zinc/44/41/68/996444168.db2.gz WZVWCUVORPCBAL-SFTDATJTSA-N 2 1 408.537 3.662 20 0 HHADMP CCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000483878687 996444171 /nfs/dbraw/zinc/44/41/71/996444171.db2.gz WZVWCUVORPCBAL-SFTDATJTSA-N 2 1 408.537 3.662 20 0 HHADMP C[C@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000483887255 996449747 /nfs/dbraw/zinc/44/97/47/996449747.db2.gz RKFPZFAEIJUXIM-KSEOMHKRSA-N 2 1 410.562 3.626 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000475935522 996483929 /nfs/dbraw/zinc/48/39/29/996483929.db2.gz VIXIWOSKYFYBIT-YKSBVNFPSA-N 2 1 423.605 3.867 20 0 HHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000483998403 996514030 /nfs/dbraw/zinc/51/40/30/996514030.db2.gz CDIVNCIWVGXFCC-DEOSSOPVSA-N 2 1 421.585 3.503 20 0 HHADMP CN(C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000484028199 996530228 /nfs/dbraw/zinc/53/02/28/996530228.db2.gz UPLQUUJGGZBEQG-UHFFFAOYSA-N 2 1 412.553 3.564 20 0 HHADMP CC1(C)C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[C@H]1C(F)(F)F ZINC000484348345 996719524 /nfs/dbraw/zinc/71/95/24/996719524.db2.gz DISXTQWWDZPYRF-LJQANCHMSA-N 2 1 411.512 3.809 20 0 HHADMP CC1(C)C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[C@H]1C(F)(F)F ZINC000484348345 996719531 /nfs/dbraw/zinc/71/95/31/996719531.db2.gz DISXTQWWDZPYRF-LJQANCHMSA-N 2 1 411.512 3.809 20 0 HHADMP CC(C)[NH+](CCn1c(=O)c2ccccc2nc1SC[C@H]1CC[N@@H+](C)C1)C(C)C ZINC000484497298 996823210 /nfs/dbraw/zinc/82/32/10/996823210.db2.gz JNFNAUFJLMCRNF-SFHVURJKSA-N 2 1 402.608 3.559 20 0 HHADMP CN(C(=O)[C@@H]1C[NH+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000476722457 997269359 /nfs/dbraw/zinc/26/93/59/997269359.db2.gz AFFJSSYEXLIRFB-IPMKNSEASA-N 2 1 411.512 3.628 20 0 HHADMP CN(C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000476722457 997269368 /nfs/dbraw/zinc/26/93/68/997269368.db2.gz AFFJSSYEXLIRFB-IPMKNSEASA-N 2 1 411.512 3.628 20 0 HHADMP CN(C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000476722457 997269374 /nfs/dbraw/zinc/26/93/74/997269374.db2.gz AFFJSSYEXLIRFB-IPMKNSEASA-N 2 1 411.512 3.628 20 0 HHADMP COc1ccc(COC[C@H](O)C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000476975040 997594713 /nfs/dbraw/zinc/59/47/13/997594713.db2.gz QMGDHNFBZLOKSI-NZQKXSOJSA-N 2 1 404.595 3.549 20 0 HHADMP CC[C@@H](C)[NH2+][C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccco1 ZINC000485234437 997612909 /nfs/dbraw/zinc/61/29/09/997612909.db2.gz VAKLIIBUZNLDSN-DNVCBOLYSA-N 2 1 413.497 3.841 20 0 HHADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000485391693 997820330 /nfs/dbraw/zinc/82/03/30/997820330.db2.gz CTGQYPQIGBEQBL-XMMPIXPASA-N 2 1 414.638 3.705 20 0 HHADMP CN(C(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000477160608 997822522 /nfs/dbraw/zinc/82/25/22/997822522.db2.gz LBQKVRZWGMMLOL-SFTDATJTSA-N 2 1 404.986 3.573 20 0 HHADMP CN(C(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000477160608 997822538 /nfs/dbraw/zinc/82/25/38/997822538.db2.gz LBQKVRZWGMMLOL-SFTDATJTSA-N 2 1 404.986 3.573 20 0 HHADMP CN(C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)[C@H]1CC[NH+](C2CC2)C1 ZINC000477160608 997822551 /nfs/dbraw/zinc/82/25/51/997822551.db2.gz LBQKVRZWGMMLOL-SFTDATJTSA-N 2 1 404.986 3.573 20 0 HHADMP CN(C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)[C@H]1CC[NH+](C2CC2)C1 ZINC000477160608 997822565 /nfs/dbraw/zinc/82/25/65/997822565.db2.gz LBQKVRZWGMMLOL-SFTDATJTSA-N 2 1 404.986 3.573 20 0 HHADMP COc1ccc([C@@H](CNC(=O)C[N@H+]2CC[C@@H](c3ccccc3)C2)[NH+]2CCCCC2)cc1 ZINC000477218148 997891645 /nfs/dbraw/zinc/89/16/45/997891645.db2.gz FXNVLSMUNWVVQS-ILBGXUMGSA-N 2 1 421.585 3.828 20 0 HHADMP Cc1ccc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)c(OCC[NH+](C)C)c1 ZINC000485517449 997974538 /nfs/dbraw/zinc/97/45/38/997974538.db2.gz PFPZUSBCTNXFBR-UHFFFAOYSA-N 2 1 415.444 3.706 20 0 HHADMP CC[NH+](CC)CCSCC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477440114 998138493 /nfs/dbraw/zinc/13/84/93/998138493.db2.gz QSVJWCFGBIOTNI-OXJNMPFZSA-N 2 1 416.006 3.663 20 0 HHADMP CN(C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)C(C)(C)C[NH+]1CCCCCC1 ZINC000485764402 998238357 /nfs/dbraw/zinc/23/83/57/998238357.db2.gz AKQWPLWBNBEFRB-UHFFFAOYSA-N 2 1 405.493 3.932 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cc(F)c(Cl)cc1F ZINC000486397152 998746602 /nfs/dbraw/zinc/74/66/02/998746602.db2.gz XRJNCDCUPCEJHJ-UHFFFAOYSA-N 2 1 413.940 3.887 20 0 HHADMP O=C([C@@H]1CCCc2[nH+]ccn21)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000486546406 998818131 /nfs/dbraw/zinc/81/81/31/998818131.db2.gz OHADSFLQRCNNMU-MOPGFXCFSA-N 2 1 420.479 3.674 20 0 HHADMP O=C([C@@H]1CCCc2[nH+]ccn21)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000486546406 998818138 /nfs/dbraw/zinc/81/81/38/998818138.db2.gz OHADSFLQRCNNMU-MOPGFXCFSA-N 2 1 420.479 3.674 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000487031356 999042468 /nfs/dbraw/zinc/04/24/68/999042468.db2.gz TXBNKCKLMIGKGV-HSZRJFAPSA-N 2 1 423.626 3.530 20 0 HHADMP C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000487060775 999051001 /nfs/dbraw/zinc/05/10/01/999051001.db2.gz BPSLTCYYWJMEIJ-AWRGLXIESA-N 2 1 408.590 3.717 20 0 HHADMP C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000487060775 999051004 /nfs/dbraw/zinc/05/10/04/999051004.db2.gz BPSLTCYYWJMEIJ-AWRGLXIESA-N 2 1 408.590 3.717 20 0 HHADMP C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000487060775 999051008 /nfs/dbraw/zinc/05/10/08/999051008.db2.gz BPSLTCYYWJMEIJ-AWRGLXIESA-N 2 1 408.590 3.717 20 0 HHADMP C[C@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487061358 999051137 /nfs/dbraw/zinc/05/11/37/999051137.db2.gz DAZBASDFJPKKLT-RXVVDRJESA-N 2 1 412.553 3.597 20 0 HHADMP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000478791386 999142626 /nfs/dbraw/zinc/14/26/26/999142626.db2.gz DJGSAJDEQWJWAT-REWPJTCUSA-N 2 1 424.589 3.604 20 0 HHADMP CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N[C@H]3CCC[C@H]([NH+](C)C)C3)c2c1C ZINC000487651575 999242088 /nfs/dbraw/zinc/24/20/88/999242088.db2.gz YZCUUNBNFIBLEY-GJZGRUSLSA-N 2 1 419.595 3.523 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000479073162 999280996 /nfs/dbraw/zinc/28/09/96/999280996.db2.gz DCIOBAJCDDCGSM-DXIQSLLYSA-N 2 1 415.603 3.512 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000479073162 999281001 /nfs/dbraw/zinc/28/10/01/999281001.db2.gz DCIOBAJCDDCGSM-DXIQSLLYSA-N 2 1 415.603 3.512 20 0 HHADMP C[NH+](C)CCN1CCC(C[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479074097 999281428 /nfs/dbraw/zinc/28/14/28/999281428.db2.gz YYGDKPWSGLUHPI-FQEVSTJZSA-N 2 1 412.391 3.903 20 0 HHADMP O=C([C@H](c1ccccc1)[NH+]1CCSCC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000487875967 999301209 /nfs/dbraw/zinc/30/12/09/999301209.db2.gz PPIWFGJKEXFCTL-GGAORHGYSA-N 2 1 415.647 3.891 20 0 HHADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000487881070 999303116 /nfs/dbraw/zinc/30/31/16/999303116.db2.gz NPQRPBQPGIKRIV-YHYVQYDKSA-N 2 1 422.564 3.766 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000487881070 999303122 /nfs/dbraw/zinc/30/31/22/999303122.db2.gz NPQRPBQPGIKRIV-YHYVQYDKSA-N 2 1 422.564 3.766 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000487881070 999303128 /nfs/dbraw/zinc/30/31/28/999303128.db2.gz NPQRPBQPGIKRIV-YHYVQYDKSA-N 2 1 422.564 3.766 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000487881070 999303132 /nfs/dbraw/zinc/30/31/32/999303132.db2.gz NPQRPBQPGIKRIV-YHYVQYDKSA-N 2 1 422.564 3.766 20 0 HHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000479276993 999360840 /nfs/dbraw/zinc/36/08/40/999360840.db2.gz CBMOHFFPQRTOFF-AGHHOFFYSA-N 2 1 417.391 3.853 20 0 HHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000479276993 999360843 /nfs/dbraw/zinc/36/08/43/999360843.db2.gz CBMOHFFPQRTOFF-AGHHOFFYSA-N 2 1 417.391 3.853 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000479344640 999395458 /nfs/dbraw/zinc/39/54/58/999395458.db2.gz FZDJBKBQPIDQNC-NZQKXSOJSA-N 2 1 400.611 3.933 20 0 HHADMP CCOCCC[N@H+]1CC[C@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@@H](C)C1 ZINC000479478534 999434852 /nfs/dbraw/zinc/43/48/52/999434852.db2.gz NKIZRSBLBKBERQ-ACAXCVFMSA-N 2 1 405.549 3.518 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)[C@@H](C)C1 ZINC000479478534 999434854 /nfs/dbraw/zinc/43/48/54/999434854.db2.gz NKIZRSBLBKBERQ-ACAXCVFMSA-N 2 1 405.549 3.518 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)[C@@H](C)C1 ZINC000479478534 999434857 /nfs/dbraw/zinc/43/48/57/999434857.db2.gz NKIZRSBLBKBERQ-ACAXCVFMSA-N 2 1 405.549 3.518 20 0 HHADMP CC[NH+](CC)CC1CC[NH+](Cc2nc(-c3ccc(OC(F)F)c(OC)c3)no2)CC1 ZINC000488315034 999436348 /nfs/dbraw/zinc/43/63/48/999436348.db2.gz ZDHRRKSPOBGOKE-UHFFFAOYSA-N 2 1 424.492 3.900 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccco1 ZINC000488459701 999492981 /nfs/dbraw/zinc/49/29/81/999492981.db2.gz LSQMJNCSWBNXGG-DHLKQENFSA-N 2 1 424.589 3.970 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000488527800 999518524 /nfs/dbraw/zinc/51/85/24/999518524.db2.gz DUTHNFSOQCZBQT-HYBUGGRVSA-N 2 1 408.590 3.848 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000488527800 999518526 /nfs/dbraw/zinc/51/85/26/999518526.db2.gz DUTHNFSOQCZBQT-HYBUGGRVSA-N 2 1 408.590 3.848 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000488527800 999518528 /nfs/dbraw/zinc/51/85/28/999518528.db2.gz DUTHNFSOQCZBQT-HYBUGGRVSA-N 2 1 408.590 3.848 20 0 HHADMP CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000488545787 999523448 /nfs/dbraw/zinc/52/34/48/999523448.db2.gz JTCHPCJADAPCJY-URXFXBBRSA-N 2 1 414.638 3.954 20 0 HHADMP COC[C@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)cc1 ZINC000488699073 999578177 /nfs/dbraw/zinc/57/81/77/999578177.db2.gz ZXYLHQXZNTYZER-QFIPXVFZSA-N 2 1 415.965 3.529 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000479882190 999635229 /nfs/dbraw/zinc/63/52/29/999635229.db2.gz DTRORKQQRPKUGC-GOSISDBHSA-N 2 1 408.546 3.654 20 0 HHADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000479891324 999638107 /nfs/dbraw/zinc/63/81/07/999638107.db2.gz PENGUIGQMDNBPL-IBGZPJMESA-N 2 1 410.562 3.900 20 0 HHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000479908945 999644911 /nfs/dbraw/zinc/64/49/11/999644911.db2.gz FXKGNCUPPVWHRX-RTBURBONSA-N 2 1 419.591 3.673 20 0 HHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000479908945 999644917 /nfs/dbraw/zinc/64/49/17/999644917.db2.gz FXKGNCUPPVWHRX-RTBURBONSA-N 2 1 419.591 3.673 20 0 HHADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H](C)C1 ZINC000488963852 999659009 /nfs/dbraw/zinc/65/90/09/999659009.db2.gz XGBGACJKKHJVPQ-PBJYZGJWSA-N 2 1 410.606 3.554 20 0 HHADMP C[C@@H]1C[C@H]1[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H](C)C1 ZINC000488963852 999659011 /nfs/dbraw/zinc/65/90/11/999659011.db2.gz XGBGACJKKHJVPQ-PBJYZGJWSA-N 2 1 410.606 3.554 20 0 HHADMP C[C@@H]1C[C@H]1[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H](C)C1 ZINC000488963852 999659012 /nfs/dbraw/zinc/65/90/12/999659012.db2.gz XGBGACJKKHJVPQ-PBJYZGJWSA-N 2 1 410.606 3.554 20 0 HHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000489337606 999748417 /nfs/dbraw/zinc/74/84/17/999748417.db2.gz LZMSMXWIMZXRDI-FQEVSTJZSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000489337610 999748473 /nfs/dbraw/zinc/74/84/73/999748473.db2.gz LZMSMXWIMZXRDI-HXUWFJFHSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(-n2cncn2)cc1 ZINC000480244048 999754959 /nfs/dbraw/zinc/75/49/59/999754959.db2.gz UMVGYELZCYGFHA-ZCNNSNEGSA-N 2 1 405.546 3.727 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000489441932 999768177 /nfs/dbraw/zinc/76/81/77/999768177.db2.gz UHHNSNJAHWYPCW-RDGATRHJSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000489441932 999768179 /nfs/dbraw/zinc/76/81/79/999768179.db2.gz UHHNSNJAHWYPCW-RDGATRHJSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000489441932 999768182 /nfs/dbraw/zinc/76/81/82/999768182.db2.gz UHHNSNJAHWYPCW-RDGATRHJSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000489444494 999768830 /nfs/dbraw/zinc/76/88/30/999768830.db2.gz XXVWJKIAQYDEGM-SXSPYAJSSA-N 2 1 412.553 3.638 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000489527553 999784611 /nfs/dbraw/zinc/78/46/11/999784611.db2.gz QIIYDAQOXPRLPG-YZGWKJHDSA-N 2 1 400.592 3.561 20 0 HHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000480387203 999786645 /nfs/dbraw/zinc/78/66/45/999786645.db2.gz DOUWMPFSYKPRKP-ALNDXVPUSA-N 2 1 408.586 3.878 20 0 HHADMP Cc1ccccc1[C@H](OC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000480387203 999786648 /nfs/dbraw/zinc/78/66/48/999786648.db2.gz DOUWMPFSYKPRKP-ALNDXVPUSA-N 2 1 408.586 3.878 20 0 HHADMP Cc1ccccc1[C@H](OC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000480387203 999786651 /nfs/dbraw/zinc/78/66/51/999786651.db2.gz DOUWMPFSYKPRKP-ALNDXVPUSA-N 2 1 408.586 3.878 20 0 HHADMP Cc1ccc([C@H](OC[C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c2ccccc2)cc1 ZINC000480394510 999788265 /nfs/dbraw/zinc/78/82/65/999788265.db2.gz OMXIUQIQTCPVEF-BKKFENPESA-N 2 1 408.586 3.878 20 0 HHADMP Cc1ccc([C@H](OC[C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c2ccccc2)cc1 ZINC000480394510 999788271 /nfs/dbraw/zinc/78/82/71/999788271.db2.gz OMXIUQIQTCPVEF-BKKFENPESA-N 2 1 408.586 3.878 20 0 HHADMP Cc1ccc([C@H](OC[C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c2ccccc2)cc1 ZINC000480394510 999788276 /nfs/dbraw/zinc/78/82/76/999788276.db2.gz OMXIUQIQTCPVEF-BKKFENPESA-N 2 1 408.586 3.878 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000489581255 999796750 /nfs/dbraw/zinc/79/67/50/999796750.db2.gz GFQPGMXVVDDOBH-WZONZLPQSA-N 2 1 412.553 3.597 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000489581249 999796881 /nfs/dbraw/zinc/79/68/81/999796881.db2.gz GFQPGMXVVDDOBH-FDDCHVKYSA-N 2 1 412.553 3.597 20 0 HHADMP C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000489616795 999803634 /nfs/dbraw/zinc/80/36/34/999803634.db2.gz ARDKUXQWLKECMB-ZFGGDYGUSA-N 2 1 408.590 3.717 20 0 HHADMP C[C@@H](CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000489616795 999803636 /nfs/dbraw/zinc/80/36/36/999803636.db2.gz ARDKUXQWLKECMB-ZFGGDYGUSA-N 2 1 408.590 3.717 20 0 HHADMP C[C@@H](CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000489616795 999803639 /nfs/dbraw/zinc/80/36/39/999803639.db2.gz ARDKUXQWLKECMB-ZFGGDYGUSA-N 2 1 408.590 3.717 20 0 HHADMP Cc1ccccc1CCNC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489636286 999807412 /nfs/dbraw/zinc/80/74/12/999807412.db2.gz SPBHRRAWKLCTDL-QFIPXVFZSA-N 2 1 407.602 3.886 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000480603088 999838496 /nfs/dbraw/zinc/83/84/96/999838496.db2.gz BONYMJMIMVSADF-CYFREDJKSA-N 2 1 409.549 3.931 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000480603088 999838499 /nfs/dbraw/zinc/83/84/99/999838499.db2.gz BONYMJMIMVSADF-CYFREDJKSA-N 2 1 409.549 3.931 20 0 HHADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000480624503 999844082 /nfs/dbraw/zinc/84/40/82/999844082.db2.gz YZXHRBDPXMFTTH-OALUTQOASA-N 2 1 415.603 3.677 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[NH+](C)C ZINC000489878234 999853806 /nfs/dbraw/zinc/85/38/06/999853806.db2.gz ZURHRDQPCSXFHO-QHCPKHFHSA-N 2 1 424.589 3.604 20 0 HHADMP COc1ccc(-c2noc([C@H](C)[NH+]3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n2)cc1 ZINC000490084219 999890533 /nfs/dbraw/zinc/89/05/33/999890533.db2.gz YFGXANYTMKEFFU-KSZLIROESA-N 2 1 414.550 3.627 20 0 HHADMP COc1ccc(-c2noc([C@H](C)[NH+]3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n2)cc1 ZINC000490084219 999890536 /nfs/dbraw/zinc/89/05/36/999890536.db2.gz YFGXANYTMKEFFU-KSZLIROESA-N 2 1 414.550 3.627 20 0 HHADMP COc1cccc([C@H]2[C@@H](NC(=O)NCc3cccc(C[NH+](C)C)c3)CC[N@H+]2C2CC2)c1 ZINC000490088284 999891295 /nfs/dbraw/zinc/89/12/95/999891295.db2.gz LAHZFEUWHXIBSN-ZEQRLZLVSA-N 2 1 422.573 3.534 20 0 HHADMP CC(C)[C@H](CSc1ccccc1)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000490141562 999899382 /nfs/dbraw/zinc/89/93/82/999899382.db2.gz CBAGXDNKRHCHDZ-QHCPKHFHSA-N 2 1 411.615 3.981 20 0 HHADMP CCC[N@H+](C)[C@H](CNC(=O)NC[C@@H](C)Cn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000490190649 999907858 /nfs/dbraw/zinc/90/78/58/999907858.db2.gz KURRNTZLNZOYOS-OXQOHEQNSA-N 2 1 405.974 3.863 20 0 HHADMP CCC[N@@H+](C)[C@H](CNC(=O)NC[C@@H](C)Cn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000490190649 999907861 /nfs/dbraw/zinc/90/78/61/999907861.db2.gz KURRNTZLNZOYOS-OXQOHEQNSA-N 2 1 405.974 3.863 20 0 HHADMP CCC[N@H+](C)[C@H](CNC(=O)NC[C@H](C)Cn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000490190648 999908000 /nfs/dbraw/zinc/90/80/00/999908000.db2.gz KURRNTZLNZOYOS-OXJNMPFZSA-N 2 1 405.974 3.863 20 0 HHADMP CCC[N@@H+](C)[C@H](CNC(=O)NC[C@H](C)Cn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000490190648 999908004 /nfs/dbraw/zinc/90/80/04/999908004.db2.gz KURRNTZLNZOYOS-OXJNMPFZSA-N 2 1 405.974 3.863 20 0 HHADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490755197 1000001260 /nfs/dbraw/zinc/00/12/60/1000001260.db2.gz GIRMEDFCBXONJJ-BPUDTRNYSA-N 2 1 409.549 3.817 20 0 HHADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490755197 1000001262 /nfs/dbraw/zinc/00/12/62/1000001262.db2.gz GIRMEDFCBXONJJ-BPUDTRNYSA-N 2 1 409.549 3.817 20 0 HHADMP C[C@H](NC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490755197 1000001264 /nfs/dbraw/zinc/00/12/64/1000001264.db2.gz GIRMEDFCBXONJJ-BPUDTRNYSA-N 2 1 409.549 3.817 20 0 HHADMP C[C@H](NC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490755197 1000001270 /nfs/dbraw/zinc/00/12/70/1000001270.db2.gz GIRMEDFCBXONJJ-BPUDTRNYSA-N 2 1 409.549 3.817 20 0 HHADMP C[C@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490799785 1000007936 /nfs/dbraw/zinc/00/79/36/1000007936.db2.gz SSEXTNNZIQRTGR-SIKLNZKXSA-N 2 1 400.526 3.888 20 0 HHADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000490952140 1000026566 /nfs/dbraw/zinc/02/65/66/1000026566.db2.gz QHGVYVZBISOJKS-RBUKOAKNSA-N 2 1 404.624 3.520 20 0 HHADMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490993365 1000031552 /nfs/dbraw/zinc/03/15/52/1000031552.db2.gz GJFDWGJYCFBTSE-OFVILXPXSA-N 2 1 420.601 3.640 20 0 HHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[NH+](C)C ZINC000492515516 1000130407 /nfs/dbraw/zinc/13/04/07/1000130407.db2.gz NYFFMPQZMVMJKG-PFATUAPWSA-N 2 1 422.617 3.850 20 0 HHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000494005338 1000263687 /nfs/dbraw/zinc/26/36/87/1000263687.db2.gz XZPHHLWLIGIRIZ-OAQYLSRUSA-N 2 1 400.567 3.704 20 0 HHADMP C[N@@H+]1CCN(C(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)[C@@H](c2ccccc2)C1 ZINC000504785352 1000369131 /nfs/dbraw/zinc/36/91/31/1000369131.db2.gz JBPNEPPIAANBKC-HSZRJFAPSA-N 2 1 406.574 3.522 20 0 HHADMP C[N@H+]1CCN(C(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)[C@@H](c2ccccc2)C1 ZINC000504785352 1000369137 /nfs/dbraw/zinc/36/91/37/1000369137.db2.gz JBPNEPPIAANBKC-HSZRJFAPSA-N 2 1 406.574 3.522 20 0 HHADMP C[NH+]1CCN(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)[C@@H](c2ccccc2)C1 ZINC000504785352 1000369145 /nfs/dbraw/zinc/36/91/45/1000369145.db2.gz JBPNEPPIAANBKC-HSZRJFAPSA-N 2 1 406.574 3.522 20 0 HHADMP C[NH+]1CCN(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)[C@@H](c2ccccc2)C1 ZINC000504785352 1000369156 /nfs/dbraw/zinc/36/91/56/1000369156.db2.gz JBPNEPPIAANBKC-HSZRJFAPSA-N 2 1 406.574 3.522 20 0 HHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000504868682 1000414881 /nfs/dbraw/zinc/41/48/81/1000414881.db2.gz HRQXXLXWBCCCOK-FQEVSTJZSA-N 2 1 424.589 3.976 20 0 HHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504924405 1000451354 /nfs/dbraw/zinc/45/13/54/1000451354.db2.gz MIMZXKWEZGVUQQ-XMMPIXPASA-N 2 1 408.590 3.992 20 0 HHADMP CCc1ccc([C@H](CNC(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)[NH+](C)C)cc1 ZINC000504983745 1000488105 /nfs/dbraw/zinc/48/81/05/1000488105.db2.gz UPOSTTUUJZZYJB-UWJYYQICSA-N 2 1 414.619 3.659 20 0 HHADMP CCc1ccc([C@H](CNC(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)[NH+](C)C)cc1 ZINC000504983745 1000488109 /nfs/dbraw/zinc/48/81/09/1000488109.db2.gz UPOSTTUUJZZYJB-UWJYYQICSA-N 2 1 414.619 3.659 20 0 HHADMP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@@H+]1CCc2sccc2C1 ZINC000504988853 1000491190 /nfs/dbraw/zinc/49/11/90/1000491190.db2.gz PSBLFONPPKLEHW-GOSISDBHSA-N 2 1 412.603 3.590 20 0 HHADMP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@H+]1CCc2sccc2C1 ZINC000504988853 1000491194 /nfs/dbraw/zinc/49/11/94/1000491194.db2.gz PSBLFONPPKLEHW-GOSISDBHSA-N 2 1 412.603 3.590 20 0 HHADMP CC(C)c1cnc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000494925999 1000732939 /nfs/dbraw/zinc/73/29/39/1000732939.db2.gz ZKWAHTMXQVEZIU-UHFFFAOYSA-N 2 1 407.628 3.927 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000494942656 1000743898 /nfs/dbraw/zinc/74/38/98/1000743898.db2.gz YHQOSSCKCZIFQT-CEXWTWQISA-N 2 1 408.468 3.779 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000494942656 1000743905 /nfs/dbraw/zinc/74/39/05/1000743905.db2.gz YHQOSSCKCZIFQT-CEXWTWQISA-N 2 1 408.468 3.779 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2cc(Cl)cs2)CC1)Cc1ccccc1 ZINC000494982361 1000762245 /nfs/dbraw/zinc/76/22/45/1000762245.db2.gz XHXHFVQVFWVVJE-UHFFFAOYSA-N 2 1 405.995 3.862 20 0 HHADMP C[NH+](C)CCOc1cccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000495184255 1000905898 /nfs/dbraw/zinc/90/58/98/1000905898.db2.gz OOPJBCIPZYZWQI-GOSISDBHSA-N 2 1 416.591 3.722 20 0 HHADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000505761458 1001010563 /nfs/dbraw/zinc/01/05/63/1001010563.db2.gz HAPAMEHLFOMFPR-DHLKQENFSA-N 2 1 422.573 3.724 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495432660 1001010779 /nfs/dbraw/zinc/01/07/79/1001010779.db2.gz KDHPRENMZDANIY-QKLQHJQFSA-N 2 1 404.551 3.790 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495432660 1001010787 /nfs/dbraw/zinc/01/07/87/1001010787.db2.gz KDHPRENMZDANIY-QKLQHJQFSA-N 2 1 404.551 3.790 20 0 HHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000495434208 1001011425 /nfs/dbraw/zinc/01/14/25/1001011425.db2.gz QRNOZASETIEKPM-WFXMLNOXSA-N 2 1 401.576 3.619 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc(-c2cccs2)nc1C ZINC000505785416 1001022641 /nfs/dbraw/zinc/02/26/41/1001022641.db2.gz UMRBKKHITKLUCN-INIZCTEOSA-N 2 1 406.621 3.668 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1cccc(Cl)c1 ZINC000495591978 1001049490 /nfs/dbraw/zinc/04/94/90/1001049490.db2.gz NDKMDKULLNOWPH-QGZVFWFLSA-N 2 1 401.938 3.852 20 0 HHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000505912454 1001096715 /nfs/dbraw/zinc/09/67/15/1001096715.db2.gz MSWMTZFTKCWDDJ-XPNTWCBSSA-N 2 1 415.647 3.890 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000505912454 1001096723 /nfs/dbraw/zinc/09/67/23/1001096723.db2.gz MSWMTZFTKCWDDJ-XPNTWCBSSA-N 2 1 415.647 3.890 20 0 HHADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000497473544 1001385382 /nfs/dbraw/zinc/38/53/82/1001385382.db2.gz UFVCDBGNICMZDF-AHRSYUTCSA-N 2 1 424.511 3.548 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497562297 1001436470 /nfs/dbraw/zinc/43/64/70/1001436470.db2.gz YFPGZAASGRKQJZ-OAQYLSRUSA-N 2 1 412.622 3.947 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497562123 1001436510 /nfs/dbraw/zinc/43/65/10/1001436510.db2.gz UTBGJDYIIWOUHZ-HSZRJFAPSA-N 2 1 412.622 3.505 20 0 HHADMP CS[C@H]1CN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C[C@H]1[NH+](C)C ZINC000497656993 1001474731 /nfs/dbraw/zinc/47/47/31/1001474731.db2.gz KLSXOLUGDMSCJK-RTWAWAEBSA-N 2 1 404.624 3.960 20 0 HHADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000497662076 1001476525 /nfs/dbraw/zinc/47/65/25/1001476525.db2.gz YQUCHKBDAGNRRY-ZLNRFVROSA-N 2 1 412.622 3.585 20 0 HHADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000497662076 1001476527 /nfs/dbraw/zinc/47/65/27/1001476527.db2.gz YQUCHKBDAGNRRY-ZLNRFVROSA-N 2 1 412.622 3.585 20 0 HHADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000497662076 1001476531 /nfs/dbraw/zinc/47/65/31/1001476531.db2.gz YQUCHKBDAGNRRY-ZLNRFVROSA-N 2 1 412.622 3.585 20 0 HHADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000497662075 1001476622 /nfs/dbraw/zinc/47/66/22/1001476622.db2.gz YQUCHKBDAGNRRY-YTFSRNRJSA-N 2 1 412.622 3.585 20 0 HHADMP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000497662075 1001476625 /nfs/dbraw/zinc/47/66/25/1001476625.db2.gz YQUCHKBDAGNRRY-YTFSRNRJSA-N 2 1 412.622 3.585 20 0 HHADMP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000497662075 1001476629 /nfs/dbraw/zinc/47/66/29/1001476629.db2.gz YQUCHKBDAGNRRY-YTFSRNRJSA-N 2 1 412.622 3.585 20 0 HHADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000497826627 1001526735 /nfs/dbraw/zinc/52/67/35/1001526735.db2.gz VPGFFNMHAUWEJQ-OAQYLSRUSA-N 2 1 420.395 3.995 20 0 HHADMP C[NH+](C)C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(F)cc1 ZINC000498022096 1001608990 /nfs/dbraw/zinc/60/89/90/1001608990.db2.gz CVAUQBPTLKHQJK-HFSMHLIXSA-N 2 1 418.582 3.872 20 0 HHADMP COc1cccc([C@H](CNC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)c1 ZINC000498121462 1001650532 /nfs/dbraw/zinc/65/05/32/1001650532.db2.gz QOFXOPFBGVZHPM-KWOQKUFVSA-N 2 1 424.589 3.508 20 0 HHADMP COc1cccc([C@H](CNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)[NH+](C)C)c1 ZINC000506953765 1001726519 /nfs/dbraw/zinc/72/65/19/1001726519.db2.gz QEJJKUYJBQYHSO-QTEQDKRBSA-N 2 1 416.610 3.594 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCCC1 ZINC000498618106 1002018481 /nfs/dbraw/zinc/01/84/81/1002018481.db2.gz MBWNPKBSVCRBNA-XZOQPEGZSA-N 2 1 407.558 3.613 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCCC1 ZINC000498618105 1002018646 /nfs/dbraw/zinc/01/86/46/1002018646.db2.gz MBWNPKBSVCRBNA-PKTZIBPZSA-N 2 1 407.558 3.613 20 0 HHADMP CC(C)c1ccc(-c2nc(C[NH+]3CCC(C(=O)NCC[NH+](C)C)CC3)cs2)cc1 ZINC000507408895 1002056140 /nfs/dbraw/zinc/05/61/40/1002056140.db2.gz ZQVPUJWYKQRMBA-UHFFFAOYSA-N 2 1 414.619 3.823 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CCCC23CC[NH+](C)CC3)[C@H]1c1ccc(F)c(F)c1 ZINC000498663928 1002057648 /nfs/dbraw/zinc/05/76/48/1002057648.db2.gz PUXSCMFTNSNQCE-LEWJYISDSA-N 2 1 420.548 3.758 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CCCC23CC[NH+](C)CC3)[C@H]1c1ccc(F)c(F)c1 ZINC000498663928 1002057655 /nfs/dbraw/zinc/05/76/55/1002057655.db2.gz PUXSCMFTNSNQCE-LEWJYISDSA-N 2 1 420.548 3.758 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)[C@@H]1c1ccc(F)c(F)c1 ZINC000498670227 1002063497 /nfs/dbraw/zinc/06/34/97/1002063497.db2.gz IKCVJOZLQAGILH-YCZSINBZSA-N 2 1 420.548 3.614 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)[C@@H]1c1ccc(F)c(F)c1 ZINC000498670227 1002063506 /nfs/dbraw/zinc/06/35/06/1002063506.db2.gz IKCVJOZLQAGILH-YCZSINBZSA-N 2 1 420.548 3.614 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)[C@@H]1c1ccc(F)c(F)c1 ZINC000498670227 1002063508 /nfs/dbraw/zinc/06/35/08/1002063508.db2.gz IKCVJOZLQAGILH-YCZSINBZSA-N 2 1 420.548 3.614 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)[C@@H]1c1ccc(F)c(F)c1 ZINC000498670227 1002063514 /nfs/dbraw/zinc/06/35/14/1002063514.db2.gz IKCVJOZLQAGILH-YCZSINBZSA-N 2 1 420.548 3.614 20 0 HHADMP C[NH+]1CCC(C)(C[NH2+][C@@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)CC1 ZINC000507441503 1002071637 /nfs/dbraw/zinc/07/16/37/1002071637.db2.gz LRHLKGNARPDHOL-NRFANRHFSA-N 2 1 422.541 3.779 20 0 HHADMP O=C([C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)N1CCCC1 ZINC000507466813 1002088211 /nfs/dbraw/zinc/08/82/11/1002088211.db2.gz DKNAAJLRCLLILU-ZJSPYRCASA-N 2 1 417.597 3.720 20 0 HHADMP O=C([C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)N1CCCC1 ZINC000507466813 1002088224 /nfs/dbraw/zinc/08/82/24/1002088224.db2.gz DKNAAJLRCLLILU-ZJSPYRCASA-N 2 1 417.597 3.720 20 0 HHADMP C[C@H](NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498706348 1002090351 /nfs/dbraw/zinc/09/03/51/1002090351.db2.gz FYAOSHLRGVIBLD-UNMCSNQZSA-N 2 1 424.589 3.796 20 0 HHADMP O=C1[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCN1c1ccccc1Cl ZINC000507519817 1002129917 /nfs/dbraw/zinc/12/99/17/1002129917.db2.gz KLKLOFOOKKVGJG-NPDDRXJXSA-N 2 1 409.961 3.946 20 0 HHADMP O=C1[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CCN1c1ccccc1Cl ZINC000507519817 1002129910 /nfs/dbraw/zinc/12/99/10/1002129910.db2.gz KLKLOFOOKKVGJG-NPDDRXJXSA-N 2 1 409.961 3.946 20 0 HHADMP Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)N[C@H](C)C2=CC[NH+](C)CC2)c1 ZINC000498795051 1002180567 /nfs/dbraw/zinc/18/05/67/1002180567.db2.gz AZJPLFSKKPUGJR-QGDZQMKYSA-N 2 1 417.597 3.977 20 0 HHADMP Cc1cccc([C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000498795051 1002180573 /nfs/dbraw/zinc/18/05/73/1002180573.db2.gz AZJPLFSKKPUGJR-QGDZQMKYSA-N 2 1 417.597 3.977 20 0 HHADMP Cc1cccc([C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000498795051 1002180583 /nfs/dbraw/zinc/18/05/83/1002180583.db2.gz AZJPLFSKKPUGJR-QGDZQMKYSA-N 2 1 417.597 3.977 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000507624082 1002228403 /nfs/dbraw/zinc/22/84/03/1002228403.db2.gz YICKGZRZVHAKCI-LEOXJPRUSA-N 2 1 419.548 3.899 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000507624082 1002228418 /nfs/dbraw/zinc/22/84/18/1002228418.db2.gz YICKGZRZVHAKCI-LEOXJPRUSA-N 2 1 419.548 3.899 20 0 HHADMP COc1c(C)cc(C[N@@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1C ZINC000507658023 1002256664 /nfs/dbraw/zinc/25/66/64/1002256664.db2.gz LKGALHMMTGOBNF-UHFFFAOYSA-N 2 1 409.574 3.656 20 0 HHADMP COc1c(C)cc(C[N@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1C ZINC000507658023 1002256657 /nfs/dbraw/zinc/25/66/57/1002256657.db2.gz LKGALHMMTGOBNF-UHFFFAOYSA-N 2 1 409.574 3.656 20 0 HHADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000498893777 1002282994 /nfs/dbraw/zinc/28/29/94/1002282994.db2.gz JYEFFJSOMZDNSU-KWOQKUFVSA-N 2 1 424.589 3.650 20 0 HHADMP Fc1ccc([C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)N2CCOCC2)cc1 ZINC000499153066 1002536831 /nfs/dbraw/zinc/53/68/31/1002536831.db2.gz QQFWESJJDOQJAU-SSUZURRFSA-N 2 1 423.576 3.984 20 0 HHADMP c1ccc(CN2CCO[C@H](C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)cc1 ZINC000499155019 1002538850 /nfs/dbraw/zinc/53/88/50/1002538850.db2.gz GGXINKXOSITPMG-XDZVQPMWSA-N 2 1 405.586 3.673 20 0 HHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H](c2ccccc2)N2CCOCC2)C3)cc1 ZINC000499162180 1002547985 /nfs/dbraw/zinc/54/79/85/1002547985.db2.gz AHROVFHJUIEVHO-FXSWLTOZSA-N 2 1 405.586 3.845 20 0 HHADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000499738277 1003083634 /nfs/dbraw/zinc/08/36/34/1003083634.db2.gz ZKZFSZZURAUZKR-SGRGSNTQSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@H](Nc1ccc(C[NH+]2CCC[C@@H](C(N)=O)C2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508714166 1003153762 /nfs/dbraw/zinc/15/37/62/1003153762.db2.gz UZXWIKYPWGYNNZ-NKKJXINNSA-N 2 1 420.601 3.706 20 0 HHADMP C[C@H](Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508714166 1003153750 /nfs/dbraw/zinc/15/37/50/1003153750.db2.gz UZXWIKYPWGYNNZ-NKKJXINNSA-N 2 1 420.601 3.706 20 0 HHADMP C[C@H](Nc1ccc(C[NH+]2CCC[C@@H](C(N)=O)C2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714166 1003153769 /nfs/dbraw/zinc/15/37/69/1003153769.db2.gz UZXWIKYPWGYNNZ-NKKJXINNSA-N 2 1 420.601 3.706 20 0 HHADMP C[C@H](Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508714169 1003154107 /nfs/dbraw/zinc/15/41/07/1003154107.db2.gz UZXWIKYPWGYNNZ-ZTCOLXNVSA-N 2 1 420.601 3.706 20 0 HHADMP C[C@H](Nc1ccc(C[NH+]2CCC[C@H](C(N)=O)C2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508714169 1003154115 /nfs/dbraw/zinc/15/41/15/1003154115.db2.gz UZXWIKYPWGYNNZ-ZTCOLXNVSA-N 2 1 420.601 3.706 20 0 HHADMP C[C@H](Nc1ccc(C[NH+]2CCC[C@H](C(N)=O)C2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714169 1003154122 /nfs/dbraw/zinc/15/41/22/1003154122.db2.gz UZXWIKYPWGYNNZ-ZTCOLXNVSA-N 2 1 420.601 3.706 20 0 HHADMP Cc1ccc([C@H](C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)N2CCOCC2)cc1 ZINC000508722064 1003163073 /nfs/dbraw/zinc/16/30/73/1003163073.db2.gz WQANDVKOUVANGP-HRNNMHKYSA-N 2 1 407.602 3.869 20 0 HHADMP C[C@H](NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000508906764 1003344486 /nfs/dbraw/zinc/34/44/86/1003344486.db2.gz OHENNLFGMQDVDK-NNXSRULWSA-N 2 1 400.611 3.974 20 0 HHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000508968147 1003437335 /nfs/dbraw/zinc/43/73/35/1003437335.db2.gz UYDJDRZPTNWGND-CALCHBBNSA-N 2 1 400.485 3.796 20 0 HHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000508968147 1003437266 /nfs/dbraw/zinc/43/72/66/1003437266.db2.gz UYDJDRZPTNWGND-CALCHBBNSA-N 2 1 400.485 3.796 20 0 HHADMP CC[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@H+]1CCc2ccccc2C1 ZINC000500104578 1003466473 /nfs/dbraw/zinc/46/64/73/1003466473.db2.gz PLWPSLHEPUGWRX-RUZDIDTESA-N 2 1 420.601 3.919 20 0 HHADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000500164722 1003518248 /nfs/dbraw/zinc/51/82/48/1003518248.db2.gz URTMXWVEIRKQGW-HXUWFJFHSA-N 2 1 408.590 3.774 20 0 HHADMP COc1ccc(F)cc1C[N@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000509066209 1003527796 /nfs/dbraw/zinc/52/77/96/1003527796.db2.gz SQTMUNZYQLVDGH-UHFFFAOYSA-N 2 1 401.526 3.951 20 0 HHADMP COc1ccc(F)cc1C[N@@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000509066209 1003527804 /nfs/dbraw/zinc/52/78/04/1003527804.db2.gz SQTMUNZYQLVDGH-UHFFFAOYSA-N 2 1 401.526 3.951 20 0 HHADMP C[C@@]1(c2ccccc2)CCC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000500188858 1003535478 /nfs/dbraw/zinc/53/54/78/1003535478.db2.gz WTIHZMBBLNKTJJ-AREMUKBSSA-N 2 1 405.586 3.952 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCN1CCN(c2ccccc2)CC1 ZINC000509156970 1003591321 /nfs/dbraw/zinc/59/13/21/1003591321.db2.gz UBDTXINIXVXATM-OZXSUGGESA-N 2 1 406.618 3.699 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCN1CCN(c2ccccc2)CC1 ZINC000509156970 1003591318 /nfs/dbraw/zinc/59/13/18/1003591318.db2.gz UBDTXINIXVXATM-OZXSUGGESA-N 2 1 406.618 3.699 20 0 HHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000509231492 1003641164 /nfs/dbraw/zinc/64/11/64/1003641164.db2.gz HALBOAWOVGVYMS-DBXWQHBBSA-N 2 1 411.512 3.678 20 0 HHADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000509231492 1003641176 /nfs/dbraw/zinc/64/11/76/1003641176.db2.gz HALBOAWOVGVYMS-DBXWQHBBSA-N 2 1 411.512 3.678 20 0 HHADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000509231492 1003641185 /nfs/dbraw/zinc/64/11/85/1003641185.db2.gz HALBOAWOVGVYMS-DBXWQHBBSA-N 2 1 411.512 3.678 20 0 HHADMP O=C(N1CCC([NH+]2CCCCC2)CC1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000509338229 1003715450 /nfs/dbraw/zinc/71/54/50/1003715450.db2.gz PRXRBSNXWWJMCR-JOCHJYFZSA-N 2 1 423.523 3.918 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000509370244 1003798000 /nfs/dbraw/zinc/79/80/00/1003798000.db2.gz FUXZFOZWUKEUDT-IRLDBZIGSA-N 2 1 422.598 3.593 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000509370244 1003798014 /nfs/dbraw/zinc/79/80/14/1003798014.db2.gz FUXZFOZWUKEUDT-IRLDBZIGSA-N 2 1 422.598 3.593 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000509370244 1003798023 /nfs/dbraw/zinc/79/80/23/1003798023.db2.gz FUXZFOZWUKEUDT-IRLDBZIGSA-N 2 1 422.598 3.593 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000509370244 1003798032 /nfs/dbraw/zinc/79/80/32/1003798032.db2.gz FUXZFOZWUKEUDT-IRLDBZIGSA-N 2 1 422.598 3.593 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000500684399 1003892712 /nfs/dbraw/zinc/89/27/12/1003892712.db2.gz SAVRRMKBWOUPJD-WOIUINJBSA-N 2 1 412.578 3.860 20 0 HHADMP C[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000500839009 1003993729 /nfs/dbraw/zinc/99/37/29/1003993729.db2.gz CIHYPQPOFPCLDD-IAGOWNOFSA-N 2 1 401.501 3.785 20 0 HHADMP C[NH+](C)Cc1cnc(CNc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)s1 ZINC000512072362 1004001105 /nfs/dbraw/zinc/00/11/05/1004001105.db2.gz NMQPYUQWUUMFPT-UHFFFAOYSA-N 2 1 401.580 3.631 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCC[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000512102871 1004025209 /nfs/dbraw/zinc/02/52/09/1004025209.db2.gz ABFRLWOFGMKSTI-YMPZKCBVSA-N 2 1 400.611 3.707 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000512102871 1004025217 /nfs/dbraw/zinc/02/52/17/1004025217.db2.gz ABFRLWOFGMKSTI-YMPZKCBVSA-N 2 1 400.611 3.707 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000512102871 1004025218 /nfs/dbraw/zinc/02/52/18/1004025218.db2.gz ABFRLWOFGMKSTI-YMPZKCBVSA-N 2 1 400.611 3.707 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000512155934 1004064333 /nfs/dbraw/zinc/06/43/33/1004064333.db2.gz LGEULARJFZARGR-YADHBBJMSA-N 2 1 400.611 3.707 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000512155934 1004064338 /nfs/dbraw/zinc/06/43/38/1004064338.db2.gz LGEULARJFZARGR-YADHBBJMSA-N 2 1 400.611 3.707 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000512155934 1004064343 /nfs/dbraw/zinc/06/43/43/1004064343.db2.gz LGEULARJFZARGR-YADHBBJMSA-N 2 1 400.611 3.707 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)NCc2ccc(C[NH+](C)C)cc2)C[N@H+]1Cc1ccccc1 ZINC000509777152 1004088774 /nfs/dbraw/zinc/08/87/74/1004088774.db2.gz LVKUHBJCFUYUGY-YKSBVNFPSA-N 2 1 408.590 3.848 20 0 HHADMP C[C@H]1C[C@@H](CCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000509778329 1004089267 /nfs/dbraw/zinc/08/92/67/1004089267.db2.gz QNCSEFUAKOMLME-AZUAARDMSA-N 2 1 400.611 3.896 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000512189869 1004091285 /nfs/dbraw/zinc/09/12/85/1004091285.db2.gz QBTYRHQVFSLGHN-DHIUTWEWSA-N 2 1 414.638 3.954 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000512189869 1004091296 /nfs/dbraw/zinc/09/12/96/1004091296.db2.gz QBTYRHQVFSLGHN-DHIUTWEWSA-N 2 1 414.638 3.954 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000512189869 1004091304 /nfs/dbraw/zinc/09/13/04/1004091304.db2.gz QBTYRHQVFSLGHN-DHIUTWEWSA-N 2 1 414.638 3.954 20 0 HHADMP C[C@@H](NC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Cl ZINC000501028471 1004132483 /nfs/dbraw/zinc/13/24/83/1004132483.db2.gz YXMMOPVMDJJSFD-QGZVFWFLSA-N 2 1 400.954 3.761 20 0 HHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC000512247722 1004150379 /nfs/dbraw/zinc/15/03/79/1004150379.db2.gz AEHLCJOOMJCLCV-SFHVURJKSA-N 2 1 407.574 3.625 20 0 HHADMP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501063327 1004165218 /nfs/dbraw/zinc/16/52/18/1004165218.db2.gz NZSLAEJECDMWNW-QGZVFWFLSA-N 2 1 400.954 3.588 20 0 HHADMP COC(=O)c1ccc(OCC[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC000501068120 1004170097 /nfs/dbraw/zinc/17/00/97/1004170097.db2.gz KYZIZOCIIKMRLG-UHFFFAOYSA-N 2 1 417.937 3.749 20 0 HHADMP CCC[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512280731 1004182465 /nfs/dbraw/zinc/18/24/65/1004182465.db2.gz POVXHMOFIBWXKN-IBGZPJMESA-N 2 1 403.615 3.667 20 0 HHADMP CCC[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512280731 1004182467 /nfs/dbraw/zinc/18/24/67/1004182467.db2.gz POVXHMOFIBWXKN-IBGZPJMESA-N 2 1 403.615 3.667 20 0 HHADMP CCC[N@H+](CC(=O)N1c2ccccc2C[C@@H]1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512282933 1004185321 /nfs/dbraw/zinc/18/53/21/1004185321.db2.gz NYADNOLGEBRFLV-IBGZPJMESA-N 2 1 421.589 3.752 20 0 HHADMP CCC[N@@H+](CC(=O)N1c2ccccc2C[C@@H]1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512282933 1004185329 /nfs/dbraw/zinc/18/53/29/1004185329.db2.gz NYADNOLGEBRFLV-IBGZPJMESA-N 2 1 421.589 3.752 20 0 HHADMP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000512290035 1004193141 /nfs/dbraw/zinc/19/31/41/1004193141.db2.gz WXOASUWNOCCANH-OEMFJLHTSA-N 2 1 412.599 3.871 20 0 HHADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000501089375 1004195467 /nfs/dbraw/zinc/19/54/67/1004195467.db2.gz QHYZYTJKMVOITM-UWGQAIRJSA-N 2 1 422.976 3.740 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1)c1ccsc1 ZINC000501134324 1004226253 /nfs/dbraw/zinc/22/62/53/1004226253.db2.gz ZFHZPHFUUCPVEP-VQIMIIECSA-N 2 1 420.648 3.939 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1)c1ccsc1 ZINC000501134324 1004226264 /nfs/dbraw/zinc/22/62/64/1004226264.db2.gz ZFHZPHFUUCPVEP-VQIMIIECSA-N 2 1 420.648 3.939 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccsc1 ZINC000501155908 1004240499 /nfs/dbraw/zinc/24/04/99/1004240499.db2.gz WNYSHXOKVGSZNQ-SFTDATJTSA-N 2 1 400.592 3.829 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccsc1 ZINC000501155908 1004240501 /nfs/dbraw/zinc/24/05/01/1004240501.db2.gz WNYSHXOKVGSZNQ-SFTDATJTSA-N 2 1 400.592 3.829 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000512424838 1004290997 /nfs/dbraw/zinc/29/09/97/1004290997.db2.gz URXXLTYARIKWTK-GMKZXUHWSA-N 2 1 412.622 3.947 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000512429941 1004296824 /nfs/dbraw/zinc/29/68/24/1004296824.db2.gz KTSZKRBHUJYQAO-RLBLXZPPSA-N 2 1 400.611 3.801 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000512429941 1004296832 /nfs/dbraw/zinc/29/68/32/1004296832.db2.gz KTSZKRBHUJYQAO-RLBLXZPPSA-N 2 1 400.611 3.801 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000512429941 1004296838 /nfs/dbraw/zinc/29/68/38/1004296838.db2.gz KTSZKRBHUJYQAO-RLBLXZPPSA-N 2 1 400.611 3.801 20 0 HHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000501241558 1004306832 /nfs/dbraw/zinc/30/68/32/1004306832.db2.gz CCXDFTOUJXKNOW-UHFFFAOYSA-N 2 1 414.619 3.660 20 0 HHADMP CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000512487085 1004337546 /nfs/dbraw/zinc/33/75/46/1004337546.db2.gz PXUNBVCGZAGZMP-IRLDBZIGSA-N 2 1 414.638 3.734 20 0 HHADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000510130324 1004345000 /nfs/dbraw/zinc/34/50/00/1004345000.db2.gz YHRACVYFYQEOHH-BDWAOYLISA-N 2 1 422.013 3.856 20 0 HHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000510130324 1004345006 /nfs/dbraw/zinc/34/50/06/1004345006.db2.gz YHRACVYFYQEOHH-BDWAOYLISA-N 2 1 422.013 3.856 20 0 HHADMP CC[C@H](CNC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000501357179 1004364747 /nfs/dbraw/zinc/36/47/47/1004364747.db2.gz JNDKOVUHKMYTCQ-DHIUTWEWSA-N 2 1 412.553 3.565 20 0 HHADMP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501393197 1004388268 /nfs/dbraw/zinc/38/82/68/1004388268.db2.gz PDADTNJXFYERAH-GGAORHGYSA-N 2 1 400.611 3.805 20 0 HHADMP O=C(NCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1Cl ZINC000512621628 1004435328 /nfs/dbraw/zinc/43/53/28/1004435328.db2.gz ZXMBMPZFAXLRMX-UNWVZKJWSA-N 2 1 411.977 3.960 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@@H](c4cccnc4)C3)c2)C1 ZINC000501472915 1004447082 /nfs/dbraw/zinc/44/70/82/1004447082.db2.gz FYSABNPBIQHLFW-JRFVFWCSSA-N 2 1 406.574 3.595 20 0 HHADMP O=C(NC1CC1)c1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512635487 1004447816 /nfs/dbraw/zinc/44/78/16/1004447816.db2.gz HNGKNKZEDFDBQV-ICDZXHCJSA-N 2 1 403.570 3.969 20 0 HHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000512640964 1004452808 /nfs/dbraw/zinc/45/28/08/1004452808.db2.gz BWOQNIMLNJZGQE-OJGLOBPSSA-N 2 1 411.634 3.645 20 0 HHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000512640964 1004452817 /nfs/dbraw/zinc/45/28/17/1004452817.db2.gz BWOQNIMLNJZGQE-OJGLOBPSSA-N 3 1 411.634 3.645 20 0 HHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000512640964 1004452827 /nfs/dbraw/zinc/45/28/27/1004452827.db2.gz BWOQNIMLNJZGQE-OJGLOBPSSA-N 3 1 411.634 3.645 20 0 HHADMP O=C(C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)Nc1ccc(F)c(F)c1F ZINC000512650358 1004461927 /nfs/dbraw/zinc/46/19/27/1004461927.db2.gz ZLVZGHNGHFKORM-YQVWRLOYSA-N 2 1 417.475 3.933 20 0 HHADMP O=C(C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)Nc1ccc(F)c(F)c1F ZINC000512650358 1004461933 /nfs/dbraw/zinc/46/19/33/1004461933.db2.gz ZLVZGHNGHFKORM-YQVWRLOYSA-N 2 1 417.475 3.933 20 0 HHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000512693847 1004499371 /nfs/dbraw/zinc/49/93/71/1004499371.db2.gz QDRPWONCENHVON-FGZHOGPDSA-N 2 1 408.590 3.651 20 0 HHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)c3oc4ccccc4c3C[NH+](C)C)CC2)cc1 ZINC000510355666 1004503785 /nfs/dbraw/zinc/50/37/85/1004503785.db2.gz SYPVUMHUOXUALK-UHFFFAOYSA-N 2 1 421.541 3.851 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)c3oc4ccccc4c3C[NH+](C)C)CC2)cc1 ZINC000510355666 1004503790 /nfs/dbraw/zinc/50/37/90/1004503790.db2.gz SYPVUMHUOXUALK-UHFFFAOYSA-N 2 1 421.541 3.851 20 0 HHADMP COc1ccc([C@@H](CNC(=O)NCCC[N@@H+](C)C2CCCCC2)[NH+]2CCCC2)cc1 ZINC000501602510 1004545327 /nfs/dbraw/zinc/54/53/27/1004545327.db2.gz NDXJPYNVTFZELL-HSZRJFAPSA-N 2 1 416.610 3.786 20 0 HHADMP c1nn([C@@H]2CC[NH+](CCC[N@H+]3CC[C@@H](n4ncc5ccccc54)C3)C2)c2ccccc12 ZINC000510448124 1004573645 /nfs/dbraw/zinc/57/36/45/1004573645.db2.gz ZNICQQPPKLWBGO-DHIUTWEWSA-N 2 1 414.557 3.970 20 0 HHADMP Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(OCC[NH+](C)C)c1 ZINC000512836680 1004595857 /nfs/dbraw/zinc/59/58/57/1004595857.db2.gz AWDGEPZWPXYFMY-RBUKOAKNSA-N 2 1 402.583 3.710 20 0 HHADMP C[C@H](NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510482408 1004599726 /nfs/dbraw/zinc/59/97/26/1004599726.db2.gz PGFKIPJCEVQRJM-CSODHUTKSA-N 2 1 407.002 3.895 20 0 HHADMP C[C@H](NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510482408 1004599737 /nfs/dbraw/zinc/59/97/37/1004599737.db2.gz PGFKIPJCEVQRJM-CSODHUTKSA-N 2 1 407.002 3.895 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000510508903 1004630987 /nfs/dbraw/zinc/63/09/87/1004630987.db2.gz CBJFQOUTLFNYKQ-FPOVZHCZSA-N 2 1 400.611 3.979 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510508903 1004630994 /nfs/dbraw/zinc/63/09/94/1004630994.db2.gz CBJFQOUTLFNYKQ-FPOVZHCZSA-N 2 1 400.611 3.979 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510508903 1004631000 /nfs/dbraw/zinc/63/10/00/1004631000.db2.gz CBJFQOUTLFNYKQ-FPOVZHCZSA-N 2 1 400.611 3.979 20 0 HHADMP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2ccnn2Cc2ccccc2Cl)CC1 ZINC000501775789 1004714944 /nfs/dbraw/zinc/71/49/44/1004714944.db2.gz NQBXZTOGYSRGPE-UHFFFAOYSA-N 2 1 417.985 3.577 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000501784235 1004725027 /nfs/dbraw/zinc/72/50/27/1004725027.db2.gz DGVDZVFAWFZZTI-UHFFFAOYSA-N 2 1 415.622 3.883 20 0 HHADMP COCC[N@H+](C)CCCC1CC[NH+]([C@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000501784810 1004726312 /nfs/dbraw/zinc/72/63/12/1004726312.db2.gz IWKNOPZEGHCUJW-NRFANRHFSA-N 2 1 407.986 3.516 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000501784810 1004726406 /nfs/dbraw/zinc/72/64/06/1004726406.db2.gz IWKNOPZEGHCUJW-NRFANRHFSA-N 2 1 407.986 3.516 20 0 HHADMP C[C@@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510580458 1004727473 /nfs/dbraw/zinc/72/74/73/1004727473.db2.gz OJGZWJWLIXVRFJ-OFNKIYASSA-N 2 1 412.622 3.851 20 0 HHADMP C[C@@H](NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510595650 1004741776 /nfs/dbraw/zinc/74/17/76/1004741776.db2.gz GQSAZKBNZVSIED-MPLDGMKMSA-N 2 1 404.643 3.982 20 0 HHADMP COc1cc(-c2noc(C[NH+]3CCC(CCC[NH+](C)C)CC3)n2)ccc1OC(F)F ZINC000501817248 1004755399 /nfs/dbraw/zinc/75/53/99/1004755399.db2.gz RSKYTZOGJHXWKD-UHFFFAOYSA-N 2 1 424.492 3.900 20 0 HHADMP C[C@@H](CCc1c(F)cccc1F)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000510666206 1004788334 /nfs/dbraw/zinc/78/83/34/1004788334.db2.gz DGYPZNCPERXQDD-FXAWDEMLSA-N 2 1 415.528 3.773 20 0 HHADMP C[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000510822135 1004874636 /nfs/dbraw/zinc/87/46/36/1004874636.db2.gz SQRSJJZKABCRIT-QHCPKHFHSA-N 2 1 408.590 3.848 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)C1 ZINC000510874932 1004905018 /nfs/dbraw/zinc/90/50/18/1004905018.db2.gz RQMZFOHEGIXRLE-PELRDEGISA-N 2 1 422.013 3.856 20 0 HHADMP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000510951852 1004950796 /nfs/dbraw/zinc/95/07/96/1004950796.db2.gz PZLBKKIAPVCUOV-XMSQKQJNSA-N 2 1 415.603 3.546 20 0 HHADMP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000510951852 1004950801 /nfs/dbraw/zinc/95/08/01/1004950801.db2.gz PZLBKKIAPVCUOV-XMSQKQJNSA-N 2 1 415.603 3.546 20 0 HHADMP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000510951850 1004950848 /nfs/dbraw/zinc/95/08/48/1004950848.db2.gz PZLBKKIAPVCUOV-GCJKJVERSA-N 2 1 415.603 3.546 20 0 HHADMP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000510951850 1004950855 /nfs/dbraw/zinc/95/08/55/1004950855.db2.gz PZLBKKIAPVCUOV-GCJKJVERSA-N 2 1 415.603 3.546 20 0 HHADMP O=C(Nc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000510999731 1004973722 /nfs/dbraw/zinc/97/37/22/1004973722.db2.gz NQGVUDIIEFOPFZ-TWDDROGUSA-N 2 1 404.558 3.793 20 0 HHADMP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000511003560 1004975556 /nfs/dbraw/zinc/97/55/56/1004975556.db2.gz YHAQXVMDLJZFGI-RTBURBONSA-N 2 1 422.573 3.994 20 0 HHADMP Cc1cc(N2CCC([NH2+]C3CCN(Cc4ccc(Cl)cc4)CC3)CC2)nc(C)[nH+]1 ZINC000513481519 1004984941 /nfs/dbraw/zinc/98/49/41/1004984941.db2.gz BLEKJOZKGHEXGK-UHFFFAOYSA-N 2 1 413.997 3.970 20 0 HHADMP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cc(Cl)ccc3Cl)c2)C1 ZINC000513487541 1004987181 /nfs/dbraw/zinc/98/71/81/1004987181.db2.gz GIAKVQMNCKNXDZ-QGZVFWFLSA-N 2 1 406.357 3.981 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cc(Cl)ccc3Cl)c2)C1 ZINC000513487541 1004987186 /nfs/dbraw/zinc/98/71/86/1004987186.db2.gz GIAKVQMNCKNXDZ-QGZVFWFLSA-N 2 1 406.357 3.981 20 0 HHADMP COc1cc(C)c(C[C@H](C)[NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)cc1OC ZINC000502285714 1004993915 /nfs/dbraw/zinc/99/39/15/1004993915.db2.gz VJTYGRHWTMJDGS-IBGZPJMESA-N 2 1 404.595 3.956 20 0 HHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000502374700 1005043344 /nfs/dbraw/zinc/04/33/44/1005043344.db2.gz JWEPNVQGHYWBDT-FQEVSTJZSA-N 2 1 406.534 3.827 20 0 HHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000502374700 1005043350 /nfs/dbraw/zinc/04/33/50/1005043350.db2.gz JWEPNVQGHYWBDT-FQEVSTJZSA-N 2 1 406.534 3.827 20 0 HHADMP COC(=O)c1ccc(Cl)c(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000511162005 1005052181 /nfs/dbraw/zinc/05/21/81/1005052181.db2.gz PFIDLBVJFBGUDU-UHFFFAOYSA-N 2 1 422.013 3.755 20 0 HHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccccc3OCc3ccccc3)CC2)CC1 ZINC000513662026 1005071967 /nfs/dbraw/zinc/07/19/67/1005071967.db2.gz SFUXRQHABPNHCK-UHFFFAOYSA-N 2 1 421.585 3.642 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(-c4ccncc4)cc3F)CC2)CC1 ZINC000513683108 1005080717 /nfs/dbraw/zinc/08/07/17/1005080717.db2.gz GPESWZTYBUIGOL-UHFFFAOYSA-N 2 1 424.564 3.654 20 0 HHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)CC1 ZINC000513683058 1005080869 /nfs/dbraw/zinc/08/08/69/1005080869.db2.gz FXEWENGWUZIWNQ-UHFFFAOYSA-N 2 1 415.578 3.930 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccccc3OC3CCCC3)CC2)CC1 ZINC000513684636 1005081538 /nfs/dbraw/zinc/08/15/38/1005081538.db2.gz TUGJKIPGDYEPLO-UHFFFAOYSA-N 2 1 413.606 3.774 20 0 HHADMP C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511232951 1005084262 /nfs/dbraw/zinc/08/42/62/1005084262.db2.gz XBHDZXPFOXXHAW-CEWLAPEOSA-N 2 1 401.570 3.807 20 0 HHADMP C[C@H](NC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511232951 1005084267 /nfs/dbraw/zinc/08/42/67/1005084267.db2.gz XBHDZXPFOXXHAW-CEWLAPEOSA-N 2 1 401.570 3.807 20 0 HHADMP C[C@H](NC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511232951 1005084273 /nfs/dbraw/zinc/08/42/73/1005084273.db2.gz XBHDZXPFOXXHAW-CEWLAPEOSA-N 2 1 401.570 3.807 20 0 HHADMP C[C@@H](CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000502476210 1005087178 /nfs/dbraw/zinc/08/71/78/1005087178.db2.gz XIQHKWMVJGLKMO-XOYNAWAESA-N 2 1 412.622 3.776 20 0 HHADMP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511266314 1005098185 /nfs/dbraw/zinc/09/81/85/1005098185.db2.gz DEQCDJNKJXRVJH-IEBWSBKVSA-N 2 1 422.564 3.691 20 0 HHADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000513769064 1005117644 /nfs/dbraw/zinc/11/76/44/1005117644.db2.gz GDZCJJIMNGBNIM-UHFFFAOYSA-N 2 1 423.605 3.779 20 0 HHADMP C[C@H](NC(=O)N(CCCc1ccccc1)CC[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511309474 1005119175 /nfs/dbraw/zinc/11/91/75/1005119175.db2.gz ROGPGFFSLFBEPV-GMAHTHKFSA-N 2 1 414.638 3.845 20 0 HHADMP C[C@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511439988 1005177397 /nfs/dbraw/zinc/17/73/97/1005177397.db2.gz UKTAAPMOLZIFFO-AZUAARDMSA-N 2 1 418.651 3.912 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)[NH+]2CCCC2)o1 ZINC000511463872 1005187118 /nfs/dbraw/zinc/18/71/18/1005187118.db2.gz QCHCYVNIUSMMGD-DYXWJJEUSA-N 2 1 402.583 3.677 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000514010174 1005226686 /nfs/dbraw/zinc/22/66/86/1005226686.db2.gz UIPGEXGCRCZARZ-HYBUGGRVSA-N 2 1 406.574 3.917 20 0 HHADMP C[C@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000502822357 1005232715 /nfs/dbraw/zinc/23/27/15/1005232715.db2.gz BLCIVJGOTCWCTQ-GUDVDZBRSA-N 2 1 406.640 3.552 20 0 HHADMP C[C@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[N@H+]1CCc2sccc2C1 ZINC000502822357 1005232720 /nfs/dbraw/zinc/23/27/20/1005232720.db2.gz BLCIVJGOTCWCTQ-GUDVDZBRSA-N 2 1 406.640 3.552 20 0 HHADMP CC(C)[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1cccc(Br)c1 ZINC000511601572 1005241000 /nfs/dbraw/zinc/24/10/00/1005241000.db2.gz UDQLZELGDJRGFB-UHFFFAOYSA-N 2 1 410.400 3.649 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000502875120 1005253785 /nfs/dbraw/zinc/25/37/85/1005253785.db2.gz KSFYYLGXQMADPH-OYRHEFFESA-N 2 1 400.611 3.840 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCC[NH+](Cc4ccccc4)C3)CC2)cc1 ZINC000511648175 1005260692 /nfs/dbraw/zinc/26/06/92/1005260692.db2.gz ODOJWHMCCQYPFR-XMMPIXPASA-N 2 1 421.585 3.642 20 0 HHADMP COc1ccc(C[NH+]2CCCN(C(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000511648175 1005260698 /nfs/dbraw/zinc/26/06/98/1005260698.db2.gz ODOJWHMCCQYPFR-XMMPIXPASA-N 2 1 421.585 3.642 20 0 HHADMP COc1ccc(C[NH+]2CCCN(C(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000511648175 1005260704 /nfs/dbraw/zinc/26/07/04/1005260704.db2.gz ODOJWHMCCQYPFR-XMMPIXPASA-N 2 1 421.585 3.642 20 0 HHADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000511650402 1005261632 /nfs/dbraw/zinc/26/16/32/1005261632.db2.gz WCAZMHUULITGTP-UHFFFAOYSA-N 2 1 417.491 3.761 20 0 HHADMP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000502893920 1005263299 /nfs/dbraw/zinc/26/32/99/1005263299.db2.gz TUGACRHWYHXRTH-FQEVSTJZSA-N 2 1 404.574 3.698 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000502893920 1005263301 /nfs/dbraw/zinc/26/33/01/1005263301.db2.gz TUGACRHWYHXRTH-FQEVSTJZSA-N 2 1 404.574 3.698 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000502893920 1005263304 /nfs/dbraw/zinc/26/33/04/1005263304.db2.gz TUGACRHWYHXRTH-FQEVSTJZSA-N 2 1 404.574 3.698 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000502893920 1005263306 /nfs/dbraw/zinc/26/33/06/1005263306.db2.gz TUGACRHWYHXRTH-FQEVSTJZSA-N 2 1 404.574 3.698 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000514101946 1005266097 /nfs/dbraw/zinc/26/60/97/1005266097.db2.gz IUGWQMIMXRBSTL-QHCPKHFHSA-N 2 1 414.638 3.991 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000514101946 1005266101 /nfs/dbraw/zinc/26/61/01/1005266101.db2.gz IUGWQMIMXRBSTL-QHCPKHFHSA-N 2 1 414.638 3.991 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000514101946 1005266107 /nfs/dbraw/zinc/26/61/07/1005266107.db2.gz IUGWQMIMXRBSTL-QHCPKHFHSA-N 2 1 414.638 3.991 20 0 HHADMP CC(C)c1oc([C@@H]2CCC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)nc1-c1ccccc1 ZINC000514107709 1005269050 /nfs/dbraw/zinc/26/90/50/1005269050.db2.gz PFEAJZBUVMRSHK-FQEVSTJZSA-N 2 1 410.562 3.766 20 0 HHADMP CC(C)c1oc([C@@H]2CCC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)nc1-c1ccccc1 ZINC000514107709 1005269054 /nfs/dbraw/zinc/26/90/54/1005269054.db2.gz PFEAJZBUVMRSHK-FQEVSTJZSA-N 2 1 410.562 3.766 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1F ZINC000514112071 1005270746 /nfs/dbraw/zinc/27/07/46/1005270746.db2.gz VYRRPAFHGGJFJF-ROUUACIJSA-N 2 1 415.557 3.877 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1F ZINC000514112066 1005270890 /nfs/dbraw/zinc/27/08/90/1005270890.db2.gz VYRRPAFHGGJFJF-HDICACEKSA-N 2 1 415.557 3.877 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1F ZINC000514112066 1005270894 /nfs/dbraw/zinc/27/08/94/1005270894.db2.gz VYRRPAFHGGJFJF-HDICACEKSA-N 2 1 415.557 3.877 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1F ZINC000514127379 1005278804 /nfs/dbraw/zinc/27/88/04/1005278804.db2.gz UFBINUHMHRVWMD-KRWDZBQOSA-N 2 1 401.530 3.774 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1F ZINC000514127379 1005278808 /nfs/dbraw/zinc/27/88/08/1005278808.db2.gz UFBINUHMHRVWMD-KRWDZBQOSA-N 2 1 401.530 3.774 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)[NH+](C)C)cc1 ZINC000514168110 1005296601 /nfs/dbraw/zinc/29/66/01/1005296601.db2.gz UXKBSYVMXPJEQT-RTWAWAEBSA-N 2 1 402.970 3.853 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1)[NH+](C)C ZINC000514181530 1005301223 /nfs/dbraw/zinc/30/12/23/1005301223.db2.gz CUFSQQPLWZCLRE-XZOQPEGZSA-N 2 1 424.589 3.743 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000514189619 1005304696 /nfs/dbraw/zinc/30/46/96/1005304696.db2.gz JCDKCMFFHRGDPU-QHCPKHFHSA-N 2 1 424.589 3.509 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1Cl ZINC000514192905 1005305889 /nfs/dbraw/zinc/30/58/89/1005305889.db2.gz LWUDHZRLEQVSOK-NRFANRHFSA-N 2 1 407.002 3.897 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000514239967 1005327731 /nfs/dbraw/zinc/32/77/31/1005327731.db2.gz VAVPICYYZGUIMY-RDPSFJRHSA-N 2 1 406.574 3.570 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000514239967 1005327738 /nfs/dbraw/zinc/32/77/38/1005327738.db2.gz VAVPICYYZGUIMY-RDPSFJRHSA-N 2 1 406.574 3.570 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000514239967 1005327742 /nfs/dbraw/zinc/32/77/42/1005327742.db2.gz VAVPICYYZGUIMY-RDPSFJRHSA-N 2 1 406.574 3.570 20 0 HHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000503402255 1005409298 /nfs/dbraw/zinc/40/92/98/1005409298.db2.gz SPYPVHOJTAMQSM-DNQXCXABSA-N 2 1 412.622 3.805 20 0 HHADMP C/C(=C\c1ccccc1C(F)(F)F)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000503937403 1005515526 /nfs/dbraw/zinc/51/55/26/1005515526.db2.gz NBPIYSIQOGLPNV-OBGWFSINSA-N 2 1 423.523 3.985 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)CC1 ZINC000504001412 1005529895 /nfs/dbraw/zinc/52/98/95/1005529895.db2.gz KIYKTRQLBZGJIA-UHFFFAOYSA-N 2 1 400.611 3.758 20 0 HHADMP CC(C)(CNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCCCC1 ZINC000514438248 1005990539 /nfs/dbraw/zinc/99/05/39/1005990539.db2.gz PFRCVNMBVOALRO-UHFFFAOYSA-N 2 1 407.002 3.822 20 0 HHADMP CC(C)(CNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCCCC1 ZINC000514438248 1005990548 /nfs/dbraw/zinc/99/05/48/1005990548.db2.gz PFRCVNMBVOALRO-UHFFFAOYSA-N 2 1 407.002 3.822 20 0 HHADMP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000534124280 1006097985 /nfs/dbraw/zinc/09/79/85/1006097985.db2.gz AIHTWMLKYGQANF-BVSLBCMMSA-N 2 1 412.965 3.509 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000534124280 1006097996 /nfs/dbraw/zinc/09/79/96/1006097996.db2.gz AIHTWMLKYGQANF-BVSLBCMMSA-N 2 1 412.965 3.509 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000534124280 1006098005 /nfs/dbraw/zinc/09/80/05/1006098005.db2.gz AIHTWMLKYGQANF-BVSLBCMMSA-N 2 1 412.965 3.509 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000534124280 1006098018 /nfs/dbraw/zinc/09/80/18/1006098018.db2.gz AIHTWMLKYGQANF-BVSLBCMMSA-N 2 1 412.965 3.509 20 0 HHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3c(C)nn(-c4ccccn4)c3C)CC2)cs1 ZINC000514800646 1006131102 /nfs/dbraw/zinc/13/11/02/1006131102.db2.gz NUOPGMSUGSXFHZ-UHFFFAOYSA-N 2 1 424.618 3.905 20 0 HHADMP CCOc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000534194038 1006184152 /nfs/dbraw/zinc/18/41/52/1006184152.db2.gz KJQTXIASMCWJBV-RTWAWAEBSA-N 2 1 402.583 3.886 20 0 HHADMP CCOc1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000534194036 1006184281 /nfs/dbraw/zinc/18/42/81/1006184281.db2.gz KJQTXIASMCWJBV-LEWJYISDSA-N 2 1 402.583 3.886 20 0 HHADMP CC[C@@H](CNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[N@H+]1CCc2ccccc2C1 ZINC000534237289 1006242351 /nfs/dbraw/zinc/24/23/51/1006242351.db2.gz OIBVWQIHMNDGMY-QFIPXVFZSA-N 2 1 412.553 3.523 20 0 HHADMP C[N@H+]1CC[C@@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534251453 1006259250 /nfs/dbraw/zinc/25/92/50/1006259250.db2.gz OXDIIVIGFVYYBF-XWDORNJCSA-N 2 1 422.976 3.598 20 0 HHADMP C[NH+]1CC[C@@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534251453 1006259261 /nfs/dbraw/zinc/25/92/61/1006259261.db2.gz OXDIIVIGFVYYBF-XWDORNJCSA-N 2 1 422.976 3.598 20 0 HHADMP C[NH+]1CC[C@@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534251453 1006259270 /nfs/dbraw/zinc/25/92/70/1006259270.db2.gz OXDIIVIGFVYYBF-XWDORNJCSA-N 2 1 422.976 3.598 20 0 HHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534252791 1006261222 /nfs/dbraw/zinc/26/12/22/1006261222.db2.gz WXIITULMASAQNE-DCXXXQMHSA-N 2 1 422.976 3.740 20 0 HHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534252791 1006261231 /nfs/dbraw/zinc/26/12/31/1006261231.db2.gz WXIITULMASAQNE-DCXXXQMHSA-N 2 1 422.976 3.740 20 0 HHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534252791 1006261242 /nfs/dbraw/zinc/26/12/42/1006261242.db2.gz WXIITULMASAQNE-DCXXXQMHSA-N 2 1 422.976 3.740 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000531540449 1006264479 /nfs/dbraw/zinc/26/44/79/1006264479.db2.gz OWPINEHBTHELJX-RXVVDRJESA-N 2 1 407.002 3.754 20 0 HHADMP COc1ccccc1-c1ccc([C@@H](C)[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000531629613 1006315704 /nfs/dbraw/zinc/31/57/04/1006315704.db2.gz XJWNCCLNUCCXDD-LJQANCHMSA-N 2 1 417.557 3.755 20 0 HHADMP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1Cl ZINC000531719786 1006377466 /nfs/dbraw/zinc/37/74/66/1006377466.db2.gz PQMPQXDMWGCJLA-OXJNMPFZSA-N 2 1 415.965 3.897 20 0 HHADMP COc1ccc([C@@H](CNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)[NH+]2CCCCC2)cc1 ZINC000515292636 1006380871 /nfs/dbraw/zinc/38/08/71/1006380871.db2.gz MULKIAPBVYUGGJ-NZQKXSOJSA-N 2 1 416.610 3.786 20 0 HHADMP C[NH+]1CCC([C@H]2CCN(C(=O)C[NH+](Cc3ccccc3)Cc3ccccc3)C2)CC1 ZINC000534413291 1006388222 /nfs/dbraw/zinc/38/82/22/1006388222.db2.gz ZHBLHMWDDGPSJQ-VWLOTQADSA-N 2 1 405.586 3.879 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000534441189 1006418730 /nfs/dbraw/zinc/41/87/30/1006418730.db2.gz DKRDPVJDRWCOMO-QEFHDYNCSA-N 2 1 412.622 3.516 20 0 HHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Br)cc4cccnc43)C2)CC1 ZINC000531841980 1006464646 /nfs/dbraw/zinc/46/46/46/1006464646.db2.gz RJZZDRAYTQFZHT-FQEVSTJZSA-N 2 1 417.395 3.598 20 0 HHADMP COc1cccc(CNC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1 ZINC000515518742 1006510999 /nfs/dbraw/zinc/51/09/99/1006510999.db2.gz MXIYZWXNLBCKLA-VQTJNVASSA-N 2 1 409.574 3.722 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000531907464 1006513273 /nfs/dbraw/zinc/51/32/73/1006513273.db2.gz OENPZDAWSKSGDH-UHFFFAOYSA-N 2 1 409.715 3.502 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000531959812 1006547503 /nfs/dbraw/zinc/54/75/03/1006547503.db2.gz WISFBDATHOPUSJ-IBGZPJMESA-N 3 1 404.558 3.988 20 0 HHADMP Cc1c([C@@H](C)N[C@@H](CN2CCN(C)CC2)c2ccccc2)nnn1-c1ccc(C)cc1 ZINC000531965632 1006550874 /nfs/dbraw/zinc/55/08/74/1006550874.db2.gz IULGAGIYLCRUTO-YKSBVNFPSA-N 2 1 418.589 3.523 20 0 HHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000534560249 1006550996 /nfs/dbraw/zinc/55/09/96/1006550996.db2.gz VNEXSTVPWLIYGJ-NRFANRHFSA-N 2 1 400.592 3.788 20 0 HHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000534560249 1006551008 /nfs/dbraw/zinc/55/10/08/1006551008.db2.gz VNEXSTVPWLIYGJ-NRFANRHFSA-N 2 1 400.592 3.788 20 0 HHADMP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1OCc1cccs1 ZINC000532015410 1006577139 /nfs/dbraw/zinc/57/71/39/1006577139.db2.gz FVOAUDAWAFMPPF-NHCUHLMSSA-N 2 1 416.587 3.803 20 0 HHADMP Cc1nc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)oc1-c1ccc(Cl)cc1 ZINC000532090267 1006625935 /nfs/dbraw/zinc/62/59/35/1006625935.db2.gz KQAHXKJJMBDNBI-FQEVSTJZSA-N 2 1 402.970 3.904 20 0 HHADMP Cc1nc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)oc1-c1ccc(Cl)cc1 ZINC000532090267 1006625943 /nfs/dbraw/zinc/62/59/43/1006625943.db2.gz KQAHXKJJMBDNBI-FQEVSTJZSA-N 2 1 402.970 3.904 20 0 HHADMP C[C@H]1C[C@@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000532105698 1006639131 /nfs/dbraw/zinc/63/91/31/1006639131.db2.gz QKSWNNPUPZJJAA-XUZZJYLKSA-N 2 1 406.618 3.970 20 0 HHADMP C[C@H]1C[C@@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000532105698 1006639140 /nfs/dbraw/zinc/63/91/40/1006639140.db2.gz QKSWNNPUPZJJAA-XUZZJYLKSA-N 2 1 406.618 3.970 20 0 HHADMP CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1 ZINC000515756369 1006645764 /nfs/dbraw/zinc/64/57/64/1006645764.db2.gz AOOXJFVFGNHCFT-RBUKOAKNSA-N 2 1 422.573 3.537 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000534683485 1006663289 /nfs/dbraw/zinc/66/32/89/1006663289.db2.gz VJOYCUNBAZSISJ-VJTSUQJLSA-N 2 1 420.601 3.985 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000534683485 1006663296 /nfs/dbraw/zinc/66/32/96/1006663296.db2.gz VJOYCUNBAZSISJ-VJTSUQJLSA-N 2 1 420.601 3.985 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000534683485 1006663305 /nfs/dbraw/zinc/66/33/05/1006663305.db2.gz VJOYCUNBAZSISJ-VJTSUQJLSA-N 2 1 420.601 3.985 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000515820136 1006699176 /nfs/dbraw/zinc/69/91/76/1006699176.db2.gz AAGRUCCMUMPLJY-LJQANCHMSA-N 2 1 400.611 3.981 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000532249824 1006748992 /nfs/dbraw/zinc/74/89/92/1006748992.db2.gz LXZAJMHGIVEEND-KGVIQGDOSA-N 2 1 401.576 3.619 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000532249824 1006749003 /nfs/dbraw/zinc/74/90/03/1006749003.db2.gz LXZAJMHGIVEEND-KGVIQGDOSA-N 2 1 401.576 3.619 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000538536056 1006797763 /nfs/dbraw/zinc/79/77/63/1006797763.db2.gz NCLKDTZNHSLZKK-NBGIEHNGSA-N 2 1 420.601 3.706 20 0 HHADMP COCC[NH+]1CCC([NH2+]Cc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)CC1 ZINC000532361399 1006819281 /nfs/dbraw/zinc/81/92/81/1006819281.db2.gz GKBXNNFDJKXOHN-UHFFFAOYSA-N 2 1 400.567 3.514 20 0 HHADMP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)nc2)CC1 ZINC000532424538 1006868753 /nfs/dbraw/zinc/86/87/53/1006868753.db2.gz YXYFGRNMBFNJFR-QHCPKHFHSA-N 2 1 421.589 3.605 20 0 HHADMP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3CCCC[N@H+]3Cc3ccccc3)nc2)CC1 ZINC000532424538 1006868758 /nfs/dbraw/zinc/86/87/58/1006868758.db2.gz YXYFGRNMBFNJFR-QHCPKHFHSA-N 2 1 421.589 3.605 20 0 HHADMP CC[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000532442143 1006885985 /nfs/dbraw/zinc/88/59/85/1006885985.db2.gz SZJCBRODWWWHOW-RTBURBONSA-N 2 1 401.576 3.549 20 0 HHADMP C[C@@H]1CCC[C@@](CNC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)([NH+](C)C)C1 ZINC000516154623 1006920871 /nfs/dbraw/zinc/92/08/71/1006920871.db2.gz WJOUFDGWZSSENS-UZUQRXQVSA-N 2 1 422.564 3.739 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1c(F)cc(Cl)c(C)c1F ZINC000534910468 1006943696 /nfs/dbraw/zinc/94/36/96/1006943696.db2.gz VGVRRFDTZYPVRS-AWEZNQCLSA-N 2 1 402.917 3.806 20 0 HHADMP C[C@@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000538723149 1006998636 /nfs/dbraw/zinc/99/86/36/1006998636.db2.gz LTQFEOQCUGRVQZ-ZJSXRUAMSA-N 2 1 423.649 3.687 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000538723149 1006998646 /nfs/dbraw/zinc/99/86/46/1006998646.db2.gz LTQFEOQCUGRVQZ-ZJSXRUAMSA-N 2 1 423.649 3.687 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC000538734521 1007016606 /nfs/dbraw/zinc/01/66/06/1007016606.db2.gz HSTABCBIAVQCJY-RPBOFIJWSA-N 2 1 405.586 3.750 20 0 HHADMP O[C@@H](COCc1cccs1)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534965420 1007017459 /nfs/dbraw/zinc/01/74/59/1007017459.db2.gz UVTIJVPCFBKKCP-OAQYLSRUSA-N 2 1 400.588 3.614 20 0 HHADMP C[N@H+]1CC[C@@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534969396 1007023754 /nfs/dbraw/zinc/02/37/54/1007023754.db2.gz RIMHPWYARNJNTK-UWJYYQICSA-N 2 1 422.976 3.646 20 0 HHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1cc(C(F)(F)F)ccc1Br ZINC000516353508 1007036818 /nfs/dbraw/zinc/03/68/18/1007036818.db2.gz XPSXJVSVTKARNW-HNNXBMFYSA-N 2 1 409.290 3.794 20 0 HHADMP C[C@H]1C[C@H](NC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000534978441 1007037125 /nfs/dbraw/zinc/03/71/25/1007037125.db2.gz AAVKOJXJFSXDLC-PGRDOPGGSA-N 2 1 412.553 3.740 20 0 HHADMP CCOc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)ccc1OCC(C)C ZINC000538764019 1007048304 /nfs/dbraw/zinc/04/83/04/1007048304.db2.gz IMQRTZWJTWWCSN-QFIPXVFZSA-N 2 1 403.611 3.720 20 0 HHADMP CCOc1c(OC)cc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000538763139 1007049075 /nfs/dbraw/zinc/04/90/75/1007049075.db2.gz IJUSCQSDRPPOCH-KDURUIRLSA-N 2 1 420.594 3.814 20 0 HHADMP C[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000538780570 1007061604 /nfs/dbraw/zinc/06/16/04/1007061604.db2.gz HASWSOHWVFFBNC-SFHVURJKSA-N 2 1 405.521 3.885 20 0 HHADMP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000538837914 1007109285 /nfs/dbraw/zinc/10/92/85/1007109285.db2.gz NVCHYKUKGNYNJI-VWLOTQADSA-N 2 1 421.585 3.852 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000516578133 1007164096 /nfs/dbraw/zinc/16/40/96/1007164096.db2.gz OOIXDRCNWYHVNC-REWPJTCUSA-N 2 1 400.611 3.975 20 0 HHADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000516578133 1007164107 /nfs/dbraw/zinc/16/41/07/1007164107.db2.gz OOIXDRCNWYHVNC-REWPJTCUSA-N 2 1 400.611 3.975 20 0 HHADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000516578133 1007164114 /nfs/dbraw/zinc/16/41/14/1007164114.db2.gz OOIXDRCNWYHVNC-REWPJTCUSA-N 2 1 400.611 3.975 20 0 HHADMP CCC1(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000532813324 1007198764 /nfs/dbraw/zinc/19/87/64/1007198764.db2.gz CRTDCBUGZLYLIS-RBBKRZOGSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000516624257 1007200202 /nfs/dbraw/zinc/20/02/02/1007200202.db2.gz RZDMQFFIKDCIOT-LJQANCHMSA-N 2 1 416.525 3.906 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC000516624222 1007200829 /nfs/dbraw/zinc/20/08/29/1007200829.db2.gz MNOVFSPHTORGAO-UHFFFAOYSA-N 2 1 415.291 3.594 20 0 HHADMP C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538945595 1007230125 /nfs/dbraw/zinc/23/01/25/1007230125.db2.gz QISVLFJDDCJVRW-MRXNPFEDSA-N 2 1 401.942 3.696 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1F ZINC000516716920 1007253652 /nfs/dbraw/zinc/25/36/52/1007253652.db2.gz OCGKEICLWNAFRO-UHFFFAOYSA-N 2 1 421.520 3.737 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1F ZINC000516716920 1007253665 /nfs/dbraw/zinc/25/36/65/1007253665.db2.gz OCGKEICLWNAFRO-UHFFFAOYSA-N 2 1 421.520 3.737 20 0 HHADMP CC[NH+](CC)CC1CC[NH+](Cc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)CC1 ZINC000538966447 1007256866 /nfs/dbraw/zinc/25/68/66/1007256866.db2.gz KXOWLYAWSNNVMT-OAHLLOKOSA-N 2 1 401.624 3.952 20 0 HHADMP Cc1cc(C)cc(OCCC[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000539145078 1007441146 /nfs/dbraw/zinc/44/11/46/1007441146.db2.gz BFTAJXCTSKYXNX-SZPZYZBQSA-N 2 1 404.595 3.663 20 0 HHADMP Cc1cc(C)cc(OCCC[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000539145078 1007441153 /nfs/dbraw/zinc/44/11/53/1007441153.db2.gz BFTAJXCTSKYXNX-SZPZYZBQSA-N 2 1 404.595 3.663 20 0 HHADMP C[C@H](CNC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000517138662 1007452641 /nfs/dbraw/zinc/45/26/41/1007452641.db2.gz ZCBPLUJIRVKKMZ-HXUWFJFHSA-N 2 1 406.574 3.586 20 0 HHADMP C[C@H](CNC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000517138662 1007452643 /nfs/dbraw/zinc/45/26/43/1007452643.db2.gz ZCBPLUJIRVKKMZ-HXUWFJFHSA-N 2 1 406.574 3.586 20 0 HHADMP C[NH+]1CC[C@@H](NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000535503188 1007558597 /nfs/dbraw/zinc/55/85/97/1007558597.db2.gz DXEDEZHANDBSJM-LNRXMEIDSA-N 2 1 412.965 3.830 20 0 HHADMP C[NH+]1CC[C@@H](NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000535503188 1007558613 /nfs/dbraw/zinc/55/86/13/1007558613.db2.gz DXEDEZHANDBSJM-LNRXMEIDSA-N 2 1 412.965 3.830 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000535503188 1007558621 /nfs/dbraw/zinc/55/86/21/1007558621.db2.gz DXEDEZHANDBSJM-LNRXMEIDSA-N 2 1 412.965 3.830 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000535503188 1007558629 /nfs/dbraw/zinc/55/86/29/1007558629.db2.gz DXEDEZHANDBSJM-LNRXMEIDSA-N 2 1 412.965 3.830 20 0 HHADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)CC1 ZINC000539378568 1007682940 /nfs/dbraw/zinc/68/29/40/1007682940.db2.gz GHCGMBWVOBJVEM-JOCHJYFZSA-N 2 1 420.601 3.590 20 0 HHADMP CCOCCC[N@H+]1CC[C@H](N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)[C@@H](C)C1 ZINC000539395517 1007701270 /nfs/dbraw/zinc/70/12/70/1007701270.db2.gz PPKBKGSKZDZQQH-ACIOBRDBSA-N 2 1 415.622 3.701 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)[C@@H](C)C1 ZINC000539395517 1007701291 /nfs/dbraw/zinc/70/12/91/1007701291.db2.gz PPKBKGSKZDZQQH-ACIOBRDBSA-N 3 1 415.622 3.701 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)[C@@H](C)C1 ZINC000539395517 1007701300 /nfs/dbraw/zinc/70/13/00/1007701300.db2.gz PPKBKGSKZDZQQH-ACIOBRDBSA-N 3 1 415.622 3.701 20 0 HHADMP CCOc1ccc([C@H]2CCCN2C(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000533409458 1007718377 /nfs/dbraw/zinc/71/83/77/1007718377.db2.gz YUXMACMPDFWAMR-HSZRJFAPSA-N 2 1 401.595 3.801 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000517542304 1007758217 /nfs/dbraw/zinc/75/82/17/1007758217.db2.gz OVSCAYMHELSDIT-SQJMNOBHSA-N 2 1 420.601 3.828 20 0 HHADMP C[NH+]1Cc2ccccc2[C@H](Nc2cc(N[C@@H]3C[N@H+](C)Cc4ccccc43)ncn2)C1 ZINC000535739430 1007767378 /nfs/dbraw/zinc/76/73/78/1007767378.db2.gz HKUXUNLAPFMWQD-FGZHOGPDSA-N 2 1 400.530 3.674 20 0 HHADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C12CCC2 ZINC000539496408 1007807409 /nfs/dbraw/zinc/80/74/09/1007807409.db2.gz MDZPWVGFJVYRAM-DHIUTWEWSA-N 2 1 402.579 3.614 20 0 HHADMP COc1ccc(Br)c(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000533497875 1007809066 /nfs/dbraw/zinc/80/90/66/1007809066.db2.gz JJWQGRPFNYHGQO-SFHVURJKSA-N 2 1 424.408 3.598 20 0 HHADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccccc1OCC[NH+](CC)CC ZINC000539543368 1007854193 /nfs/dbraw/zinc/85/41/93/1007854193.db2.gz ZFSLHZQXLUBATG-LJQANCHMSA-N 2 1 413.566 3.863 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)C[NH+]1Cc1ccccc1 ZINC000533578672 1007882433 /nfs/dbraw/zinc/88/24/33/1007882433.db2.gz GVLCJEJTLNGUFM-IRLDBZIGSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CCC[NH+](C(C)(C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000533578672 1007882442 /nfs/dbraw/zinc/88/24/42/1007882442.db2.gz GVLCJEJTLNGUFM-IRLDBZIGSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CCC[NH+](C(C)(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000533578672 1007882452 /nfs/dbraw/zinc/88/24/52/1007882452.db2.gz GVLCJEJTLNGUFM-IRLDBZIGSA-N 2 1 400.611 3.803 20 0 HHADMP CCC1(CNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000533617672 1007919226 /nfs/dbraw/zinc/91/92/26/1007919226.db2.gz UMUHPJBLYXNEKY-NRFANRHFSA-N 2 1 412.578 3.874 20 0 HHADMP C[C@H](C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000517717978 1007929220 /nfs/dbraw/zinc/92/92/20/1007929220.db2.gz QONAVWLDJDPODB-AUSIDOKSSA-N 2 1 419.569 3.538 20 0 HHADMP C[C@H](C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000517717978 1007929226 /nfs/dbraw/zinc/92/92/26/1007929226.db2.gz QONAVWLDJDPODB-AUSIDOKSSA-N 2 1 419.569 3.538 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539615464 1007930449 /nfs/dbraw/zinc/93/04/49/1007930449.db2.gz FUNGEHBLXXUMOQ-LEWJYISDSA-N 2 1 422.976 3.929 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539615464 1007930453 /nfs/dbraw/zinc/93/04/53/1007930453.db2.gz FUNGEHBLXXUMOQ-LEWJYISDSA-N 2 1 422.976 3.929 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H](Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)[C@@H](C)C1 ZINC000539646109 1007963305 /nfs/dbraw/zinc/96/33/05/1007963305.db2.gz XGIXLCAWFGDVKY-XUZZJYLKSA-N 2 1 402.627 3.766 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1F ZINC000536096809 1008120062 /nfs/dbraw/zinc/12/00/62/1008120062.db2.gz VRHMAUGXWJPKPK-RBBKRZOGSA-N 2 1 407.493 3.564 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1F ZINC000536096809 1008120070 /nfs/dbraw/zinc/12/00/70/1008120070.db2.gz VRHMAUGXWJPKPK-RBBKRZOGSA-N 2 1 407.493 3.564 20 0 HHADMP CCOc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1OCC(C)C ZINC000539825194 1008120271 /nfs/dbraw/zinc/12/02/71/1008120271.db2.gz NTAVMYWKJWRSPA-IFMALSPDSA-N 2 1 403.611 3.578 20 0 HHADMP CCOc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1OCC(C)C ZINC000539825194 1008120275 /nfs/dbraw/zinc/12/02/75/1008120275.db2.gz NTAVMYWKJWRSPA-IFMALSPDSA-N 2 1 403.611 3.578 20 0 HHADMP Cc1nc(COc2ccc(C[N@@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)cc2)no1 ZINC000539829354 1008123391 /nfs/dbraw/zinc/12/33/91/1008123391.db2.gz SZHYTOWQSCQANJ-JOCHJYFZSA-N 2 1 406.530 3.911 20 0 HHADMP Cc1nc(COc2ccc(C[NH+](C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)no1 ZINC000539829354 1008123396 /nfs/dbraw/zinc/12/33/96/1008123396.db2.gz SZHYTOWQSCQANJ-JOCHJYFZSA-N 2 1 406.530 3.911 20 0 HHADMP Cc1nc(COc2ccc(C[NH+](C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)no1 ZINC000539829354 1008123399 /nfs/dbraw/zinc/12/33/99/1008123399.db2.gz SZHYTOWQSCQANJ-JOCHJYFZSA-N 2 1 406.530 3.911 20 0 HHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000539896974 1008170566 /nfs/dbraw/zinc/17/05/66/1008170566.db2.gz SXLMJMSTKDGRIT-WWPVKYPJSA-N 2 1 416.997 3.885 20 0 HHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000539896974 1008170568 /nfs/dbraw/zinc/17/05/68/1008170568.db2.gz SXLMJMSTKDGRIT-WWPVKYPJSA-N 2 1 416.997 3.885 20 0 HHADMP C[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)[C@@H]1c1ccccc1 ZINC000533927962 1008211060 /nfs/dbraw/zinc/21/10/60/1008211060.db2.gz KOVFZFXPXSJRNB-PKTZIBPZSA-N 2 1 410.537 3.535 20 0 HHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2c(F)cccc2N2CCCC2)c2cccs2)CC1 ZINC000518249555 1008225478 /nfs/dbraw/zinc/22/54/78/1008225478.db2.gz OPRRGRPTQVLXJR-OAQYLSRUSA-N 2 1 402.583 3.566 20 0 HHADMP COc1cccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)[NH+]2CCCC2)c1 ZINC000533955807 1008231934 /nfs/dbraw/zinc/23/19/34/1008231934.db2.gz SPJBNXJAAXXMKO-SGNDLWITSA-N 2 1 422.573 3.577 20 0 HHADMP Cc1cccc(NC(=O)NC(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000540043936 1008253443 /nfs/dbraw/zinc/25/34/43/1008253443.db2.gz MRXROZDJBBBZGF-UHFFFAOYSA-N 2 1 423.561 3.585 20 0 HHADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)CC1)CC1CC1 ZINC000540047562 1008257229 /nfs/dbraw/zinc/25/72/29/1008257229.db2.gz PZDRBSAGZDWMMQ-SFHVURJKSA-N 2 1 414.594 3.806 20 0 HHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1)CC1CC1 ZINC000540049739 1008258734 /nfs/dbraw/zinc/25/87/34/1008258734.db2.gz SMHQKJFQHJNHON-LJQANCHMSA-N 2 1 403.533 3.621 20 0 HHADMP C[C@H](c1ccc(NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000518385343 1008283918 /nfs/dbraw/zinc/28/39/18/1008283918.db2.gz RWROMZKVBBHCHZ-VGOFRKELSA-N 2 1 414.525 3.643 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)[C@H](C)C1 ZINC000540166351 1008318851 /nfs/dbraw/zinc/31/88/51/1008318851.db2.gz BSIAYKVNKGJMAY-VQIMIIECSA-N 2 1 406.958 3.659 20 0 HHADMP COc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)C2=O)cc1 ZINC000540184994 1008327067 /nfs/dbraw/zinc/32/70/67/1008327067.db2.gz YQWRFQHVOBCSPL-HXOBKFHXSA-N 2 1 404.514 3.641 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1F ZINC000518522897 1008337133 /nfs/dbraw/zinc/33/71/33/1008337133.db2.gz QVUVKSIVYOUYNZ-UHFFFAOYSA-N 2 1 421.520 3.915 20 0 HHADMP COc1ccc([C@H](C)[NH2+]CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000540333212 1008384527 /nfs/dbraw/zinc/38/45/27/1008384527.db2.gz LNDLWERJWBWKER-JTSKRJEESA-N 2 1 415.965 3.953 20 0 HHADMP COC[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(F)c(F)c1 ZINC000540405629 1008418974 /nfs/dbraw/zinc/41/89/74/1008418974.db2.gz CSLIHPZCDXRICR-PKTZIBPZSA-N 2 1 403.517 3.621 20 0 HHADMP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000518835809 1008439632 /nfs/dbraw/zinc/43/96/32/1008439632.db2.gz NCRBPJNONLGJGW-PWRODBHTSA-N 2 1 404.986 3.621 20 0 HHADMP O=C(NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000518835809 1008439634 /nfs/dbraw/zinc/43/96/34/1008439634.db2.gz NCRBPJNONLGJGW-PWRODBHTSA-N 2 1 404.986 3.621 20 0 HHADMP O=C(NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000518835809 1008439637 /nfs/dbraw/zinc/43/96/37/1008439637.db2.gz NCRBPJNONLGJGW-PWRODBHTSA-N 2 1 404.986 3.621 20 0 HHADMP FC(F)Oc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1Br ZINC000540507452 1008460073 /nfs/dbraw/zinc/46/00/73/1008460073.db2.gz VRUPYRYWUXZXRD-UHFFFAOYSA-N 2 1 419.310 3.595 20 0 HHADMP CC(=O)c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1 ZINC000548950902 1008536626 /nfs/dbraw/zinc/53/66/26/1008536626.db2.gz ZHFDGAMRJFTOOG-DFIYOIEZSA-N 2 1 424.585 3.897 20 0 HHADMP CC(C)[N@H+](Cc1ccc(NC(=O)NCc2ccc(N)nc2)cc1)C[C@@H]1CCCCO1 ZINC000548984621 1008562293 /nfs/dbraw/zinc/56/22/93/1008562293.db2.gz TWXYOOOAQWBSIR-NRFANRHFSA-N 2 1 411.550 3.765 20 0 HHADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000545457843 1008569707 /nfs/dbraw/zinc/56/97/07/1008569707.db2.gz MRFZIVHQWVKVQD-INIZCTEOSA-N 2 1 410.400 3.682 20 0 HHADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000545457843 1008569719 /nfs/dbraw/zinc/56/97/19/1008569719.db2.gz MRFZIVHQWVKVQD-INIZCTEOSA-N 2 1 410.400 3.682 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000549036257 1008604559 /nfs/dbraw/zinc/60/45/59/1008604559.db2.gz OYKITXJBJCEVSV-UGKGYDQZSA-N 2 1 401.595 3.503 20 0 HHADMP CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000549039904 1008607931 /nfs/dbraw/zinc/60/79/31/1008607931.db2.gz SEESCIXNUQDTDP-JWQCQUIFSA-N 2 1 421.585 3.692 20 0 HHADMP CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000549039904 1008607933 /nfs/dbraw/zinc/60/79/33/1008607933.db2.gz SEESCIXNUQDTDP-JWQCQUIFSA-N 2 1 421.585 3.692 20 0 HHADMP CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2cccc(C)c2)CC1 ZINC000549087862 1008652023 /nfs/dbraw/zinc/65/20/23/1008652023.db2.gz MVIFEKQFASDDRA-RPBOFIJWSA-N 2 1 405.586 3.811 20 0 HHADMP CSc1ccccc1C[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000543081182 1008657898 /nfs/dbraw/zinc/65/78/98/1008657898.db2.gz BTNLSFPTYBJGJH-GCJKJVERSA-N 2 1 411.615 3.827 20 0 HHADMP COc1ccc([C@H](C)[N@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000549168519 1008741686 /nfs/dbraw/zinc/74/16/86/1008741686.db2.gz NZWXSHJWHDRZCW-FQEVSTJZSA-N 2 1 409.574 3.777 20 0 HHADMP COc1ccc([C@H](C)[N@@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000549168519 1008741695 /nfs/dbraw/zinc/74/16/95/1008741695.db2.gz NZWXSHJWHDRZCW-FQEVSTJZSA-N 2 1 409.574 3.777 20 0 HHADMP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000519415157 1008796674 /nfs/dbraw/zinc/79/66/74/1008796674.db2.gz CHYKGGZZCDWZKV-UHFFFAOYSA-N 2 1 417.597 3.948 20 0 HHADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)[NH+]1CCc2sccc2C1 ZINC000519420138 1008800485 /nfs/dbraw/zinc/80/04/85/1008800485.db2.gz OJEWEZWNQZPTMR-PXNSSMCTSA-N 2 1 415.578 3.662 20 0 HHADMP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[NH+]1CCc2sccc2C1 ZINC000519420138 1008800504 /nfs/dbraw/zinc/80/05/04/1008800504.db2.gz OJEWEZWNQZPTMR-PXNSSMCTSA-N 2 1 415.578 3.662 20 0 HHADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1)[N@@H+]1CCc2sccc2C1 ZINC000519420138 1008800517 /nfs/dbraw/zinc/80/05/17/1008800517.db2.gz OJEWEZWNQZPTMR-PXNSSMCTSA-N 2 1 415.578 3.662 20 0 HHADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1)[N@H+]1CCc2sccc2C1 ZINC000519420138 1008800528 /nfs/dbraw/zinc/80/05/28/1008800528.db2.gz OJEWEZWNQZPTMR-PXNSSMCTSA-N 2 1 415.578 3.662 20 0 HHADMP CC[NH+]1CCC(n2nccc2NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000543290252 1008863984 /nfs/dbraw/zinc/86/39/84/1008863984.db2.gz WXIJCCCNUFWVBX-LJQANCHMSA-N 2 1 424.593 3.985 20 0 HHADMP Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000545868449 1008957115 /nfs/dbraw/zinc/95/71/15/1008957115.db2.gz MZGWSKGSZJFJCF-XIKOKIGWSA-N 2 1 410.381 3.598 20 0 HHADMP Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000545868449 1008957136 /nfs/dbraw/zinc/95/71/36/1008957136.db2.gz MZGWSKGSZJFJCF-XIKOKIGWSA-N 2 1 410.381 3.598 20 0 HHADMP COc1cc(N[C@H]2CCC[N@@H+](Cc3cn(-c4cc[nH+]cc4)nc3C)C2)cc(OC)c1 ZINC000543396373 1008987816 /nfs/dbraw/zinc/98/78/16/1008987816.db2.gz RHTKZJMUAODSKY-IBGZPJMESA-N 2 1 407.518 3.669 20 0 HHADMP O=S(=O)(CCC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000545930635 1009003083 /nfs/dbraw/zinc/00/30/83/1009003083.db2.gz SQMDTGCBXYZYIJ-UHFFFAOYSA-N 2 1 412.599 3.839 20 0 HHADMP O=S(=O)(CCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000545930635 1009003099 /nfs/dbraw/zinc/00/30/99/1009003099.db2.gz SQMDTGCBXYZYIJ-UHFFFAOYSA-N 2 1 412.599 3.839 20 0 HHADMP C/C=C\c1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(OC)c1 ZINC000543463362 1009050548 /nfs/dbraw/zinc/05/05/48/1009050548.db2.gz KUBWUUJQIOGSQW-KQUUTEEUSA-N 2 1 402.579 3.711 20 0 HHADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000546049787 1009074231 /nfs/dbraw/zinc/07/42/31/1009074231.db2.gz JMVKMKWTUGVWHD-UHFFFAOYSA-N 2 1 404.352 3.748 20 0 HHADMP Cc1nc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(-c2ccccc2)o1 ZINC000546149200 1009179761 /nfs/dbraw/zinc/17/97/61/1009179761.db2.gz GAEUSLUVWIKMSL-UHFFFAOYSA-N 2 1 424.589 3.918 20 0 HHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000549584423 1009210606 /nfs/dbraw/zinc/21/06/06/1009210606.db2.gz LOPLMEHEDHDECC-QHCPKHFHSA-N 2 1 412.622 3.947 20 0 HHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000549584423 1009210618 /nfs/dbraw/zinc/21/06/18/1009210618.db2.gz LOPLMEHEDHDECC-QHCPKHFHSA-N 2 1 412.622 3.947 20 0 HHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000549584423 1009210631 /nfs/dbraw/zinc/21/06/31/1009210631.db2.gz LOPLMEHEDHDECC-QHCPKHFHSA-N 2 1 412.622 3.947 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2N2CCCC2=O)cc1 ZINC000543812765 1009374780 /nfs/dbraw/zinc/37/47/80/1009374780.db2.gz BHGGGGMQMPGWBE-QGZVFWFLSA-N 2 1 417.513 3.597 20 0 HHADMP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)C1 ZINC000520312764 1009438960 /nfs/dbraw/zinc/43/89/60/1009438960.db2.gz RZUSOWOJXHQDIE-QGZVFWFLSA-N 2 1 403.979 3.664 20 0 HHADMP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)C1 ZINC000520312764 1009438964 /nfs/dbraw/zinc/43/89/64/1009438964.db2.gz RZUSOWOJXHQDIE-QGZVFWFLSA-N 2 1 403.979 3.664 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCCCCC[NH+]3CCCCC3)cc2)C[C@H](C)O1 ZINC000520337504 1009471820 /nfs/dbraw/zinc/47/18/20/1009471820.db2.gz YCMRQPUYJSJMKZ-OYRHEFFESA-N 2 1 401.595 3.682 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCCCCC[NH+]3CCCCC3)cc2)C[C@H](C)O1 ZINC000520337504 1009471826 /nfs/dbraw/zinc/47/18/26/1009471826.db2.gz YCMRQPUYJSJMKZ-OYRHEFFESA-N 2 1 401.595 3.682 20 0 HHADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[NH+](CCC34CC5CC(CC(C5)C3)C4)CC1)C2 ZINC000520385866 1009523085 /nfs/dbraw/zinc/52/30/85/1009523085.db2.gz DMYRZJGLJZHKEH-APNVUFTPSA-N 2 1 410.606 3.505 20 0 HHADMP C[C@H](NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1NC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000544041470 1009644255 /nfs/dbraw/zinc/64/42/55/1009644255.db2.gz NCZUXFBBXUZSGW-YHDCXSKOSA-N 2 1 414.594 3.548 20 0 HHADMP C[C@H](NC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)c1ccccc1NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000544041470 1009644264 /nfs/dbraw/zinc/64/42/64/1009644264.db2.gz NCZUXFBBXUZSGW-YHDCXSKOSA-N 2 1 414.594 3.548 20 0 HHADMP C[C@H](NC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)c1ccccc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000544041470 1009644271 /nfs/dbraw/zinc/64/42/71/1009644271.db2.gz NCZUXFBBXUZSGW-YHDCXSKOSA-N 2 1 414.594 3.548 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000546659939 1009659289 /nfs/dbraw/zinc/65/92/89/1009659289.db2.gz DPYPQDPBFDJWNM-MOPGFXCFSA-N 2 1 405.542 3.876 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000546660818 1009660165 /nfs/dbraw/zinc/66/01/65/1009660165.db2.gz OWPHEPNGFFKARH-SFHLNBCPSA-N 2 1 405.542 3.704 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000546660818 1009660171 /nfs/dbraw/zinc/66/01/71/1009660171.db2.gz OWPHEPNGFFKARH-SFHLNBCPSA-N 2 1 405.542 3.704 20 0 HHADMP C[C@H]([NH2+][C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544070215 1009673271 /nfs/dbraw/zinc/67/32/71/1009673271.db2.gz LNLRFRXLNBJEML-LRQRDZAKSA-N 2 1 419.491 3.602 20 0 HHADMP C[C@H]([NH2+][C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544070215 1009673279 /nfs/dbraw/zinc/67/32/79/1009673279.db2.gz LNLRFRXLNBJEML-LRQRDZAKSA-N 2 1 419.491 3.602 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000546715886 1009697093 /nfs/dbraw/zinc/69/70/93/1009697093.db2.gz DTTXHFHKAYSTFL-VQTJNVASSA-N 2 1 420.479 3.794 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000546715886 1009697096 /nfs/dbraw/zinc/69/70/96/1009697096.db2.gz DTTXHFHKAYSTFL-VQTJNVASSA-N 2 1 420.479 3.794 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000546718729 1009698923 /nfs/dbraw/zinc/69/89/23/1009698923.db2.gz RQAUKLGVGCTCOT-HSZRJFAPSA-N 2 1 408.590 3.879 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCCc2cccc(C(F)(F)F)c2)CC1 ZINC000546725779 1009702170 /nfs/dbraw/zinc/70/21/70/1009702170.db2.gz SATBBCUUPVXQHP-UHFFFAOYSA-N 2 1 406.452 3.814 20 0 HHADMP CC(C)[N@H+](C)CCNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000544114531 1009723166 /nfs/dbraw/zinc/72/31/66/1009723166.db2.gz PSNCCGICMXYMEK-UHFFFAOYSA-N 2 1 401.382 3.597 20 0 HHADMP CC(C)[N@@H+](C)CCNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000544114531 1009723179 /nfs/dbraw/zinc/72/31/79/1009723179.db2.gz PSNCCGICMXYMEK-UHFFFAOYSA-N 2 1 401.382 3.597 20 0 HHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C[C@H](C)O1 ZINC000544173214 1009777232 /nfs/dbraw/zinc/77/72/32/1009777232.db2.gz KAEVOUASIWJZMD-GASCZTMLSA-N 2 1 412.365 3.553 20 0 HHADMP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c(OC)c1 ZINC000550263046 1009814729 /nfs/dbraw/zinc/81/47/29/1009814729.db2.gz UCBPDJMDSMDXMN-JOCHJYFZSA-N 2 1 410.558 3.722 20 0 HHADMP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c(OC)c1 ZINC000550263046 1009814740 /nfs/dbraw/zinc/81/47/40/1009814740.db2.gz UCBPDJMDSMDXMN-JOCHJYFZSA-N 2 1 410.558 3.722 20 0 HHADMP C[C@H](CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000520842988 1009898352 /nfs/dbraw/zinc/89/83/52/1009898352.db2.gz BJXHLQHFNWGJDI-YOSAUDMPSA-N 2 1 406.574 3.568 20 0 HHADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000520842988 1009898369 /nfs/dbraw/zinc/89/83/69/1009898369.db2.gz BJXHLQHFNWGJDI-YOSAUDMPSA-N 2 1 406.574 3.568 20 0 HHADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000520842988 1009898387 /nfs/dbraw/zinc/89/83/87/1009898387.db2.gz BJXHLQHFNWGJDI-YOSAUDMPSA-N 2 1 406.574 3.568 20 0 HHADMP C[C@H](CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000544332677 1009956291 /nfs/dbraw/zinc/95/62/91/1009956291.db2.gz VOZDRYUSBPYBRT-YFNKSVMNSA-N 2 1 412.622 3.947 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000520910153 1009964726 /nfs/dbraw/zinc/96/47/26/1009964726.db2.gz ZRFSMBHIWYKOEV-HSZRJFAPSA-N 2 1 400.611 3.710 20 0 HHADMP Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544420228 1010037556 /nfs/dbraw/zinc/03/75/56/1010037556.db2.gz YOZCJKWADQJITA-RXVVDRJESA-N 2 1 423.605 3.979 20 0 HHADMP Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544420228 1010037570 /nfs/dbraw/zinc/03/75/70/1010037570.db2.gz YOZCJKWADQJITA-RXVVDRJESA-N 2 1 423.605 3.979 20 0 HHADMP CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000544420415 1010038849 /nfs/dbraw/zinc/03/88/49/1010038849.db2.gz DOHREKQVKVQGQF-WSTZPKSXSA-N 2 1 415.578 3.821 20 0 HHADMP CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000544420415 1010038866 /nfs/dbraw/zinc/03/88/66/1010038866.db2.gz DOHREKQVKVQGQF-WSTZPKSXSA-N 2 1 415.578 3.821 20 0 HHADMP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000550622097 1010069759 /nfs/dbraw/zinc/06/97/59/1010069759.db2.gz JCWXSNIZKCPIOY-FYYLOGMGSA-N 2 1 415.603 3.641 20 0 HHADMP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000550622097 1010069772 /nfs/dbraw/zinc/06/97/72/1010069772.db2.gz JCWXSNIZKCPIOY-FYYLOGMGSA-N 2 1 415.603 3.641 20 0 HHADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C[C@H](C)O1 ZINC000521186922 1010218626 /nfs/dbraw/zinc/21/86/26/1010218626.db2.gz JYWQAFSJPQRBBF-PMACEKPBSA-N 2 1 416.610 3.724 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)cc1 ZINC000547399278 1010289161 /nfs/dbraw/zinc/28/91/61/1010289161.db2.gz UNHJYXKBEPRASS-GOSISDBHSA-N 2 1 404.514 3.504 20 0 HHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CC3CCC(C(F)(F)F)CC3)CC2)C[C@@H](C)O1 ZINC000547441747 1010307004 /nfs/dbraw/zinc/30/70/04/1010307004.db2.gz KVOAXANMJVXUPK-YYZRRKBYSA-N 2 1 406.533 3.945 20 0 HHADMP COc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000551064693 1010344019 /nfs/dbraw/zinc/34/40/19/1010344019.db2.gz DRCNTROMSVYNHC-DEOSSOPVSA-N 2 1 421.585 3.921 20 0 HHADMP COc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000551064693 1010344035 /nfs/dbraw/zinc/34/40/35/1010344035.db2.gz DRCNTROMSVYNHC-DEOSSOPVSA-N 2 1 421.585 3.921 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000521624088 1010509784 /nfs/dbraw/zinc/50/97/84/1010509784.db2.gz VHAQWPAQHLCQSX-IBGZPJMESA-N 2 1 407.002 3.582 20 0 HHADMP CC[N@@H+](Cc1ccc(-c2nc(-c3cc(N4CC[NH+](C)CC4)ccn3)no2)cc1)C1CC1 ZINC000545095881 1010612126 /nfs/dbraw/zinc/61/21/26/1010612126.db2.gz YOYKJNMTVVYVRQ-UHFFFAOYSA-N 2 1 418.545 3.535 20 0 HHADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000545159646 1010657512 /nfs/dbraw/zinc/65/75/12/1010657512.db2.gz VNBLLRLKFPEDHJ-YWZLYKJASA-N 2 1 405.336 3.959 20 0 HHADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000545159646 1010657518 /nfs/dbraw/zinc/65/75/18/1010657518.db2.gz VNBLLRLKFPEDHJ-YWZLYKJASA-N 2 1 405.336 3.959 20 0 HHADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)CC3 ZINC000545192021 1010678941 /nfs/dbraw/zinc/67/89/41/1010678941.db2.gz VAXFUJWEOSISOW-SFTDATJTSA-N 2 1 419.569 3.780 20 0 HHADMP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000545387619 1010768394 /nfs/dbraw/zinc/76/83/94/1010768394.db2.gz ZKXOZWMGFJKNMT-OXQOHEQNSA-N 2 1 420.479 3.979 20 0 HHADMP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000545387617 1010768604 /nfs/dbraw/zinc/76/86/04/1010768604.db2.gz ZKXOZWMGFJKNMT-JXFKEZNVSA-N 2 1 420.479 3.979 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)c1 ZINC000522073597 1010793393 /nfs/dbraw/zinc/79/33/93/1010793393.db2.gz RUINMGOIRJNNRR-UHFFFAOYSA-N 2 1 423.605 3.910 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC000522102501 1010814091 /nfs/dbraw/zinc/81/40/91/1010814091.db2.gz OPAMOERKYBZHPO-CWAQXLGLSA-N 2 1 412.622 3.944 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000522102501 1010814098 /nfs/dbraw/zinc/81/40/98/1010814098.db2.gz OPAMOERKYBZHPO-CWAQXLGLSA-N 2 1 412.622 3.944 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000522102501 1010814104 /nfs/dbraw/zinc/81/41/04/1010814104.db2.gz OPAMOERKYBZHPO-CWAQXLGLSA-N 2 1 412.622 3.944 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)CC1 ZINC000522467076 1011030517 /nfs/dbraw/zinc/03/05/17/1011030517.db2.gz WMWBSMRZARXCAV-OAQYLSRUSA-N 2 1 404.599 3.878 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522763793 1011202614 /nfs/dbraw/zinc/20/26/14/1011202614.db2.gz SYZMLBPWIBBKJS-IMFGXOCKSA-N 2 1 424.511 3.624 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522763793 1011202618 /nfs/dbraw/zinc/20/26/18/1011202618.db2.gz SYZMLBPWIBBKJS-IMFGXOCKSA-N 2 1 424.511 3.624 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522763793 1011202623 /nfs/dbraw/zinc/20/26/23/1011202623.db2.gz SYZMLBPWIBBKJS-IMFGXOCKSA-N 2 1 424.511 3.624 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCC[NH+](Cc4cccnc4)C3)cc2)C1 ZINC000522829282 1011265545 /nfs/dbraw/zinc/26/55/45/1011265545.db2.gz HGJLRLRKLZNVCW-SQJMNOBHSA-N 2 1 420.601 3.842 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)cc2)C1 ZINC000522829282 1011265561 /nfs/dbraw/zinc/26/55/61/1011265561.db2.gz HGJLRLRKLZNVCW-SQJMNOBHSA-N 2 1 420.601 3.842 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)cc2)C1 ZINC000522829282 1011265578 /nfs/dbraw/zinc/26/55/78/1011265578.db2.gz HGJLRLRKLZNVCW-SQJMNOBHSA-N 2 1 420.601 3.842 20 0 HHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)cc1 ZINC000522830470 1011266001 /nfs/dbraw/zinc/26/60/01/1011266001.db2.gz WPUAUFSFDLGKCP-OFVILXPXSA-N 2 1 420.601 3.984 20 0 HHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000522830470 1011266014 /nfs/dbraw/zinc/26/60/14/1011266014.db2.gz WPUAUFSFDLGKCP-OFVILXPXSA-N 2 1 420.601 3.984 20 0 HHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000522830470 1011266028 /nfs/dbraw/zinc/26/60/28/1011266028.db2.gz WPUAUFSFDLGKCP-OFVILXPXSA-N 2 1 420.601 3.984 20 0 HHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000540921015 1011588138 /nfs/dbraw/zinc/58/81/38/1011588138.db2.gz IIZVPNVIAKHNIZ-FCEUIQTBSA-N 2 1 409.578 3.530 20 0 HHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000540921015 1011588152 /nfs/dbraw/zinc/58/81/52/1011588152.db2.gz IIZVPNVIAKHNIZ-FCEUIQTBSA-N 2 1 409.578 3.530 20 0 HHADMP CCCN(C(=O)NC[C@@H](C)C[NH+]1CCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000523134272 1011603375 /nfs/dbraw/zinc/60/33/75/1011603375.db2.gz WQUXBZLCXLTWNG-FYYLOGMGSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cnn(Cc2ccccc2)c1 ZINC000540991195 1011624901 /nfs/dbraw/zinc/62/49/01/1011624901.db2.gz DVEJJDSQVLEDFR-NBGIEHNGSA-N 2 1 404.558 3.739 20 0 HHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000540991772 1011625550 /nfs/dbraw/zinc/62/55/50/1011625550.db2.gz KMKKEUCSBJFLKA-RXVVDRJESA-N 2 1 406.448 3.929 20 0 HHADMP COc1cc(F)c([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1OC ZINC000540992396 1011626180 /nfs/dbraw/zinc/62/61/80/1011626180.db2.gz WLGMVPAKHBBYGG-QFBILLFUSA-N 2 1 402.510 3.650 20 0 HHADMP COc1cc(F)c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1OC ZINC000540992396 1011626194 /nfs/dbraw/zinc/62/61/94/1011626194.db2.gz WLGMVPAKHBBYGG-QFBILLFUSA-N 2 1 402.510 3.650 20 0 HHADMP CCOC(=O)c1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000541023093 1011658302 /nfs/dbraw/zinc/65/83/02/1011658302.db2.gz MAYSDOJZXQREEG-MRXNPFEDSA-N 2 1 406.486 3.647 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000541027465 1011662425 /nfs/dbraw/zinc/66/24/25/1011662425.db2.gz YDMSGKUFMNJKLK-MRXNPFEDSA-N 2 1 401.507 3.834 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000541027127 1011662979 /nfs/dbraw/zinc/66/29/79/1011662979.db2.gz NQWOEPIIKRIYOL-INIZCTEOSA-N 2 1 406.486 3.631 20 0 HHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC1)CC1CC1 ZINC000536590803 1011753289 /nfs/dbraw/zinc/75/32/89/1011753289.db2.gz PEKZLJUATNLORV-HSZRJFAPSA-N 2 1 418.601 3.972 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000536593945 1011756143 /nfs/dbraw/zinc/75/61/43/1011756143.db2.gz URZYSUHEJUVBAL-OAQYLSRUSA-N 2 1 415.626 3.842 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000523300781 1011779298 /nfs/dbraw/zinc/77/92/98/1011779298.db2.gz FEICQNAUDKRGJZ-FQEVSTJZSA-N 2 1 406.640 3.724 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000523300782 1011779936 /nfs/dbraw/zinc/77/99/36/1011779936.db2.gz FEICQNAUDKRGJZ-HXUWFJFHSA-N 2 1 406.640 3.724 20 0 HHADMP CN(c1ccccc1C[N@H+](C)[C@H]1CCN(c2ccccc2F)C1=O)C1CC[NH+](C)CC1 ZINC000536676709 1011837726 /nfs/dbraw/zinc/83/77/26/1011837726.db2.gz LTUHAOWFAQIQBZ-DEOSSOPVSA-N 2 1 424.564 3.593 20 0 HHADMP CN(c1ccccc1C[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O)C1CC[NH+](C)CC1 ZINC000536676709 1011837740 /nfs/dbraw/zinc/83/77/40/1011837740.db2.gz LTUHAOWFAQIQBZ-DEOSSOPVSA-N 2 1 424.564 3.593 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCC[C@H]2CO)cc1)C1CC1 ZINC000541169852 1011842390 /nfs/dbraw/zinc/84/23/90/1011842390.db2.gz AXVQJPGAZNULQC-VWLOTQADSA-N 2 1 421.585 3.558 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1)C1CC1 ZINC000541169852 1011842403 /nfs/dbraw/zinc/84/24/03/1011842403.db2.gz AXVQJPGAZNULQC-VWLOTQADSA-N 2 1 421.585 3.558 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1)C1CC1 ZINC000541169852 1011842417 /nfs/dbraw/zinc/84/24/17/1011842417.db2.gz AXVQJPGAZNULQC-VWLOTQADSA-N 2 1 421.585 3.558 20 0 HHADMP CCOc1ccc(CN(C)C(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000536707676 1011877633 /nfs/dbraw/zinc/87/76/33/1011877633.db2.gz JUBIHOYEBXVMKL-UHFFFAOYSA-N 2 1 424.589 3.677 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCc1cccc(Cl)c1 ZINC000536724362 1011896328 /nfs/dbraw/zinc/89/63/28/1011896328.db2.gz HWZGBYKKSZXLJB-UHFFFAOYSA-N 2 1 400.954 3.590 20 0 HHADMP Cc1ccc(NC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000523445357 1011940582 /nfs/dbraw/zinc/94/05/82/1011940582.db2.gz GXWPMZSHZPIYDH-TZIWHRDSSA-N 2 1 410.562 3.892 20 0 HHADMP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000536830921 1012059797 /nfs/dbraw/zinc/05/97/97/1012059797.db2.gz FRPKHQBBBBNCLC-PMACEKPBSA-N 2 1 409.640 3.736 20 0 HHADMP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000552045266 1012064238 /nfs/dbraw/zinc/06/42/38/1012064238.db2.gz AZLQRFZRKLLQEB-VNSJUHMKSA-N 3 1 412.666 3.540 20 0 HHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]C4CCN(c5cccnn5)CC4)[C@H]3C2)cc1 ZINC000552057387 1012074744 /nfs/dbraw/zinc/07/47/44/1012074744.db2.gz RQCAQRCPTFALRR-OEMFJLHTSA-N 2 1 405.590 3.726 20 0 HHADMP COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c(C)c1OC ZINC000552065570 1012083171 /nfs/dbraw/zinc/08/31/71/1012083171.db2.gz FUMWDRWNXKIXKT-MBSDFSHPSA-N 2 1 412.574 3.690 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(N[C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000552071112 1012088576 /nfs/dbraw/zinc/08/85/76/1012088576.db2.gz PWDMMXZFFUSAJR-QWJIHBKKSA-N 2 1 402.558 3.923 20 0 HHADMP C[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc(F)c(N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000552071112 1012088599 /nfs/dbraw/zinc/08/85/99/1012088599.db2.gz PWDMMXZFFUSAJR-QWJIHBKKSA-N 2 1 402.558 3.923 20 0 HHADMP C[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc(F)c(N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000552071112 1012088604 /nfs/dbraw/zinc/08/86/04/1012088604.db2.gz PWDMMXZFFUSAJR-QWJIHBKKSA-N 2 1 402.558 3.923 20 0 HHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000552099229 1012116247 /nfs/dbraw/zinc/11/62/47/1012116247.db2.gz BCEYCPUQMGCJRJ-IBGZPJMESA-N 2 1 422.411 3.826 20 0 HHADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000552099229 1012116257 /nfs/dbraw/zinc/11/62/57/1012116257.db2.gz BCEYCPUQMGCJRJ-IBGZPJMESA-N 2 1 422.411 3.826 20 0 HHADMP CC(C)[NH2+]C1CCN(C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000523600897 1012166775 /nfs/dbraw/zinc/16/67/75/1012166775.db2.gz KQTMLTRXGYAAKX-BGYRXZFFSA-N 2 1 400.611 3.837 20 0 HHADMP CN(C(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000523605088 1012173065 /nfs/dbraw/zinc/17/30/65/1012173065.db2.gz NRPBZPZITCECOE-FCHUYYIVSA-N 2 1 424.614 3.726 20 0 HHADMP CN(C(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000523605088 1012173081 /nfs/dbraw/zinc/17/30/81/1012173081.db2.gz NRPBZPZITCECOE-FCHUYYIVSA-N 2 1 424.614 3.726 20 0 HHADMP CN(C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[C@H]1CC[NH+](C2CC2)C1 ZINC000523605088 1012173090 /nfs/dbraw/zinc/17/30/90/1012173090.db2.gz NRPBZPZITCECOE-FCHUYYIVSA-N 2 1 424.614 3.726 20 0 HHADMP CN(C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[C@H]1CC[NH+](C2CC2)C1 ZINC000523605088 1012173106 /nfs/dbraw/zinc/17/31/06/1012173106.db2.gz NRPBZPZITCECOE-FCHUYYIVSA-N 2 1 424.614 3.726 20 0 HHADMP COc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523612615 1012183910 /nfs/dbraw/zinc/18/39/10/1012183910.db2.gz JTJXELDCVFCUGK-HSZRJFAPSA-N 2 1 407.558 3.744 20 0 HHADMP COc1ccccc1[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523612615 1012183928 /nfs/dbraw/zinc/18/39/28/1012183928.db2.gz JTJXELDCVFCUGK-HSZRJFAPSA-N 2 1 407.558 3.744 20 0 HHADMP CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000552275017 1012289382 /nfs/dbraw/zinc/28/93/82/1012289382.db2.gz IOXGASYFLDWACK-ISBRNDMJSA-N 2 1 404.620 3.623 20 0 HHADMP CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000552275017 1012289392 /nfs/dbraw/zinc/28/93/92/1012289392.db2.gz IOXGASYFLDWACK-ISBRNDMJSA-N 2 1 404.620 3.623 20 0 HHADMP C[C@H]1C[C@H]1c1ccc(C[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)o1 ZINC000552278084 1012290777 /nfs/dbraw/zinc/29/07/77/1012290777.db2.gz TURMUWLKRLXYCI-WMZHIEFXSA-N 2 1 409.574 3.863 20 0 HHADMP C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)o1 ZINC000552278077 1012291262 /nfs/dbraw/zinc/29/12/62/1012291262.db2.gz TURMUWLKRLXYCI-AUSIDOKSSA-N 2 1 409.574 3.863 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1nc2ccccc2n1C ZINC000537000508 1012302773 /nfs/dbraw/zinc/30/27/73/1012302773.db2.gz HXSLSLCFHXINLJ-IBGZPJMESA-N 2 1 422.573 3.914 20 0 HHADMP C[C@H](CCNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)[NH+]1CCCCC1 ZINC000541522685 1012304334 /nfs/dbraw/zinc/30/43/34/1012304334.db2.gz XJXATAOCXPQTDA-RCZVLFRGSA-N 2 1 412.622 3.949 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@H]2CCC(=O)Nc3ccccc32)c1)C1CCOCC1 ZINC000541542325 1012327223 /nfs/dbraw/zinc/32/72/23/1012327223.db2.gz RJOXAOXUCCPUQQ-QHCPKHFHSA-N 2 1 423.557 3.739 20 0 HHADMP Brc1cnn(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000552332472 1012340584 /nfs/dbraw/zinc/34/05/84/1012340584.db2.gz SYUMKGLYQHJMPI-YZGWKJHDSA-N 2 1 403.368 3.536 20 0 HHADMP CC1(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000541574569 1012364905 /nfs/dbraw/zinc/36/49/05/1012364905.db2.gz CHILCMPBLQQPJD-VWLOTQADSA-N 2 1 419.613 3.970 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000523832691 1012519450 /nfs/dbraw/zinc/51/94/50/1012519450.db2.gz IAJZQBDTLXXEIE-OFNKIYASSA-N 2 1 406.574 3.635 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000523867460 1012564144 /nfs/dbraw/zinc/56/41/44/1012564144.db2.gz LBBYDGNDCKJWPZ-JOCHJYFZSA-N 2 1 420.601 3.782 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)NCC[N@@H+]2CCc3sccc3C2)[NH+]2CCCC2)cc1 ZINC000523904544 1012617095 /nfs/dbraw/zinc/61/70/95/1012617095.db2.gz YQTOCKFQJFIGET-OAQYLSRUSA-N 2 1 412.603 3.551 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)NCC[N@H+]2CCc3sccc3C2)[NH+]2CCCC2)cc1 ZINC000523904544 1012617106 /nfs/dbraw/zinc/61/71/06/1012617106.db2.gz YQTOCKFQJFIGET-OAQYLSRUSA-N 2 1 412.603 3.551 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1F ZINC000523904447 1012617729 /nfs/dbraw/zinc/61/77/29/1012617729.db2.gz VFDYVVSHYMSJNP-DYESRHJHSA-N 2 1 421.520 3.955 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1F ZINC000523904447 1012617743 /nfs/dbraw/zinc/61/77/43/1012617743.db2.gz VFDYVVSHYMSJNP-DYESRHJHSA-N 2 1 421.520 3.955 20 0 HHADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000523905150 1012619465 /nfs/dbraw/zinc/61/94/65/1012619465.db2.gz KVFGXQFDTBPRSK-VWLOTQADSA-N 2 1 422.617 3.509 20 0 HHADMP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)cc1Cl ZINC000523968508 1012713239 /nfs/dbraw/zinc/71/32/39/1012713239.db2.gz YIJDNXYRXVPXRE-HXUWFJFHSA-N 2 1 401.938 3.884 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000541911307 1012769195 /nfs/dbraw/zinc/76/91/95/1012769195.db2.gz FRJSCRLVHDDLNI-DXKHKXSTSA-N 2 1 413.512 3.879 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000541911307 1012769210 /nfs/dbraw/zinc/76/92/10/1012769210.db2.gz FRJSCRLVHDDLNI-DXKHKXSTSA-N 2 1 413.512 3.879 20 0 HHADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000541915100 1012773144 /nfs/dbraw/zinc/77/31/44/1012773144.db2.gz XWFBRGLJNOWAJK-WZONZLPQSA-N 2 1 410.562 3.634 20 0 HHADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000541915097 1012773403 /nfs/dbraw/zinc/77/34/03/1012773403.db2.gz XWFBRGLJNOWAJK-FDDCHVKYSA-N 2 1 410.562 3.634 20 0 HHADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)CC1)CC1CC1 ZINC000552787130 1012793073 /nfs/dbraw/zinc/79/30/73/1012793073.db2.gz PXZYVJLNPPUQOV-SFHVURJKSA-N 2 1 415.578 3.619 20 0 HHADMP COc1ccc(C2([NH2+]CC3(C[NH2+]C4(c5ccc(OC)cc5)CC4)COC3)CC2)cc1 ZINC000542053542 1012965270 /nfs/dbraw/zinc/96/52/70/1012965270.db2.gz VSDHPIZLDCQVLG-UHFFFAOYSA-N 2 1 408.542 3.578 20 0 HHADMP CC[C@@H](C)Oc1cc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccn1 ZINC000537468226 1012971460 /nfs/dbraw/zinc/97/14/60/1012971460.db2.gz PBHRKHFKOFIMOW-LJQANCHMSA-N 2 1 416.610 3.527 20 0 HHADMP CC[C@H](C)Oc1cc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccn1 ZINC000537468217 1012971716 /nfs/dbraw/zinc/97/17/16/1012971716.db2.gz PBHRKHFKOFIMOW-IBGZPJMESA-N 2 1 416.610 3.527 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)CC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537468600 1012972799 /nfs/dbraw/zinc/97/27/99/1012972799.db2.gz ZNWSBSBIIVEYJI-SFTDATJTSA-N 2 1 424.992 3.986 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N(C)CC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537468600 1012972810 /nfs/dbraw/zinc/97/28/10/1012972810.db2.gz ZNWSBSBIIVEYJI-SFTDATJTSA-N 2 1 424.992 3.986 20 0 HHADMP Clc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1I ZINC000565997719 1072643356 /nfs/dbraw/zinc/64/33/56/1072643356.db2.gz KTIUOEKBPXCJKJ-UHFFFAOYSA-N 2 1 404.723 3.909 20 0 HHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000586857879 1072480003 /nfs/dbraw/zinc/48/00/03/1072480003.db2.gz LXTBJWFUCQBUFF-ADYITMSISA-N 2 1 400.611 3.564 20 0 HHADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000586857879 1072480008 /nfs/dbraw/zinc/48/00/08/1072480008.db2.gz LXTBJWFUCQBUFF-ADYITMSISA-N 2 1 400.611 3.564 20 0 HHADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000586857879 1072480013 /nfs/dbraw/zinc/48/00/13/1072480013.db2.gz LXTBJWFUCQBUFF-ADYITMSISA-N 2 1 400.611 3.564 20 0 HHADMP Cc1nc(-c2ccccc2)nc2c1COC[C@]21CC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168378752 1072646969 /nfs/dbraw/zinc/64/69/69/1072646969.db2.gz STTVNJJRQPPFNP-AREMUKBSSA-N 2 1 418.585 3.800 20 0 HHADMP Cc1nc(-c2ccccc2)nc2c1COC[C@]21CC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168378752 1072646971 /nfs/dbraw/zinc/64/69/71/1072646971.db2.gz STTVNJJRQPPFNP-AREMUKBSSA-N 2 1 418.585 3.800 20 0 HHADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCc4ccccc4[C@@H]3Cc3ccccc3)cn2)CC1 ZINC000538793316 1072677157 /nfs/dbraw/zinc/67/71/57/1072677157.db2.gz BRRDNXUYNIBHPC-VWLOTQADSA-N 2 1 413.569 3.571 20 0 HHADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCc4ccccc4[C@@H]3Cc3ccccc3)cn2)CC1 ZINC000538793316 1072677165 /nfs/dbraw/zinc/67/71/65/1072677165.db2.gz BRRDNXUYNIBHPC-VWLOTQADSA-N 2 1 413.569 3.571 20 0 HHADMP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H](c3ncc[nH]3)c3cccnc3)cc2)C[C@H]1C ZINC000479404301 1072825421 /nfs/dbraw/zinc/82/54/21/1072825421.db2.gz CLKQRRKDRUBHBK-YOSAUDMPSA-N 2 1 419.573 3.693 20 0 HHADMP Cc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c(-c2ccnn2C)c1 ZINC000554915858 1072961085 /nfs/dbraw/zinc/96/10/85/1072961085.db2.gz BNIQBJKQXLFTQT-QFIPXVFZSA-N 2 1 409.603 3.535 20 0 HHADMP C[C@@H](CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC000555074541 1073135759 /nfs/dbraw/zinc/13/57/59/1073135759.db2.gz BETBPGDWHCRCOP-KXBFYZLASA-N 2 1 421.010 3.750 20 0 HHADMP C[C@@H](CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC000555074541 1073135762 /nfs/dbraw/zinc/13/57/62/1073135762.db2.gz BETBPGDWHCRCOP-KXBFYZLASA-N 2 1 421.010 3.750 20 0 HHADMP CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000588708671 1073154988 /nfs/dbraw/zinc/15/49/88/1073154988.db2.gz BSDCJFFMDUQVER-VAMGGRTRSA-N 2 1 401.595 3.958 20 0 HHADMP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC000588710808 1073156658 /nfs/dbraw/zinc/15/66/58/1073156658.db2.gz WJIOTUMHPYNSRI-QHAWAJNXSA-N 2 1 401.595 3.760 20 0 HHADMP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC000588710808 1073156661 /nfs/dbraw/zinc/15/66/61/1073156661.db2.gz WJIOTUMHPYNSRI-QHAWAJNXSA-N 2 1 401.595 3.760 20 0 HHADMP CC[NH+](CC)Cc1ccc(CNC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)cc1 ZINC000588762801 1073218401 /nfs/dbraw/zinc/21/84/01/1073218401.db2.gz SDCVQULZBYINKR-UHFFFAOYSA-N 2 1 414.619 3.822 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nnc(Cc2ccccc2)s1 ZINC000572319279 1073237379 /nfs/dbraw/zinc/23/73/79/1073237379.db2.gz NYWYXQLJPUKKIV-UHFFFAOYSA-N 2 1 413.635 3.761 20 0 HHADMP O[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000572452361 1073291338 /nfs/dbraw/zinc/29/13/38/1073291338.db2.gz JCUQOVRNHFYGSU-RBBKRZOGSA-N 2 1 402.966 3.972 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000590020518 1073473443 /nfs/dbraw/zinc/47/34/43/1073473443.db2.gz YHNSQIUBBBEBCQ-HUUCEWRRSA-N 2 1 405.329 3.882 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(OCc4ccccn4)cc3)CC2)C[C@H](C)O1 ZINC000590060554 1073535009 /nfs/dbraw/zinc/53/50/09/1073535009.db2.gz NHALWWDFCFPLRQ-OYRHEFFESA-N 2 1 409.574 3.982 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000555582623 1073650654 /nfs/dbraw/zinc/65/06/54/1073650654.db2.gz DSHSFKQTQQPVTP-TZIWHRDSSA-N 2 1 409.549 3.784 20 0 HHADMP c1ccc(C[N@H+]2C[C@@H](C[NH2+]Cc3cccc4c3OCCCO4)C3(C2)CCOCC3)cc1 ZINC000555619096 1073684315 /nfs/dbraw/zinc/68/43/15/1073684315.db2.gz YADNDBQYNZOPFT-HSZRJFAPSA-N 2 1 422.569 3.866 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]Cc3cccc4c3OCCCO4)C3(C2)CCOCC3)cc1 ZINC000555619096 1073684319 /nfs/dbraw/zinc/68/43/19/1073684319.db2.gz YADNDBQYNZOPFT-HSZRJFAPSA-N 2 1 422.569 3.866 20 0 HHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000590395807 1073782844 /nfs/dbraw/zinc/78/28/44/1073782844.db2.gz HXWPNLALVCJXRR-PXDATVDWSA-N 2 1 420.601 3.988 20 0 HHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000590395807 1073782848 /nfs/dbraw/zinc/78/28/48/1073782848.db2.gz HXWPNLALVCJXRR-PXDATVDWSA-N 2 1 420.601 3.988 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)CC1 ZINC000590786373 1074003359 /nfs/dbraw/zinc/00/33/59/1074003359.db2.gz UJWJZRXHKKYLQW-SFHVURJKSA-N 2 1 410.002 3.618 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001126962614 1074153825 /nfs/dbraw/zinc/15/38/25/1074153825.db2.gz ZNVNNVISDBZYJK-LGVFNWMJSA-N 2 1 405.586 3.781 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000591447747 1074303285 /nfs/dbraw/zinc/30/32/85/1074303285.db2.gz YGAJWRIHZZGBTL-FQEVSTJZSA-N 2 1 401.595 3.790 20 0 HHADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000573607670 1074567128 /nfs/dbraw/zinc/56/71/28/1074567128.db2.gz RZEGDRCAWMCWTP-UHFFFAOYSA-N 2 1 408.306 3.537 20 0 HHADMP C[N@@H+]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[C@@H]1Cc1ccccc1 ZINC000574181349 1075171287 /nfs/dbraw/zinc/17/12/87/1075171287.db2.gz DPGVTKMKRXOLCK-DEOSSOPVSA-N 2 1 405.586 3.674 20 0 HHADMP C[N@H+]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[C@@H]1Cc1ccccc1 ZINC000574181349 1075171291 /nfs/dbraw/zinc/17/12/91/1075171291.db2.gz DPGVTKMKRXOLCK-DEOSSOPVSA-N 2 1 405.586 3.674 20 0 HHADMP C[C@]12CCC[N@@H+]1C[C@H](c1noc([C@@H]3CCC[NH+](Cc4cccc(F)c4)C3)n1)OC2 ZINC000574318658 1075219562 /nfs/dbraw/zinc/21/95/62/1075219562.db2.gz ZSUKJGAFDLGVRG-SFGWALBWSA-N 2 1 400.498 3.514 20 0 HHADMP C[C@]12CCC[N@H+]1C[C@H](c1noc([C@@H]3CCC[NH+](Cc4cccc(F)c4)C3)n1)OC2 ZINC000574318658 1075219567 /nfs/dbraw/zinc/21/95/67/1075219567.db2.gz ZSUKJGAFDLGVRG-SFGWALBWSA-N 2 1 400.498 3.514 20 0 HHADMP C[C@]12CCC[NH+]1C[C@H](c1noc([C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)n1)OC2 ZINC000574318658 1075219572 /nfs/dbraw/zinc/21/95/72/1075219572.db2.gz ZSUKJGAFDLGVRG-SFGWALBWSA-N 2 1 400.498 3.514 20 0 HHADMP C[C@]12CCC[NH+]1C[C@H](c1noc([C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)n1)OC2 ZINC000574318658 1075219574 /nfs/dbraw/zinc/21/95/74/1075219574.db2.gz ZSUKJGAFDLGVRG-SFGWALBWSA-N 2 1 400.498 3.514 20 0 HHADMP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000574726949 1075312834 /nfs/dbraw/zinc/31/28/34/1075312834.db2.gz UNRAQGKYHPAMMT-SAPNQHFASA-N 2 1 409.496 3.595 20 0 HHADMP C[C@@H](CNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000601338777 1075605779 /nfs/dbraw/zinc/60/57/79/1075605779.db2.gz LJVOQMIHLMFGGY-NRFANRHFSA-N 2 1 400.611 3.805 20 0 HHADMP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000597885998 1075724518 /nfs/dbraw/zinc/72/45/18/1075724518.db2.gz KLOWQZJBJYLOFA-HSZRJFAPSA-N 2 1 421.589 3.515 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000597885998 1075724523 /nfs/dbraw/zinc/72/45/23/1075724523.db2.gz KLOWQZJBJYLOFA-HSZRJFAPSA-N 2 1 421.589 3.515 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)nc3cccc(Cl)c32)c2c1CC[NH2+]C2 ZINC001164684786 719621115 /nfs/dbraw/zinc/62/11/15/719621115.db2.gz XPVXUTAFRUTVAR-UHFFFAOYSA-N 2 1 405.333 3.608 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)nc3cccc(Cl)c32)c2c1CC[NH2+]C2 ZINC001164684786 719621120 /nfs/dbraw/zinc/62/11/20/719621120.db2.gz XPVXUTAFRUTVAR-UHFFFAOYSA-N 2 1 405.333 3.608 20 0 HHADMP c1cc2c[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cc2[nH]1 ZINC001164754826 720875865 /nfs/dbraw/zinc/87/58/65/720875865.db2.gz SXXXKURLUYNYSP-RCZVLFRGSA-N 2 1 417.557 3.713 20 0 HHADMP COc1cc2c[nH+]c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)cc2cc1OC ZINC001164863059 721008700 /nfs/dbraw/zinc/00/87/00/721008700.db2.gz SPMNGDMMGKARMK-INIZCTEOSA-N 2 1 409.534 3.870 20 0 HHADMP COc1cc2c[nH+]c(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)cc2cc1OC ZINC001164863059 721008707 /nfs/dbraw/zinc/00/87/07/721008707.db2.gz SPMNGDMMGKARMK-INIZCTEOSA-N 2 1 409.534 3.870 20 0 HHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]21 ZINC001165027855 721823029 /nfs/dbraw/zinc/82/30/29/721823029.db2.gz UEPFLCHHEOWQHO-YFNKSVMNSA-N 2 1 405.590 3.809 20 0 HHADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(C[NH+]5CCCC5)cn4)CC3)C2)cc1 ZINC001164939684 721930324 /nfs/dbraw/zinc/93/03/24/721930324.db2.gz OIISUWIYROTPKF-UHFFFAOYSA-N 2 1 420.601 3.857 20 0 HHADMP Cc1ccc(C[NH+]2CCOC3(CCN(c4ccc(C[N@H+](C)C5CC5)cn4)CC3)C2)cc1 ZINC001164940710 721932103 /nfs/dbraw/zinc/93/21/03/721932103.db2.gz YBFURRJEJMWFNH-UHFFFAOYSA-N 2 1 420.601 3.856 20 0 HHADMP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(C[NH+](C)C5CC5)cn4)CC3)C2)cc1 ZINC001164940710 721932105 /nfs/dbraw/zinc/93/21/05/721932105.db2.gz YBFURRJEJMWFNH-UHFFFAOYSA-N 2 1 420.601 3.856 20 0 HHADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(C[NH+](C)C5CC5)cn4)CC3)C2)cc1 ZINC001164940710 721932107 /nfs/dbraw/zinc/93/21/07/721932107.db2.gz YBFURRJEJMWFNH-UHFFFAOYSA-N 2 1 420.601 3.856 20 0 HHADMP COc1cc2[nH+]c(NC[C@H]3CCC[N@H+](Cc4cccs4)C3)nc(N)c2cc1OC ZINC000301232683 970822873 /nfs/dbraw/zinc/82/28/73/970822873.db2.gz IQTSFEQBAONQMH-CQSZACIVSA-N 2 1 413.547 3.615 20 0 HHADMP COc1cc2[nH+]c(NC[C@H]3CCC[N@@H+](Cc4cccs4)C3)nc(N)c2cc1OC ZINC000301232683 970822881 /nfs/dbraw/zinc/82/28/81/970822881.db2.gz IQTSFEQBAONQMH-CQSZACIVSA-N 2 1 413.547 3.615 20 0 HHADMP C[NH+](C)CCOc1cc(CNc2cc[nH+]c3ccc(Br)cc23)ccn1 ZINC000301873892 971093948 /nfs/dbraw/zinc/09/39/48/971093948.db2.gz JOYHCWXHQUZIQZ-UHFFFAOYSA-N 2 1 401.308 3.945 20 0 HHADMP CCc1c(C)[nH+]c2ccccc2c1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000302076211 971170472 /nfs/dbraw/zinc/17/04/72/971170472.db2.gz YCGMXZGWFSARCI-UHFFFAOYSA-N 2 1 408.590 3.876 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537560864 1013089006 /nfs/dbraw/zinc/08/90/06/1013089006.db2.gz BBKZCIWSYKQHAY-QMMLZNLJSA-N 2 1 420.960 3.659 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537560864 1013089021 /nfs/dbraw/zinc/08/90/21/1013089021.db2.gz BBKZCIWSYKQHAY-QMMLZNLJSA-N 2 1 420.960 3.659 20 0 HHADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000542159443 1013094496 /nfs/dbraw/zinc/09/44/96/1013094496.db2.gz VFZZCZNDPWJHDU-INIZCTEOSA-N 2 1 411.974 3.545 20 0 HHADMP CCCO[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000303300518 971611048 /nfs/dbraw/zinc/61/10/48/971611048.db2.gz CQCICHKSEZUNPD-DEOSSOPVSA-N 2 1 423.601 3.765 20 0 HHADMP CCCO[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000303300518 971611052 /nfs/dbraw/zinc/61/10/52/971611052.db2.gz CQCICHKSEZUNPD-DEOSSOPVSA-N 2 1 423.601 3.765 20 0 HHADMP C[C@@H](C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000303456517 971759799 /nfs/dbraw/zinc/75/97/99/971759799.db2.gz KCIIDCCUVMMKMV-IBGZPJMESA-N 2 1 406.574 3.602 20 0 HHADMP C[C@@H](C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000303456517 971759805 /nfs/dbraw/zinc/75/98/05/971759805.db2.gz KCIIDCCUVMMKMV-IBGZPJMESA-N 2 1 406.574 3.602 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000303475696 971775945 /nfs/dbraw/zinc/77/59/45/971775945.db2.gz OTKNUYTUNMXAEC-BHIFYINESA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000303475696 971775948 /nfs/dbraw/zinc/77/59/48/971775948.db2.gz OTKNUYTUNMXAEC-BHIFYINESA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000303475696 971775955 /nfs/dbraw/zinc/77/59/55/971775955.db2.gz OTKNUYTUNMXAEC-BHIFYINESA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000303475696 971775956 /nfs/dbraw/zinc/77/59/56/971775956.db2.gz OTKNUYTUNMXAEC-BHIFYINESA-N 2 1 400.611 3.660 20 0 HHADMP C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000303609711 971897537 /nfs/dbraw/zinc/89/75/37/971897537.db2.gz AYQTWFXSPWQBNG-KNQAVFIVSA-N 2 1 417.594 3.655 20 0 HHADMP CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000303642186 971921270 /nfs/dbraw/zinc/92/12/70/971921270.db2.gz VRWWHHCRNHGHAW-OYRHEFFESA-N 2 1 415.622 3.880 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000303642186 971921274 /nfs/dbraw/zinc/92/12/74/971921274.db2.gz VRWWHHCRNHGHAW-OYRHEFFESA-N 2 1 415.622 3.880 20 0 HHADMP CCCC[NH+](C)CC1CCN(C(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000303642186 971921280 /nfs/dbraw/zinc/92/12/80/971921280.db2.gz VRWWHHCRNHGHAW-OYRHEFFESA-N 2 1 415.622 3.880 20 0 HHADMP CCCC[NH+](C)CC1CCN(C(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000303642186 971921287 /nfs/dbraw/zinc/92/12/87/971921287.db2.gz VRWWHHCRNHGHAW-OYRHEFFESA-N 2 1 415.622 3.880 20 0 HHADMP CCOc1ccc(OC[C@H](O)C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000303737391 971990842 /nfs/dbraw/zinc/99/08/42/971990842.db2.gz HCRWAXQDNISFCL-YMPZKCBVSA-N 2 1 412.574 3.810 20 0 HHADMP CCOc1ccc(OC[C@H](O)C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000303737391 971990847 /nfs/dbraw/zinc/99/08/47/971990847.db2.gz HCRWAXQDNISFCL-YMPZKCBVSA-N 2 1 412.574 3.810 20 0 HHADMP CCOc1ccc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000303737391 971990851 /nfs/dbraw/zinc/99/08/51/971990851.db2.gz HCRWAXQDNISFCL-YMPZKCBVSA-N 2 1 412.574 3.810 20 0 HHADMP CCOc1ccc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000303737391 971990857 /nfs/dbraw/zinc/99/08/57/971990857.db2.gz HCRWAXQDNISFCL-YMPZKCBVSA-N 2 1 412.574 3.810 20 0 HHADMP C[C@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)C(=O)NCCc1cccs1 ZINC000303775540 972020574 /nfs/dbraw/zinc/02/05/74/972020574.db2.gz HTIPEDKCEQUGIL-SFHVURJKSA-N 2 1 414.619 3.685 20 0 HHADMP CC(C)(C)[N@H+]1C[C@@H](C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)[C@H](C(F)(F)F)C1 ZINC000553177615 1013137356 /nfs/dbraw/zinc/13/73/56/1013137356.db2.gz JHKSBPXZBXWFCZ-QRVBRYPASA-N 2 1 411.512 3.849 20 0 HHADMP C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000537621861 1013166970 /nfs/dbraw/zinc/16/69/70/1013166970.db2.gz GPCDMCTXVDAXAQ-CJFMBICVSA-N 2 1 411.565 3.863 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000537621861 1013166983 /nfs/dbraw/zinc/16/69/83/1013166983.db2.gz GPCDMCTXVDAXAQ-CJFMBICVSA-N 2 1 411.565 3.863 20 0 HHADMP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000537621824 1013167115 /nfs/dbraw/zinc/16/71/15/1013167115.db2.gz IOZQAIQTHJANDA-WIOPSUGQSA-N 2 1 422.617 3.735 20 0 HHADMP C[C@H]1C[C@H]([NH+](C)CCCN2C(=O)c3ccccc3C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000303881739 972422711 /nfs/dbraw/zinc/42/27/11/972422711.db2.gz RCXXRYYYTNPFJD-PZJWPPBQSA-N 2 1 405.542 3.658 20 0 HHADMP C[C@H]1C[C@H]([NH+](C)CCCN2C(=O)c3ccccc3C2=O)CC[N@H+]1Cc1ccccc1 ZINC000303881739 972422716 /nfs/dbraw/zinc/42/27/16/972422716.db2.gz RCXXRYYYTNPFJD-PZJWPPBQSA-N 2 1 405.542 3.658 20 0 HHADMP C[C@H]1C[C@H]([N@H+](C)CCCN2C(=O)c3ccccc3C2=O)CC[NH+]1Cc1ccccc1 ZINC000303881739 972422722 /nfs/dbraw/zinc/42/27/22/972422722.db2.gz RCXXRYYYTNPFJD-PZJWPPBQSA-N 2 1 405.542 3.658 20 0 HHADMP C[C@H]1C[C@H]([N@@H+](C)CCCN2C(=O)c3ccccc3C2=O)CC[NH+]1Cc1ccccc1 ZINC000303881739 972422729 /nfs/dbraw/zinc/42/27/29/972422729.db2.gz RCXXRYYYTNPFJD-PZJWPPBQSA-N 2 1 405.542 3.658 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000537692615 1013256821 /nfs/dbraw/zinc/25/68/21/1013256821.db2.gz KPMQYIYVNXGCDB-GUDVDZBRSA-N 2 1 408.468 3.575 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1sc(-c2ccccc2)nc1C ZINC000542367825 1013323466 /nfs/dbraw/zinc/32/34/66/1013323466.db2.gz WRBYXTUKPCPIJM-IBGZPJMESA-N 2 1 415.607 3.998 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N1CCSc2ccccc21 ZINC000537843733 1013406834 /nfs/dbraw/zinc/40/68/34/1013406834.db2.gz VOWYDAUWPGIGKY-UHFFFAOYSA-N 2 1 410.587 3.759 20 0 HHADMP Cc1cc([C@@H](NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c2cccnc2)ccc1F ZINC000542475862 1013423312 /nfs/dbraw/zinc/42/33/12/1013423312.db2.gz MFLNEVJRUAIDQV-RUZDIDTESA-N 2 1 419.548 3.815 20 0 HHADMP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](c3cccnc3)c3ccc(F)c(C)c3)cn2)CC1 ZINC000542479649 1013427721 /nfs/dbraw/zinc/42/77/21/1013427721.db2.gz VGGZUWSMQBKENO-VWLOTQADSA-N 2 1 419.548 3.945 20 0 HHADMP C[C@@H](CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1)[NH+]1CCCCC1 ZINC000542487736 1013434510 /nfs/dbraw/zinc/43/45/10/1013434510.db2.gz RUYLPLYENUWQNJ-PMACEKPBSA-N 2 1 407.624 3.776 20 0 HHADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](C)[NH+]1CCc2sccc2C1 ZINC000048829772 964070366 /nfs/dbraw/zinc/07/03/66/964070366.db2.gz CGJAMPOKRZZQHN-GOSISDBHSA-N 2 1 414.619 3.834 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](C)[NH+]1CCc2sccc2C1 ZINC000048829772 964070379 /nfs/dbraw/zinc/07/03/79/964070379.db2.gz CGJAMPOKRZZQHN-GOSISDBHSA-N 2 1 414.619 3.834 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000048829772 964070392 /nfs/dbraw/zinc/07/03/92/964070392.db2.gz CGJAMPOKRZZQHN-GOSISDBHSA-N 2 1 414.619 3.834 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000048829772 964070410 /nfs/dbraw/zinc/07/04/10/964070410.db2.gz CGJAMPOKRZZQHN-GOSISDBHSA-N 2 1 414.619 3.834 20 0 HHADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cc(C)ccc1OC ZINC000537887614 1013469110 /nfs/dbraw/zinc/46/91/10/1013469110.db2.gz MVVOQMILBUXSMV-GGAORHGYSA-N 2 1 409.574 3.942 20 0 HHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@@H](COC)c3ccc(Cl)cc3)CC2)CC1 ZINC000553575822 1013472565 /nfs/dbraw/zinc/47/25/65/1013472565.db2.gz PKYRGDFLHWSYEQ-QFIPXVFZSA-N 2 1 422.013 3.682 20 0 HHADMP C[C@H]([NH2+]CC(=O)NCc1ccccc1OC1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542531690 1013475319 /nfs/dbraw/zinc/47/53/19/1013475319.db2.gz FCOKOAUCGABATD-PZJWPPBQSA-N 2 1 413.606 3.867 20 0 HHADMP C[C@H]([NH2+]CC(=O)NCc1ccccc1OC1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542531690 1013475323 /nfs/dbraw/zinc/47/53/23/1013475323.db2.gz FCOKOAUCGABATD-PZJWPPBQSA-N 2 1 413.606 3.867 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)CC1 ZINC000050136930 964274060 /nfs/dbraw/zinc/27/40/60/964274060.db2.gz QKGMIJAJZWMPHS-HXUWFJFHSA-N 2 1 406.640 3.722 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000050136930 964274067 /nfs/dbraw/zinc/27/40/67/964274067.db2.gz QKGMIJAJZWMPHS-HXUWFJFHSA-N 2 1 406.640 3.722 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000050136930 964274077 /nfs/dbraw/zinc/27/40/77/964274077.db2.gz QKGMIJAJZWMPHS-HXUWFJFHSA-N 2 1 406.640 3.722 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](Cc2cccc(F)c2)C2CC2)CC1 ZINC000052161811 964824928 /nfs/dbraw/zinc/82/49/28/964824928.db2.gz TXXNBECVJRRXQY-UHFFFAOYSA-N 2 1 409.549 3.879 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](Cc2cccc(F)c2)C2CC2)CC1 ZINC000052161811 964824940 /nfs/dbraw/zinc/82/49/40/964824940.db2.gz TXXNBECVJRRXQY-UHFFFAOYSA-N 2 1 409.549 3.879 20 0 HHADMP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000542593966 1013533083 /nfs/dbraw/zinc/53/30/83/1013533083.db2.gz YZPVISLFKJLGAT-SFTDATJTSA-N 2 1 414.638 3.877 20 0 HHADMP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000542593963 1013533337 /nfs/dbraw/zinc/53/33/37/1013533337.db2.gz YZPVISLFKJLGAT-LEWJYISDSA-N 2 1 414.638 3.877 20 0 HHADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000537959489 1013539364 /nfs/dbraw/zinc/53/93/64/1013539364.db2.gz JKRSZNAOITZXKV-YSSFQJQWSA-N 2 1 400.592 3.932 20 0 HHADMP Cc1ccccc1C[NH+]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000029655819 965447428 /nfs/dbraw/zinc/44/74/28/965447428.db2.gz QAQZJLINQOUNQO-UHFFFAOYSA-N 2 1 406.574 3.618 20 0 HHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000058467177 965744763 /nfs/dbraw/zinc/74/47/63/965744763.db2.gz BKIWEQVHCIAGTR-UHFFFAOYSA-N 2 1 408.590 3.598 20 0 HHADMP Brc1ccc(OCc2ccccn2)c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000030906916 965828373 /nfs/dbraw/zinc/82/83/73/965828373.db2.gz DNUDPYCULJJWEY-MRXNPFEDSA-N 2 1 416.363 3.997 20 0 HHADMP Brc1ccc(OCc2ccccn2)c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000030906916 965828383 /nfs/dbraw/zinc/82/83/83/965828383.db2.gz DNUDPYCULJJWEY-MRXNPFEDSA-N 2 1 416.363 3.997 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@H]3CCC[NH+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000031541695 966046801 /nfs/dbraw/zinc/04/68/01/966046801.db2.gz JEELTJZZDDSULI-BKSPAHHJSA-N 2 1 421.585 3.690 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@H]3CCC[NH+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000031541695 966046812 /nfs/dbraw/zinc/04/68/12/966046812.db2.gz JEELTJZZDDSULI-BKSPAHHJSA-N 2 1 421.585 3.690 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000031541695 966046824 /nfs/dbraw/zinc/04/68/24/966046824.db2.gz JEELTJZZDDSULI-BKSPAHHJSA-N 2 1 421.585 3.690 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000031541695 966046836 /nfs/dbraw/zinc/04/68/36/966046836.db2.gz JEELTJZZDDSULI-BKSPAHHJSA-N 2 1 421.585 3.690 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000059986350 966047051 /nfs/dbraw/zinc/04/70/51/966047051.db2.gz ZTSAJWAFJDMRSB-BGYRXZFFSA-N 2 1 400.611 3.707 20 0 HHADMP C[N@@H+](CCNC(=O)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000060354079 966105047 /nfs/dbraw/zinc/10/50/47/966105047.db2.gz VZTMKMSANHOAEK-QFIPXVFZSA-N 2 1 419.491 3.689 20 0 HHADMP C[NH+](CCNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000060354079 966105053 /nfs/dbraw/zinc/10/50/53/966105053.db2.gz VZTMKMSANHOAEK-QFIPXVFZSA-N 2 1 419.491 3.689 20 0 HHADMP C[NH+](CCNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000060354079 966105060 /nfs/dbraw/zinc/10/50/60/966105060.db2.gz VZTMKMSANHOAEK-QFIPXVFZSA-N 2 1 419.491 3.689 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cn1 ZINC000056763970 966451476 /nfs/dbraw/zinc/45/14/76/966451476.db2.gz BRPUBQODSDNARE-UHFFFAOYSA-N 2 1 418.545 3.926 20 0 HHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056846043 966490910 /nfs/dbraw/zinc/49/09/10/966490910.db2.gz JSNVESLLXWMOPF-HXUWFJFHSA-N 2 1 400.611 3.934 20 0 HHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000061550804 966497393 /nfs/dbraw/zinc/49/73/93/966497393.db2.gz MIMZXKWEZGVUQQ-DEOSSOPVSA-N 2 1 408.590 3.992 20 0 HHADMP CN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000542754938 1013661834 /nfs/dbraw/zinc/66/18/34/1013661834.db2.gz IXIYLYACTNMSOA-HKUYNNGSSA-N 2 1 414.516 3.681 20 0 HHADMP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc(Br)c1OC(F)F ZINC000062426897 966673993 /nfs/dbraw/zinc/67/39/93/966673993.db2.gz HLBHLOLHYZJKTC-GFCCVEGCSA-N 2 1 407.299 3.879 20 0 HHADMP COc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc(Br)c1OC(F)F ZINC000062426897 966674000 /nfs/dbraw/zinc/67/40/00/966674000.db2.gz HLBHLOLHYZJKTC-GFCCVEGCSA-N 2 1 407.299 3.879 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000063150066 966762919 /nfs/dbraw/zinc/76/29/19/966762919.db2.gz CMGSIGLMVGEFAF-UHFFFAOYSA-N 2 1 402.652 3.578 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000042929004 966870982 /nfs/dbraw/zinc/87/09/82/966870982.db2.gz VARMHQVMFKASNR-UHFFFAOYSA-N 2 1 408.590 3.991 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)c1 ZINC000064229596 967095199 /nfs/dbraw/zinc/09/51/99/967095199.db2.gz XGSPTIIFRXNVPT-UHFFFAOYSA-N 2 1 408.590 3.864 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)c1 ZINC000064229596 967095209 /nfs/dbraw/zinc/09/52/09/967095209.db2.gz XGSPTIIFRXNVPT-UHFFFAOYSA-N 2 1 408.590 3.864 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)c1 ZINC000064229596 967095212 /nfs/dbraw/zinc/09/52/12/967095212.db2.gz XGSPTIIFRXNVPT-UHFFFAOYSA-N 2 1 408.590 3.864 20 0 HHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+](C)C)CC2)cc1 ZINC000065466379 967479865 /nfs/dbraw/zinc/47/98/65/967479865.db2.gz PKXVVTRSKPOVIN-DEOSSOPVSA-N 2 1 408.590 3.824 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC000065517445 967502525 /nfs/dbraw/zinc/50/25/25/967502525.db2.gz FBEQFPWVIQXYGB-GMAHTHKFSA-N 2 1 424.589 3.652 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[NH+](C)C ZINC000065517445 967502527 /nfs/dbraw/zinc/50/25/27/967502527.db2.gz FBEQFPWVIQXYGB-GMAHTHKFSA-N 2 1 424.589 3.652 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000045757756 967548264 /nfs/dbraw/zinc/54/82/64/967548264.db2.gz QVVSUMNUKAEMLP-OAQYLSRUSA-N 2 1 400.611 3.913 20 0 HHADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000045981856 967618144 /nfs/dbraw/zinc/61/81/44/967618144.db2.gz FEMBAZYUFKQBHH-UHFFFAOYSA-N 2 1 406.574 3.700 20 0 HHADMP Cc1ccc(NC2CC[NH+](Cc3ccncc3)CC2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000542949644 1013781600 /nfs/dbraw/zinc/78/16/00/1013781600.db2.gz MMVJPKAIUHRSPH-UHFFFAOYSA-N 2 1 421.589 3.891 20 0 HHADMP C[N@H+](CCc1cccc(NC(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)c1)C1CC1 ZINC000538228012 1013777711 /nfs/dbraw/zinc/77/77/11/1013777711.db2.gz NCHKVRLGNOZYOQ-XMMPIXPASA-N 2 1 407.558 3.553 20 0 HHADMP C[N@@H+](CCc1cccc(NC(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)c1)C1CC1 ZINC000538228012 1013777718 /nfs/dbraw/zinc/77/77/18/1013777718.db2.gz NCHKVRLGNOZYOQ-XMMPIXPASA-N 2 1 407.558 3.553 20 0 HHADMP C[NH+](CCc1cccc(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1)C1CC1 ZINC000538228012 1013777723 /nfs/dbraw/zinc/77/77/23/1013777723.db2.gz NCHKVRLGNOZYOQ-XMMPIXPASA-N 2 1 407.558 3.553 20 0 HHADMP C[NH+](CCc1cccc(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1)C1CC1 ZINC000538228012 1013777732 /nfs/dbraw/zinc/77/77/32/1013777732.db2.gz NCHKVRLGNOZYOQ-XMMPIXPASA-N 2 1 407.558 3.553 20 0 HHADMP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542954914 1013785877 /nfs/dbraw/zinc/78/58/77/1013785877.db2.gz SUIZOWBEWCTKQA-UIAACRFSSA-N 2 1 422.976 3.929 20 0 HHADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542954914 1013785882 /nfs/dbraw/zinc/78/58/82/1013785882.db2.gz SUIZOWBEWCTKQA-UIAACRFSSA-N 2 1 422.976 3.929 20 0 HHADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542954914 1013785885 /nfs/dbraw/zinc/78/58/85/1013785885.db2.gz SUIZOWBEWCTKQA-UIAACRFSSA-N 2 1 422.976 3.929 20 0 HHADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542954914 1013785892 /nfs/dbraw/zinc/78/58/92/1013785892.db2.gz SUIZOWBEWCTKQA-UIAACRFSSA-N 2 1 422.976 3.929 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000096626714 969048891 /nfs/dbraw/zinc/04/88/91/969048891.db2.gz MLHKKCVZDCVZPL-JOCHJYFZSA-N 2 1 409.549 3.819 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2c(C)cc(C)nc2OC)CC1 ZINC000554229753 1013863127 /nfs/dbraw/zinc/86/31/27/1013863127.db2.gz FJRUXEXLPHQKRJ-SFHVURJKSA-N 2 1 400.542 3.839 20 0 HHADMP O=C(N1CC[NH+](C2CCCC2)CC1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000110165136 969632332 /nfs/dbraw/zinc/63/23/32/969632332.db2.gz PPDGBNVAUFMTIA-NRFANRHFSA-N 2 1 409.496 3.528 20 0 HHADMP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000139840406 970049375 /nfs/dbraw/zinc/04/93/75/970049375.db2.gz ZAXSZWGJYCHDHX-SFHVURJKSA-N 2 1 404.624 3.867 20 0 HHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000139840406 970049376 /nfs/dbraw/zinc/04/93/76/970049376.db2.gz ZAXSZWGJYCHDHX-SFHVURJKSA-N 2 1 404.624 3.867 20 0 HHADMP C[C@@H](c1ccc(NC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1)[NH+]1CCOCC1 ZINC000554442934 1013951202 /nfs/dbraw/zinc/95/12/02/1013951202.db2.gz QESDYRYACJWXLL-HTAPYJJXSA-N 2 1 414.525 3.643 20 0 HHADMP CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000236759268 970168529 /nfs/dbraw/zinc/16/85/29/970168529.db2.gz IBHPLNNCJCESAU-OAQYLSRUSA-N 2 1 401.595 3.930 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1F ZINC000143566099 970201366 /nfs/dbraw/zinc/20/13/66/970201366.db2.gz SKHATDVFWOBOLQ-NRFANRHFSA-N 2 1 406.505 3.848 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000143566099 970201391 /nfs/dbraw/zinc/20/13/91/970201391.db2.gz SKHATDVFWOBOLQ-NRFANRHFSA-N 2 1 406.505 3.848 20 0 HHADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)c[nH]1 ZINC000237071189 970217124 /nfs/dbraw/zinc/21/71/24/970217124.db2.gz NMVFSEVODVZVAE-VQIMIIECSA-N 2 1 409.452 3.993 20 0 HHADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)c[nH]1 ZINC000237071189 970217131 /nfs/dbraw/zinc/21/71/31/970217131.db2.gz NMVFSEVODVZVAE-VQIMIIECSA-N 2 1 409.452 3.993 20 0 HHADMP Cc1ccc(-c2nc(C[NH2+]Cc3ccc(C(=O)NCC[NH+](C)C)cc3)cs2)cc1 ZINC000237178186 970236833 /nfs/dbraw/zinc/23/68/33/970236833.db2.gz YNEXLWPTLCIFFK-UHFFFAOYSA-N 2 1 408.571 3.700 20 0 HHADMP Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)o1 ZINC000237204992 970241319 /nfs/dbraw/zinc/24/13/19/970241319.db2.gz MMJIUBFRJLMVSX-UHFFFAOYSA-N 2 1 424.545 3.758 20 0 HHADMP C[C@@H]([NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000237418215 970281540 /nfs/dbraw/zinc/28/15/40/970281540.db2.gz DQWSZAKMMGWRDO-LJQANCHMSA-N 2 1 417.619 3.746 20 0 HHADMP C[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000237418215 970281548 /nfs/dbraw/zinc/28/15/48/970281548.db2.gz DQWSZAKMMGWRDO-LJQANCHMSA-N 2 1 417.619 3.746 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccccc2OCC(=O)NCC2CC2)CC1 ZINC000237456424 970291656 /nfs/dbraw/zinc/29/16/56/970291656.db2.gz BNLUKUAFZKKTDQ-HXUWFJFHSA-N 2 1 421.585 3.907 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[NH2+][C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2cc1C ZINC000554540715 1013974056 /nfs/dbraw/zinc/97/40/56/1013974056.db2.gz FMGXGZHMWJYQCE-ACIOBRDBSA-N 2 1 406.574 3.514 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C1 ZINC000237601339 970320106 /nfs/dbraw/zinc/32/01/06/970320106.db2.gz CVRFVWCXMGTYMM-RTBURBONSA-N 2 1 412.578 3.706 20 0 HHADMP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000237685074 970338800 /nfs/dbraw/zinc/33/88/00/970338800.db2.gz MWOHPWMBQZYQNX-IBGZPJMESA-N 2 1 404.986 3.777 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]Cc2ccc(Cl)c(Cl)c2)c1 ZINC000237693476 970340710 /nfs/dbraw/zinc/34/07/10/970340710.db2.gz ISOPOMCGJGRDIF-UHFFFAOYSA-N 2 1 422.356 3.944 20 0 HHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)C[C@H](C)O1 ZINC000237774408 970363592 /nfs/dbraw/zinc/36/35/92/970363592.db2.gz OUIXNCSCYFOAKB-IYBDPMFKSA-N 2 1 403.548 3.518 20 0 HHADMP Clc1nc2ccccn2c1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000237803166 970370184 /nfs/dbraw/zinc/37/01/84/970370184.db2.gz SSBJYTSYBKIDEM-UHFFFAOYSA-N 2 1 411.981 3.675 20 0 HHADMP Clc1cccc([C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)N2CCOCC2)c1 ZINC000237832109 970377578 /nfs/dbraw/zinc/37/75/78/970377578.db2.gz AQQYZBSVHZTOTG-DEOSSOPVSA-N 2 1 413.993 3.968 20 0 HHADMP O=C(N1CC[NH+](Cc2cccc3ccccc32)CC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237918858 970394222 /nfs/dbraw/zinc/39/42/22/970394222.db2.gz XAEHRARACOBEJZ-UHFFFAOYSA-N 2 1 413.565 3.805 20 0 HHADMP [NH3+]Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000238071553 970434656 /nfs/dbraw/zinc/43/46/56/970434656.db2.gz WPNPNKYDUFPHJZ-UHFFFAOYSA-N 2 1 414.553 3.715 20 0 HHADMP C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309725783 972619144 /nfs/dbraw/zinc/61/91/44/972619144.db2.gz NPCMUGMQGUTCNW-CEMLEFRQSA-N 2 1 417.594 3.513 20 0 HHADMP Brc1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc2c1OCCO2 ZINC000311506254 972627119 /nfs/dbraw/zinc/62/71/19/972627119.db2.gz MRWJUTNPVCQYJT-QGZVFWFLSA-N 2 1 417.347 3.832 20 0 HHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000554848593 1014073868 /nfs/dbraw/zinc/07/38/68/1014073868.db2.gz OFXURJPEXNVFQR-RLLQIKCJSA-N 2 1 423.523 3.820 20 0 HHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000554848593 1014073873 /nfs/dbraw/zinc/07/38/73/1014073873.db2.gz OFXURJPEXNVFQR-RLLQIKCJSA-N 2 1 423.523 3.820 20 0 HHADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000554848593 1014073879 /nfs/dbraw/zinc/07/38/79/1014073879.db2.gz OFXURJPEXNVFQR-RLLQIKCJSA-N 2 1 423.523 3.820 20 0 HHADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000554848593 1014073884 /nfs/dbraw/zinc/07/38/84/1014073884.db2.gz OFXURJPEXNVFQR-RLLQIKCJSA-N 2 1 423.523 3.820 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000409572923 973021833 /nfs/dbraw/zinc/02/18/33/973021833.db2.gz HOWUCUBBBSBUKZ-UHFFFAOYSA-N 2 1 421.520 3.784 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000410328049 973892447 /nfs/dbraw/zinc/89/24/47/973892447.db2.gz UFFZQAKNYPKBRY-OAQYLSRUSA-N 2 1 420.601 3.705 20 0 HHADMP CC[N@@H+](CCNC(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1)CCC(F)(F)F ZINC000425975746 974082559 /nfs/dbraw/zinc/08/25/59/974082559.db2.gz CWHVIYCZFSUHLF-SFHVURJKSA-N 2 1 420.564 3.947 20 0 HHADMP CC[NH+](CCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)CCC(F)(F)F ZINC000425975746 974082586 /nfs/dbraw/zinc/08/25/86/974082586.db2.gz CWHVIYCZFSUHLF-SFHVURJKSA-N 2 1 420.564 3.947 20 0 HHADMP CC[NH+](CCNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)CCC(F)(F)F ZINC000425975746 974082598 /nfs/dbraw/zinc/08/25/98/974082598.db2.gz CWHVIYCZFSUHLF-SFHVURJKSA-N 2 1 420.564 3.947 20 0 HHADMP CC[N@@H+](CCNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1)CCC(F)(F)F ZINC000425993083 974105815 /nfs/dbraw/zinc/10/58/15/974105815.db2.gz AIHAADAYDBLMDC-ROUUACIJSA-N 2 1 406.537 3.557 20 0 HHADMP CC[NH+](CCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)CCC(F)(F)F ZINC000425993083 974105848 /nfs/dbraw/zinc/10/58/48/974105848.db2.gz AIHAADAYDBLMDC-ROUUACIJSA-N 2 1 406.537 3.557 20 0 HHADMP CC[NH+](CCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)CCC(F)(F)F ZINC000425993083 974105861 /nfs/dbraw/zinc/10/58/61/974105861.db2.gz AIHAADAYDBLMDC-ROUUACIJSA-N 2 1 406.537 3.557 20 0 HHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)CCc2ccc(OC)c(O)c2)CC1 ZINC000426422315 974440224 /nfs/dbraw/zinc/44/02/24/974440224.db2.gz VMCVFSKSGITBQN-FQEVSTJZSA-N 2 1 411.590 3.649 20 0 HHADMP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426769390 974646083 /nfs/dbraw/zinc/64/60/83/974646083.db2.gz ILXBTJANDXYMPU-HDICACEKSA-N 2 1 405.558 3.674 20 0 HHADMP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000426770954 974648015 /nfs/dbraw/zinc/64/80/15/974648015.db2.gz XQNDDYXKTUIFRM-QHAWAJNXSA-N 2 1 401.595 3.842 20 0 HHADMP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000426770954 974648018 /nfs/dbraw/zinc/64/80/18/974648018.db2.gz XQNDDYXKTUIFRM-QHAWAJNXSA-N 2 1 401.595 3.842 20 0 HHADMP COc1ccc(C)cc1NC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426828974 974693819 /nfs/dbraw/zinc/69/38/19/974693819.db2.gz NDRVZEWWQOJPIR-ZCNNSNEGSA-N 2 1 417.594 3.542 20 0 HHADMP COc1ccc(C)cc1NC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426828974 974693824 /nfs/dbraw/zinc/69/38/24/974693824.db2.gz NDRVZEWWQOJPIR-ZCNNSNEGSA-N 2 1 417.594 3.542 20 0 HHADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3nc(-c4ccc(F)cc4)no3)CC2)C[C@@H](C)O1 ZINC000426836892 974701177 /nfs/dbraw/zinc/70/11/77/974701177.db2.gz WTGSXTRNZDYPFU-IAGOWNOFSA-N 2 1 402.514 3.587 20 0 HHADMP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426837505 974701782 /nfs/dbraw/zinc/70/17/82/974701782.db2.gz YHSIZKDUDQZSNH-ZCNNSNEGSA-N 2 1 419.585 3.556 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000426884844 974731003 /nfs/dbraw/zinc/73/10/03/974731003.db2.gz WIWDXIKTPYSSPV-LSTHTHJFSA-N 2 1 409.496 3.831 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000426884844 974731010 /nfs/dbraw/zinc/73/10/10/974731010.db2.gz WIWDXIKTPYSSPV-LSTHTHJFSA-N 2 1 409.496 3.831 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000426884844 974731012 /nfs/dbraw/zinc/73/10/12/974731012.db2.gz WIWDXIKTPYSSPV-LSTHTHJFSA-N 2 1 409.496 3.831 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3ccc(Nc4cc[nH+]cc4)cc3)CC2)C[C@H](C)O1 ZINC000427342593 975065475 /nfs/dbraw/zinc/06/54/75/975065475.db2.gz QAIBSQUCSOGBIH-BGYRXZFFSA-N 2 1 422.573 3.599 20 0 HHADMP CNC(=O)c1cccc(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000428233814 975553165 /nfs/dbraw/zinc/55/31/65/975553165.db2.gz USPILPOFVBLRPK-UBFVSLLYSA-N 2 1 405.586 3.869 20 0 HHADMP C[C@H]1C[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000428856517 976146915 /nfs/dbraw/zinc/14/69/15/976146915.db2.gz NILJXYSBCAISAV-JTHBVZDNSA-N 2 1 400.611 3.995 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)[nH+]c1 ZINC000428906085 976207489 /nfs/dbraw/zinc/20/74/89/976207489.db2.gz JZANOFAMJZDMII-NFBKMPQASA-N 2 1 421.589 3.711 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)[nH+]c1 ZINC000428906085 976207498 /nfs/dbraw/zinc/20/74/98/976207498.db2.gz JZANOFAMJZDMII-NFBKMPQASA-N 2 1 421.589 3.711 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000429232918 976524039 /nfs/dbraw/zinc/52/40/39/976524039.db2.gz CCKAMPBAHSNXBN-SFHVURJKSA-N 2 1 408.468 3.982 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000429232918 976524052 /nfs/dbraw/zinc/52/40/52/976524052.db2.gz CCKAMPBAHSNXBN-SFHVURJKSA-N 2 1 408.468 3.982 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000429247020 976536942 /nfs/dbraw/zinc/53/69/42/976536942.db2.gz VDEBEHWUAMVATN-UHFFFAOYSA-N 2 1 407.356 3.867 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000429247020 976536951 /nfs/dbraw/zinc/53/69/51/976536951.db2.gz VDEBEHWUAMVATN-UHFFFAOYSA-N 2 1 407.356 3.867 20 0 HHADMP Cc1cc(NC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)n(C2CC[NH+](C)CC2)n1 ZINC000429334119 976598339 /nfs/dbraw/zinc/59/83/39/976598339.db2.gz WGEQPDBUTRALOM-XMMPIXPASA-N 2 1 424.593 3.634 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)CC[N@H+]1C ZINC000429494175 976752188 /nfs/dbraw/zinc/75/21/88/976752188.db2.gz RAIZHAVNBXKPQW-COPCDDAFSA-N 2 1 400.611 3.584 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)CC[NH+]1C ZINC000429494175 976752192 /nfs/dbraw/zinc/75/21/92/976752192.db2.gz RAIZHAVNBXKPQW-COPCDDAFSA-N 2 1 400.611 3.584 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)CC[NH+]1C ZINC000429494175 976752204 /nfs/dbraw/zinc/75/22/04/976752204.db2.gz RAIZHAVNBXKPQW-COPCDDAFSA-N 2 1 400.611 3.584 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000430674274 977684840 /nfs/dbraw/zinc/68/48/40/977684840.db2.gz IKKUJKOZPNVGDU-UXHICEINSA-N 2 1 419.560 3.723 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1SCCc2ccccc21 ZINC000430680158 977690567 /nfs/dbraw/zinc/69/05/67/977690567.db2.gz XQZUGRMLGMDOQN-HSZRJFAPSA-N 2 1 415.647 3.672 20 0 HHADMP Cc1ccc(OCCC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000430680518 977690628 /nfs/dbraw/zinc/69/06/28/977690628.db2.gz OTUQCWNWKLRIPA-UHFFFAOYSA-N 2 1 415.622 3.727 20 0 HHADMP COc1ccc(CCCC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000430679994 977690741 /nfs/dbraw/zinc/69/07/41/977690741.db2.gz QTVMMJYLXOUGMH-UHFFFAOYSA-N 2 1 415.622 3.673 20 0 HHADMP Cc1nc(CC(C)C)sc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430688311 977696073 /nfs/dbraw/zinc/69/60/73/977696073.db2.gz WMKUICKDZTWEOA-UHFFFAOYSA-N 2 1 420.667 3.918 20 0 HHADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)NC(=O)Nc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000430811645 977772189 /nfs/dbraw/zinc/77/21/89/977772189.db2.gz QXJNXIAXXZBDSF-SIKLNZKXSA-N 2 1 408.546 3.710 20 0 HHADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)NC(=O)Nc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000430811645 977772194 /nfs/dbraw/zinc/77/21/94/977772194.db2.gz QXJNXIAXXZBDSF-SIKLNZKXSA-N 2 1 408.546 3.710 20 0 HHADMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)NC(=O)Nc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000430811645 977772199 /nfs/dbraw/zinc/77/21/99/977772199.db2.gz QXJNXIAXXZBDSF-SIKLNZKXSA-N 2 1 408.546 3.710 20 0 HHADMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)NC(=O)Nc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000430811645 977772203 /nfs/dbraw/zinc/77/22/03/977772203.db2.gz QXJNXIAXXZBDSF-SIKLNZKXSA-N 2 1 408.546 3.710 20 0 HHADMP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430910130 977877131 /nfs/dbraw/zinc/87/71/31/977877131.db2.gz RSFRNPJVKCFHMJ-LJQANCHMSA-N 2 1 418.601 3.589 20 0 HHADMP Cc1ccc(NC(=O)C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(Cl)c1 ZINC000430916624 977884843 /nfs/dbraw/zinc/88/48/43/977884843.db2.gz WGYRQZOWDVCTJO-UHFFFAOYSA-N 2 1 421.029 3.715 20 0 HHADMP Cc1ccc(NC(=O)C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(Cl)c1 ZINC000430916624 977884851 /nfs/dbraw/zinc/88/48/51/977884851.db2.gz WGYRQZOWDVCTJO-UHFFFAOYSA-N 2 1 421.029 3.715 20 0 HHADMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1C ZINC000430945566 977906240 /nfs/dbraw/zinc/90/62/40/977906240.db2.gz RRFUNNSWRXMVOO-OAQYLSRUSA-N 2 1 414.638 3.759 20 0 HHADMP C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430951431 977909996 /nfs/dbraw/zinc/90/99/96/977909996.db2.gz LINIIZBMAUVNBF-OAQYLSRUSA-N 2 1 418.670 3.510 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)COc1ccc2ccccc2c1 ZINC000431000911 977946023 /nfs/dbraw/zinc/94/60/23/977946023.db2.gz HGHMGFCKTABXQW-UHFFFAOYSA-N 2 1 423.601 3.873 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)Nc2cccc(OCC[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000431056863 977986212 /nfs/dbraw/zinc/98/62/12/977986212.db2.gz FPCDKRZROBBKJN-KNQAVFIVSA-N 2 1 410.562 3.802 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1nc(C2CC2)cs1 ZINC000431057502 977986826 /nfs/dbraw/zinc/98/68/26/977986826.db2.gz IGRWNMAEMMSYRB-UHFFFAOYSA-N 2 1 405.612 3.681 20 0 HHADMP Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000431150614 978051732 /nfs/dbraw/zinc/05/17/32/978051732.db2.gz GRCPKJSSPAJKRK-PZJWPPBQSA-N 2 1 424.593 3.633 20 0 HHADMP CCN(C(=O)[C@@H](C)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)C1CCCCC1 ZINC000431393197 978267258 /nfs/dbraw/zinc/26/72/58/978267258.db2.gz SBDJVPUVWILKHU-OAQYLSRUSA-N 2 1 420.686 3.684 20 0 HHADMP C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431660924 978418241 /nfs/dbraw/zinc/41/82/41/978418241.db2.gz ORILVCLEOASTLH-DVECYGJZSA-N 2 1 412.622 3.758 20 0 HHADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000431690591 978438096 /nfs/dbraw/zinc/43/80/96/978438096.db2.gz KCBWMCSBKHQULN-TZIWHRDSSA-N 2 1 401.599 3.559 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000431699931 978444260 /nfs/dbraw/zinc/44/42/60/978444260.db2.gz SXTDTZPFAJKYJG-OFNKIYASSA-N 2 1 400.611 3.803 20 0 HHADMP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431746197 978478283 /nfs/dbraw/zinc/47/82/83/978478283.db2.gz UFZGTMFQFQIJIV-XMMPIXPASA-N 2 1 412.622 3.502 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000431775968 978503504 /nfs/dbraw/zinc/50/35/04/978503504.db2.gz LLVVZLLVHYECBV-HSZRJFAPSA-N 2 1 416.585 3.651 20 0 HHADMP C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000431786611 978512946 /nfs/dbraw/zinc/51/29/46/978512946.db2.gz SZVNIOMHAMQKNE-JPYJTQIMSA-N 2 1 416.585 3.552 20 0 HHADMP C[C@@H](CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)[N@H+]1CCCC[C@H]1C ZINC000431808932 978529245 /nfs/dbraw/zinc/52/92/45/978529245.db2.gz LISXFNKGBKAMRT-YADHBBJMSA-N 2 1 412.622 3.947 20 0 HHADMP C[N@@H+](CCNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Cc1ccccc1 ZINC000431862860 978558531 /nfs/dbraw/zinc/55/85/31/978558531.db2.gz ZORBOMJMOPOPPB-UHFFFAOYSA-N 2 1 420.601 3.816 20 0 HHADMP CC(C)c1cccc(S(=O)(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000431918179 978600135 /nfs/dbraw/zinc/60/01/35/978600135.db2.gz FQWAEGJWQKOYJJ-UHFFFAOYSA-N 2 1 421.651 3.627 20 0 HHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000432423215 978805499 /nfs/dbraw/zinc/80/54/99/978805499.db2.gz XBCKTJPJRSLFOI-OALUTQOASA-N 2 1 408.608 3.554 20 0 HHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000432423215 978805502 /nfs/dbraw/zinc/80/55/02/978805502.db2.gz XBCKTJPJRSLFOI-OALUTQOASA-N 2 1 408.608 3.554 20 0 HHADMP COc1cc(C[NH+]2CCC[C@H]3COCC[C@@H]32)cc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000432824444 978985759 /nfs/dbraw/zinc/98/57/59/978985759.db2.gz SYGYEGLSEZMZKM-VRUIKYSZSA-N 2 1 414.590 3.697 20 0 HHADMP COc1cc(C[NH+]2CCC[C@@H]3COCC[C@@H]32)cc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1 ZINC000432824444 978985763 /nfs/dbraw/zinc/98/57/63/978985763.db2.gz SYGYEGLSEZMZKM-VRUIKYSZSA-N 2 1 414.590 3.697 20 0 HHADMP COc1cc(C[NH+]2CCC[C@@H]3COCC[C@@H]32)cc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c1 ZINC000432824444 978985765 /nfs/dbraw/zinc/98/57/65/978985765.db2.gz SYGYEGLSEZMZKM-VRUIKYSZSA-N 2 1 414.590 3.697 20 0 HHADMP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N1CCc2ccccc2C1 ZINC000433061017 979055060 /nfs/dbraw/zinc/05/50/60/979055060.db2.gz NOOJANQGYAVXPM-UHFFFAOYSA-N 2 1 403.570 3.559 20 0 HHADMP COc1ccccc1COC[C@@H](O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433192215 979131731 /nfs/dbraw/zinc/13/17/31/979131731.db2.gz KEKCSXOYMIOGIB-DEOSSOPVSA-N 2 1 424.585 3.561 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433258405 979192190 /nfs/dbraw/zinc/19/21/90/979192190.db2.gz OXRNLZHSHFAGFH-SFHVURJKSA-N 2 1 419.367 3.726 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433258405 979192192 /nfs/dbraw/zinc/19/21/92/979192192.db2.gz OXRNLZHSHFAGFH-SFHVURJKSA-N 2 1 419.367 3.726 20 0 HHADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000433366006 979258102 /nfs/dbraw/zinc/25/81/02/979258102.db2.gz NJVJQSNAULLCAQ-HRAATJIYSA-N 2 1 403.929 3.964 20 0 HHADMP O=C(NC[C@H]1CCCC[NH+]1C1CC1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000434449240 980188625 /nfs/dbraw/zinc/18/86/25/980188625.db2.gz WOOWLAYYNVOHOL-TZIWHRDSSA-N 2 1 409.496 3.574 20 0 HHADMP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000434449240 980188629 /nfs/dbraw/zinc/18/86/29/980188629.db2.gz WOOWLAYYNVOHOL-TZIWHRDSSA-N 2 1 409.496 3.574 20 0 HHADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000434449240 980188632 /nfs/dbraw/zinc/18/86/32/980188632.db2.gz WOOWLAYYNVOHOL-TZIWHRDSSA-N 2 1 409.496 3.574 20 0 HHADMP Cc1cc(NC(=O)c2cccc(C[NH+](C)C)c2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435692777 980989341 /nfs/dbraw/zinc/98/93/41/980989341.db2.gz KBUMESRYOUCMJG-HSZRJFAPSA-N 2 1 417.557 3.952 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CC[C@H](Cc4ccccc4)C3)c2)C1 ZINC000436227602 981259320 /nfs/dbraw/zinc/25/93/20/981259320.db2.gz MPAKCKOJJDNPDK-SDUSCBPUSA-N 2 1 405.586 3.885 20 0 HHADMP O=C1c2ccccc2C(=O)N1C1CCC([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000436278801 981281434 /nfs/dbraw/zinc/28/14/34/981281434.db2.gz DTPBJZVWUPVADC-UHFFFAOYSA-N 2 1 417.553 3.632 20 0 HHADMP O=C1c2ccccc2C(=O)N1C1CCC([NH2+]CCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000436278801 981281437 /nfs/dbraw/zinc/28/14/37/981281437.db2.gz DTPBJZVWUPVADC-UHFFFAOYSA-N 2 1 417.553 3.632 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000436284439 981283354 /nfs/dbraw/zinc/28/33/54/981283354.db2.gz ZOCJAMXRLQFYDZ-LADGPHEKSA-N 2 1 421.585 3.848 20 0 HHADMP CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC(Cc4[nH+]ccn4C)CC3)cc2)CC1 ZINC000448197191 981609621 /nfs/dbraw/zinc/60/96/21/981609621.db2.gz CRSGCWNVLFISQP-UHFFFAOYSA-N 2 1 423.605 3.816 20 0 HHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000448212837 981627159 /nfs/dbraw/zinc/62/71/59/981627159.db2.gz MEQYXFXDBNBHBM-IPJJNNNSSA-N 2 1 416.635 3.618 20 0 HHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448212837 981627162 /nfs/dbraw/zinc/62/71/62/981627162.db2.gz MEQYXFXDBNBHBM-IPJJNNNSSA-N 2 1 416.635 3.618 20 0 HHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448212837 981627166 /nfs/dbraw/zinc/62/71/66/981627166.db2.gz MEQYXFXDBNBHBM-IPJJNNNSSA-N 2 1 416.635 3.618 20 0 HHADMP O=C(NCc1ccccc1C[NH+]1CCCCC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448213679 981627839 /nfs/dbraw/zinc/62/78/39/981627839.db2.gz NGRWJUMYLRBBQX-UPVQGACJSA-N 2 1 410.606 3.831 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc([C@H](C)N3CCOCC3)c2)C1 ZINC000448369638 981729077 /nfs/dbraw/zinc/72/90/77/981729077.db2.gz APLMSQIIOZJWSA-VQTJNVASSA-N 2 1 402.583 3.569 20 0 HHADMP C[C@H](c1cccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1)N1CCOCC1 ZINC000448371255 981730347 /nfs/dbraw/zinc/73/03/47/981730347.db2.gz MJURFIRPWPIHLF-RFWXGWTQSA-N 2 1 412.578 3.560 20 0 HHADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448410870 981762633 /nfs/dbraw/zinc/76/26/33/981762633.db2.gz QODYRXIYBAKHNU-KNQAVFIVSA-N 2 1 414.619 3.716 20 0 HHADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448410870 981762636 /nfs/dbraw/zinc/76/26/36/981762636.db2.gz QODYRXIYBAKHNU-KNQAVFIVSA-N 2 1 414.619 3.716 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)[C@@H](C)C1 ZINC000448460850 981794536 /nfs/dbraw/zinc/79/45/36/981794536.db2.gz GLOLSTOIAWORNK-REWPJTCUSA-N 2 1 400.611 3.934 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000448462492 981796286 /nfs/dbraw/zinc/79/62/86/981796286.db2.gz UOCVMCQUEQTSMB-FQEVSTJZSA-N 2 1 421.029 3.972 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000448519929 981848819 /nfs/dbraw/zinc/84/88/19/981848819.db2.gz GRHRPPPGXFAHBV-LFSJDZJKSA-N 2 1 424.633 3.801 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448519929 981848825 /nfs/dbraw/zinc/84/88/25/981848825.db2.gz GRHRPPPGXFAHBV-LFSJDZJKSA-N 2 1 424.633 3.801 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448519929 981848833 /nfs/dbraw/zinc/84/88/33/981848833.db2.gz GRHRPPPGXFAHBV-LFSJDZJKSA-N 2 1 424.633 3.801 20 0 HHADMP Cc1ccc(NC(=O)NC(=O)CN[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000460348085 982119687 /nfs/dbraw/zinc/11/96/87/982119687.db2.gz OHGNULMKFDOMLA-GZOXUSKESA-N 2 1 422.573 3.698 20 0 HHADMP Cc1ccc(NC(=O)NC(=O)C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000460348085 982119693 /nfs/dbraw/zinc/11/96/93/982119693.db2.gz OHGNULMKFDOMLA-GZOXUSKESA-N 2 1 422.573 3.698 20 0 HHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](CCC(F)(F)F)CC2CC2)CC1 ZINC000437500693 982127505 /nfs/dbraw/zinc/12/75/05/982127505.db2.gz VTFFKWRNKISGQZ-UHFFFAOYSA-N 2 1 411.512 3.694 20 0 HHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](CCC(F)(F)F)CC2CC2)CC1 ZINC000437500693 982127511 /nfs/dbraw/zinc/12/75/11/982127511.db2.gz VTFFKWRNKISGQZ-UHFFFAOYSA-N 2 1 411.512 3.694 20 0 HHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](CCC(F)(F)F)CC2CC2)CC1 ZINC000437500693 982127514 /nfs/dbraw/zinc/12/75/14/982127514.db2.gz VTFFKWRNKISGQZ-UHFFFAOYSA-N 2 1 411.512 3.694 20 0 HHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](CCC(F)(F)F)CC2CC2)CC1 ZINC000437500693 982127519 /nfs/dbraw/zinc/12/75/19/982127519.db2.gz VTFFKWRNKISGQZ-UHFFFAOYSA-N 2 1 411.512 3.694 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000437765327 982343000 /nfs/dbraw/zinc/34/30/00/982343000.db2.gz ONZMYYKJOUYBLT-NRFANRHFSA-N 2 1 410.562 3.613 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000437952098 982483129 /nfs/dbraw/zinc/48/31/29/982483129.db2.gz XDAAGLAZIHVORH-OAHLLOKOSA-N 2 1 404.452 3.724 20 0 HHADMP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000438083892 982578377 /nfs/dbraw/zinc/57/83/77/982578377.db2.gz WWWYYIHCLYCBRF-JOCHJYFZSA-N 2 1 416.635 3.664 20 0 HHADMP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000438185810 982639263 /nfs/dbraw/zinc/63/92/63/982639263.db2.gz FEUIVFPTYBCZJR-NOOIUNMQSA-N 2 1 405.586 3.984 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N(CC[NH+](C)C)Cc3cccs3)cc2)C[C@@H](C)O1 ZINC000438529406 982868278 /nfs/dbraw/zinc/86/82/78/982868278.db2.gz JHZYBBHFEYOOTD-RTBURBONSA-N 2 1 415.603 3.561 20 0 HHADMP C[C@H](NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000461209933 982923546 /nfs/dbraw/zinc/92/35/46/982923546.db2.gz CKFKKXNVYFYDHO-OXCBMLQPSA-N 2 1 420.601 3.841 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000461226597 982936404 /nfs/dbraw/zinc/93/64/04/982936404.db2.gz AQCBDPDOORZASR-NRFANRHFSA-N 2 1 411.512 3.679 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1CC(F)(F)F ZINC000438635009 982954265 /nfs/dbraw/zinc/95/42/65/982954265.db2.gz ZTWAZBDKSQEIAA-KRWDZBQOSA-N 2 1 400.489 3.671 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000438849933 983116499 /nfs/dbraw/zinc/11/64/99/983116499.db2.gz LBZULOOPQNTPOE-UXHICEINSA-N 2 1 401.599 3.561 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000438849934 983116536 /nfs/dbraw/zinc/11/65/36/983116536.db2.gz LBZULOOPQNTPOE-VQTJNVASSA-N 2 1 401.599 3.561 20 0 HHADMP C[N@H+](Cc1ccccc1NC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000439237350 983324290 /nfs/dbraw/zinc/32/42/90/983324290.db2.gz MPMIPXRLTRQWLS-HXUWFJFHSA-N 2 1 414.594 3.637 20 0 HHADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000439237350 983324293 /nfs/dbraw/zinc/32/42/93/983324293.db2.gz MPMIPXRLTRQWLS-HXUWFJFHSA-N 2 1 414.594 3.637 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000439448457 983414295 /nfs/dbraw/zinc/41/42/95/983414295.db2.gz ZKPHOBPNPUZQJG-FPOVZHCZSA-N 2 1 414.619 3.874 20 0 HHADMP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000440065835 983630444 /nfs/dbraw/zinc/63/04/44/983630444.db2.gz WDGSFLUZSOEVOQ-HSZRJFAPSA-N 2 1 418.528 3.894 20 0 HHADMP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)C[N@@H+]1C1CC1 ZINC000440998309 984017209 /nfs/dbraw/zinc/01/72/09/984017209.db2.gz AWJNHEQWETVLRD-KXBFYZLASA-N 2 1 424.511 3.594 20 0 HHADMP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)C[N@H+]1C1CC1 ZINC000440998309 984017216 /nfs/dbraw/zinc/01/72/16/984017216.db2.gz AWJNHEQWETVLRD-KXBFYZLASA-N 2 1 424.511 3.594 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000441192131 984107589 /nfs/dbraw/zinc/10/75/89/984107589.db2.gz DBFPHCKDYHROIO-FGCOXFRFSA-N 2 1 407.558 3.866 20 0 HHADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1(C)C ZINC000441381734 984220685 /nfs/dbraw/zinc/22/06/85/984220685.db2.gz JBWPOQIQPDCHFZ-UHFFFAOYSA-N 2 1 408.306 3.584 20 0 HHADMP CN(c1ccccc1C[NH2+]Cc1ccncc1OCC(F)F)C1CC[NH+](C)CC1 ZINC000441389065 984225112 /nfs/dbraw/zinc/22/51/12/984225112.db2.gz UHKMGAJHFVEIAE-UHFFFAOYSA-N 2 1 404.505 3.546 20 0 HHADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)Nc3cccc(CC[NH+](C)C4CC4)c3)c2C1 ZINC000442072578 984622557 /nfs/dbraw/zinc/62/25/57/984622557.db2.gz GQURRNWHRKXHSF-UHFFFAOYSA-N 2 1 420.557 3.626 20 0 HHADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)Nc3cccc(CC[NH+](C)C4CC4)c3)c2C1 ZINC000442072578 984622562 /nfs/dbraw/zinc/62/25/62/984622562.db2.gz GQURRNWHRKXHSF-UHFFFAOYSA-N 2 1 420.557 3.626 20 0 HHADMP CCC[NH+]1Cc2cccc(NC(=O)C(=O)Nc3cccc(CC[N@H+](C)C4CC4)c3)c2C1 ZINC000442072578 984622565 /nfs/dbraw/zinc/62/25/65/984622565.db2.gz GQURRNWHRKXHSF-UHFFFAOYSA-N 2 1 420.557 3.626 20 0 HHADMP CCC[NH+]1Cc2cccc(NC(=O)C(=O)Nc3cccc(CC[N@@H+](C)C4CC4)c3)c2C1 ZINC000442072578 984622569 /nfs/dbraw/zinc/62/25/69/984622569.db2.gz GQURRNWHRKXHSF-UHFFFAOYSA-N 2 1 420.557 3.626 20 0 HHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000461730524 984745018 /nfs/dbraw/zinc/74/50/18/984745018.db2.gz RQTJGSNSQKAHFQ-OAQYLSRUSA-N 2 1 408.590 3.813 20 0 HHADMP CCN(C(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000442247485 984769085 /nfs/dbraw/zinc/76/90/85/984769085.db2.gz DNRDMXKWDHDFJJ-NFXUCOAQSA-N 2 1 400.611 3.974 20 0 HHADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000461894338 984915174 /nfs/dbraw/zinc/91/51/74/984915174.db2.gz JQEOZDXNQMFEFS-QHCPKHFHSA-N 2 1 409.574 3.767 20 0 HHADMP Cc1cc(CNC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc(N2CCCC2)[nH+]1 ZINC000462261509 985248797 /nfs/dbraw/zinc/24/87/97/985248797.db2.gz RHMFVZPWWVYGJF-NRFANRHFSA-N 2 1 413.610 3.644 20 0 HHADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000442874811 985254079 /nfs/dbraw/zinc/25/40/79/985254079.db2.gz NYLCEDXCBVMHFA-CYBMUJFWSA-N 2 1 407.452 3.566 20 0 HHADMP CCN(C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462269590 985259518 /nfs/dbraw/zinc/25/95/18/985259518.db2.gz SIAIQXIPWYHZRS-QHCPKHFHSA-N 2 1 421.589 3.796 20 0 HHADMP CCN(C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462269590 985259532 /nfs/dbraw/zinc/25/95/32/985259532.db2.gz SIAIQXIPWYHZRS-QHCPKHFHSA-N 2 1 421.589 3.796 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1F ZINC000462307179 985292983 /nfs/dbraw/zinc/29/29/83/985292983.db2.gz DOZVUAXCBJBLRD-VGSWGCGISA-N 2 1 421.520 3.640 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1F ZINC000462307179 985292996 /nfs/dbraw/zinc/29/29/96/985292996.db2.gz DOZVUAXCBJBLRD-VGSWGCGISA-N 2 1 421.520 3.640 20 0 HHADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000462749556 985690939 /nfs/dbraw/zinc/69/09/39/985690939.db2.gz JQWDMCUBJGIPTQ-BJKOFHAPSA-N 2 1 412.622 3.949 20 0 HHADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000462749559 985691518 /nfs/dbraw/zinc/69/15/18/985691518.db2.gz JQWDMCUBJGIPTQ-ZEQRLZLVSA-N 2 1 412.622 3.949 20 0 HHADMP C[C@H](C[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1)N1CCN(C)CC1 ZINC000462801726 985734392 /nfs/dbraw/zinc/73/43/92/985734392.db2.gz INTSJSAIWHPJME-QPPBQGQZSA-N 2 1 404.618 3.604 20 0 HHADMP CC1CC[NH+](CCC[C@@H]([NH2+]CCCN2CCN(C)CC2)c2ccc(F)cc2)CC1 ZINC000462883807 985808116 /nfs/dbraw/zinc/80/81/16/985808116.db2.gz YABIQZXHGZVDNZ-XMMPIXPASA-N 2 1 404.618 3.606 20 0 HHADMP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)N1CCN(c2ccccc2)CC1 ZINC000463138204 986107360 /nfs/dbraw/zinc/10/73/60/986107360.db2.gz BMYFYUYAKGXECE-QFIPXVFZSA-N 2 1 424.608 3.633 20 0 HHADMP FC(F)(F)c1ccc(NCCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)nc1 ZINC000463145065 986114173 /nfs/dbraw/zinc/11/41/73/986114173.db2.gz RKQZCVQRXSKBAR-UHFFFAOYSA-N 2 1 406.496 4.199 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463153211 986123970 /nfs/dbraw/zinc/12/39/70/986123970.db2.gz AUJQGDBIDVLFIR-BWKNWUBXSA-N 3 1 407.602 3.786 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463153211 986123976 /nfs/dbraw/zinc/12/39/76/986123976.db2.gz AUJQGDBIDVLFIR-BWKNWUBXSA-N 3 1 407.602 3.786 20 0 HHADMP COc1cc(OC)cc(N2CC[C@@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC000463187449 986158806 /nfs/dbraw/zinc/15/88/06/986158806.db2.gz BIBZDMZBXKHMEZ-JOCHJYFZSA-N 2 1 409.574 3.579 20 0 HHADMP Fc1ccc(N2CCOCC2)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000463240188 986208273 /nfs/dbraw/zinc/20/82/73/986208273.db2.gz KSQFMBHDIWBSNA-CWAQXLGLSA-N 2 1 409.549 3.948 20 0 HHADMP Fc1ccc(N2CCOCC2)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000463240188 986208279 /nfs/dbraw/zinc/20/82/79/986208279.db2.gz KSQFMBHDIWBSNA-CWAQXLGLSA-N 2 1 409.549 3.948 20 0 HHADMP c1ccc(CC[NH+]2CCC(NC[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000463244049 986211938 /nfs/dbraw/zinc/21/19/38/986211938.db2.gz SHQZPCZPKHQNFI-SANMLTNESA-N 2 1 407.602 3.574 20 0 HHADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000463244235 986212021 /nfs/dbraw/zinc/21/20/21/986212021.db2.gz WJTSGUXJKRNTFX-MRXNPFEDSA-N 2 1 410.400 3.682 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000463272486 986240313 /nfs/dbraw/zinc/24/03/13/986240313.db2.gz QNKIEUYDNREWLR-PXDATVDWSA-N 2 1 420.601 3.813 20 0 HHADMP C[C@@H](c1nccs1)N1CC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000468545415 986252004 /nfs/dbraw/zinc/25/20/04/986252004.db2.gz YOSZKPNKXRSNSM-IBGZPJMESA-N 2 1 413.635 3.552 20 0 HHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000463293888 986260986 /nfs/dbraw/zinc/26/09/86/986260986.db2.gz OMVYROOXAZLSTG-JTQLQIEISA-N 2 1 416.161 3.725 20 0 HHADMP Fc1ccc(N2CCN(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)cc1 ZINC000463298604 986265962 /nfs/dbraw/zinc/26/59/62/986265962.db2.gz DQLPMQSPMMYTNI-VORXZUAXSA-N 2 1 422.592 3.733 20 0 HHADMP O=C(C[N@@H+](C[C@@H]1CCCO1)C1CCCC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000444205264 986385710 /nfs/dbraw/zinc/38/57/10/986385710.db2.gz LVDYTEVMDQIJAL-QFIPXVFZSA-N 2 1 417.619 3.598 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000444335189 986513230 /nfs/dbraw/zinc/51/32/30/986513230.db2.gz FREOHLOAQNMXTD-XMSQKQJNSA-N 2 1 403.530 3.815 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000444335189 986513247 /nfs/dbraw/zinc/51/32/47/986513247.db2.gz FREOHLOAQNMXTD-XMSQKQJNSA-N 2 1 403.530 3.815 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000444343689 986523126 /nfs/dbraw/zinc/52/31/26/986523126.db2.gz MTGCGGOPSAFDSW-IBGZPJMESA-N 2 1 417.557 3.989 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000444343689 986523132 /nfs/dbraw/zinc/52/31/32/986523132.db2.gz MTGCGGOPSAFDSW-IBGZPJMESA-N 2 1 417.557 3.989 20 0 HHADMP O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000444460975 986642807 /nfs/dbraw/zinc/64/28/07/986642807.db2.gz MXMNFEWSPVMGET-DEOSSOPVSA-N 2 1 407.558 3.637 20 0 HHADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000468988737 986694399 /nfs/dbraw/zinc/69/43/99/986694399.db2.gz KMZSWLNHVZDRRO-UHFFFAOYSA-N 2 1 411.550 3.850 20 0 HHADMP CC[N@H+]1CC[C@@H]([NH2+]CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@H](C)C1 ZINC000469039727 986749440 /nfs/dbraw/zinc/74/94/40/986749440.db2.gz PIFXHPNKOJVCBI-WIYYLYMNSA-N 2 1 412.544 3.537 20 0 HHADMP O=C(Nc1ccccc1Br)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000444598033 986785560 /nfs/dbraw/zinc/78/55/60/986785560.db2.gz OFPMTWQKEUXHHW-UHFFFAOYSA-N 2 1 408.384 3.976 20 0 HHADMP C[NH+](C)CCCOc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000469086130 986798978 /nfs/dbraw/zinc/79/89/78/986798978.db2.gz WPFQYQYYYDTFSF-DEOSSOPVSA-N 2 1 409.574 3.688 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)[NH+]1CCCCCC1 ZINC000469152622 986876179 /nfs/dbraw/zinc/87/61/79/986876179.db2.gz PTICSQQPLSYBRY-LJQANCHMSA-N 2 1 410.562 3.687 20 0 HHADMP CC[N@H+]1CC[C@@H]([NH2+]CCSCCOc2cccc(Br)c2)[C@H](C)C1 ZINC000469309736 987022220 /nfs/dbraw/zinc/02/22/20/987022220.db2.gz ZLOVZUOFURIAGC-CRAIPNDOSA-N 2 1 401.414 3.881 20 0 HHADMP C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000469335987 987043257 /nfs/dbraw/zinc/04/32/57/987043257.db2.gz PBRBCTNOKWEPFB-BJKOFHAPSA-N 2 1 423.988 3.934 20 0 HHADMP C[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000469335987 987043267 /nfs/dbraw/zinc/04/32/67/987043267.db2.gz PBRBCTNOKWEPFB-BJKOFHAPSA-N 2 1 423.988 3.934 20 0 HHADMP C[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000469335987 987043278 /nfs/dbraw/zinc/04/32/78/987043278.db2.gz PBRBCTNOKWEPFB-BJKOFHAPSA-N 2 1 423.988 3.934 20 0 HHADMP C[NH+](C)CCc1ccc(CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cc1 ZINC000469486085 987167335 /nfs/dbraw/zinc/16/73/35/987167335.db2.gz OVQBWYWPRFFFLS-QFIPXVFZSA-N 2 1 408.590 3.914 20 0 HHADMP O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000469547399 987220190 /nfs/dbraw/zinc/22/01/90/987220190.db2.gz PKSGZQDDCZZSCR-UHFFFAOYSA-N 2 1 403.477 3.732 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(C)c1Br ZINC000469595256 987260346 /nfs/dbraw/zinc/26/03/46/987260346.db2.gz REULAPNIPJYHCK-MRXNPFEDSA-N 2 1 411.388 3.637 20 0 HHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000469733294 987384373 /nfs/dbraw/zinc/38/43/73/987384373.db2.gz JEWXLZKTORRJRF-OAHLLOKOSA-N 2 1 416.393 3.682 20 0 HHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000469733294 987384386 /nfs/dbraw/zinc/38/43/86/987384386.db2.gz JEWXLZKTORRJRF-OAHLLOKOSA-N 2 1 416.393 3.682 20 0 HHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC[C@H](C(F)(F)F)C3(C)C)CC2)cc1 ZINC000470005440 987618161 /nfs/dbraw/zinc/61/81/61/987618161.db2.gz XUFZZNBELLFDOD-IBGZPJMESA-N 2 1 411.512 3.692 20 0 HHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC[C@H](C(F)(F)F)C3(C)C)CC2)cc1 ZINC000470005440 987618163 /nfs/dbraw/zinc/61/81/63/987618163.db2.gz XUFZZNBELLFDOD-IBGZPJMESA-N 2 1 411.512 3.692 20 0 HHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CC[C@H](C(F)(F)F)C3(C)C)CC2)cc1 ZINC000470005440 987618167 /nfs/dbraw/zinc/61/81/67/987618167.db2.gz XUFZZNBELLFDOD-IBGZPJMESA-N 2 1 411.512 3.692 20 0 HHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CC[C@H](C(F)(F)F)C3(C)C)CC2)cc1 ZINC000470005440 987618171 /nfs/dbraw/zinc/61/81/71/987618171.db2.gz XUFZZNBELLFDOD-IBGZPJMESA-N 2 1 411.512 3.692 20 0 HHADMP Nc1c(Br)cc(Br)cc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000470052313 987942322 /nfs/dbraw/zinc/94/23/22/987942322.db2.gz ZILBFECOCVXERP-UHFFFAOYSA-N 2 1 417.189 3.900 20 0 HHADMP C[C@H]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000463956190 988068020 /nfs/dbraw/zinc/06/80/20/988068020.db2.gz XQOXNINHYXFBQB-ICSRJNTNSA-N 2 1 400.592 3.657 20 0 HHADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000470183829 988099783 /nfs/dbraw/zinc/09/97/83/988099783.db2.gz PGDLEPWLWZERBD-LLVKDONJSA-N 2 1 405.178 3.615 20 0 HHADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000470183829 988099795 /nfs/dbraw/zinc/09/97/95/988099795.db2.gz PGDLEPWLWZERBD-LLVKDONJSA-N 2 1 405.178 3.615 20 0 HHADMP Clc1ccc(Br)c(CNCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000464046229 988167056 /nfs/dbraw/zinc/16/70/56/988167056.db2.gz OVZABVNCDQTBTF-UHFFFAOYSA-N 2 1 423.786 3.799 20 0 HHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000470284904 988241825 /nfs/dbraw/zinc/24/18/25/988241825.db2.gz SAPSYLFZKAKGFM-QHCPKHFHSA-N 2 1 400.611 3.803 20 0 HHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000470737614 988773395 /nfs/dbraw/zinc/77/33/95/988773395.db2.gz QOMQTUADAJAULA-FQEVSTJZSA-N 2 1 419.013 3.678 20 0 HHADMP CN(C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470739028 988776539 /nfs/dbraw/zinc/77/65/39/988776539.db2.gz XVVCOLICCJSKON-GOTSBHOMSA-N 2 1 412.553 3.734 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000470747941 988788523 /nfs/dbraw/zinc/78/85/23/988788523.db2.gz UKQXWDFRKSKVLV-GMAHTHKFSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@H]1CCC[NH+](CCCCNC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000470747941 988788535 /nfs/dbraw/zinc/78/85/35/988788535.db2.gz UKQXWDFRKSKVLV-GMAHTHKFSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@H]1CCC[NH+](CCCCNC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000470747941 988788548 /nfs/dbraw/zinc/78/85/48/988788548.db2.gz UKQXWDFRKSKVLV-GMAHTHKFSA-N 2 1 400.611 3.805 20 0 HHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000470886806 988958706 /nfs/dbraw/zinc/95/87/06/988958706.db2.gz WZRDWHAZEJNVIV-XALAGWIPSA-N 2 1 410.606 3.555 20 0 HHADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000470886806 988958715 /nfs/dbraw/zinc/95/87/15/988958715.db2.gz WZRDWHAZEJNVIV-XALAGWIPSA-N 2 1 410.606 3.555 20 0 HHADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000470886806 988958724 /nfs/dbraw/zinc/95/87/24/988958724.db2.gz WZRDWHAZEJNVIV-XALAGWIPSA-N 2 1 410.606 3.555 20 0 HHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000470891238 988964042 /nfs/dbraw/zinc/96/40/42/988964042.db2.gz YTCBKFPRVCWMNX-ZVDOUQERSA-N 2 1 404.624 3.504 20 0 HHADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000470891238 988964046 /nfs/dbraw/zinc/96/40/46/988964046.db2.gz YTCBKFPRVCWMNX-ZVDOUQERSA-N 2 1 404.624 3.504 20 0 HHADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000470891238 988964048 /nfs/dbraw/zinc/96/40/48/988964048.db2.gz YTCBKFPRVCWMNX-ZVDOUQERSA-N 2 1 404.624 3.504 20 0 HHADMP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000471242528 989388021 /nfs/dbraw/zinc/38/80/21/989388021.db2.gz VADDERPKWVBQPJ-NRFANRHFSA-N 2 1 424.614 3.879 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000471242528 989388038 /nfs/dbraw/zinc/38/80/38/989388038.db2.gz VADDERPKWVBQPJ-NRFANRHFSA-N 2 1 424.614 3.879 20 0 HHADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471474745 989671127 /nfs/dbraw/zinc/67/11/27/989671127.db2.gz DSAQLRKARYSVDK-YADHBBJMSA-N 2 1 410.562 3.628 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000465407414 989753937 /nfs/dbraw/zinc/75/39/37/989753937.db2.gz MFURUTAPPFTVNN-PKTZIBPZSA-N 2 1 424.589 3.970 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000465407419 989753987 /nfs/dbraw/zinc/75/39/87/989753987.db2.gz MFURUTAPPFTVNN-XZOQPEGZSA-N 2 1 424.589 3.970 20 0 HHADMP C[C@@H](NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000471554828 989756169 /nfs/dbraw/zinc/75/61/69/989756169.db2.gz JQMTYOGLUXXTGJ-FIXDAVPBSA-N 2 1 409.574 3.717 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)[NH+](C)C ZINC000465429228 989773195 /nfs/dbraw/zinc/77/31/95/989773195.db2.gz FNEWKMHUSCLJMM-REWPJTCUSA-N 2 1 424.589 3.604 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+](C)C ZINC000465429228 989773199 /nfs/dbraw/zinc/77/31/99/989773199.db2.gz FNEWKMHUSCLJMM-REWPJTCUSA-N 2 1 424.589 3.604 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000471588527 989792424 /nfs/dbraw/zinc/79/24/24/989792424.db2.gz CGQDMBYPMJQLHT-HSZRJFAPSA-N 2 1 420.601 3.781 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000471598682 989802205 /nfs/dbraw/zinc/80/22/05/989802205.db2.gz LRQSDICNEGRMQZ-ISKFKSNPSA-N 2 1 406.574 3.645 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000471617352 989821654 /nfs/dbraw/zinc/82/16/54/989821654.db2.gz GBRZTVMWLIYQQM-GXSHZHGVSA-N 2 1 412.622 3.518 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000471617352 989821666 /nfs/dbraw/zinc/82/16/66/989821666.db2.gz GBRZTVMWLIYQQM-GXSHZHGVSA-N 2 1 412.622 3.518 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000471617352 989821679 /nfs/dbraw/zinc/82/16/79/989821679.db2.gz GBRZTVMWLIYQQM-GXSHZHGVSA-N 2 1 412.622 3.518 20 0 HHADMP C[C@H](CNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[NH+]1CCC[C@H](C)C1 ZINC000465524050 989878017 /nfs/dbraw/zinc/87/80/17/989878017.db2.gz CXWNOOZFROGXJL-VQTJNVASSA-N 2 1 412.578 3.831 20 0 HHADMP C[C@H](CNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[NH+]1CCC[C@H](C)C1 ZINC000465524050 989878024 /nfs/dbraw/zinc/87/80/24/989878024.db2.gz CXWNOOZFROGXJL-VQTJNVASSA-N 2 1 412.578 3.831 20 0 HHADMP C[C@H](CNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)[N@@H+]1CCC[C@H](C)C1 ZINC000465524050 989878029 /nfs/dbraw/zinc/87/80/29/989878029.db2.gz CXWNOOZFROGXJL-VQTJNVASSA-N 2 1 412.578 3.831 20 0 HHADMP C[C@H](CNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)[N@H+]1CCC[C@H](C)C1 ZINC000465524050 989878034 /nfs/dbraw/zinc/87/80/34/989878034.db2.gz CXWNOOZFROGXJL-VQTJNVASSA-N 2 1 412.578 3.831 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000465534235 989895501 /nfs/dbraw/zinc/89/55/01/989895501.db2.gz PDGILSKUPZAVLE-YWHXQDJNSA-N 2 1 412.622 3.979 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000465534235 989895508 /nfs/dbraw/zinc/89/55/08/989895508.db2.gz PDGILSKUPZAVLE-YWHXQDJNSA-N 2 1 412.622 3.979 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000465534235 989895525 /nfs/dbraw/zinc/89/55/25/989895525.db2.gz PDGILSKUPZAVLE-YWHXQDJNSA-N 2 1 412.622 3.979 20 0 HHADMP CC1CC[NH+](Cc2ccc(CNC(=O)N(C)CC[C@@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000465558489 989923458 /nfs/dbraw/zinc/92/34/58/989923458.db2.gz QDLLPIHCLKKXQK-QHCPKHFHSA-N 2 1 400.611 3.934 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)NC[C@@H](C(C)C)[NH+]3CCCCCC3)CC2)[nH+]c1 ZINC000465586173 989959784 /nfs/dbraw/zinc/95/97/84/989959784.db2.gz YQYADHGIOPERGW-NRFANRHFSA-N 2 1 401.599 3.559 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000465594673 989974824 /nfs/dbraw/zinc/97/48/24/989974824.db2.gz ILVQMJHWRDPQDZ-CTNGQTDRSA-N 2 1 404.599 3.592 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCc1csc2ccccc12 ZINC000465637422 990024285 /nfs/dbraw/zinc/02/42/85/990024285.db2.gz MLFMMEUUDZOLPL-LJQANCHMSA-N 2 1 402.608 3.501 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000465678637 990064041 /nfs/dbraw/zinc/06/40/41/990064041.db2.gz CHQVVULRQZMIOH-NZQKXSOJSA-N 2 1 412.553 3.592 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000465694784 990080833 /nfs/dbraw/zinc/08/08/33/990080833.db2.gz QHHHVTIVMGAXBP-DQEYMECFSA-N 2 1 420.601 3.815 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000465694784 990080847 /nfs/dbraw/zinc/08/08/47/990080847.db2.gz QHHHVTIVMGAXBP-DQEYMECFSA-N 2 1 420.601 3.815 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000465694784 990080858 /nfs/dbraw/zinc/08/08/58/990080858.db2.gz QHHHVTIVMGAXBP-DQEYMECFSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@@H]1CCC[C@@](CNC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)([NH+](C)C)C1 ZINC000465724758 990110208 /nfs/dbraw/zinc/11/02/08/990110208.db2.gz NZLLDKUGJTYJQT-JCTONOIOSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465745803 990131019 /nfs/dbraw/zinc/13/10/19/990131019.db2.gz GHGLDOSEIMVZPB-VTZPFEBOSA-N 2 1 420.601 3.985 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465745803 990131023 /nfs/dbraw/zinc/13/10/23/990131023.db2.gz GHGLDOSEIMVZPB-VTZPFEBOSA-N 2 1 420.601 3.985 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465745803 990131028 /nfs/dbraw/zinc/13/10/28/990131028.db2.gz GHGLDOSEIMVZPB-VTZPFEBOSA-N 2 1 420.601 3.985 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465753863 990140191 /nfs/dbraw/zinc/14/01/91/990140191.db2.gz KUGNDUZNKYXROR-XPNTWCBSSA-N 2 1 414.638 3.906 20 0 HHADMP C[C@H](CCNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000472009281 990177163 /nfs/dbraw/zinc/17/71/63/990177163.db2.gz MUTWESHYINPMMX-QPPBQGQZSA-N 2 1 408.590 3.718 20 0 HHADMP C[C@H](CCNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000472009281 990177171 /nfs/dbraw/zinc/17/71/71/990177171.db2.gz MUTWESHYINPMMX-QPPBQGQZSA-N 2 1 408.590 3.718 20 0 HHADMP C[C@H](CCNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000472009281 990177178 /nfs/dbraw/zinc/17/71/78/990177178.db2.gz MUTWESHYINPMMX-QPPBQGQZSA-N 2 1 408.590 3.718 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000465817612 990200880 /nfs/dbraw/zinc/20/08/80/990200880.db2.gz SZIRQIMRJLMBEF-XMMPIXPASA-N 2 1 408.590 3.802 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000465817612 990200886 /nfs/dbraw/zinc/20/08/86/990200886.db2.gz SZIRQIMRJLMBEF-XMMPIXPASA-N 2 1 408.590 3.802 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000465817612 990200893 /nfs/dbraw/zinc/20/08/93/990200893.db2.gz SZIRQIMRJLMBEF-XMMPIXPASA-N 2 1 408.590 3.802 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000465823515 990206646 /nfs/dbraw/zinc/20/66/46/990206646.db2.gz XWGXCSGALFCTEI-FCHUYYIVSA-N 2 1 412.578 3.826 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000465824628 990208738 /nfs/dbraw/zinc/20/87/38/990208738.db2.gz ZXVRZLWRABWGIO-LADGPHEKSA-N 2 1 408.590 3.761 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000465866416 990978091 /nfs/dbraw/zinc/97/80/91/990978091.db2.gz WDSMPGJGBJXBDI-IAGOWNOFSA-N 2 1 409.644 3.559 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCCC[NH+]2Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000465869165 990982199 /nfs/dbraw/zinc/98/21/99/990982199.db2.gz HEMHACMSKBVIKB-DUXKGJEZSA-N 2 1 407.002 3.819 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCCC[NH+]2Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000465869165 990982208 /nfs/dbraw/zinc/98/22/08/990982208.db2.gz HEMHACMSKBVIKB-DUXKGJEZSA-N 2 1 407.002 3.819 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC[NH+]1C ZINC000465869165 990982217 /nfs/dbraw/zinc/98/22/17/990982217.db2.gz HEMHACMSKBVIKB-DUXKGJEZSA-N 2 1 407.002 3.819 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC[NH+]1C ZINC000465869165 990982224 /nfs/dbraw/zinc/98/22/24/990982224.db2.gz HEMHACMSKBVIKB-DUXKGJEZSA-N 2 1 407.002 3.819 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000465879381 990997749 /nfs/dbraw/zinc/99/77/49/990997749.db2.gz ZBPKVINZVGDMQD-REWPJTCUSA-N 2 1 400.611 3.503 20 0 HHADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000465899852 991027268 /nfs/dbraw/zinc/02/72/68/991027268.db2.gz ZNQVYVZDYXMNAB-IBGZPJMESA-N 2 1 401.599 3.559 20 0 HHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000465899852 991027281 /nfs/dbraw/zinc/02/72/81/991027281.db2.gz ZNQVYVZDYXMNAB-IBGZPJMESA-N 2 1 401.599 3.559 20 0 HHADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000465911927 991043019 /nfs/dbraw/zinc/04/30/19/991043019.db2.gz SIRLYFJKBKIPHD-WOJBJXKFSA-N 2 1 412.578 3.974 20 0 HHADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000465911927 991043028 /nfs/dbraw/zinc/04/30/28/991043028.db2.gz SIRLYFJKBKIPHD-WOJBJXKFSA-N 2 1 412.578 3.974 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000466002756 991167106 /nfs/dbraw/zinc/16/71/06/991167106.db2.gz CVVUEGUINRIZJS-QFIPXVFZSA-N 2 1 410.562 3.681 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000466002756 991167108 /nfs/dbraw/zinc/16/71/08/991167108.db2.gz CVVUEGUINRIZJS-QFIPXVFZSA-N 2 1 410.562 3.681 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000466003986 991168012 /nfs/dbraw/zinc/16/80/12/991168012.db2.gz CBQGEDJGYZMSPD-JOCHJYFZSA-N 2 1 410.562 3.681 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000466003986 991168015 /nfs/dbraw/zinc/16/80/15/991168015.db2.gz CBQGEDJGYZMSPD-JOCHJYFZSA-N 2 1 410.562 3.681 20 0 HHADMP CCC[NH+]1CCC(N(C)C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CC1 ZINC000466003599 991168049 /nfs/dbraw/zinc/16/80/49/991168049.db2.gz HBNRCAJTCKGCKH-UHFFFAOYSA-N 2 1 412.578 3.927 20 0 HHADMP CCC[NH+]1CCC(N(C)C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CC1 ZINC000466003599 991168055 /nfs/dbraw/zinc/16/80/55/991168055.db2.gz HBNRCAJTCKGCKH-UHFFFAOYSA-N 2 1 412.578 3.927 20 0 HHADMP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000466004135 991169284 /nfs/dbraw/zinc/16/92/84/991169284.db2.gz IJCOCCUHWFUAAS-QFIPXVFZSA-N 2 1 412.578 3.927 20 0 HHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000466004135 991169292 /nfs/dbraw/zinc/16/92/92/991169292.db2.gz IJCOCCUHWFUAAS-QFIPXVFZSA-N 2 1 412.578 3.927 20 0 HHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000466004135 991169298 /nfs/dbraw/zinc/16/92/98/991169298.db2.gz IJCOCCUHWFUAAS-QFIPXVFZSA-N 2 1 412.578 3.927 20 0 HHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000466004135 991169301 /nfs/dbraw/zinc/16/93/01/991169301.db2.gz IJCOCCUHWFUAAS-QFIPXVFZSA-N 2 1 412.578 3.927 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000466011494 991177244 /nfs/dbraw/zinc/17/72/44/991177244.db2.gz BTXCFJPPGUAPFH-VXKWHMMOSA-N 2 1 402.627 3.906 20 0 HHADMP C[NH+](C)Cc1cc(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ccc1F ZINC000466024545 991194105 /nfs/dbraw/zinc/19/41/05/991194105.db2.gz DBGUQKKTMYBEAV-LAUBAEHRSA-N 2 1 418.582 3.831 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)[C@H]1c1cccs1 ZINC000466073885 991246518 /nfs/dbraw/zinc/24/65/18/991246518.db2.gz FLFWDCXWNFMOCO-QUCCMNQESA-N 2 1 406.640 3.894 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)[C@@H]1c1cccs1 ZINC000466073658 991246729 /nfs/dbraw/zinc/24/67/29/991246729.db2.gz DKIVWGXNWBAVJW-SFHLNBCPSA-N 2 1 404.624 3.695 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)[C@@H]1c1cccs1 ZINC000466073658 991246737 /nfs/dbraw/zinc/24/67/37/991246737.db2.gz DKIVWGXNWBAVJW-SFHLNBCPSA-N 2 1 404.624 3.695 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)[C@@H]1c1cccs1 ZINC000466073658 991246747 /nfs/dbraw/zinc/24/67/47/991246747.db2.gz DKIVWGXNWBAVJW-SFHLNBCPSA-N 2 1 404.624 3.695 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000466199557 991396796 /nfs/dbraw/zinc/39/67/96/991396796.db2.gz FDTYNGBGHCYSLR-DVECYGJZSA-N 2 1 424.564 3.752 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000466289122 991538209 /nfs/dbraw/zinc/53/82/09/991538209.db2.gz TXKKXEFOMWEQMS-QDSKXPNFSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000466289122 991538220 /nfs/dbraw/zinc/53/82/20/991538220.db2.gz TXKKXEFOMWEQMS-QDSKXPNFSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000466289122 991538231 /nfs/dbraw/zinc/53/82/31/991538231.db2.gz TXKKXEFOMWEQMS-QDSKXPNFSA-N 2 1 412.622 3.945 20 0 HHADMP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466295929 991546359 /nfs/dbraw/zinc/54/63/59/991546359.db2.gz FFUVQMPNKQWQGW-OAQYLSRUSA-N 2 1 407.002 3.678 20 0 HHADMP C[C@H]1C[C@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000466525164 991820508 /nfs/dbraw/zinc/82/05/08/991820508.db2.gz GIJQWQRWPMPMAT-URXFXBBRSA-N 2 1 420.601 3.955 20 0 HHADMP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000466541535 991847307 /nfs/dbraw/zinc/84/73/07/991847307.db2.gz RQQANMVALIPJKB-IRLDBZIGSA-N 2 1 421.589 3.613 20 0 HHADMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000466723430 992034508 /nfs/dbraw/zinc/03/45/08/992034508.db2.gz UHIOYFUBHURUBQ-INIZCTEOSA-N 2 1 415.500 3.855 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(CC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000466783728 992091394 /nfs/dbraw/zinc/09/13/94/992091394.db2.gz ZQVQVALMZYVVKJ-YKSBVNFPSA-N 2 1 408.590 3.643 20 0 HHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccn(-c4ccc(Cl)cc4)n3)CC2)C[C@H](C)O1 ZINC000466813634 992121917 /nfs/dbraw/zinc/12/19/17/992121917.db2.gz GQQJRLICLKJERR-ROUUACIJSA-N 2 1 402.970 3.847 20 0 HHADMP COc1cccc(-c2nc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)cs2)c1 ZINC000466922339 992235277 /nfs/dbraw/zinc/23/52/77/992235277.db2.gz WXKGRRHBGLZSIG-UHFFFAOYSA-N 2 1 401.576 3.896 20 0 HHADMP COCCc1ccccc1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000466944287 992255230 /nfs/dbraw/zinc/25/52/30/992255230.db2.gz NDIPZLSBKUIJGH-UHFFFAOYSA-N 2 1 416.610 3.536 20 0 HHADMP O=C1c2ccccc2CCN1CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000467361880 992680523 /nfs/dbraw/zinc/68/05/23/992680523.db2.gz KJWZQGRKTWBAQQ-ZKMPZPQNSA-N 2 1 403.570 3.575 20 0 HHADMP Cc1ccc(NC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000467468095 992760477 /nfs/dbraw/zinc/76/04/77/992760477.db2.gz QLLLDIWHNRNYLF-PZJWPPBQSA-N 2 1 410.562 3.720 20 0 HHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000467585196 992860873 /nfs/dbraw/zinc/86/08/73/992860873.db2.gz ZVPRANZTZWTBBX-UXHICEINSA-N 2 1 402.583 3.886 20 0 HHADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1ccc([C@@H](C)N3CCOCC3)cc1)CC2 ZINC000467695372 992951844 /nfs/dbraw/zinc/95/18/44/992951844.db2.gz QXKLKWDWDHPDMQ-QIJUGHKUSA-N 2 1 400.567 3.559 20 0 HHADMP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1ccc([C@@H](C)[NH+]3CCOCC3)cc1)CC2 ZINC000467695372 992951855 /nfs/dbraw/zinc/95/18/55/992951855.db2.gz QXKLKWDWDHPDMQ-QIJUGHKUSA-N 2 1 400.567 3.559 20 0 HHADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1ccc([C@@H](C)[NH+]3CCOCC3)cc1)CC2 ZINC000467695372 992951866 /nfs/dbraw/zinc/95/18/66/992951866.db2.gz QXKLKWDWDHPDMQ-QIJUGHKUSA-N 2 1 400.567 3.559 20 0 HHADMP C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472114741 993166088 /nfs/dbraw/zinc/16/60/88/993166088.db2.gz HHYZANCUXCQODG-TUSQITKMSA-N 2 1 420.601 3.718 20 0 HHADMP C[C@H](NC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472114741 993166094 /nfs/dbraw/zinc/16/60/94/993166094.db2.gz HHYZANCUXCQODG-TUSQITKMSA-N 2 1 420.601 3.718 20 0 HHADMP C[C@H](NC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472114741 993166102 /nfs/dbraw/zinc/16/61/02/993166102.db2.gz HHYZANCUXCQODG-TUSQITKMSA-N 2 1 420.601 3.718 20 0 HHADMP C[N@H+]1CC[C@@H](NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@H]1c1ccccc1 ZINC000472116375 993167987 /nfs/dbraw/zinc/16/79/87/993167987.db2.gz XIJMQZFUDGIYMM-NTFDOXNWSA-N 2 1 424.511 3.536 20 0 HHADMP Cc1ccc(N2CCC([NH2+][C@@H](C)CCCCN3C(=O)c4ccccc4C3=O)CC2)[nH+]c1 ZINC000472146927 993201559 /nfs/dbraw/zinc/20/15/59/993201559.db2.gz DQBQDHUDUCLHMR-IBGZPJMESA-N 2 1 420.557 3.803 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000472311385 993322820 /nfs/dbraw/zinc/32/28/20/993322820.db2.gz IEFDHTKBTNCZPJ-DNQXCXABSA-N 2 1 412.622 3.806 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000472486001 993488676 /nfs/dbraw/zinc/48/86/76/993488676.db2.gz ILQOJNDGVPZMOK-LADGPHEKSA-N 2 1 423.605 3.537 20 0 HHADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COc2cccc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000472575639 993543491 /nfs/dbraw/zinc/54/34/91/993543491.db2.gz VBVMIFTTWRCERN-FCEUIQTBSA-N 2 1 407.558 3.893 20 0 HHADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COc2cccc3[nH]ccc32)CC[N@H+]1Cc1ccccc1 ZINC000472575639 993543493 /nfs/dbraw/zinc/54/34/93/993543493.db2.gz VBVMIFTTWRCERN-FCEUIQTBSA-N 2 1 407.558 3.893 20 0 HHADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COc2cccc3[nH]ccc32)CC[NH+]1Cc1ccccc1 ZINC000472575639 993543497 /nfs/dbraw/zinc/54/34/97/993543497.db2.gz VBVMIFTTWRCERN-FCEUIQTBSA-N 2 1 407.558 3.893 20 0 HHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)COc2cccc3[nH]ccc32)CC[NH+]1Cc1ccccc1 ZINC000472575639 993543499 /nfs/dbraw/zinc/54/34/99/993543499.db2.gz VBVMIFTTWRCERN-FCEUIQTBSA-N 2 1 407.558 3.893 20 0 HHADMP O[C@H](COc1cccc2[nH]ccc21)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472584936 993547997 /nfs/dbraw/zinc/54/79/97/993547997.db2.gz YJNBJSRBPJEZQZ-NVQXNPDNSA-N 2 1 419.569 3.896 20 0 HHADMP O[C@H](COc1cccc2[nH]ccc21)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472584936 993548002 /nfs/dbraw/zinc/54/80/02/993548002.db2.gz YJNBJSRBPJEZQZ-NVQXNPDNSA-N 2 1 419.569 3.896 20 0 HHADMP O[C@H](COc1cccc2[nH]ccc21)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000472584936 993548007 /nfs/dbraw/zinc/54/80/07/993548007.db2.gz YJNBJSRBPJEZQZ-NVQXNPDNSA-N 2 1 419.569 3.896 20 0 HHADMP O[C@H](COc1cccc2[nH]ccc21)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000472584936 993548017 /nfs/dbraw/zinc/54/80/17/993548017.db2.gz YJNBJSRBPJEZQZ-NVQXNPDNSA-N 2 1 419.569 3.896 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)CC2(c3ccc(Br)cc3)CC2)CC1 ZINC000472599812 993555629 /nfs/dbraw/zinc/55/56/29/993555629.db2.gz WFTPVUNWZBKDAA-UHFFFAOYSA-N 2 1 408.428 3.829 20 0 HHADMP Ic1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CCCO2 ZINC000480743920 993610705 /nfs/dbraw/zinc/61/07/05/993610705.db2.gz IYKYLOLOZMENND-YQQAZPJKSA-N 2 1 412.315 3.721 20 0 HHADMP Ic1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CCCO2 ZINC000480743920 993610709 /nfs/dbraw/zinc/61/07/09/993610709.db2.gz IYKYLOLOZMENND-YQQAZPJKSA-N 2 1 412.315 3.721 20 0 HHADMP CC[C@H](c1ccc(Br)cc1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000472745373 993677080 /nfs/dbraw/zinc/67/70/80/993677080.db2.gz DIOXBICYUPKMBR-HXUWFJFHSA-N 2 1 422.411 3.776 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1 ZINC000480883266 993745678 /nfs/dbraw/zinc/74/56/78/993745678.db2.gz KJUIQKDCPJBFSI-HYBUGGRVSA-N 2 1 417.557 3.522 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1 ZINC000480883266 993745688 /nfs/dbraw/zinc/74/56/88/993745688.db2.gz KJUIQKDCPJBFSI-HYBUGGRVSA-N 2 1 417.557 3.522 20 0 HHADMP CCc1ccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)s1 ZINC000480888154 993749206 /nfs/dbraw/zinc/74/92/06/993749206.db2.gz WJICERSCMSXDRR-QGZVFWFLSA-N 2 1 401.576 3.822 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000480897583 993755328 /nfs/dbraw/zinc/75/53/28/993755328.db2.gz LKIGWFJVQHWXKC-GOSISDBHSA-N 2 1 406.574 3.515 20 0 HHADMP C[C@H](CCNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000473024565 993943300 /nfs/dbraw/zinc/94/33/00/993943300.db2.gz FVDMADOGBRIZNB-HXUWFJFHSA-N 2 1 412.578 3.796 20 0 HHADMP COc1ccc(Cl)cc1NC(=O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481175825 994005394 /nfs/dbraw/zinc/00/53/94/994005394.db2.gz NBCYFZXPZMHGHD-VQIMIIECSA-N 2 1 401.938 3.787 20 0 HHADMP COc1ccc(Cl)cc1NC(=O)CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481175817 994005454 /nfs/dbraw/zinc/00/54/54/994005454.db2.gz NBCYFZXPZMHGHD-LPHOPBHVSA-N 2 1 401.938 3.787 20 0 HHADMP COc1ccc(Cl)cc1NC(=O)CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481175813 994005721 /nfs/dbraw/zinc/00/57/21/994005721.db2.gz NBCYFZXPZMHGHD-APWZRJJASA-N 2 1 401.938 3.787 20 0 HHADMP C/C=C\c1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(OC)c1 ZINC000481202466 994036568 /nfs/dbraw/zinc/03/65/68/994036568.db2.gz SNVDDLNEQGNZKD-KOTUNDQASA-N 2 1 424.585 3.968 20 0 HHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)CC1 ZINC000481307736 994124110 /nfs/dbraw/zinc/12/41/10/994124110.db2.gz KQJGOSXJTIRJDG-GOSISDBHSA-N 2 1 401.576 3.682 20 0 HHADMP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000473502558 994350872 /nfs/dbraw/zinc/35/08/72/994350872.db2.gz KKXBRZDYYXVMLE-FQEVSTJZSA-N 2 1 415.626 3.599 20 0 HHADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000473502558 994350880 /nfs/dbraw/zinc/35/08/80/994350880.db2.gz KKXBRZDYYXVMLE-FQEVSTJZSA-N 2 1 415.626 3.599 20 0 HHADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000473502558 994350888 /nfs/dbraw/zinc/35/08/88/994350888.db2.gz KKXBRZDYYXVMLE-FQEVSTJZSA-N 2 1 415.626 3.599 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3CC[N@H+]([C@@H](C)c4ccccc4)C3)c2)CC1 ZINC000473835362 994768957 /nfs/dbraw/zinc/76/89/57/994768957.db2.gz KMBZMZXDVNAMKI-NZQKXSOJSA-N 2 1 421.589 3.786 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000481907031 994778987 /nfs/dbraw/zinc/77/89/87/994778987.db2.gz GRCXKAQINAAHDC-LOSJGSFVSA-N 2 1 420.601 3.944 20 0 HHADMP COc1c(F)cc(F)cc1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000473846664 994783587 /nfs/dbraw/zinc/78/35/87/994783587.db2.gz ARRBFMICKKYJTN-UHFFFAOYSA-N 2 1 424.536 3.633 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cc(Cl)ccc3OC)C2)[C@@H](C)C1 ZINC000481932189 994803957 /nfs/dbraw/zinc/80/39/57/994803957.db2.gz MQLKSSSQIVLDII-SXLOBPIMSA-N 2 1 410.002 3.654 20 0 HHADMP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000473893333 994847249 /nfs/dbraw/zinc/84/72/49/994847249.db2.gz ARHDMPVASXSGJF-NRFANRHFSA-N 2 1 412.603 3.583 20 0 HHADMP CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000473893333 994847257 /nfs/dbraw/zinc/84/72/57/994847257.db2.gz ARHDMPVASXSGJF-NRFANRHFSA-N 2 1 412.603 3.583 20 0 HHADMP CN(CC[NH+](C)C1CC1)C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000473893333 994847269 /nfs/dbraw/zinc/84/72/69/994847269.db2.gz ARHDMPVASXSGJF-NRFANRHFSA-N 2 1 412.603 3.583 20 0 HHADMP CN(CC[NH+](C)C1CC1)C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000473893333 994847276 /nfs/dbraw/zinc/84/72/76/994847276.db2.gz ARHDMPVASXSGJF-NRFANRHFSA-N 2 1 412.603 3.583 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000473945372 994922098 /nfs/dbraw/zinc/92/20/98/994922098.db2.gz PAAGSQLSJDAZGR-GZOXUSKESA-N 2 1 408.590 3.704 20 0 HHADMP C[C@@H](CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1)[NH+]1CCCCC1 ZINC000474013818 995004103 /nfs/dbraw/zinc/00/41/03/995004103.db2.gz VENMOPZKCSGVTI-KRWDZBQOSA-N 2 1 410.400 3.640 20 0 HHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000482120848 995068385 /nfs/dbraw/zinc/06/83/85/995068385.db2.gz BOMHOFDFVGDTFW-KRWDZBQOSA-N 2 1 404.580 3.543 20 0 HHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)c1 ZINC000482256437 995234023 /nfs/dbraw/zinc/23/40/23/995234023.db2.gz HGBKQQCLFOYPAS-JOCHJYFZSA-N 2 1 402.510 3.786 20 0 HHADMP O=C(NC[C@H]1CC[NH+](CCc2ccccc2)C1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000474310319 995297135 /nfs/dbraw/zinc/29/71/35/995297135.db2.gz KHRUJCXFINRUSK-NOZRDPDXSA-N 2 1 423.576 3.861 20 0 HHADMP O=C(NC[C@H]1CC[NH+](CCc2ccccc2)C1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474310319 995297145 /nfs/dbraw/zinc/29/71/45/995297145.db2.gz KHRUJCXFINRUSK-NOZRDPDXSA-N 2 1 423.576 3.861 20 0 HHADMP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000474310319 995297152 /nfs/dbraw/zinc/29/71/52/995297152.db2.gz KHRUJCXFINRUSK-NOZRDPDXSA-N 2 1 423.576 3.861 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000474310319 995297163 /nfs/dbraw/zinc/29/71/63/995297163.db2.gz KHRUJCXFINRUSK-NOZRDPDXSA-N 2 1 423.576 3.861 20 0 HHADMP O=C(NC[C@H]1CC[NH+](CCc2ccccc2)C1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000474310318 995297403 /nfs/dbraw/zinc/29/74/03/995297403.db2.gz KHRUJCXFINRUSK-ILBGXUMGSA-N 2 1 423.576 3.861 20 0 HHADMP O=C(NC[C@H]1CC[NH+](CCc2ccccc2)C1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474310318 995297413 /nfs/dbraw/zinc/29/74/13/995297413.db2.gz KHRUJCXFINRUSK-ILBGXUMGSA-N 2 1 423.576 3.861 20 0 HHADMP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000474310318 995297426 /nfs/dbraw/zinc/29/74/26/995297426.db2.gz KHRUJCXFINRUSK-ILBGXUMGSA-N 2 1 423.576 3.861 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000474310318 995297437 /nfs/dbraw/zinc/29/74/37/995297437.db2.gz KHRUJCXFINRUSK-ILBGXUMGSA-N 2 1 423.576 3.861 20 0 HHADMP Cc1c([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cnn1-c1cccc(Cl)c1 ZINC000482349100 995327856 /nfs/dbraw/zinc/32/78/56/995327856.db2.gz HOZVEVFFLOWHJD-KRWDZBQOSA-N 2 1 404.002 3.758 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3ccnn3-c3ccc(F)cc3)cc2)C[C@H](C)O1 ZINC000474473238 995434167 /nfs/dbraw/zinc/43/41/67/995434167.db2.gz UBFLMSLLZZGRLD-KDURUIRLSA-N 2 1 408.521 3.910 20 0 HHADMP CCOC(=O)C1(C)CCC([NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000474474603 995435229 /nfs/dbraw/zinc/43/52/29/995435229.db2.gz WYZYEKYSAWHERQ-WABOPAKDSA-N 2 1 402.579 3.897 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cnc(-c3cnn(C)c3)nc2)C1 ZINC000474488442 995445452 /nfs/dbraw/zinc/44/54/52/995445452.db2.gz YCGVPHHIENFBMC-RTBURBONSA-N 2 1 404.562 3.645 20 0 HHADMP CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000482461485 995464987 /nfs/dbraw/zinc/46/49/87/995464987.db2.gz SMGUKMZEODDPKP-KRWDZBQOSA-N 2 1 421.511 3.700 20 0 HHADMP CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000482461485 995464992 /nfs/dbraw/zinc/46/49/92/995464992.db2.gz SMGUKMZEODDPKP-KRWDZBQOSA-N 2 1 421.511 3.700 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000474510093 995470690 /nfs/dbraw/zinc/47/06/90/995470690.db2.gz KDKBNOHUZMFZAR-NPHXMPSESA-N 2 1 400.611 3.659 20 0 HHADMP COC(=O)c1ccccc1-c1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)o1 ZINC000482514863 995524799 /nfs/dbraw/zinc/52/47/99/995524799.db2.gz ARZVPXWMSPBJNB-HXUWFJFHSA-N 2 1 420.509 3.590 20 0 HHADMP COC(=O)c1ccccc1-c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)o1 ZINC000482514863 995524806 /nfs/dbraw/zinc/52/48/06/995524806.db2.gz ARZVPXWMSPBJNB-HXUWFJFHSA-N 2 1 420.509 3.590 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@@H](Cc2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000482528848 995537252 /nfs/dbraw/zinc/53/72/52/995537252.db2.gz AGTVPTJRBUHKHQ-GCJKJVERSA-N 2 1 417.956 3.940 20 0 HHADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000482528848 995537258 /nfs/dbraw/zinc/53/72/58/995537258.db2.gz AGTVPTJRBUHKHQ-GCJKJVERSA-N 2 1 417.956 3.940 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000482528848 995537264 /nfs/dbraw/zinc/53/72/64/995537264.db2.gz AGTVPTJRBUHKHQ-GCJKJVERSA-N 2 1 417.956 3.940 20 0 HHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000482554539 995561208 /nfs/dbraw/zinc/56/12/08/995561208.db2.gz KZCMMVKVECDQOV-IBGZPJMESA-N 2 1 402.583 3.944 20 0 HHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000482554544 995561228 /nfs/dbraw/zinc/56/12/28/995561228.db2.gz KZCMMVKVECDQOV-LJQANCHMSA-N 2 1 402.583 3.944 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cnc2ccsc2c1 ZINC000482635701 995629908 /nfs/dbraw/zinc/62/99/08/995629908.db2.gz VTZTWMMASDBBBR-APWZRJJASA-N 2 1 408.571 3.844 20 0 HHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474798338 995714476 /nfs/dbraw/zinc/71/44/76/995714476.db2.gz KMFMJCVOBXOGMS-DLBZAZTESA-N 2 1 421.301 3.935 20 0 HHADMP COCCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(Br)cc1 ZINC000482746591 995721637 /nfs/dbraw/zinc/72/16/37/995721637.db2.gz SFTCSPZBPNWAPQ-PMACEKPBSA-N 2 1 413.400 3.599 20 0 HHADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1OC ZINC000474820849 995726229 /nfs/dbraw/zinc/72/62/29/995726229.db2.gz ICYLQLYISKEPQP-FUKQBSRTSA-N 2 1 412.574 3.668 20 0 HHADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1OC ZINC000474820849 995726234 /nfs/dbraw/zinc/72/62/34/995726234.db2.gz ICYLQLYISKEPQP-FUKQBSRTSA-N 2 1 412.574 3.668 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000482837319 995782452 /nfs/dbraw/zinc/78/24/52/995782452.db2.gz JFLPRGGTXVSZRN-WXFUMESZSA-N 2 1 412.622 3.660 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000482837319 995782455 /nfs/dbraw/zinc/78/24/55/995782455.db2.gz JFLPRGGTXVSZRN-WXFUMESZSA-N 2 1 412.622 3.660 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000482837319 995782461 /nfs/dbraw/zinc/78/24/61/995782461.db2.gz JFLPRGGTXVSZRN-WXFUMESZSA-N 2 1 412.622 3.660 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c2cccc(Br)c21 ZINC000482875078 995809213 /nfs/dbraw/zinc/80/92/13/995809213.db2.gz QJWNEZNXUKTOQZ-RDTXWAMCSA-N 2 1 408.384 3.530 20 0 HHADMP O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000482911037 995839682 /nfs/dbraw/zinc/83/96/82/995839682.db2.gz LMPQZGXQJFYACV-OAQYLSRUSA-N 2 1 401.620 3.519 20 0 HHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475012539 995868826 /nfs/dbraw/zinc/86/88/26/995868826.db2.gz IPTBVZKADYIMAH-XMMPIXPASA-N 2 1 408.590 3.944 20 0 HHADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000482952625 995877169 /nfs/dbraw/zinc/87/71/69/995877169.db2.gz UJSFOZOUNXMWKZ-LJQANCHMSA-N 2 1 415.603 3.822 20 0 HHADMP CCN(C(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475032760 995883239 /nfs/dbraw/zinc/88/32/39/995883239.db2.gz XKMHMLQPGPNSNP-GGAORHGYSA-N 2 1 424.589 3.604 20 0 HHADMP CCN(C(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475032760 995883244 /nfs/dbraw/zinc/88/32/44/995883244.db2.gz XKMHMLQPGPNSNP-GGAORHGYSA-N 2 1 424.589 3.604 20 0 HHADMP CC1CC[NH+](CC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000475050306 995891675 /nfs/dbraw/zinc/89/16/75/995891675.db2.gz VARZNOKRQIAYDB-WIYYLYMNSA-N 2 1 411.512 3.936 20 0 HHADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475117555 995933100 /nfs/dbraw/zinc/93/31/00/995933100.db2.gz HJUIGOCAJLCWDK-RCZVLFRGSA-N 2 1 410.606 3.701 20 0 HHADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475117555 995933103 /nfs/dbraw/zinc/93/31/03/995933103.db2.gz HJUIGOCAJLCWDK-RCZVLFRGSA-N 2 1 410.606 3.701 20 0 HHADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475117555 995933105 /nfs/dbraw/zinc/93/31/05/995933105.db2.gz HJUIGOCAJLCWDK-RCZVLFRGSA-N 2 1 410.606 3.701 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)[C@H](C)C1 ZINC000483140178 995998764 /nfs/dbraw/zinc/99/87/64/995998764.db2.gz ZSOAHWNGNFWTIC-QFUCXCTJSA-N 2 1 424.427 3.754 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000483157329 996008068 /nfs/dbraw/zinc/00/80/68/996008068.db2.gz OOPANOAQAUWYCW-RBUKOAKNSA-N 2 1 415.603 3.813 20 0 HHADMP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cnn1-c1cccc(Cl)c1 ZINC000483189670 996027591 /nfs/dbraw/zinc/02/75/91/996027591.db2.gz CAFUHRXTYVKGTF-SJLPKXTDSA-N 2 1 402.970 3.986 20 0 HHADMP CN(c1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000475292511 996049947 /nfs/dbraw/zinc/04/99/47/996049947.db2.gz SPIYDNACKXJBBE-QHCPKHFHSA-N 3 1 406.618 3.829 20 0 HHADMP CN(c1ccccc1CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000475292511 996049953 /nfs/dbraw/zinc/04/99/53/996049953.db2.gz SPIYDNACKXJBBE-QHCPKHFHSA-N 2 1 406.618 3.829 20 0 HHADMP CN(c1ccccc1CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000475292511 996049956 /nfs/dbraw/zinc/04/99/56/996049956.db2.gz SPIYDNACKXJBBE-QHCPKHFHSA-N 2 1 406.618 3.829 20 0 HHADMP C[C@H](NC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000483238314 996054131 /nfs/dbraw/zinc/05/41/31/996054131.db2.gz WQKMZAOXKJPFAZ-APTRMMRNSA-N 2 1 412.622 3.849 20 0 HHADMP C[C@H](NC(=O)NC[C@@H](C1CC1)[NH+](C)Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000483238314 996054134 /nfs/dbraw/zinc/05/41/34/996054134.db2.gz WQKMZAOXKJPFAZ-APTRMMRNSA-N 2 1 412.622 3.849 20 0 HHADMP C[C@H](NC(=O)NC[C@@H](C1CC1)[NH+](C)Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000483238314 996054138 /nfs/dbraw/zinc/05/41/38/996054138.db2.gz WQKMZAOXKJPFAZ-APTRMMRNSA-N 2 1 412.622 3.849 20 0 HHADMP CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000483425490 996170689 /nfs/dbraw/zinc/17/06/89/996170689.db2.gz XZBBAMOCNKZCAQ-KRWDZBQOSA-N 2 1 413.528 3.947 20 0 HHADMP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483568976 996256620 /nfs/dbraw/zinc/25/66/20/996256620.db2.gz SCXKQQWIOPKJTN-LADGPHEKSA-N 2 1 421.585 3.754 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000483685884 996328333 /nfs/dbraw/zinc/32/83/33/996328333.db2.gz TXXSFKZPUXIKNC-UHFFFAOYSA-N 2 1 420.548 3.635 20 0 HHADMP O[C@H](COCc1cccs1)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475729538 996328767 /nfs/dbraw/zinc/32/87/67/996328767.db2.gz NNFIVTOXAUVPCW-JTHBVZDNSA-N 2 1 400.588 3.614 20 0 HHADMP O[C@H](COCc1cccs1)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475729538 996328775 /nfs/dbraw/zinc/32/87/75/996328775.db2.gz NNFIVTOXAUVPCW-JTHBVZDNSA-N 2 1 400.588 3.614 20 0 HHADMP O[C@H](COCc1cccs1)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475729538 996328783 /nfs/dbraw/zinc/32/87/83/996328783.db2.gz NNFIVTOXAUVPCW-JTHBVZDNSA-N 2 1 400.588 3.614 20 0 HHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cccc(NS(C)(=O)=O)c1 ZINC000483741204 996360296 /nfs/dbraw/zinc/36/02/96/996360296.db2.gz HHXOIQXYPFXOEQ-XAUMDUMWSA-N 2 1 407.605 3.853 20 0 HHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cccc(NS(C)(=O)=O)c1 ZINC000483741204 996360299 /nfs/dbraw/zinc/36/02/99/996360299.db2.gz HHXOIQXYPFXOEQ-XAUMDUMWSA-N 2 1 407.605 3.853 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOc3ccc(I)cc32)CC[N@@H+]1C ZINC000483748922 996363815 /nfs/dbraw/zinc/36/38/15/996363815.db2.gz RTGPVXQXPNWFAE-XNRPHZJLSA-N 2 1 400.304 3.577 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOc3ccc(I)cc32)CC[N@H+]1C ZINC000483748922 996363820 /nfs/dbraw/zinc/36/38/20/996363820.db2.gz RTGPVXQXPNWFAE-XNRPHZJLSA-N 2 1 400.304 3.577 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2cccc(Br)c2)[C@H](C)C1 ZINC000483814923 996405555 /nfs/dbraw/zinc/40/55/55/996405555.db2.gz HCZXCNZOQYKJHE-UWVAXJGDSA-N 2 1 413.400 3.943 20 0 HHADMP C[C@H](NC(=O)NCCC[N@@H+](C)C1CCCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000483876475 996442459 /nfs/dbraw/zinc/44/24/59/996442459.db2.gz NCAXXXXIOCUBMW-RBBKRZOGSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@H](NC(=O)NCCC[NH+](C)C1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000483876475 996442460 /nfs/dbraw/zinc/44/24/60/996442460.db2.gz NCAXXXXIOCUBMW-RBBKRZOGSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@H](NC(=O)NCCC[NH+](C)C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000483876475 996442462 /nfs/dbraw/zinc/44/24/62/996442462.db2.gz NCAXXXXIOCUBMW-RBBKRZOGSA-N 2 1 400.611 3.851 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C(C)C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000483877748 996443634 /nfs/dbraw/zinc/44/36/34/996443634.db2.gz TUDJQIYQJLBHLR-LEWJYISDSA-N 2 1 408.537 3.661 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C(C)C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000483877748 996443638 /nfs/dbraw/zinc/44/36/38/996443638.db2.gz TUDJQIYQJLBHLR-LEWJYISDSA-N 2 1 408.537 3.661 20 0 HHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475891525 996448697 /nfs/dbraw/zinc/44/86/97/996448697.db2.gz JLVDUBGYHNFVRZ-GBXCKJPGSA-N 2 1 409.578 3.525 20 0 HHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475891525 996448702 /nfs/dbraw/zinc/44/87/02/996448702.db2.gz JLVDUBGYHNFVRZ-GBXCKJPGSA-N 2 1 409.578 3.525 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccco1 ZINC000475967914 996504598 /nfs/dbraw/zinc/50/45/98/996504598.db2.gz RGRQYRXDYVYBSG-XUZZJYLKSA-N 2 1 410.562 3.580 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccco1 ZINC000475967914 996504603 /nfs/dbraw/zinc/50/46/03/996504603.db2.gz RGRQYRXDYVYBSG-XUZZJYLKSA-N 2 1 410.562 3.580 20 0 HHADMP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000484013531 996521676 /nfs/dbraw/zinc/52/16/76/996521676.db2.gz VQJSZKCOVSKCCZ-UHFFFAOYSA-N 2 1 412.622 3.744 20 0 HHADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000484134061 996589339 /nfs/dbraw/zinc/58/93/39/996589339.db2.gz TYUFHGMHKOCWCS-LAUBAEHRSA-N 2 1 408.464 3.915 20 0 HHADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000484134061 996589352 /nfs/dbraw/zinc/58/93/52/996589352.db2.gz TYUFHGMHKOCWCS-LAUBAEHRSA-N 2 1 408.464 3.915 20 0 HHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(-n4cncn4)cc3Cl)CC2)nc(C)[nH+]1 ZINC000484296115 996685751 /nfs/dbraw/zinc/68/57/51/996685751.db2.gz XEYIUPARRNPSMR-HNNXBMFYSA-N 2 1 411.941 3.647 20 0 HHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000484341012 996714626 /nfs/dbraw/zinc/71/46/26/996714626.db2.gz ICWDLUIVQLRVGB-BHIYHBOVSA-N 2 1 411.512 3.676 20 0 HHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000484341012 996714631 /nfs/dbraw/zinc/71/46/31/996714631.db2.gz ICWDLUIVQLRVGB-BHIYHBOVSA-N 2 1 411.512 3.676 20 0 HHADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000484341012 996714633 /nfs/dbraw/zinc/71/46/33/996714633.db2.gz ICWDLUIVQLRVGB-BHIYHBOVSA-N 2 1 411.512 3.676 20 0 HHADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000484341012 996714641 /nfs/dbraw/zinc/71/46/41/996714641.db2.gz ICWDLUIVQLRVGB-BHIYHBOVSA-N 2 1 411.512 3.676 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)C1 ZINC000484716791 997056927 /nfs/dbraw/zinc/05/69/27/997056927.db2.gz VMIBHKSLZPPNBK-VWPQPMDRSA-N 2 1 423.605 3.589 20 0 HHADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000484926233 997301328 /nfs/dbraw/zinc/30/13/28/997301328.db2.gz PYTAHVZWAPWRFU-ZQMYSKGWSA-N 2 1 418.528 3.846 20 0 HHADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC[N@H+]1C ZINC000484926233 997301336 /nfs/dbraw/zinc/30/13/36/997301336.db2.gz PYTAHVZWAPWRFU-ZQMYSKGWSA-N 2 1 418.528 3.846 20 0 HHADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC[NH+]1C ZINC000484926233 997301341 /nfs/dbraw/zinc/30/13/41/997301341.db2.gz PYTAHVZWAPWRFU-ZQMYSKGWSA-N 2 1 418.528 3.846 20 0 HHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC[NH+]1C ZINC000484926233 997301348 /nfs/dbraw/zinc/30/13/48/997301348.db2.gz PYTAHVZWAPWRFU-ZQMYSKGWSA-N 2 1 418.528 3.846 20 0 HHADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000484926231 997301435 /nfs/dbraw/zinc/30/14/35/997301435.db2.gz PYTAHVZWAPWRFU-NLSFWIRASA-N 2 1 418.528 3.846 20 0 HHADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC[N@H+]1C ZINC000484926231 997301438 /nfs/dbraw/zinc/30/14/38/997301438.db2.gz PYTAHVZWAPWRFU-NLSFWIRASA-N 2 1 418.528 3.846 20 0 HHADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC[NH+]1C ZINC000484926231 997301444 /nfs/dbraw/zinc/30/14/44/997301444.db2.gz PYTAHVZWAPWRFU-NLSFWIRASA-N 2 1 418.528 3.846 20 0 HHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC[NH+]1C ZINC000484926231 997301451 /nfs/dbraw/zinc/30/14/51/997301451.db2.gz PYTAHVZWAPWRFU-NLSFWIRASA-N 2 1 418.528 3.846 20 0 HHADMP C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000484968319 997340439 /nfs/dbraw/zinc/34/04/39/997340439.db2.gz FNUFZSATDIBDEP-YSIASYRMSA-N 2 1 400.592 3.561 20 0 HHADMP CN(C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000476924777 997537822 /nfs/dbraw/zinc/53/78/22/997537822.db2.gz GTHIRXRUHKWAAB-WCRBZPEASA-N 2 1 404.986 3.571 20 0 HHADMP COc1ccc(COC[C@@H](O)C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000476975047 997594667 /nfs/dbraw/zinc/59/46/67/997594667.db2.gz QMGDHNFBZLOKSI-REWPJTCUSA-N 2 1 404.595 3.549 20 0 HHADMP Cc1cc2ncn(C[C@@H](O)C[NH+]3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)c2cc1C ZINC000476983235 997607136 /nfs/dbraw/zinc/60/71/36/997607136.db2.gz KPXIMVCWSLINQK-GMAHTHKFSA-N 2 1 412.622 3.991 20 0 HHADMP CC(=O)Nc1cccc(NC(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000476984043 997608141 /nfs/dbraw/zinc/60/81/41/997608141.db2.gz MECHMULPRNXQLU-SFHVURJKSA-N 2 1 400.567 3.560 20 0 HHADMP CC(=O)Nc1cccc(NC(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000476984043 997608150 /nfs/dbraw/zinc/60/81/50/997608150.db2.gz MECHMULPRNXQLU-SFHVURJKSA-N 2 1 400.567 3.560 20 0 HHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1 ZINC000485393348 997821125 /nfs/dbraw/zinc/82/11/25/997821125.db2.gz MPTOTLAWXHXKHY-NRFANRHFSA-N 2 1 408.590 3.898 20 0 HHADMP CN(C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000477160211 997821703 /nfs/dbraw/zinc/82/17/03/997821703.db2.gz KFMLQIOEJYQAJH-XMMPIXPASA-N 2 1 412.622 3.599 20 0 HHADMP CN(C(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000477160607 997821824 /nfs/dbraw/zinc/82/18/24/997821824.db2.gz LBQKVRZWGMMLOL-RTWAWAEBSA-N 2 1 404.986 3.573 20 0 HHADMP CN(C(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000477160607 997821843 /nfs/dbraw/zinc/82/18/43/997821843.db2.gz LBQKVRZWGMMLOL-RTWAWAEBSA-N 2 1 404.986 3.573 20 0 HHADMP CN(C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)[C@H]1CC[NH+](C2CC2)C1 ZINC000477160607 997821862 /nfs/dbraw/zinc/82/18/62/997821862.db2.gz LBQKVRZWGMMLOL-RTWAWAEBSA-N 2 1 404.986 3.573 20 0 HHADMP CN(C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)[C@H]1CC[NH+](C2CC2)C1 ZINC000477160607 997821877 /nfs/dbraw/zinc/82/18/77/997821877.db2.gz LBQKVRZWGMMLOL-RTWAWAEBSA-N 2 1 404.986 3.573 20 0 HHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000485395651 997824177 /nfs/dbraw/zinc/82/41/77/997824177.db2.gz GLSCRBZWBAWCDA-MZKRTTBSSA-N 2 1 400.611 3.648 20 0 HHADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000485395651 997824186 /nfs/dbraw/zinc/82/41/86/997824186.db2.gz GLSCRBZWBAWCDA-MZKRTTBSSA-N 2 1 400.611 3.648 20 0 HHADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000485395651 997824191 /nfs/dbraw/zinc/82/41/91/997824191.db2.gz GLSCRBZWBAWCDA-MZKRTTBSSA-N 2 1 400.611 3.648 20 0 HHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000485397708 997826176 /nfs/dbraw/zinc/82/61/76/997826176.db2.gz BHUQNQDVNQAAPV-MBSDFSHPSA-N 2 1 418.528 3.705 20 0 HHADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000485397708 997826190 /nfs/dbraw/zinc/82/61/90/997826190.db2.gz BHUQNQDVNQAAPV-MBSDFSHPSA-N 2 1 418.528 3.705 20 0 HHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000485397708 997826204 /nfs/dbraw/zinc/82/62/04/997826204.db2.gz BHUQNQDVNQAAPV-MBSDFSHPSA-N 2 1 418.528 3.705 20 0 HHADMP C[C@H](NC(=O)NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000485399170 997828840 /nfs/dbraw/zinc/82/88/40/997828840.db2.gz FZBFZFFPJBXAFO-URXFXBBRSA-N 2 1 420.601 3.645 20 0 HHADMP C[C@H](NC(=O)NCCC[NH+]1CCc2ccccc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485399170 997828848 /nfs/dbraw/zinc/82/88/48/997828848.db2.gz FZBFZFFPJBXAFO-URXFXBBRSA-N 2 1 420.601 3.645 20 0 HHADMP C[C@H](NC(=O)NCCC[NH+]1CCc2ccccc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485399170 997828857 /nfs/dbraw/zinc/82/88/57/997828857.db2.gz FZBFZFFPJBXAFO-URXFXBBRSA-N 2 1 420.601 3.645 20 0 HHADMP CCCC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000485501371 997956114 /nfs/dbraw/zinc/95/61/14/997956114.db2.gz KUSZFQCVWSVAFU-ISKFKSNPSA-N 2 1 412.622 3.947 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1F ZINC000477415644 998099884 /nfs/dbraw/zinc/09/98/84/998099884.db2.gz VSAQCCGWAVYBKV-HXUWFJFHSA-N 2 1 401.501 3.555 20 0 HHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@H](C)c2ccc3ncsc3c2)CC1 ZINC000485818403 998284745 /nfs/dbraw/zinc/28/47/45/998284745.db2.gz VTTRVEUQBOTRHI-LJQANCHMSA-N 2 1 422.598 3.990 20 0 HHADMP CCCN(C(=O)c1cc(C[NH+]2CCCC2)on1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000486029390 998476504 /nfs/dbraw/zinc/47/65/04/998476504.db2.gz OSPNBNKLWHLANR-NRFANRHFSA-N 2 1 410.562 3.787 20 0 HHADMP CCCN(C(=O)c1cc(C[NH+]2CCCC2)on1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000486029390 998476508 /nfs/dbraw/zinc/47/65/08/998476508.db2.gz OSPNBNKLWHLANR-NRFANRHFSA-N 2 1 410.562 3.787 20 0 HHADMP C[NH+](C)Cc1ccccc1C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000486044110 998493847 /nfs/dbraw/zinc/49/38/47/998493847.db2.gz YJLITJBTIPHESF-UHFFFAOYSA-N 2 1 418.541 3.798 20 0 HHADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000486089418 998536431 /nfs/dbraw/zinc/53/64/31/998536431.db2.gz LNWPBGGRRKXWFG-VWLOTQADSA-N 2 1 421.585 3.693 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)NCCc2cccc3cccnc32)CC1 ZINC000478049568 998735750 /nfs/dbraw/zinc/73/57/50/998735750.db2.gz WMXXYSGOZOMGAY-OAQYLSRUSA-N 2 1 422.617 3.870 20 0 HHADMP C[C@@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1c(F)cccc1F ZINC000486392519 998744020 /nfs/dbraw/zinc/74/40/20/998744020.db2.gz FZJFQMVCVSGXCO-QGZVFWFLSA-N 2 1 407.549 3.723 20 0 HHADMP CC(C)([C@H](NC(=O)[C@H]1CCCc2[nH+]ccn21)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000487040717 999045525 /nfs/dbraw/zinc/04/55/25/999045525.db2.gz MXBBQYYERDNJIN-UYAOXDASSA-N 2 1 402.489 3.771 20 0 HHADMP COc1cccc([C@@H]2[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC[N@H+]2C2CC2)c1 ZINC000487079365 999057013 /nfs/dbraw/zinc/05/70/13/999057013.db2.gz UDDNAMXTANEMGE-FDFHNCONSA-N 2 1 416.610 3.639 20 0 HHADMP FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000487319685 999134325 /nfs/dbraw/zinc/13/43/25/999134325.db2.gz MPXGFDRXUSRQFK-OAHLLOKOSA-N 2 1 408.468 3.686 20 0 HHADMP C[NH+](C)CCCOc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000487390467 999157523 /nfs/dbraw/zinc/15/75/23/999157523.db2.gz VNZKMEAVWPLBEO-HSZRJFAPSA-N 2 1 409.574 3.546 20 0 HHADMP CC(C)C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000479051477 999268065 /nfs/dbraw/zinc/26/80/65/999268065.db2.gz AALLUXFMDWSNGH-PKOBYXMFSA-N 2 1 410.400 3.713 20 0 HHADMP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000479342512 999394683 /nfs/dbraw/zinc/39/46/83/999394683.db2.gz HUXQHCNNEFWIRC-XMMPIXPASA-N 2 1 402.542 3.872 20 0 HHADMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000479461063 999427264 /nfs/dbraw/zinc/42/72/64/999427264.db2.gz BESVVLJZTVNNRF-AZUAARDMSA-N 2 1 401.576 3.621 20 0 HHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@@]3([NH+](C)C)CCSC3)c2c1C ZINC000479463574 999428601 /nfs/dbraw/zinc/42/86/01/999428601.db2.gz IZNLYRYJPVIGGE-FQEVSTJZSA-N 2 1 405.637 3.753 20 0 HHADMP COc1cccc([C@@H]2[C@H](NC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)CC[N@H+]2C2CC2)c1 ZINC000488334725 999445727 /nfs/dbraw/zinc/44/57/27/999445727.db2.gz XDAMRRVXXOAWBD-TZRRMPRUSA-N 2 1 422.573 3.575 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000488527798 999518538 /nfs/dbraw/zinc/51/85/38/999518538.db2.gz DUTHNFSOQCZBQT-GBXCKJPGSA-N 2 1 408.590 3.848 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000488527798 999518540 /nfs/dbraw/zinc/51/85/40/999518540.db2.gz DUTHNFSOQCZBQT-GBXCKJPGSA-N 2 1 408.590 3.848 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000488527798 999518542 /nfs/dbraw/zinc/51/85/42/999518542.db2.gz DUTHNFSOQCZBQT-GBXCKJPGSA-N 2 1 408.590 3.848 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000488576465 999533300 /nfs/dbraw/zinc/53/33/00/999533300.db2.gz CKEAYLUBOPBCQJ-HSQYWUDLSA-N 2 1 422.564 3.862 20 0 HHADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000488576465 999533305 /nfs/dbraw/zinc/53/33/05/999533305.db2.gz CKEAYLUBOPBCQJ-HSQYWUDLSA-N 2 1 422.564 3.862 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000488576465 999533308 /nfs/dbraw/zinc/53/33/08/999533308.db2.gz CKEAYLUBOPBCQJ-HSQYWUDLSA-N 2 1 422.564 3.862 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000488576465 999533313 /nfs/dbraw/zinc/53/33/13/999533313.db2.gz CKEAYLUBOPBCQJ-HSQYWUDLSA-N 2 1 422.564 3.862 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000488576465 999533316 /nfs/dbraw/zinc/53/33/16/999533316.db2.gz CKEAYLUBOPBCQJ-HSQYWUDLSA-N 2 1 422.564 3.862 20 0 HHADMP CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@]3(CC[N@@H+](C)C3)C2)n1 ZINC000488710016 999583155 /nfs/dbraw/zinc/58/31/55/999583155.db2.gz DJIUUFRJHPTDKU-HSZRJFAPSA-N 2 1 407.587 3.952 20 0 HHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@]3(CC[N@H+](C)C3)C2)n1 ZINC000488710016 999583157 /nfs/dbraw/zinc/58/31/57/999583157.db2.gz DJIUUFRJHPTDKU-HSZRJFAPSA-N 2 1 407.587 3.952 20 0 HHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@]3(CC[N@@H+](C)C3)C2)n1 ZINC000488710016 999583160 /nfs/dbraw/zinc/58/31/60/999583160.db2.gz DJIUUFRJHPTDKU-HSZRJFAPSA-N 2 1 407.587 3.952 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(OCc2nccn2C)cc1 ZINC000479887015 999636782 /nfs/dbraw/zinc/63/67/82/999636782.db2.gz MUHNYTUFQKNIFR-HXUWFJFHSA-N 2 1 420.557 3.682 20 0 HHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000479908940 999644845 /nfs/dbraw/zinc/64/48/45/999644845.db2.gz FXKGNCUPPVWHRX-MOPGFXCFSA-N 2 1 419.591 3.673 20 0 HHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000479908940 999644851 /nfs/dbraw/zinc/64/48/51/999644851.db2.gz FXKGNCUPPVWHRX-MOPGFXCFSA-N 2 1 419.591 3.673 20 0 HHADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H](C)C1 ZINC000488963851 999659034 /nfs/dbraw/zinc/65/90/34/999659034.db2.gz XGBGACJKKHJVPQ-GHJWSADVSA-N 2 1 410.606 3.554 20 0 HHADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H](C)C1 ZINC000488963851 999659036 /nfs/dbraw/zinc/65/90/36/999659036.db2.gz XGBGACJKKHJVPQ-GHJWSADVSA-N 2 1 410.606 3.554 20 0 HHADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H](C)C1 ZINC000488963851 999659038 /nfs/dbraw/zinc/65/90/38/999659038.db2.gz XGBGACJKKHJVPQ-GHJWSADVSA-N 2 1 410.606 3.554 20 0 HHADMP C[N@@H+](CCN(Cc1ccccc1)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000489333071 999747242 /nfs/dbraw/zinc/74/72/42/999747242.db2.gz PXICZLVFBLCJEJ-LOSJGSFVSA-N 2 1 420.601 3.957 20 0 HHADMP C[NH+](CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000489333071 999747244 /nfs/dbraw/zinc/74/72/44/999747244.db2.gz PXICZLVFBLCJEJ-LOSJGSFVSA-N 2 1 420.601 3.957 20 0 HHADMP C[NH+](CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000489333071 999747246 /nfs/dbraw/zinc/74/72/46/999747246.db2.gz PXICZLVFBLCJEJ-LOSJGSFVSA-N 2 1 420.601 3.957 20 0 HHADMP C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C[C@@H](C)C1 ZINC000489361475 999751832 /nfs/dbraw/zinc/75/18/32/999751832.db2.gz KEPFPGFOZNUHLW-MZLICYQSSA-N 2 1 424.589 3.783 20 0 HHADMP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C[C@@H](C)C1 ZINC000489361475 999751835 /nfs/dbraw/zinc/75/18/35/999751835.db2.gz KEPFPGFOZNUHLW-MZLICYQSSA-N 2 1 424.589 3.783 20 0 HHADMP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C[C@@H](C)C1 ZINC000489361475 999751837 /nfs/dbraw/zinc/75/18/37/999751837.db2.gz KEPFPGFOZNUHLW-MZLICYQSSA-N 2 1 424.589 3.783 20 0 HHADMP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C[C@@H](C)C1 ZINC000489361475 999751841 /nfs/dbraw/zinc/75/18/41/999751841.db2.gz KEPFPGFOZNUHLW-MZLICYQSSA-N 2 1 424.589 3.783 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000489393505 999757582 /nfs/dbraw/zinc/75/75/82/999757582.db2.gz CFYQCHJNLFNPRZ-UHFFFAOYSA-N 2 1 408.590 3.944 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000489433183 999766385 /nfs/dbraw/zinc/76/63/85/999766385.db2.gz UYUZVCZLBIOIJN-KSEOMHKRSA-N 2 1 412.578 3.872 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000489529437 999785262 /nfs/dbraw/zinc/78/52/62/999785262.db2.gz BMKPEPCGKBIKJW-HUVFLSCGSA-N 2 1 406.574 3.595 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000489529437 999785264 /nfs/dbraw/zinc/78/52/64/999785264.db2.gz BMKPEPCGKBIKJW-HUVFLSCGSA-N 2 1 406.574 3.595 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000489529437 999785265 /nfs/dbraw/zinc/78/52/65/999785265.db2.gz BMKPEPCGKBIKJW-HUVFLSCGSA-N 2 1 406.574 3.595 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000489529437 999785267 /nfs/dbraw/zinc/78/52/67/999785267.db2.gz BMKPEPCGKBIKJW-HUVFLSCGSA-N 2 1 406.574 3.595 20 0 HHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000480387205 999786511 /nfs/dbraw/zinc/78/65/11/999786511.db2.gz DOUWMPFSYKPRKP-OQUNMALSSA-N 2 1 408.586 3.878 20 0 HHADMP Cc1ccccc1[C@H](OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000480387205 999786513 /nfs/dbraw/zinc/78/65/13/999786513.db2.gz DOUWMPFSYKPRKP-OQUNMALSSA-N 2 1 408.586 3.878 20 0 HHADMP Cc1ccccc1[C@H](OC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000480387205 999786515 /nfs/dbraw/zinc/78/65/15/999786515.db2.gz DOUWMPFSYKPRKP-OQUNMALSSA-N 2 1 408.586 3.878 20 0 HHADMP C[N@@H+](CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[NH+](C2CC2)C1)Cc1ccccc1 ZINC000489540906 999788144 /nfs/dbraw/zinc/78/81/44/999788144.db2.gz JWOZLBUBCKPABG-HSZRJFAPSA-N 2 1 406.574 3.567 20 0 HHADMP C[NH+](CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000489540906 999788148 /nfs/dbraw/zinc/78/81/48/999788148.db2.gz JWOZLBUBCKPABG-HSZRJFAPSA-N 2 1 406.574 3.567 20 0 HHADMP C[NH+](CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000489540906 999788151 /nfs/dbraw/zinc/78/81/51/999788151.db2.gz JWOZLBUBCKPABG-HSZRJFAPSA-N 2 1 406.574 3.567 20 0 HHADMP C[N@@H+](CCN(Cc1ccccc1)C(=O)N[C@H]1CC[NH+](C2CC2)C1)Cc1ccccc1 ZINC000489540908 999788219 /nfs/dbraw/zinc/78/82/19/999788219.db2.gz JWOZLBUBCKPABG-QHCPKHFHSA-N 2 1 406.574 3.567 20 0 HHADMP C[NH+](CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000489540908 999788222 /nfs/dbraw/zinc/78/82/22/999788222.db2.gz JWOZLBUBCKPABG-QHCPKHFHSA-N 2 1 406.574 3.567 20 0 HHADMP C[NH+](CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000489540908 999788225 /nfs/dbraw/zinc/78/82/25/999788225.db2.gz JWOZLBUBCKPABG-QHCPKHFHSA-N 2 1 406.574 3.567 20 0 HHADMP Cc1ccc([C@H](OC[C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c2ccccc2)cc1 ZINC000480394512 999788479 /nfs/dbraw/zinc/78/84/79/999788479.db2.gz OMXIUQIQTCPVEF-ROXDYWFKSA-N 2 1 408.586 3.878 20 0 HHADMP Cc1ccc([C@H](OC[C@H](O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c2ccccc2)cc1 ZINC000480394512 999788482 /nfs/dbraw/zinc/78/84/82/999788482.db2.gz OMXIUQIQTCPVEF-ROXDYWFKSA-N 2 1 408.586 3.878 20 0 HHADMP Cc1ccc([C@H](OC[C@H](O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c2ccccc2)cc1 ZINC000480394512 999788483 /nfs/dbraw/zinc/78/84/83/999788483.db2.gz OMXIUQIQTCPVEF-ROXDYWFKSA-N 2 1 408.586 3.878 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC000489543437 999788841 /nfs/dbraw/zinc/78/88/41/999788841.db2.gz GXGDHXYLPJPRNE-URXFXBBRSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)N(CC[N@H+](C)Cc2ccccc2)Cc2ccccc2)CC[NH+]1C ZINC000489543437 999788843 /nfs/dbraw/zinc/78/88/43/999788843.db2.gz GXGDHXYLPJPRNE-URXFXBBRSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)N(CC[N@@H+](C)Cc2ccccc2)Cc2ccccc2)CC[NH+]1C ZINC000489543437 999788845 /nfs/dbraw/zinc/78/88/45/999788845.db2.gz GXGDHXYLPJPRNE-URXFXBBRSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489631685 999806440 /nfs/dbraw/zinc/80/64/40/999806440.db2.gz DYXGGSRDMAUDMN-RDPSFJRHSA-N 2 1 421.585 3.859 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)[nH+]c1 ZINC000489632062 999806574 /nfs/dbraw/zinc/80/65/74/999806574.db2.gz VGDDGPDPQRYRAY-NZQKXSOJSA-N 2 1 421.589 3.569 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)CC2)[nH+]c1 ZINC000489632062 999806576 /nfs/dbraw/zinc/80/65/76/999806576.db2.gz VGDDGPDPQRYRAY-NZQKXSOJSA-N 2 1 421.589 3.569 20 0 HHADMP CCOc1cccc(CNC(=O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000489646484 999809440 /nfs/dbraw/zinc/80/94/40/999809440.db2.gz GRGVXWHXOUIQGX-UHFFFAOYSA-N 2 1 409.574 3.546 20 0 HHADMP Cc1ccccc1C[C@H](C)NC(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489648079 999809773 /nfs/dbraw/zinc/80/97/73/999809773.db2.gz LEFYMHHBSOBXBW-QFIPXVFZSA-N 2 1 407.602 3.886 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC000489726921 999825676 /nfs/dbraw/zinc/82/56/76/999825676.db2.gz ICEHJHXHAYJUGE-VMIIQTFKSA-N 2 1 412.622 3.659 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000489726921 999825677 /nfs/dbraw/zinc/82/56/77/999825677.db2.gz ICEHJHXHAYJUGE-VMIIQTFKSA-N 2 1 412.622 3.659 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000489726921 999825678 /nfs/dbraw/zinc/82/56/78/999825678.db2.gz ICEHJHXHAYJUGE-VMIIQTFKSA-N 2 1 412.622 3.659 20 0 HHADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C[C@@H](C)C1 ZINC000489730563 999826655 /nfs/dbraw/zinc/82/66/55/999826655.db2.gz XRDJWZMUHRBGPF-NIHXVFGGSA-N 2 1 412.622 3.515 20 0 HHADMP C[C@@H]1C[C@H]1[NH+]1CCN(C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H](C)C1 ZINC000489730563 999826656 /nfs/dbraw/zinc/82/66/56/999826656.db2.gz XRDJWZMUHRBGPF-NIHXVFGGSA-N 2 1 412.622 3.515 20 0 HHADMP C[C@@H]1C[C@H]1[NH+]1CCN(C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H](C)C1 ZINC000489730563 999826657 /nfs/dbraw/zinc/82/66/57/999826657.db2.gz XRDJWZMUHRBGPF-NIHXVFGGSA-N 2 1 412.622 3.515 20 0 HHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000480599992 999837604 /nfs/dbraw/zinc/83/76/04/999837604.db2.gz FEUVWWOOLXHNMC-ZCNNSNEGSA-N 2 1 407.624 3.635 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000489808155 999842112 /nfs/dbraw/zinc/84/21/12/999842112.db2.gz BBQNSBJANRTTGY-AUSIDOKSSA-N 2 1 412.578 3.572 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000489834205 999846332 /nfs/dbraw/zinc/84/63/32/999846332.db2.gz AYMCVJKTLVZPHO-JAXLGGSGSA-N 2 1 422.976 3.740 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000489834205 999846334 /nfs/dbraw/zinc/84/63/34/999846334.db2.gz AYMCVJKTLVZPHO-JAXLGGSGSA-N 2 1 422.976 3.740 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000489834205 999846335 /nfs/dbraw/zinc/84/63/35/999846335.db2.gz AYMCVJKTLVZPHO-JAXLGGSGSA-N 2 1 422.976 3.740 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000489834205 999846336 /nfs/dbraw/zinc/84/63/36/999846336.db2.gz AYMCVJKTLVZPHO-JAXLGGSGSA-N 2 1 422.976 3.740 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000489847290 999848648 /nfs/dbraw/zinc/84/86/48/999848648.db2.gz ZEFFQXHIABDFBD-ILBGXUMGSA-N 2 1 420.601 3.687 20 0 HHADMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)c2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000489904528 999859496 /nfs/dbraw/zinc/85/94/96/999859496.db2.gz DXTAEDAFDMIZRB-QGZVFWFLSA-N 2 1 402.539 3.629 20 0 HHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccncc2OC[C@@H]2CCOC2)C3)cc1 ZINC000490328377 999937648 /nfs/dbraw/zinc/93/76/48/999937648.db2.gz QVCRYUVXGFYPKC-CAUSLRQDSA-N 2 1 407.558 3.782 20 0 HHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccncc2OC[C@@H]2CCOC2)C3)cc1 ZINC000490328377 999937649 /nfs/dbraw/zinc/93/76/49/999937649.db2.gz QVCRYUVXGFYPKC-CAUSLRQDSA-N 2 1 407.558 3.782 20 0 HHADMP C[C@H]1C[N@@H+](CCOC(c2ccccc2)c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490654855 999989329 /nfs/dbraw/zinc/98/93/29/999989329.db2.gz ZALHIRQLZDCHQD-DHLKQENFSA-N 2 1 407.602 3.750 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000491336039 1000066250 /nfs/dbraw/zinc/06/62/50/1000066250.db2.gz TVWUOGCINVJCOW-LJQANCHMSA-N 2 1 416.614 3.658 20 0 HHADMP O=C(Nc1ccccc1)[C@@H](c1ccccc1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000492237015 1000117229 /nfs/dbraw/zinc/11/72/29/1000117229.db2.gz PHYQIMKIRJDVSB-XMMPIXPASA-N 2 1 407.558 3.801 20 0 HHADMP O=C(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)Nc1ccccc1-c1ccccc1 ZINC000492312593 1000121436 /nfs/dbraw/zinc/12/14/36/1000121436.db2.gz YLODLSNTPOLAIP-UHFFFAOYSA-N 2 1 407.558 3.726 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)CCc2ccc(Cl)cc2)CC1 ZINC000492331759 1000122123 /nfs/dbraw/zinc/12/21/23/1000122123.db2.gz UHWSMVOMUWWPQF-UHFFFAOYSA-N 2 1 413.993 3.904 20 0 HHADMP COc1ccc2ccccc2c1-c1cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)on1 ZINC000492854399 1000147016 /nfs/dbraw/zinc/14/70/16/1000147016.db2.gz UTDGKYUQFKJTBN-UHFFFAOYSA-N 2 1 408.546 3.573 20 0 HHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)CC3 ZINC000493276514 1000166596 /nfs/dbraw/zinc/16/65/96/1000166596.db2.gz KECOVOYXKRTVJV-IMSXRSKXSA-N 2 1 403.570 3.806 20 0 HHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)CC3 ZINC000493276514 1000166598 /nfs/dbraw/zinc/16/65/98/1000166598.db2.gz KECOVOYXKRTVJV-IMSXRSKXSA-N 2 1 403.570 3.806 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000494060521 1000289121 /nfs/dbraw/zinc/28/91/21/1000289121.db2.gz NYOVXBIHHWVDPG-LJQANCHMSA-N 2 1 404.558 3.769 20 0 HHADMP CC[NH+](CC)CCSCC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000494135210 1000324539 /nfs/dbraw/zinc/32/45/39/1000324539.db2.gz XAMPCSAYZZPMMQ-CTNGQTDRSA-N 2 1 413.578 3.680 20 0 HHADMP CC[NH+](CC)CCSCC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000494135210 1000324543 /nfs/dbraw/zinc/32/45/43/1000324543.db2.gz XAMPCSAYZZPMMQ-CTNGQTDRSA-N 2 1 413.578 3.680 20 0 HHADMP C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000494566752 1000557464 /nfs/dbraw/zinc/55/74/64/1000557464.db2.gz WUDRZKWEMOIAEU-URXFXBBRSA-N 2 1 415.622 3.542 20 0 HHADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000505135559 1000569200 /nfs/dbraw/zinc/56/92/00/1000569200.db2.gz JZUWHVISEITUCC-PMACEKPBSA-N 2 1 417.500 3.690 20 0 HHADMP CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)c2C1 ZINC000505300129 1000683381 /nfs/dbraw/zinc/68/33/81/1000683381.db2.gz PITYSTXGLBCBBQ-LJQANCHMSA-N 2 1 416.610 3.562 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H](Cc2ccccc2Cl)c2cccs2)C1 ZINC000495081770 1000818289 /nfs/dbraw/zinc/81/82/89/1000818289.db2.gz VLKTXZDMNGPQOB-PKOBYXMFSA-N 2 1 405.995 3.862 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1cccs1 ZINC000505766048 1001012509 /nfs/dbraw/zinc/01/25/09/1001012509.db2.gz KTBPNLWBGGHXNR-OFNKIYASSA-N 2 1 412.603 3.658 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Br)cc1Cl ZINC000505790185 1001024958 /nfs/dbraw/zinc/02/49/58/1001024958.db2.gz PJOUZPVNIQGWQV-HNNXBMFYSA-N 2 1 416.791 3.591 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc(-c2ccc(C)cc2C)n1 ZINC000505808741 1001036987 /nfs/dbraw/zinc/03/69/87/1001036987.db2.gz ZKYJWKIOGCPTHX-LJQANCHMSA-N 2 1 414.619 3.915 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000506176347 1001261119 /nfs/dbraw/zinc/26/11/19/1001261119.db2.gz XMJMIQAAILRZGT-INIZCTEOSA-N 2 1 422.545 3.576 20 0 HHADMP COc1ccc(OC(F)F)c(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000497233733 1001283112 /nfs/dbraw/zinc/28/31/12/1001283112.db2.gz ZJAMWBDSKABOQE-NRFANRHFSA-N 2 1 419.516 3.765 20 0 HHADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000497473548 1001385616 /nfs/dbraw/zinc/38/56/16/1001385616.db2.gz UFVCDBGNICMZDF-NSISKUIASA-N 2 1 424.511 3.548 20 0 HHADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000497619839 1001461155 /nfs/dbraw/zinc/46/11/55/1001461155.db2.gz FCQNASNNQFEELN-UNMCSNQZSA-N 2 1 419.013 3.678 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000506866268 1001572367 /nfs/dbraw/zinc/57/23/67/1001572367.db2.gz WDLHDNRFGLXDNP-NJYVYQBISA-N 2 1 402.583 3.713 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000506922913 1001595586 /nfs/dbraw/zinc/59/55/86/1001595586.db2.gz QTKZHQCAZLSBHJ-NHTMILBNSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000506922913 1001595590 /nfs/dbraw/zinc/59/55/90/1001595590.db2.gz QTKZHQCAZLSBHJ-NHTMILBNSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000506922913 1001595594 /nfs/dbraw/zinc/59/55/94/1001595594.db2.gz QTKZHQCAZLSBHJ-NHTMILBNSA-N 2 1 412.622 3.947 20 0 HHADMP COc1cccc([C@H](CNC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)c1 ZINC000498121463 1001650636 /nfs/dbraw/zinc/65/06/36/1001650636.db2.gz QOFXOPFBGVZHPM-UCFCWBNQSA-N 2 1 424.589 3.508 20 0 HHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000498291714 1001760175 /nfs/dbraw/zinc/76/01/75/1001760175.db2.gz IJGWXOMHDHZIMK-DHIUTWEWSA-N 2 1 400.611 3.934 20 0 HHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000498291714 1001760180 /nfs/dbraw/zinc/76/01/80/1001760180.db2.gz IJGWXOMHDHZIMK-DHIUTWEWSA-N 2 1 400.611 3.934 20 0 HHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000498291714 1001760187 /nfs/dbraw/zinc/76/01/87/1001760187.db2.gz IJGWXOMHDHZIMK-DHIUTWEWSA-N 2 1 400.611 3.934 20 0 HHADMP Cc1ccccc1[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000507184359 1001874043 /nfs/dbraw/zinc/87/40/43/1001874043.db2.gz RWUAQVZTVQANTN-NRFANRHFSA-N 2 1 409.599 3.972 20 0 HHADMP Cc1ccccc1[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000507204345 1001893107 /nfs/dbraw/zinc/89/31/07/1001893107.db2.gz KOXRIQXRZFPBCN-JTHBVZDNSA-N 2 1 405.586 3.954 20 0 HHADMP CC[N@H+]1CCC[C@H](CNC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000507378239 1002034204 /nfs/dbraw/zinc/03/42/04/1002034204.db2.gz KBVNZIFSKDCFFE-XMMPIXPASA-N 2 1 414.638 3.752 20 0 HHADMP CC(C)n1ncc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C1CC1 ZINC000498641319 1002043100 /nfs/dbraw/zinc/04/31/00/1002043100.db2.gz ZGRCRWILNZFKQV-UHFFFAOYSA-N 2 1 415.626 3.610 20 0 HHADMP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C(C)C)[C@H]2c2ccc(F)c(F)c2)[C@H](C)C1 ZINC000498676171 1002067797 /nfs/dbraw/zinc/06/77/97/1002067797.db2.gz PPCAHAHGUXCJFN-XXMUNEJQSA-N 2 1 422.564 3.860 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C(C)C)[C@H]2c2ccc(F)c(F)c2)[C@H](C)C1 ZINC000498676171 1002067802 /nfs/dbraw/zinc/06/78/02/1002067802.db2.gz PPCAHAHGUXCJFN-XXMUNEJQSA-N 2 1 422.564 3.860 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)[C@H](C)C1 ZINC000498676171 1002067807 /nfs/dbraw/zinc/06/78/07/1002067807.db2.gz PPCAHAHGUXCJFN-XXMUNEJQSA-N 2 1 422.564 3.860 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)[C@H](C)C1 ZINC000498676171 1002067816 /nfs/dbraw/zinc/06/78/16/1002067816.db2.gz PPCAHAHGUXCJFN-XXMUNEJQSA-N 2 1 422.564 3.860 20 0 HHADMP O=C([C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N1CCCC1 ZINC000507466808 1002088560 /nfs/dbraw/zinc/08/85/60/1002088560.db2.gz DKNAAJLRCLLILU-QUMGSSFMSA-N 2 1 417.597 3.720 20 0 HHADMP O=C([C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N1CCCC1 ZINC000507466808 1002088572 /nfs/dbraw/zinc/08/85/72/1002088572.db2.gz DKNAAJLRCLLILU-QUMGSSFMSA-N 2 1 417.597 3.720 20 0 HHADMP C[C@@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498707573 1002091426 /nfs/dbraw/zinc/09/14/26/1002091426.db2.gz UOMXDJYAWMBEQM-OFNKIYASSA-N 2 1 400.611 3.660 20 0 HHADMP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cccc(Br)c1 ZINC000507488532 1002102264 /nfs/dbraw/zinc/10/22/64/1002102264.db2.gz VAKXSQQHSRLCDO-PDGJWGCVSA-N 2 1 415.375 3.983 20 0 HHADMP CC(C)C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C(=O)Nc1nccs1 ZINC000507490156 1002103506 /nfs/dbraw/zinc/10/35/06/1002103506.db2.gz ZYOAPAQDFOKOIQ-MHTWAQMVSA-N 2 1 412.603 3.997 20 0 HHADMP CC(C)C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C(=O)Nc1nccs1 ZINC000507490156 1002103500 /nfs/dbraw/zinc/10/35/00/1002103500.db2.gz ZYOAPAQDFOKOIQ-MHTWAQMVSA-N 2 1 412.603 3.997 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000507502998 1002115932 /nfs/dbraw/zinc/11/59/32/1002115932.db2.gz UTFZVXYTNBQPKD-JOCHJYFZSA-N 2 1 415.528 3.912 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCC2(F)F)c1 ZINC000507502998 1002115927 /nfs/dbraw/zinc/11/59/27/1002115927.db2.gz UTFZVXYTNBQPKD-JOCHJYFZSA-N 2 1 415.528 3.912 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000507502998 1002115937 /nfs/dbraw/zinc/11/59/37/1002115937.db2.gz UTFZVXYTNBQPKD-JOCHJYFZSA-N 2 1 415.528 3.912 20 0 HHADMP C[C@H](NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000498798960 1002184053 /nfs/dbraw/zinc/18/40/53/1002184053.db2.gz MHUAVBQMFLFMIV-BURFUSLBSA-N 2 1 403.533 3.664 20 0 HHADMP C[C@H](NC(=O)[C@@H]1C[NH+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000498798960 1002184059 /nfs/dbraw/zinc/18/40/59/1002184059.db2.gz MHUAVBQMFLFMIV-BURFUSLBSA-N 2 1 403.533 3.664 20 0 HHADMP C[C@H](NC(=O)[C@@H]1C[NH+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000498798960 1002184065 /nfs/dbraw/zinc/18/40/65/1002184065.db2.gz MHUAVBQMFLFMIV-BURFUSLBSA-N 2 1 403.533 3.664 20 0 HHADMP COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000499315595 1002722379 /nfs/dbraw/zinc/72/23/79/1002722379.db2.gz YAJZRTWVVPEEHI-UZUQRXQVSA-N 2 1 421.545 3.852 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C/C(C)=C/c3ccccc3COC)CC2)CC1 ZINC000508259052 1002778574 /nfs/dbraw/zinc/77/85/74/1002778574.db2.gz XBJZYJQIBIXBEB-HEHNFIMWSA-N 2 1 413.606 3.503 20 0 HHADMP CC(C)C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1nccs1 ZINC000508720904 1003161473 /nfs/dbraw/zinc/16/14/73/1003161473.db2.gz NUQUIDGJZUUPPR-SXLOBPIMSA-N 2 1 400.592 3.997 20 0 HHADMP CC(C)C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1nccs1 ZINC000508720904 1003161477 /nfs/dbraw/zinc/16/14/77/1003161477.db2.gz NUQUIDGJZUUPPR-SXLOBPIMSA-N 2 1 400.592 3.997 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H](C)[C@@H](c3ccccc3)[NH+](C)C)CC2)cc1 ZINC000508902796 1003339304 /nfs/dbraw/zinc/33/93/04/1003339304.db2.gz DUBUQGLUJDILCN-RDPSFJRHSA-N 2 1 424.589 3.604 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC([NH+]2CCc3ccccc3C2)CC1 ZINC000508910787 1003351086 /nfs/dbraw/zinc/35/10/86/1003351086.db2.gz BKAFGUVZMKGJCE-QFQXNSOFSA-N 2 1 417.597 3.804 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000508910787 1003351121 /nfs/dbraw/zinc/35/11/21/1003351121.db2.gz BKAFGUVZMKGJCE-QFQXNSOFSA-N 2 1 417.597 3.804 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000508910787 1003351152 /nfs/dbraw/zinc/35/11/52/1003351152.db2.gz BKAFGUVZMKGJCE-QFQXNSOFSA-N 2 1 417.597 3.804 20 0 HHADMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000508968149 1003437963 /nfs/dbraw/zinc/43/79/63/1003437963.db2.gz UYDJDRZPTNWGND-IRXDYDNUSA-N 2 1 400.485 3.796 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCC1CCC(F)(F)CC1 ZINC000508973300 1003444318 /nfs/dbraw/zinc/44/43/18/1003444318.db2.gz QWMVCUJMNXHREX-UHFFFAOYSA-N 2 1 414.585 3.650 20 0 HHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000500102123 1003464181 /nfs/dbraw/zinc/46/41/81/1003464181.db2.gz AKTNZWRPEJFZDX-UHFFFAOYSA-N 2 1 408.590 3.864 20 0 HHADMP C[C@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cn(C)c2ccccc12 ZINC000500384981 1003681512 /nfs/dbraw/zinc/68/15/12/1003681512.db2.gz FAVHUDBCVWXPNF-FQEVSTJZSA-N 2 1 424.633 3.937 20 0 HHADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000500422808 1003707827 /nfs/dbraw/zinc/70/78/27/1003707827.db2.gz HPZKATNNSSLKHC-XMMPIXPASA-N 2 1 424.564 3.950 20 0 HHADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000500422808 1003707835 /nfs/dbraw/zinc/70/78/35/1003707835.db2.gz HPZKATNNSSLKHC-XMMPIXPASA-N 2 1 424.564 3.950 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000509365700 1003794623 /nfs/dbraw/zinc/79/46/23/1003794623.db2.gz LENNOJJSBSSENX-FXAWDEMLSA-N 2 1 410.587 3.592 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000509365700 1003794629 /nfs/dbraw/zinc/79/46/29/1003794629.db2.gz LENNOJJSBSSENX-FXAWDEMLSA-N 2 1 410.587 3.592 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000509365700 1003794640 /nfs/dbraw/zinc/79/46/40/1003794640.db2.gz LENNOJJSBSSENX-FXAWDEMLSA-N 2 1 410.587 3.592 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000509365700 1003794646 /nfs/dbraw/zinc/79/46/46/1003794646.db2.gz LENNOJJSBSSENX-FXAWDEMLSA-N 2 1 410.587 3.592 20 0 HHADMP CCC1(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+](Cc2ccccc2)CC1 ZINC000500605623 1003821377 /nfs/dbraw/zinc/82/13/77/1003821377.db2.gz HPQPPAGATGAYFZ-AIZNXBIQSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)NC[C@H](c3ccco3)[NH+](C)C)cc2)C1 ZINC000500646513 1003859641 /nfs/dbraw/zinc/85/96/41/1003859641.db2.gz GYKXQSMRIIDDAC-XQBPLPMBSA-N 2 1 412.578 3.860 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NC[C@H](c3ccco3)[NH+](C)C)cc2)C1 ZINC000500646513 1003859662 /nfs/dbraw/zinc/85/96/62/1003859662.db2.gz GYKXQSMRIIDDAC-XQBPLPMBSA-N 2 1 412.578 3.860 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NC[C@H](c3ccco3)[NH+](C)C)cc2)C1 ZINC000500646512 1003860028 /nfs/dbraw/zinc/86/00/28/1003860028.db2.gz GYKXQSMRIIDDAC-WOIUINJBSA-N 2 1 412.578 3.860 20 0 HHADMP Cc1csc2nc(C)nc(N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)c12 ZINC000500697663 1003902958 /nfs/dbraw/zinc/90/29/58/1003902958.db2.gz MYFIBPXHYKAABB-UHFFFAOYSA-N 2 1 401.624 3.941 20 0 HHADMP CC[C@@H](C)[NH2+][C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)c1ccco1 ZINC000509566205 1003948608 /nfs/dbraw/zinc/94/86/08/1003948608.db2.gz DGTPBYFHGSDPLV-WIYYLYMNSA-N 2 1 416.541 3.765 20 0 HHADMP CC[C@@H](C)[NH2+][C@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)c1ccco1 ZINC000509566205 1003948615 /nfs/dbraw/zinc/94/86/15/1003948615.db2.gz DGTPBYFHGSDPLV-WIYYLYMNSA-N 2 1 416.541 3.765 20 0 HHADMP COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC2 ZINC000500784613 1003954407 /nfs/dbraw/zinc/95/44/07/1003954407.db2.gz ZBRNMYYAFBCMJC-UHFFFAOYSA-N 2 1 407.558 3.562 20 0 HHADMP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2cscc2Br)cc1 ZINC000512068051 1003997082 /nfs/dbraw/zinc/99/70/82/1003997082.db2.gz PLAHWFUXELMEFE-UHFFFAOYSA-N 2 1 422.392 3.626 20 0 HHADMP Brc1ccc2oc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)nc2c1 ZINC000509643007 1004001016 /nfs/dbraw/zinc/00/10/16/1004001016.db2.gz LOSYOXCKQHTLOK-UHFFFAOYSA-N 2 1 408.340 3.667 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCC[C@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000512102868 1004025168 /nfs/dbraw/zinc/02/51/68/1004025168.db2.gz ABFRLWOFGMKSTI-ACIOBRDBSA-N 2 1 400.611 3.707 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000512102868 1004025175 /nfs/dbraw/zinc/02/51/75/1004025175.db2.gz ABFRLWOFGMKSTI-ACIOBRDBSA-N 2 1 400.611 3.707 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000512102868 1004025181 /nfs/dbraw/zinc/02/51/81/1004025181.db2.gz ABFRLWOFGMKSTI-ACIOBRDBSA-N 2 1 400.611 3.707 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000512189872 1004091514 /nfs/dbraw/zinc/09/15/14/1004091514.db2.gz QBTYRHQVFSLGHN-XZOQPEGZSA-N 2 1 414.638 3.954 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000512189872 1004091520 /nfs/dbraw/zinc/09/15/20/1004091520.db2.gz QBTYRHQVFSLGHN-XZOQPEGZSA-N 2 1 414.638 3.954 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000512189872 1004091531 /nfs/dbraw/zinc/09/15/31/1004091531.db2.gz QBTYRHQVFSLGHN-XZOQPEGZSA-N 2 1 414.638 3.954 20 0 HHADMP CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501027883 1004131558 /nfs/dbraw/zinc/13/15/58/1004131558.db2.gz WXPHXATZRGSWDZ-HSZRJFAPSA-N 2 1 424.589 3.896 20 0 HHADMP O=C(CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)N1CCc2sccc2C1 ZINC000512247341 1004150503 /nfs/dbraw/zinc/15/05/03/1004150503.db2.gz XUAYSCCNWGPNOY-DEOSSOPVSA-N 2 1 409.599 3.621 20 0 HHADMP O=C(CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)N1CCc2sccc2C1 ZINC000512247341 1004150514 /nfs/dbraw/zinc/15/05/14/1004150514.db2.gz XUAYSCCNWGPNOY-DEOSSOPVSA-N 2 1 409.599 3.621 20 0 HHADMP O=C(CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N1CCc2sccc2C1 ZINC000512247341 1004150519 /nfs/dbraw/zinc/15/05/19/1004150519.db2.gz XUAYSCCNWGPNOY-DEOSSOPVSA-N 2 1 409.599 3.621 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CC1 ZINC000501051258 1004153576 /nfs/dbraw/zinc/15/35/76/1004153576.db2.gz IGAONSJLTMXKLY-INIZCTEOSA-N 2 1 404.546 3.757 20 0 HHADMP C[N@@H+](C[C@H](O)CO[C@@H]1CCCc2ccccc21)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501067982 1004170385 /nfs/dbraw/zinc/17/03/85/1004170385.db2.gz JLQFNBRKNRXSIE-UKILVPOCSA-N 2 1 409.574 3.685 20 0 HHADMP Cc1ccc(CN(C(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)C2CC2)cc1 ZINC000501067679 1004170519 /nfs/dbraw/zinc/17/05/19/1004170519.db2.gz INZQNCQFBCYOQA-UHFFFAOYSA-N 2 1 406.574 3.729 20 0 HHADMP CCC[N@H+](CCc1nc2ccccc2c(=O)[nH]1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512278260 1004179125 /nfs/dbraw/zinc/17/91/25/1004179125.db2.gz IYRLKSZLKNYPHJ-UHFFFAOYSA-N 2 1 420.561 3.666 20 0 HHADMP CCC[N@@H+](CCc1nc2ccccc2c(=O)[nH]1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512278260 1004179132 /nfs/dbraw/zinc/17/91/32/1004179132.db2.gz IYRLKSZLKNYPHJ-UHFFFAOYSA-N 2 1 420.561 3.666 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000501086026 1004191036 /nfs/dbraw/zinc/19/10/36/1004191036.db2.gz UWKKSWLUTBNBAF-OFNKIYASSA-N 2 1 421.589 3.602 20 0 HHADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000501089374 1004195658 /nfs/dbraw/zinc/19/56/58/1004195658.db2.gz QHYZYTJKMVOITM-UAMLPYHUSA-N 2 1 422.976 3.740 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CCc3ccccc3C2)CC1 ZINC000512316190 1004211507 /nfs/dbraw/zinc/21/15/07/1004211507.db2.gz XDKWCZXBEADBAW-VWLOTQADSA-N 2 1 405.586 3.565 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)NCCC[N@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000501163566 1004246904 /nfs/dbraw/zinc/24/69/04/1004246904.db2.gz NKHUYYFPWGXNLS-JOCHJYFZSA-N 2 1 414.619 3.879 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)NCC[C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512392997 1004266302 /nfs/dbraw/zinc/26/63/02/1004266302.db2.gz NADIQTUIHRCFGW-FYYLOGMGSA-N 2 1 421.589 3.522 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)NCC[C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512392997 1004266308 /nfs/dbraw/zinc/26/63/08/1004266308.db2.gz NADIQTUIHRCFGW-FYYLOGMGSA-N 2 1 421.589 3.522 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)c2ccccc2OCC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000510119343 1004337526 /nfs/dbraw/zinc/33/75/26/1004337526.db2.gz NVLCXCDKQYVHAX-IRLDBZIGSA-N 2 1 409.574 3.658 20 0 HHADMP CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000512487084 1004337821 /nfs/dbraw/zinc/33/78/21/1004337821.db2.gz PXUNBVCGZAGZMP-IFMALSPDSA-N 2 1 414.638 3.734 20 0 HHADMP Cc1ccc(C)c(OCCC[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512487568 1004338061 /nfs/dbraw/zinc/33/80/61/1004338061.db2.gz WLYMDCVBIMUTQR-VWLOTQADSA-N 2 1 407.602 3.964 20 0 HHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000501388903 1004384682 /nfs/dbraw/zinc/38/46/82/1004384682.db2.gz VLDFUBDMDRFMSI-YVNJGZBMSA-N 2 1 412.578 3.919 20 0 HHADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000501391651 1004386696 /nfs/dbraw/zinc/38/66/96/1004386696.db2.gz MXORZUICMDFBIS-CKUXNOBLSA-N 2 1 424.589 3.508 20 0 HHADMP C[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501402004 1004393812 /nfs/dbraw/zinc/39/38/12/1004393812.db2.gz GTWPZCPIOAISMM-ZEYPLWLESA-N 2 1 412.553 3.638 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H]1c1ccc(F)c(F)c1 ZINC000501427734 1004414536 /nfs/dbraw/zinc/41/45/36/1004414536.db2.gz ZQOMQMDGTJJNTL-ODJQXBHQSA-N 2 1 420.548 3.755 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H]1c1ccc(F)c(F)c1 ZINC000501427734 1004414544 /nfs/dbraw/zinc/41/45/44/1004414544.db2.gz ZQOMQMDGTJJNTL-ODJQXBHQSA-N 2 1 420.548 3.755 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H]1c1ccc(F)c(F)c1 ZINC000501427734 1004414552 /nfs/dbraw/zinc/41/45/52/1004414552.db2.gz ZQOMQMDGTJJNTL-ODJQXBHQSA-N 2 1 420.548 3.755 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1c1ccc(F)c(F)c1 ZINC000501427734 1004414557 /nfs/dbraw/zinc/41/45/57/1004414557.db2.gz ZQOMQMDGTJJNTL-ODJQXBHQSA-N 2 1 420.548 3.755 20 0 HHADMP O=S(=O)(CCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000512625959 1004438895 /nfs/dbraw/zinc/43/88/95/1004438895.db2.gz RAOBPOCFZJNXGM-GMKZXUHWSA-N 2 1 412.599 3.741 20 0 HHADMP O=S(=O)(CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000512625959 1004438904 /nfs/dbraw/zinc/43/89/04/1004438904.db2.gz RAOBPOCFZJNXGM-GMKZXUHWSA-N 2 1 412.599 3.741 20 0 HHADMP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)cn2)CCO1 ZINC000512646645 1004458288 /nfs/dbraw/zinc/45/82/88/1004458288.db2.gz BWEOXQFKYCMBKE-KMRPREKFSA-N 2 1 420.601 3.697 20 0 HHADMP c1ncn(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)cc2)n1 ZINC000512646763 1004458312 /nfs/dbraw/zinc/45/83/12/1004458312.db2.gz CYLLCBQCUGMHRY-CCDWMCETSA-N 2 1 401.558 3.717 20 0 HHADMP CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000512667241 1004476993 /nfs/dbraw/zinc/47/69/93/1004476993.db2.gz OMXPWYFXHYMMOK-WXFUMESZSA-N 2 1 412.599 3.622 20 0 HHADMP C[C@H](NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000512687961 1004494028 /nfs/dbraw/zinc/49/40/28/1004494028.db2.gz AAEQLKXAPKLTEM-FPOVZHCZSA-N 2 1 400.611 3.849 20 0 HHADMP C[C@H](NC(=O)NC(C)(C)C[NH+](C)Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512687961 1004494031 /nfs/dbraw/zinc/49/40/31/1004494031.db2.gz AAEQLKXAPKLTEM-FPOVZHCZSA-N 2 1 400.611 3.849 20 0 HHADMP C[C@H](NC(=O)NC(C)(C)C[NH+](C)Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512687961 1004494035 /nfs/dbraw/zinc/49/40/35/1004494035.db2.gz AAEQLKXAPKLTEM-FPOVZHCZSA-N 2 1 400.611 3.849 20 0 HHADMP C[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCCC[C@@H]1C ZINC000501553746 1004511493 /nfs/dbraw/zinc/51/14/93/1004511493.db2.gz RPLMJMRYQIQUKO-RBUKOAKNSA-N 2 1 407.002 3.820 20 0 HHADMP C[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCCC[C@@H]1C ZINC000501553746 1004511497 /nfs/dbraw/zinc/51/14/97/1004511497.db2.gz RPLMJMRYQIQUKO-RBUKOAKNSA-N 2 1 407.002 3.820 20 0 HHADMP C[C@H](CNC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000501553746 1004511500 /nfs/dbraw/zinc/51/15/00/1004511500.db2.gz RPLMJMRYQIQUKO-RBUKOAKNSA-N 2 1 407.002 3.820 20 0 HHADMP C[C@H](CNC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000501553746 1004511506 /nfs/dbraw/zinc/51/15/06/1004511506.db2.gz RPLMJMRYQIQUKO-RBUKOAKNSA-N 2 1 407.002 3.820 20 0 HHADMP C[C@@H](NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512713328 1004512536 /nfs/dbraw/zinc/51/25/36/1004512536.db2.gz ZLSWWAIIHBYQOH-RTBURBONSA-N 2 1 402.583 3.538 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C[C@H]1C ZINC000512800962 1004567050 /nfs/dbraw/zinc/56/70/50/1004567050.db2.gz BTKPRNKNLZFQSG-CBQOVEMMSA-N 2 1 404.599 3.591 20 0 HHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(Br)c1OC(F)F ZINC000512803730 1004568460 /nfs/dbraw/zinc/56/84/60/1004568460.db2.gz ABFHUASEUGLWNP-OLZOCXBDSA-N 2 1 405.283 3.776 20 0 HHADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(Br)c1OC(F)F ZINC000512803730 1004568468 /nfs/dbraw/zinc/56/84/68/1004568468.db2.gz ABFHUASEUGLWNP-OLZOCXBDSA-N 2 1 405.283 3.776 20 0 HHADMP Cc1cnn([C@H]2CC[NH+](Cc3ccccc3)C2)c1NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000501667404 1004585453 /nfs/dbraw/zinc/58/54/53/1004585453.db2.gz VNUPIYJFAPEPMX-VXKWHMMOSA-N 2 1 409.578 3.842 20 0 HHADMP Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000501667404 1004585458 /nfs/dbraw/zinc/58/54/58/1004585458.db2.gz VNUPIYJFAPEPMX-VXKWHMMOSA-N 2 1 409.578 3.842 20 0 HHADMP Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000501667404 1004585464 /nfs/dbraw/zinc/58/54/64/1004585464.db2.gz VNUPIYJFAPEPMX-VXKWHMMOSA-N 2 1 409.578 3.842 20 0 HHADMP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)CC1 ZINC000510476089 1004592612 /nfs/dbraw/zinc/59/26/12/1004592612.db2.gz WQMXOKHZQLWGBB-UHFFFAOYSA-N 2 1 401.558 3.573 20 0 HHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)CC1 ZINC000510476089 1004592620 /nfs/dbraw/zinc/59/26/20/1004592620.db2.gz WQMXOKHZQLWGBB-UHFFFAOYSA-N 2 1 401.558 3.573 20 0 HHADMP O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000512847915 1004610663 /nfs/dbraw/zinc/61/06/63/1004610663.db2.gz XJANOCGCKNBCGR-IBGZPJMESA-N 2 1 424.511 3.550 20 0 HHADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512851986 1004615088 /nfs/dbraw/zinc/61/50/88/1004615088.db2.gz LRYUIVIJSLGCNA-RBUKOAKNSA-N 2 1 424.511 3.596 20 0 HHADMP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512851986 1004615099 /nfs/dbraw/zinc/61/50/99/1004615099.db2.gz LRYUIVIJSLGCNA-RBUKOAKNSA-N 2 1 424.511 3.596 20 0 HHADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512851986 1004615108 /nfs/dbraw/zinc/61/51/08/1004615108.db2.gz LRYUIVIJSLGCNA-RBUKOAKNSA-N 2 1 424.511 3.596 20 0 HHADMP CN(c1ccccc1C[N@@H+]1CCc2c(cnn2-c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000510549268 1004684218 /nfs/dbraw/zinc/68/42/18/1004684218.db2.gz COWZHJUAZMDGFK-UHFFFAOYSA-N 2 1 415.585 3.961 20 0 HHADMP CN(c1ccccc1C[N@H+]1CCc2c(cnn2-c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000510549268 1004684325 /nfs/dbraw/zinc/68/43/25/1004684325.db2.gz COWZHJUAZMDGFK-UHFFFAOYSA-N 2 1 415.585 3.961 20 0 HHADMP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000501786523 1004728808 /nfs/dbraw/zinc/72/88/08/1004728808.db2.gz RJKRBMDGIVTVKE-UHFFFAOYSA-N 2 1 404.555 3.942 20 0 HHADMP C[NH+](C)CCCC1CC[NH+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)CC1 ZINC000501797903 1004741247 /nfs/dbraw/zinc/74/12/47/1004741247.db2.gz XESMDNPQLHZRJK-FQEVSTJZSA-N 2 1 412.534 3.604 20 0 HHADMP C[C@@H](NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510595652 1004741605 /nfs/dbraw/zinc/74/16/05/1004741605.db2.gz GQSAZKBNZVSIED-YUTDQEIESA-N 2 1 404.643 3.982 20 0 HHADMP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000501811175 1004751357 /nfs/dbraw/zinc/75/13/57/1004751357.db2.gz VUBSFNQIHNHVHM-XMMPIXPASA-N 2 1 406.574 3.659 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000513047997 1004777683 /nfs/dbraw/zinc/77/76/83/1004777683.db2.gz WSRSOOYWCQEGLK-NIJXNBFTSA-N 2 1 411.565 3.842 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000513047997 1004777693 /nfs/dbraw/zinc/77/76/93/1004777693.db2.gz WSRSOOYWCQEGLK-NIJXNBFTSA-N 2 1 411.565 3.842 20 0 HHADMP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000513053847 1004781162 /nfs/dbraw/zinc/78/11/62/1004781162.db2.gz YTHRMBRBLMNGSX-KNQAVFIVSA-N 2 1 421.651 3.848 20 0 HHADMP O=C(Cc1ccccc1)N1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000510945801 1004947863 /nfs/dbraw/zinc/94/78/63/1004947863.db2.gz MTAWBXOHQRTYQG-RUZDIDTESA-N 2 1 423.576 3.656 20 0 HHADMP C[C@H]1C[NH+](CCCNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C[C@H](C)O1 ZINC000510957566 1004953880 /nfs/dbraw/zinc/95/38/80/1004953880.db2.gz HKLZOFAVBKPPIU-SFTDATJTSA-N 2 1 409.574 3.548 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)cc1 ZINC000510962497 1004955949 /nfs/dbraw/zinc/95/59/49/1004955949.db2.gz RAXNPUNFRRFXEE-RXVVDRJESA-N 2 1 404.514 3.511 20 0 HHADMP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1 ZINC000511003558 1004975537 /nfs/dbraw/zinc/97/55/37/1004975537.db2.gz YHAQXVMDLJZFGI-OALUTQOASA-N 2 1 422.573 3.994 20 0 HHADMP C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511004302 1004975635 /nfs/dbraw/zinc/97/56/35/1004975635.db2.gz YEOUYAXOXKRWQU-LPHOPBHVSA-N 2 1 405.384 3.924 20 0 HHADMP C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511004302 1004975638 /nfs/dbraw/zinc/97/56/38/1004975638.db2.gz YEOUYAXOXKRWQU-LPHOPBHVSA-N 2 1 405.384 3.924 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(C(=O)Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000511017790 1004981824 /nfs/dbraw/zinc/98/18/24/1004981824.db2.gz SBAYQUFRSPVJFF-SDUSCBPUSA-N 2 1 405.586 3.863 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(C(=O)Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000511017790 1004981830 /nfs/dbraw/zinc/98/18/30/1004981830.db2.gz SBAYQUFRSPVJFF-SDUSCBPUSA-N 2 1 405.586 3.863 20 0 HHADMP CCN(C(C)=O)c1nc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cs1 ZINC000513514747 1004999561 /nfs/dbraw/zinc/99/95/61/1004999561.db2.gz YMTNUOZYQJKKQD-FXAWDEMLSA-N 2 1 400.592 3.906 20 0 HHADMP CCN(C(C)=O)c1nc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cs1 ZINC000513514747 1004999567 /nfs/dbraw/zinc/99/95/67/1004999567.db2.gz YMTNUOZYQJKKQD-FXAWDEMLSA-N 2 1 400.592 3.906 20 0 HHADMP CC[N@H+](Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1)C(C)C ZINC000511070260 1005006078 /nfs/dbraw/zinc/00/60/78/1005006078.db2.gz RZKDFPQFRPJGBF-UHFFFAOYSA-N 2 1 409.574 3.679 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1)C(C)C ZINC000511070260 1005006082 /nfs/dbraw/zinc/00/60/82/1005006082.db2.gz RZKDFPQFRPJGBF-UHFFFAOYSA-N 2 1 409.574 3.679 20 0 HHADMP CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC000513692307 1005084260 /nfs/dbraw/zinc/08/42/60/1005084260.db2.gz YYHAWTVUIDKVHO-SSGKUCQKSA-N 2 1 407.606 3.997 20 0 HHADMP C[C@H](NC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C1=CC[N@H+](C)CC1 ZINC000511236370 1005085814 /nfs/dbraw/zinc/08/58/14/1005085814.db2.gz VFTBLRKSMQNVPQ-NRFANRHFSA-N 2 1 418.585 3.754 20 0 HHADMP C[C@H](NC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000511236370 1005085818 /nfs/dbraw/zinc/08/58/18/1005085818.db2.gz VFTBLRKSMQNVPQ-NRFANRHFSA-N 2 1 418.585 3.754 20 0 HHADMP C[C@@H](CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[N@@H+]1CCc2sccc2C1 ZINC000502502695 1005094442 /nfs/dbraw/zinc/09/44/42/1005094442.db2.gz QTNKAYNNYHIHMW-IBGZPJMESA-N 2 1 418.651 3.792 20 0 HHADMP C[C@@H](CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[N@H+]1CCc2sccc2C1 ZINC000502502695 1005094445 /nfs/dbraw/zinc/09/44/45/1005094445.db2.gz QTNKAYNNYHIHMW-IBGZPJMESA-N 2 1 418.651 3.792 20 0 HHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1 ZINC000511376112 1005146531 /nfs/dbraw/zinc/14/65/31/1005146531.db2.gz GDKARSCEBHRVHQ-DHIUTWEWSA-N 2 1 401.982 3.953 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cnn(C2CCCC2)c1 ZINC000502680495 1005177516 /nfs/dbraw/zinc/17/75/16/1005177516.db2.gz AOAGUDFHIRGHSG-RXVVDRJESA-N 2 1 409.578 3.546 20 0 HHADMP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2)[C@H](C)Cc2ccccc2OC)CC1 ZINC000513963039 1005204424 /nfs/dbraw/zinc/20/44/24/1005204424.db2.gz JWGRDRWJCXZOGS-OAQYLSRUSA-N 2 1 423.601 3.729 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)NC3CCC([NH+]4CCC(C)CC4)CC3)CC2)[nH+]1 ZINC000502806816 1005225841 /nfs/dbraw/zinc/22/58/41/1005225841.db2.gz ZCFPKUYLCLDFTC-UHFFFAOYSA-N 2 1 413.610 3.701 20 0 HHADMP C[C@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000502849295 1005243206 /nfs/dbraw/zinc/24/32/06/1005243206.db2.gz XQPGZURPGGJMLE-OAQYLSRUSA-N 2 1 420.601 3.739 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)cc1 ZINC000511636420 1005254472 /nfs/dbraw/zinc/25/44/72/1005254472.db2.gz NRDNLCGNSHQAMW-HSZRJFAPSA-N 2 1 422.573 3.621 20 0 HHADMP CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCC[C@@H]3C(N)=O)c2)cc1 ZINC000511636420 1005254475 /nfs/dbraw/zinc/25/44/75/1005254475.db2.gz NRDNLCGNSHQAMW-HSZRJFAPSA-N 2 1 422.573 3.621 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCC[C@@H]3C(N)=O)c2)cc1 ZINC000511636420 1005254478 /nfs/dbraw/zinc/25/44/78/1005254478.db2.gz NRDNLCGNSHQAMW-HSZRJFAPSA-N 2 1 422.573 3.621 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)cc1 ZINC000511636420 1005254480 /nfs/dbraw/zinc/25/44/80/1005254480.db2.gz NRDNLCGNSHQAMW-HSZRJFAPSA-N 2 1 422.573 3.621 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)cc1 ZINC000511636420 1005254482 /nfs/dbraw/zinc/25/44/82/1005254482.db2.gz NRDNLCGNSHQAMW-HSZRJFAPSA-N 2 1 422.573 3.621 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000511678371 1005272941 /nfs/dbraw/zinc/27/29/41/1005272941.db2.gz ZGGQKOVSHIFNQO-WMZHIEFXSA-N 2 1 409.599 3.801 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000514119154 1005274455 /nfs/dbraw/zinc/27/44/55/1005274455.db2.gz RNDKQLCYJLHTPM-WOJBJXKFSA-N 2 1 406.640 3.771 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000514119154 1005274460 /nfs/dbraw/zinc/27/44/60/1005274460.db2.gz RNDKQLCYJLHTPM-WOJBJXKFSA-N 2 1 406.640 3.771 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000514119154 1005274466 /nfs/dbraw/zinc/27/44/66/1005274466.db2.gz RNDKQLCYJLHTPM-WOJBJXKFSA-N 2 1 406.640 3.771 20 0 HHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCCC[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000502946551 1005287416 /nfs/dbraw/zinc/28/74/16/1005287416.db2.gz BKOJEFPLVSULFB-HXUWFJFHSA-N 2 1 408.590 3.863 20 0 HHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000514177026 1005299667 /nfs/dbraw/zinc/29/96/67/1005299667.db2.gz ZWHMTXZXSNQEHS-LEWJYISDSA-N 2 1 412.603 3.534 20 0 HHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000514177026 1005299672 /nfs/dbraw/zinc/29/96/72/1005299672.db2.gz ZWHMTXZXSNQEHS-LEWJYISDSA-N 2 1 412.603 3.534 20 0 HHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000514177026 1005299680 /nfs/dbraw/zinc/29/96/80/1005299680.db2.gz ZWHMTXZXSNQEHS-LEWJYISDSA-N 2 1 412.603 3.534 20 0 HHADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000514232790 1005324633 /nfs/dbraw/zinc/32/46/33/1005324633.db2.gz QFKFMSLUACMSOZ-UHFFFAOYSA-N 2 1 420.601 3.646 20 0 HHADMP CC(C)(C)OC(=O)c1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000514243529 1005330157 /nfs/dbraw/zinc/33/01/57/1005330157.db2.gz UKGJTODDHKBPEH-QHCPKHFHSA-N 2 1 410.558 3.888 20 0 HHADMP O=C(NCCC[NH+]1CCCC1)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000503091502 1005345158 /nfs/dbraw/zinc/34/51/58/1005345158.db2.gz URSVQESPQIGLSN-NRFANRHFSA-N 2 1 412.603 3.633 20 0 HHADMP O=C(NCCC[NH+]1CCCC1)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000503091502 1005345161 /nfs/dbraw/zinc/34/51/61/1005345161.db2.gz URSVQESPQIGLSN-NRFANRHFSA-N 2 1 412.603 3.633 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)o1 ZINC000504024420 1005535042 /nfs/dbraw/zinc/53/50/42/1005535042.db2.gz JMEOXTRXKBKSNR-HXUWFJFHSA-N 2 1 401.526 3.530 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(CC[NH+](C)C)Cc2ccccn2)C1 ZINC000504398765 1005618760 /nfs/dbraw/zinc/61/87/60/1005618760.db2.gz IICGTWCVBORQJI-NRFANRHFSA-N 2 1 423.605 3.587 20 0 HHADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000504434463 1005627882 /nfs/dbraw/zinc/62/78/82/1005627882.db2.gz MUVYAVKRUMMNBR-QFIPXVFZSA-N 2 1 400.611 3.805 20 0 HHADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000514833563 1006163827 /nfs/dbraw/zinc/16/38/27/1006163827.db2.gz JEGDJVJJZPNIIG-LOSJGSFVSA-N 2 1 420.601 3.712 20 0 HHADMP O=C(NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000514833563 1006163830 /nfs/dbraw/zinc/16/38/30/1006163830.db2.gz JEGDJVJJZPNIIG-LOSJGSFVSA-N 2 1 420.601 3.712 20 0 HHADMP O=C(NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000514833563 1006163840 /nfs/dbraw/zinc/16/38/40/1006163840.db2.gz JEGDJVJJZPNIIG-LOSJGSFVSA-N 2 1 420.601 3.712 20 0 HHADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000514833562 1006164114 /nfs/dbraw/zinc/16/41/14/1006164114.db2.gz JEGDJVJJZPNIIG-JWQCQUIFSA-N 2 1 420.601 3.712 20 0 HHADMP O=C(NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000514833562 1006164121 /nfs/dbraw/zinc/16/41/21/1006164121.db2.gz JEGDJVJJZPNIIG-JWQCQUIFSA-N 2 1 420.601 3.712 20 0 HHADMP O=C(NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000514833562 1006164128 /nfs/dbraw/zinc/16/41/28/1006164128.db2.gz JEGDJVJJZPNIIG-JWQCQUIFSA-N 2 1 420.601 3.712 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)CC1 ZINC000531443479 1006200233 /nfs/dbraw/zinc/20/02/33/1006200233.db2.gz OZIFNTZIZKIWFD-BGYRXZFFSA-N 2 1 422.573 3.854 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)CC1 ZINC000531443479 1006200245 /nfs/dbraw/zinc/20/02/45/1006200245.db2.gz OZIFNTZIZKIWFD-BGYRXZFFSA-N 2 1 422.573 3.854 20 0 HHADMP C[C@H]1CCN(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000534233885 1006235340 /nfs/dbraw/zinc/23/53/40/1006235340.db2.gz FXXFWEXPSDXRLH-IBGZPJMESA-N 2 1 412.553 3.693 20 0 HHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534249077 1006255596 /nfs/dbraw/zinc/25/55/96/1006255596.db2.gz AKYFSYOBDOIPSI-LQWHRVPQSA-N 2 1 424.992 3.988 20 0 HHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534249077 1006255606 /nfs/dbraw/zinc/25/56/06/1006255606.db2.gz AKYFSYOBDOIPSI-LQWHRVPQSA-N 2 1 424.992 3.988 20 0 HHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534249077 1006255619 /nfs/dbraw/zinc/25/56/19/1006255619.db2.gz AKYFSYOBDOIPSI-LQWHRVPQSA-N 2 1 424.992 3.988 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000534248771 1006255785 /nfs/dbraw/zinc/25/57/85/1006255785.db2.gz ACPJUXPNRJEORY-STRKUORWSA-N 2 1 424.992 3.844 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000534248771 1006255798 /nfs/dbraw/zinc/25/57/98/1006255798.db2.gz ACPJUXPNRJEORY-STRKUORWSA-N 2 1 424.992 3.844 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000534248771 1006255804 /nfs/dbraw/zinc/25/58/04/1006255804.db2.gz ACPJUXPNRJEORY-STRKUORWSA-N 2 1 424.992 3.844 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000534253195 1006261915 /nfs/dbraw/zinc/26/19/15/1006261915.db2.gz UVQKGIWVQYHIMH-JOCHJYFZSA-N 2 1 419.491 3.819 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cc1F ZINC000534257095 1006265307 /nfs/dbraw/zinc/26/53/07/1006265307.db2.gz MITSMBMHXUKQQJ-UHFFFAOYSA-N 2 1 412.553 3.523 20 0 HHADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000531677278 1006348471 /nfs/dbraw/zinc/34/84/71/1006348471.db2.gz FJSJWWNYBOPTEK-AVRDEDQJSA-N 2 1 409.603 3.882 20 0 HHADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000531677280 1006349217 /nfs/dbraw/zinc/34/92/17/1006349217.db2.gz FJSJWWNYBOPTEK-PGRDOPGGSA-N 2 1 409.603 3.882 20 0 HHADMP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000531702944 1006365799 /nfs/dbraw/zinc/36/57/99/1006365799.db2.gz VTPWDIVJHXSBPR-XXBNENTESA-N 2 1 421.651 3.647 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CSCCc4ccccc43)c2)C1 ZINC000531714450 1006372916 /nfs/dbraw/zinc/37/29/16/1006372916.db2.gz QARYEOHTAXOFRJ-GMAHTHKFSA-N 2 1 409.599 3.504 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1 ZINC000531950787 1006539214 /nfs/dbraw/zinc/53/92/14/1006539214.db2.gz GSJNDZBTEXKVEA-HOYKHHGWSA-N 2 1 418.541 3.940 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000515576299 1006544623 /nfs/dbraw/zinc/54/46/23/1006544623.db2.gz OUPJTXNZGBAFMX-HZPDHXFCSA-N 2 1 405.329 3.882 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000531958269 1006546270 /nfs/dbraw/zinc/54/62/70/1006546270.db2.gz ZPFSIJJLMNJYQS-DLBZAZTESA-N 2 1 412.559 3.843 20 0 HHADMP CCCOc1c(Cl)cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1OCC ZINC000532016088 1006577681 /nfs/dbraw/zinc/57/76/81/1006577681.db2.gz PLGJROULZYIOEY-VQTJNVASSA-N 2 1 410.986 3.995 20 0 HHADMP C[N@H+](CCOc1cccc(C[NH2+]Cc2cc(F)c(F)cc2F)c1)C1CCOCC1 ZINC000538392778 1006662713 /nfs/dbraw/zinc/66/27/13/1006662713.db2.gz NNGMJXBZTPSCGE-UHFFFAOYSA-N 2 1 408.464 3.883 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000534683483 1006662625 /nfs/dbraw/zinc/66/26/25/1006662625.db2.gz VJOYCUNBAZSISJ-PZUNEJSGSA-N 2 1 420.601 3.985 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000534683483 1006662632 /nfs/dbraw/zinc/66/26/32/1006662632.db2.gz VJOYCUNBAZSISJ-PZUNEJSGSA-N 2 1 420.601 3.985 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000534683483 1006662634 /nfs/dbraw/zinc/66/26/34/1006662634.db2.gz VJOYCUNBAZSISJ-PZUNEJSGSA-N 2 1 420.601 3.985 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2cc(F)c(F)cc2F)c1)C1CCOCC1 ZINC000538392778 1006662717 /nfs/dbraw/zinc/66/27/17/1006662717.db2.gz NNGMJXBZTPSCGE-UHFFFAOYSA-N 2 1 408.464 3.883 20 0 HHADMP C[C@H](CCc1cccc(F)c1)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000532193969 1006711709 /nfs/dbraw/zinc/71/17/09/1006711709.db2.gz NVLRTOXDRSCRFF-LJQANCHMSA-N 2 1 413.537 3.597 20 0 HHADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)CC1 ZINC000538445522 1006712547 /nfs/dbraw/zinc/71/25/47/1006712547.db2.gz ORSINJPLFIVXEE-UHFFFAOYSA-N 2 1 402.336 3.775 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2CNC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000532296023 1006778631 /nfs/dbraw/zinc/77/86/31/1006778631.db2.gz QTMUTUVMNRCMLH-UHFFFAOYSA-N 2 1 406.618 3.973 20 0 HHADMP CCN1CC[NH+](Cc2ccc(N[C@@H](C)c3ccc(OCC[NH+](C)C)cc3)cc2)CC1 ZINC000538538923 1006800559 /nfs/dbraw/zinc/80/05/59/1006800559.db2.gz QAUSZPGSVJLIIV-NRFANRHFSA-N 2 1 410.606 3.938 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000532394824 1006842867 /nfs/dbraw/zinc/84/28/67/1006842867.db2.gz VWAIMJHOONUARS-SFTDATJTSA-N 2 1 414.638 3.905 20 0 HHADMP C[N@@H+]1CC[C@@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534830963 1006843920 /nfs/dbraw/zinc/84/39/20/1006843920.db2.gz CKJYSHCPTCALKQ-RTWAWAEBSA-N 2 1 404.986 3.745 20 0 HHADMP C[N@H+]1CC[C@@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534830963 1006843931 /nfs/dbraw/zinc/84/39/31/1006843931.db2.gz CKJYSHCPTCALKQ-RTWAWAEBSA-N 2 1 404.986 3.745 20 0 HHADMP C[N@@H+]1CC[C@@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000534844076 1006863052 /nfs/dbraw/zinc/86/30/52/1006863052.db2.gz FTEKUQNOXQERCF-NHCUHLMSSA-N 2 1 404.986 3.745 20 0 HHADMP C[N@H+]1CC[C@@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000534844076 1006863056 /nfs/dbraw/zinc/86/30/56/1006863056.db2.gz FTEKUQNOXQERCF-NHCUHLMSSA-N 2 1 404.986 3.745 20 0 HHADMP C[NH+]1CC[C@@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000534844076 1006863058 /nfs/dbraw/zinc/86/30/58/1006863058.db2.gz FTEKUQNOXQERCF-NHCUHLMSSA-N 2 1 404.986 3.745 20 0 HHADMP C[NH+]1CC[C@@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000534844076 1006863063 /nfs/dbraw/zinc/86/30/63/1006863063.db2.gz FTEKUQNOXQERCF-NHCUHLMSSA-N 2 1 404.986 3.745 20 0 HHADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000532442809 1006885200 /nfs/dbraw/zinc/88/52/00/1006885200.db2.gz IPRCBCLONXWORA-GHTZIAJQSA-N 2 1 412.603 3.514 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)CC[NH+]2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538661367 1006935262 /nfs/dbraw/zinc/93/52/62/1006935262.db2.gz DTWSHTNXTMZZSG-PMACEKPBSA-N 2 1 410.965 3.740 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N(C)CC[NH+]2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538661367 1006935276 /nfs/dbraw/zinc/93/52/76/1006935276.db2.gz DTWSHTNXTMZZSG-PMACEKPBSA-N 2 1 410.965 3.740 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)C[C@H]2CCC[NH+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538665956 1006949241 /nfs/dbraw/zinc/94/92/41/1006949241.db2.gz OIQRNSYZHGVAJO-NDXORKPFSA-N 2 1 424.992 3.986 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N(C)C[C@H]2CCC[NH+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538665956 1006949247 /nfs/dbraw/zinc/94/92/47/1006949247.db2.gz OIQRNSYZHGVAJO-NDXORKPFSA-N 2 1 424.992 3.986 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538665956 1006949252 /nfs/dbraw/zinc/94/92/52/1006949252.db2.gz OIQRNSYZHGVAJO-NDXORKPFSA-N 2 1 424.992 3.986 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538665956 1006949260 /nfs/dbraw/zinc/94/92/60/1006949260.db2.gz OIQRNSYZHGVAJO-NDXORKPFSA-N 2 1 424.992 3.986 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000516259197 1006978498 /nfs/dbraw/zinc/97/84/98/1006978498.db2.gz YLEVJHQRWIPNPN-UHFFFAOYSA-N 2 1 419.963 3.924 20 0 HHADMP COC(=O)c1c(C)[nH]c(C(=O)C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1C ZINC000534964857 1007015451 /nfs/dbraw/zinc/01/54/51/1007015451.db2.gz DBYISXQKDOOBJF-UHFFFAOYSA-N 2 1 423.557 3.589 20 0 HHADMP COC(=O)c1c(C)[nH]c(C(=O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1C ZINC000534964857 1007015465 /nfs/dbraw/zinc/01/54/65/1007015465.db2.gz DBYISXQKDOOBJF-UHFFFAOYSA-N 2 1 423.557 3.589 20 0 HHADMP CC(C)n1nccc1NC(=O)[C@@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534967114 1007020636 /nfs/dbraw/zinc/02/06/36/1007020636.db2.gz CJQPMPNLWYKQCP-HXUWFJFHSA-N 2 1 409.578 3.779 20 0 HHADMP CC(C)n1nccc1NC(=O)[C@@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534967114 1007020649 /nfs/dbraw/zinc/02/06/49/1007020649.db2.gz CJQPMPNLWYKQCP-HXUWFJFHSA-N 2 1 409.578 3.779 20 0 HHADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)N2CCC3(CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000534994470 1007053964 /nfs/dbraw/zinc/05/39/64/1007053964.db2.gz FMBFSRUYVNGEAK-XMMPIXPASA-N 2 1 418.585 3.871 20 0 HHADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N2CCC3(CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000534994470 1007053980 /nfs/dbraw/zinc/05/39/80/1007053980.db2.gz FMBFSRUYVNGEAK-XMMPIXPASA-N 2 1 418.585 3.871 20 0 HHADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000534994470 1007053997 /nfs/dbraw/zinc/05/39/97/1007053997.db2.gz FMBFSRUYVNGEAK-XMMPIXPASA-N 2 1 418.585 3.871 20 0 HHADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000534994470 1007054008 /nfs/dbraw/zinc/05/40/08/1007054008.db2.gz FMBFSRUYVNGEAK-XMMPIXPASA-N 2 1 418.585 3.871 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(-c3ccccn3)ccc2Cl)CC1 ZINC000535095798 1007111947 /nfs/dbraw/zinc/11/19/47/1007111947.db2.gz QEIVSTYTXNPAHE-UHFFFAOYSA-N 2 1 407.905 3.801 20 0 HHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538855033 1007129279 /nfs/dbraw/zinc/12/92/79/1007129279.db2.gz JOEKHKOGLOQARW-OAQYLSRUSA-N 2 1 401.599 3.594 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc3c(ccc(Cl)c3Cl)[nH]2)CC1 ZINC000516624296 1007200305 /nfs/dbraw/zinc/20/03/05/1007200305.db2.gz YSAQVBBMHHYBJI-UHFFFAOYSA-N 2 1 404.301 3.874 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cc(Cl)sc1Cl ZINC000538917907 1007202560 /nfs/dbraw/zinc/20/25/60/1007202560.db2.gz MXKAHUQEYPRQOX-AWEZNQCLSA-N 2 1 407.411 3.612 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(F)c(C(F)(F)F)c3)c2)C1 ZINC000535201091 1007249302 /nfs/dbraw/zinc/24/93/02/1007249302.db2.gz OZASFNRVEOLCKR-GOSISDBHSA-N 2 1 423.454 3.832 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc1F ZINC000516717061 1007254903 /nfs/dbraw/zinc/25/49/03/1007254903.db2.gz ZBRGMDPYVPYSQQ-NRFANRHFSA-N 2 1 401.530 3.630 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000539004839 1007302737 /nfs/dbraw/zinc/30/27/37/1007302737.db2.gz XVKGJUDJCZKUMR-NHCUHLMSSA-N 2 1 421.589 3.602 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000532949554 1007320054 /nfs/dbraw/zinc/32/00/54/1007320054.db2.gz CDODHWHPUOZFOQ-HXUWFJFHSA-N 2 1 411.594 3.868 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000532949554 1007320069 /nfs/dbraw/zinc/32/00/69/1007320069.db2.gz CDODHWHPUOZFOQ-HXUWFJFHSA-N 2 1 411.594 3.868 20 0 HHADMP O=C(C[N@H+]1CC[C@H](Cc2ccccc2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000532973913 1007343616 /nfs/dbraw/zinc/34/36/16/1007343616.db2.gz HAHGBYSXZFNRAD-JOCHJYFZSA-N 2 1 409.599 3.739 20 0 HHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N[C@H]2CCOc3ccccc32)CC1)CC(C)C ZINC000539096610 1007385968 /nfs/dbraw/zinc/38/59/68/1007385968.db2.gz IDJVHVYQUBYVRM-QFIPXVFZSA-N 2 1 401.595 3.706 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC000535338823 1007390672 /nfs/dbraw/zinc/39/06/72/1007390672.db2.gz DKRNSFOGQFAEBU-ZEQRLZLVSA-N 2 1 406.574 3.917 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)[C@H]1c1ccccc1 ZINC000535340264 1007392622 /nfs/dbraw/zinc/39/26/22/1007392622.db2.gz MKPNNDPRTMLFEX-YUXAGFNASA-N 2 1 412.603 3.705 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@H]1c1ccccc1 ZINC000535340264 1007392636 /nfs/dbraw/zinc/39/26/36/1007392636.db2.gz MKPNNDPRTMLFEX-YUXAGFNASA-N 2 1 412.603 3.705 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[C@H]1c1ccccc1 ZINC000535340264 1007392656 /nfs/dbraw/zinc/39/26/56/1007392656.db2.gz MKPNNDPRTMLFEX-YUXAGFNASA-N 2 1 412.603 3.705 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)[C@H]1c1ccccc1 ZINC000535340260 1007393081 /nfs/dbraw/zinc/39/30/81/1007393081.db2.gz MKPNNDPRTMLFEX-BVYCBKJFSA-N 2 1 412.603 3.705 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)[C@H]1c1ccccc1 ZINC000535340260 1007393096 /nfs/dbraw/zinc/39/30/96/1007393096.db2.gz MKPNNDPRTMLFEX-BVYCBKJFSA-N 2 1 412.603 3.705 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)[C@H]1c1ccccc1 ZINC000535340260 1007393106 /nfs/dbraw/zinc/39/31/06/1007393106.db2.gz MKPNNDPRTMLFEX-BVYCBKJFSA-N 2 1 412.603 3.705 20 0 HHADMP CC[NH+](CC)CCOc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1 ZINC000535341896 1007395812 /nfs/dbraw/zinc/39/58/12/1007395812.db2.gz XMJFVLMSQSXGQZ-RPWUZVMVSA-N 2 1 424.589 3.652 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(-c4ccccn4)c3)c2)C1 ZINC000533039287 1007399807 /nfs/dbraw/zinc/39/98/07/1007399807.db2.gz FHWCCVJDJFSWTB-DEOSSOPVSA-N 2 1 414.553 3.736 20 0 HHADMP O=C(C[N@H+]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000533045895 1007407234 /nfs/dbraw/zinc/40/72/34/1007407234.db2.gz MUBPGOPMQCCWLL-HXUWFJFHSA-N 2 1 409.496 3.975 20 0 HHADMP O=C(C[N@@H+]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000533045895 1007407236 /nfs/dbraw/zinc/40/72/36/1007407236.db2.gz MUBPGOPMQCCWLL-HXUWFJFHSA-N 2 1 409.496 3.975 20 0 HHADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000517143186 1007457747 /nfs/dbraw/zinc/45/77/47/1007457747.db2.gz VAAHEQMERKJWHM-HXUWFJFHSA-N 2 1 407.002 3.678 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000517143186 1007457752 /nfs/dbraw/zinc/45/77/52/1007457752.db2.gz VAAHEQMERKJWHM-HXUWFJFHSA-N 2 1 407.002 3.678 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000517143186 1007457758 /nfs/dbraw/zinc/45/77/58/1007457758.db2.gz VAAHEQMERKJWHM-HXUWFJFHSA-N 2 1 407.002 3.678 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000517143186 1007457769 /nfs/dbraw/zinc/45/77/69/1007457769.db2.gz VAAHEQMERKJWHM-HXUWFJFHSA-N 2 1 407.002 3.678 20 0 HHADMP Cc1sc2nc([C@H](C)[NH+]3CCC(C[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)nc(N)c2c1C ZINC000539197489 1007494704 /nfs/dbraw/zinc/49/47/04/1007494704.db2.gz JQBKGCANYMWUOQ-DZKIICNBSA-N 2 1 417.623 3.773 20 0 HHADMP COC(=O)c1oc([C@@H](C)[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1C ZINC000539250041 1007541978 /nfs/dbraw/zinc/54/19/78/1007541978.db2.gz UWVPWCVDKZUYBT-GOSISDBHSA-N 2 1 405.583 3.564 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000517332438 1007573410 /nfs/dbraw/zinc/57/34/10/1007573410.db2.gz IRFGCYMSXRSMFL-ZRCGQRJVSA-N 2 1 412.622 3.981 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000517332438 1007573413 /nfs/dbraw/zinc/57/34/13/1007573413.db2.gz IRFGCYMSXRSMFL-ZRCGQRJVSA-N 2 1 412.622 3.981 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000517332438 1007573424 /nfs/dbraw/zinc/57/34/24/1007573424.db2.gz IRFGCYMSXRSMFL-ZRCGQRJVSA-N 2 1 412.622 3.981 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC(=O)Nc2ccccc2Cl)CC1 ZINC000539310239 1007607954 /nfs/dbraw/zinc/60/79/54/1007607954.db2.gz NVERMTRGEZJYHC-INIZCTEOSA-N 2 1 418.944 3.910 20 0 HHADMP COc1ccccc1CN(C)C(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535678367 1007704784 /nfs/dbraw/zinc/70/47/84/1007704784.db2.gz ACSANSSTCIIGCQ-UHFFFAOYSA-N 2 1 421.585 3.642 20 0 HHADMP CC1CC[NH+](CCNC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535683958 1007714409 /nfs/dbraw/zinc/71/44/09/1007714409.db2.gz OCGVLQRKQUUVMU-PXNSSMCTSA-N 2 1 410.965 3.503 20 0 HHADMP C[N@@H+](CCN1CC[NH+](CCOc2cccc3ccccc32)CC1)Cc1ccccc1 ZINC000517502946 1007724372 /nfs/dbraw/zinc/72/43/72/1007724372.db2.gz DIFVRJWEHVJOLO-UHFFFAOYSA-N 2 1 403.570 3.968 20 0 HHADMP CC(C)[NH+](CCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000535700517 1007737091 /nfs/dbraw/zinc/73/70/91/1007737091.db2.gz LUUHTQVREJEQKN-FXAWDEMLSA-N 2 1 412.981 3.890 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000535702601 1007739879 /nfs/dbraw/zinc/73/98/79/1007739879.db2.gz UUOFUUMVMPMTBP-NKMKZGIRSA-N 2 1 424.992 3.986 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000535702601 1007739892 /nfs/dbraw/zinc/73/98/92/1007739892.db2.gz UUOFUUMVMPMTBP-NKMKZGIRSA-N 2 1 424.992 3.986 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000535702601 1007739916 /nfs/dbraw/zinc/73/99/16/1007739916.db2.gz UUOFUUMVMPMTBP-NKMKZGIRSA-N 2 1 424.992 3.986 20 0 HHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(Br)s2)c2cccs2)CC1 ZINC000517525436 1007744332 /nfs/dbraw/zinc/74/43/32/1007744332.db2.gz VYIKRMCPYSZAQH-CQSZACIVSA-N 2 1 400.411 3.650 20 0 HHADMP C[C@@H](CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)[NH+]1CCC[C@@H](C)C1 ZINC000535705515 1007744959 /nfs/dbraw/zinc/74/49/59/1007744959.db2.gz SBQVWTBKWDFHOM-YADHBBJMSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H](CNC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000535705515 1007744976 /nfs/dbraw/zinc/74/49/76/1007744976.db2.gz SBQVWTBKWDFHOM-YADHBBJMSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H](CNC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000535705515 1007744984 /nfs/dbraw/zinc/74/49/84/1007744984.db2.gz SBQVWTBKWDFHOM-YADHBBJMSA-N 2 1 412.622 3.805 20 0 HHADMP CCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000533439510 1007755508 /nfs/dbraw/zinc/75/55/08/1007755508.db2.gz OBKNMUDKIBCGIG-YADHBBJMSA-N 2 1 405.627 3.569 20 0 HHADMP Cn1ccnc1COc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000533448350 1007764634 /nfs/dbraw/zinc/76/46/34/1007764634.db2.gz HDDBKVMWMHUMTO-HSZRJFAPSA-N 2 1 404.558 3.953 20 0 HHADMP Cn1ccnc1COc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000533448350 1007764642 /nfs/dbraw/zinc/76/46/42/1007764642.db2.gz HDDBKVMWMHUMTO-HSZRJFAPSA-N 2 1 404.558 3.953 20 0 HHADMP Cn1ccnc1COc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000533448350 1007764648 /nfs/dbraw/zinc/76/46/48/1007764648.db2.gz HDDBKVMWMHUMTO-HSZRJFAPSA-N 2 1 404.558 3.953 20 0 HHADMP Cn1c2ccc(Cl)cc2nc1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000533484767 1007793961 /nfs/dbraw/zinc/79/39/61/1007793961.db2.gz WPVMZEMCPYQFPO-UHFFFAOYSA-N 2 1 418.029 3.855 20 0 HHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](C)C(C)(C)c3ccccc3)CC2)cc1 ZINC000539492249 1007803282 /nfs/dbraw/zinc/80/32/82/1007803282.db2.gz MTXRVMJLQKUCDD-NRFANRHFSA-N 2 1 423.601 3.685 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](C)C(C)(C)c3ccccc3)CC2)cc1 ZINC000539492249 1007803292 /nfs/dbraw/zinc/80/32/92/1007803292.db2.gz MTXRVMJLQKUCDD-NRFANRHFSA-N 2 1 423.601 3.685 20 0 HHADMP CC(C)[NH2+]C1CC[NH+](CCCOc2cccc(I)c2)CC1 ZINC000533511887 1007829993 /nfs/dbraw/zinc/82/99/93/1007829993.db2.gz PCNITKNBACPFIM-UHFFFAOYSA-N 2 1 402.320 3.523 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCOc2ccccc2-c2ccccc2)CC1 ZINC000517650852 1007862710 /nfs/dbraw/zinc/86/27/10/1007862710.db2.gz RFTHTSPVFOJUMC-UHFFFAOYSA-N 2 1 416.525 3.908 20 0 HHADMP COc1cccc([C@@H](CNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)[NH+]2CCCC2)c1 ZINC000517724108 1007931170 /nfs/dbraw/zinc/93/11/70/1007931170.db2.gz IXUFMXIQHKAOTK-HSZRJFAPSA-N 2 1 416.610 3.594 20 0 HHADMP C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)C2)CC1 ZINC000535935035 1007963226 /nfs/dbraw/zinc/96/32/26/1007963226.db2.gz GPPXWEFGOPPFLW-SBHAEUEKSA-N 2 1 404.624 3.504 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000536017418 1008056524 /nfs/dbraw/zinc/05/65/24/1008056524.db2.gz JOJCRVQVASRRDR-NQHRYMMQSA-N 2 1 422.617 3.854 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NCC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539763767 1008078344 /nfs/dbraw/zinc/07/83/44/1008078344.db2.gz YKTAZZGIAXSCRC-UXHICEINSA-N 2 1 410.965 3.644 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NCC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539763767 1008078351 /nfs/dbraw/zinc/07/83/51/1008078351.db2.gz YKTAZZGIAXSCRC-UXHICEINSA-N 2 1 410.965 3.644 20 0 HHADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000518012233 1008102281 /nfs/dbraw/zinc/10/22/81/1008102281.db2.gz RUUWLWATQVEHDW-FQEVSTJZSA-N 2 1 404.986 3.621 20 0 HHADMP Cc1cnn([C@H]2CC[NH+](Cc3cccc(C[N@@H+]4CC[C@H](n5cc(C)cn5)C4)c3)C2)c1 ZINC000518014529 1008103344 /nfs/dbraw/zinc/10/33/44/1008103344.db2.gz MNOPFRFOHOOKGS-ZEQRLZLVSA-N 2 1 404.562 3.590 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3c[nH]nc3-c3ccc(F)cc3)CC2)CC1 ZINC000539822499 1008116427 /nfs/dbraw/zinc/11/64/27/1008116427.db2.gz LZWVZVCXTQSQIY-UHFFFAOYSA-N 2 1 413.585 3.844 20 0 HHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000539822499 1008116431 /nfs/dbraw/zinc/11/64/31/1008116431.db2.gz LZWVZVCXTQSQIY-UHFFFAOYSA-N 3 1 413.585 3.844 20 0 HHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000539822499 1008116447 /nfs/dbraw/zinc/11/64/47/1008116447.db2.gz LZWVZVCXTQSQIY-UHFFFAOYSA-N 3 1 413.585 3.844 20 0 HHADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000539824911 1008119413 /nfs/dbraw/zinc/11/94/13/1008119413.db2.gz KISDCKKWYIAFOM-UHFFFAOYSA-N 2 1 423.649 3.847 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000533850262 1008155769 /nfs/dbraw/zinc/15/57/69/1008155769.db2.gz SXHZDDNMKHYELS-LZFFWASXSA-N 2 1 406.574 3.629 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000533850262 1008155773 /nfs/dbraw/zinc/15/57/73/1008155773.db2.gz SXHZDDNMKHYELS-LZFFWASXSA-N 2 1 406.574 3.629 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000533850262 1008155774 /nfs/dbraw/zinc/15/57/74/1008155774.db2.gz SXHZDDNMKHYELS-LZFFWASXSA-N 2 1 406.574 3.629 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000533850262 1008155778 /nfs/dbraw/zinc/15/57/78/1008155778.db2.gz SXHZDDNMKHYELS-LZFFWASXSA-N 2 1 406.574 3.629 20 0 HHADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000539977849 1008217853 /nfs/dbraw/zinc/21/78/53/1008217853.db2.gz VMLKCMSZTNDNPN-QHCPKHFHSA-N 2 1 415.626 3.840 20 0 HHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2c(F)cccc2N2CCCC2)c2cccs2)CC1 ZINC000518249554 1008225369 /nfs/dbraw/zinc/22/53/69/1008225369.db2.gz OPRRGRPTQVLXJR-NRFANRHFSA-N 2 1 402.583 3.566 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NC[C@H](C(C)C)[NH+]3CCC(C)CC3)CC2)cs1 ZINC000518311556 1008254580 /nfs/dbraw/zinc/25/45/80/1008254580.db2.gz VKWRVBNFJJITCB-OAQYLSRUSA-N 2 1 406.640 3.536 20 0 HHADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)CC1)CC1CC1 ZINC000540047561 1008257156 /nfs/dbraw/zinc/25/71/56/1008257156.db2.gz PZDRBSAGZDWMMQ-GOSISDBHSA-N 2 1 414.594 3.806 20 0 HHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CC(=O)N(C)[C@H]3c3ccc(F)c(F)c3)CC2)C1 ZINC000540141856 1008309669 /nfs/dbraw/zinc/30/96/69/1008309669.db2.gz VARMALGSQVPGGL-ONTWCKNQSA-N 2 1 405.533 3.869 20 0 HHADMP CC1CC[NH+]([C@H](CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c2cccs2)CC1 ZINC000518520020 1008335684 /nfs/dbraw/zinc/33/56/84/1008335684.db2.gz QDBTWKCVMRRFFE-AZUAARDMSA-N 2 1 404.624 3.837 20 0 HHADMP C[NH+](C)CCCOc1cnccc1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000518548680 1008344540 /nfs/dbraw/zinc/34/45/40/1008344540.db2.gz HNRSQHPZQSUSPO-BKFWDETESA-N 2 1 408.590 3.697 20 0 HHADMP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000518652811 1008380504 /nfs/dbraw/zinc/38/05/04/1008380504.db2.gz FDCLTZHAFSXBPN-UHFFFAOYSA-N 2 1 403.570 3.945 20 0 HHADMP Cc1sc2nc([C@@H](C)[NH+]3CCC(OCC[NH+]4CCCC4)CC3)nc(N)c2c1C ZINC000540348984 1008391995 /nfs/dbraw/zinc/39/19/95/1008391995.db2.gz HRRLSGGWJXGLFJ-OAHLLOKOSA-N 2 1 403.596 3.528 20 0 HHADMP CCOc1ccc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1OCC ZINC000518747592 1008413029 /nfs/dbraw/zinc/41/30/29/1008413029.db2.gz LHTCYYMZIBNNHK-LJQANCHMSA-N 2 1 403.592 3.624 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccsc1 ZINC000518966774 1008489600 /nfs/dbraw/zinc/48/96/00/1008489600.db2.gz PLJZSHULEPAQPJ-LQCXBHPOSA-N 2 1 412.603 3.846 20 0 HHADMP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000519018495 1008502827 /nfs/dbraw/zinc/50/28/27/1008502827.db2.gz OYJZFTJFWILCNX-RXVVDRJESA-N 2 1 414.619 3.877 20 0 HHADMP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000519018495 1008502831 /nfs/dbraw/zinc/50/28/31/1008502831.db2.gz OYJZFTJFWILCNX-RXVVDRJESA-N 2 1 414.619 3.877 20 0 HHADMP C[C@H](CNC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCc2sccc2C1 ZINC000519269686 1008678164 /nfs/dbraw/zinc/67/81/64/1008678164.db2.gz LHCNLHNWLDVRKP-OPYAIIAOSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@H](CNC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCc2sccc2C1 ZINC000519269686 1008678172 /nfs/dbraw/zinc/67/81/72/1008678172.db2.gz LHCNLHNWLDVRKP-OPYAIIAOSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@H](CNC(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1)[N@@H+]1CCc2sccc2C1 ZINC000519269686 1008678175 /nfs/dbraw/zinc/67/81/75/1008678175.db2.gz LHCNLHNWLDVRKP-OPYAIIAOSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@H](CNC(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1)[N@H+]1CCc2sccc2C1 ZINC000519269686 1008678178 /nfs/dbraw/zinc/67/81/78/1008678178.db2.gz LHCNLHNWLDVRKP-OPYAIIAOSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC[N@@H+]1C ZINC000543178792 1008753125 /nfs/dbraw/zinc/75/31/25/1008753125.db2.gz JAKGJXFHJODDOS-LIRRHRJNSA-N 2 1 413.393 3.740 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC[N@H+]1C ZINC000543178792 1008753139 /nfs/dbraw/zinc/75/31/39/1008753139.db2.gz JAKGJXFHJODDOS-LIRRHRJNSA-N 2 1 413.393 3.740 20 0 HHADMP Cc1nccn1CCNC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549243333 1008813832 /nfs/dbraw/zinc/81/38/32/1008813832.db2.gz YVZIZRVSWFSMBE-VCYXJBJXSA-N 2 1 415.969 3.758 20 0 HHADMP Cc1[nH+]ccn1CCNC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000549243333 1008813849 /nfs/dbraw/zinc/81/38/49/1008813849.db2.gz YVZIZRVSWFSMBE-VCYXJBJXSA-N 2 1 415.969 3.758 20 0 HHADMP Cc1[nH+]ccn1CCNC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549243333 1008813863 /nfs/dbraw/zinc/81/38/63/1008813863.db2.gz YVZIZRVSWFSMBE-VCYXJBJXSA-N 2 1 415.969 3.758 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(F)c(SC)c(F)c1 ZINC000543325584 1008908394 /nfs/dbraw/zinc/90/83/94/1008908394.db2.gz YPDSNIKZBLMTGL-OAHLLOKOSA-N 2 1 400.539 3.567 20 0 HHADMP COCCOc1cccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000519706093 1008969281 /nfs/dbraw/zinc/96/92/81/1008969281.db2.gz KXDIQQFHILEBAQ-XMMPIXPASA-N 2 1 424.585 3.730 20 0 HHADMP C[C@@H](CCNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000543381578 1008970357 /nfs/dbraw/zinc/97/03/57/1008970357.db2.gz ZKQRFUZWZLFCFU-NRFANRHFSA-N 2 1 400.611 3.805 20 0 HHADMP Fc1ccc([C@@H](NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)nc1 ZINC000543402284 1008993927 /nfs/dbraw/zinc/99/39/27/1008993927.db2.gz FVTOFIUSCGOBJY-DEOSSOPVSA-N 2 1 405.521 3.507 20 0 HHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000546009759 1009044618 /nfs/dbraw/zinc/04/46/18/1009044618.db2.gz SKWGTEZFYNXFHG-FCHUYYIVSA-N 2 1 411.594 3.776 20 0 HHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000546009759 1009044637 /nfs/dbraw/zinc/04/46/37/1009044637.db2.gz SKWGTEZFYNXFHG-FCHUYYIVSA-N 2 1 411.594 3.776 20 0 HHADMP COc1cc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(OC)cc1Cl ZINC000543461808 1009048674 /nfs/dbraw/zinc/04/86/74/1009048674.db2.gz SLPNCOKYDQJZIV-CABCVRRESA-N 2 1 409.958 3.538 20 0 HHADMP COc1cc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(OC)cc1Cl ZINC000543461808 1009048681 /nfs/dbraw/zinc/04/86/81/1009048681.db2.gz SLPNCOKYDQJZIV-CABCVRRESA-N 2 1 409.958 3.538 20 0 HHADMP CCOc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1OCC ZINC000543461552 1009048829 /nfs/dbraw/zinc/04/88/29/1009048829.db2.gz KMVBRFXOCGCNEM-QZTJIDSGSA-N 2 1 403.567 3.665 20 0 HHADMP CCOc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OCC ZINC000543461552 1009048846 /nfs/dbraw/zinc/04/88/46/1009048846.db2.gz KMVBRFXOCGCNEM-QZTJIDSGSA-N 2 1 403.567 3.665 20 0 HHADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000549589720 1009216898 /nfs/dbraw/zinc/21/68/98/1009216898.db2.gz VNFCBHFJUBITAY-FGZHOGPDSA-N 2 1 400.611 3.803 20 0 HHADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549589720 1009216907 /nfs/dbraw/zinc/21/69/07/1009216907.db2.gz VNFCBHFJUBITAY-FGZHOGPDSA-N 2 1 400.611 3.803 20 0 HHADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549589720 1009216919 /nfs/dbraw/zinc/21/69/19/1009216919.db2.gz VNFCBHFJUBITAY-FGZHOGPDSA-N 2 1 400.611 3.803 20 0 HHADMP CN(CCC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)c1cc[nH+]cc1 ZINC000543714584 1009316854 /nfs/dbraw/zinc/31/68/54/1009316854.db2.gz XNRKBYDKMKMYSH-JOCHJYFZSA-N 2 1 420.582 3.885 20 0 HHADMP CN(CCC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)c1cc[nH+]cc1 ZINC000543714584 1009316873 /nfs/dbraw/zinc/31/68/73/1009316873.db2.gz XNRKBYDKMKMYSH-JOCHJYFZSA-N 2 1 420.582 3.885 20 0 HHADMP Cc1ccc([C@@H](CCn2cncn2)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000546307942 1009325371 /nfs/dbraw/zinc/32/53/71/1009325371.db2.gz IRIUDANIVFWNIE-SQJMNOBHSA-N 2 1 419.573 3.728 20 0 HHADMP Cc1ccc([C@@H](CCn2cncn2)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000546307942 1009325386 /nfs/dbraw/zinc/32/53/86/1009325386.db2.gz IRIUDANIVFWNIE-SQJMNOBHSA-N 2 1 419.573 3.728 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccnn2Cc2cccs2)cc1 ZINC000543813381 1009376296 /nfs/dbraw/zinc/37/62/96/1009376296.db2.gz CFXZYNXWFSDUMG-MRXNPFEDSA-N 2 1 420.542 3.776 20 0 HHADMP c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549868534 1009489326 /nfs/dbraw/zinc/48/93/26/1009489326.db2.gz YKBDNFREANNKNO-XMMPIXPASA-N 2 1 416.569 3.891 20 0 HHADMP O=C(NCc1ccccc1C[NH+]1CCCCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000549930385 1009544250 /nfs/dbraw/zinc/54/42/50/1009544250.db2.gz BLRLYNLADBRLLJ-UHFFFAOYSA-N 2 1 406.574 3.700 20 0 HHADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C1 ZINC000550139297 1009723525 /nfs/dbraw/zinc/72/35/25/1009723525.db2.gz BTYWTIWJRZBDKB-FPOVZHCZSA-N 2 1 405.583 3.995 20 0 HHADMP Cc1cccc([C@@H]2CC[N@H+]([C@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000544189723 1009792280 /nfs/dbraw/zinc/79/22/80/1009792280.db2.gz JKRJULNKWFJHAK-ZJSXRUAMSA-N 2 1 405.586 3.954 20 0 HHADMP CC[C@H](C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000550280386 1009828820 /nfs/dbraw/zinc/82/88/20/1009828820.db2.gz LLBPXIWFMJNNKX-AWRGLXIESA-N 2 1 415.622 3.635 20 0 HHADMP C[NH+](C)C1(CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)Cc2ccccc2C1 ZINC000544236729 1009848536 /nfs/dbraw/zinc/84/85/36/1009848536.db2.gz OQXXKTRQWUXLQT-FQEVSTJZSA-N 2 1 420.601 3.709 20 0 HHADMP c1ccc(C[NH+]2CCN(Cc3nc(-c4ccc(C[NH+]5CCCC5)cc4)no3)CC2)cc1 ZINC000546941063 1009899423 /nfs/dbraw/zinc/89/94/23/1009899423.db2.gz RZYKAUYJEYIVOT-UHFFFAOYSA-N 2 1 417.557 3.650 20 0 HHADMP CN(CC[NH+]1CCCC1)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000544289212 1009907264 /nfs/dbraw/zinc/90/72/64/1009907264.db2.gz KSYSAXLFTVNBGD-UHFFFAOYSA-N 2 1 413.393 3.695 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)c1ccco1 ZINC000520855994 1009909208 /nfs/dbraw/zinc/90/92/08/1009909208.db2.gz DIEJZCOXHARPJD-CNNODRBYSA-N 2 1 413.562 3.702 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000544332651 1009956223 /nfs/dbraw/zinc/95/62/23/1009956223.db2.gz UUWNGOANWNGUPG-GGAORHGYSA-N 2 1 400.611 3.805 20 0 HHADMP COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000520974070 1010016995 /nfs/dbraw/zinc/01/69/95/1010016995.db2.gz QQCVJICOOFOLGE-IBGZPJMESA-N 2 1 420.557 3.988 20 0 HHADMP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC000544421490 1010039750 /nfs/dbraw/zinc/03/97/50/1010039750.db2.gz LIRAKHWSUDYUDN-QYZOEREBSA-N 2 1 400.567 3.583 20 0 HHADMP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000544421490 1010039760 /nfs/dbraw/zinc/03/97/60/1010039760.db2.gz LIRAKHWSUDYUDN-QYZOEREBSA-N 2 1 400.567 3.583 20 0 HHADMP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC000544421488 1010040515 /nfs/dbraw/zinc/04/05/15/1010040515.db2.gz LIRAKHWSUDYUDN-FHWLQOOXSA-N 2 1 400.567 3.583 20 0 HHADMP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000544421488 1010040532 /nfs/dbraw/zinc/04/05/32/1010040532.db2.gz LIRAKHWSUDYUDN-FHWLQOOXSA-N 2 1 400.567 3.583 20 0 HHADMP C[C@H]([NH2+]CC(=O)NCC1(c2ccc(F)cc2)CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544421832 1010041152 /nfs/dbraw/zinc/04/11/52/1010041152.db2.gz YCUMSILOSVYRON-PMACEKPBSA-N 2 1 415.597 3.996 20 0 HHADMP C[C@H]([NH2+]CC(=O)NCC1(c2ccc(F)cc2)CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544421832 1010041177 /nfs/dbraw/zinc/04/11/77/1010041177.db2.gz YCUMSILOSVYRON-PMACEKPBSA-N 2 1 415.597 3.996 20 0 HHADMP C[C@H](c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000521144535 1010170722 /nfs/dbraw/zinc/17/07/22/1010170722.db2.gz PSAVZSQBHZEXIP-OFNKIYASSA-N 2 1 407.558 3.931 20 0 HHADMP C[C@H](c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000521144535 1010170731 /nfs/dbraw/zinc/17/07/31/1010170731.db2.gz PSAVZSQBHZEXIP-OFNKIYASSA-N 2 1 407.558 3.931 20 0 HHADMP Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000547276265 1010221644 /nfs/dbraw/zinc/22/16/44/1010221644.db2.gz DNWIPXUFIONXMZ-KPZWWZAWSA-N 2 1 410.381 3.598 20 0 HHADMP Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000547276265 1010221652 /nfs/dbraw/zinc/22/16/52/1010221652.db2.gz DNWIPXUFIONXMZ-KPZWWZAWSA-N 2 1 410.381 3.598 20 0 HHADMP Cc1noc(C2CCC([NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CC34CCOCC4)CC2)n1 ZINC000550882545 1010239366 /nfs/dbraw/zinc/23/93/66/1010239366.db2.gz NPTMZOXGRSUYOQ-KOENEWCDSA-N 2 1 424.589 3.923 20 0 HHADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)CC3 ZINC000547310616 1010249234 /nfs/dbraw/zinc/24/92/34/1010249234.db2.gz XZMBMDDNBPBAMB-SBUREZEXSA-N 2 1 424.614 3.674 20 0 HHADMP COC(=O)CCCN1CCC([NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000547326749 1010254027 /nfs/dbraw/zinc/25/40/27/1010254027.db2.gz NMBOOZAVVSCBKN-OYRHEFFESA-N 2 1 415.622 3.672 20 0 HHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)CC1 ZINC000550932779 1010264841 /nfs/dbraw/zinc/26/48/41/1010264841.db2.gz NIEAWPXDIJLFFU-NSQNTRMNSA-N 2 1 421.585 3.699 20 0 HHADMP C[C@H]([NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547826500 1010440232 /nfs/dbraw/zinc/44/02/32/1010440232.db2.gz PFDDECHHUFKVDB-FTBPSBKWSA-N 2 1 405.586 3.720 20 0 HHADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000547862849 1010455750 /nfs/dbraw/zinc/45/57/50/1010455750.db2.gz XSVZFIQKYSWKBB-YADHBBJMSA-N 2 1 409.578 3.530 20 0 HHADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000547862849 1010455754 /nfs/dbraw/zinc/45/57/54/1010455754.db2.gz XSVZFIQKYSWKBB-YADHBBJMSA-N 2 1 409.578 3.530 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000551266605 1010483041 /nfs/dbraw/zinc/48/30/41/1010483041.db2.gz AEVBIHBDVAMXDC-INIZCTEOSA-N 2 1 406.368 3.629 20 0 HHADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000544942716 1010507644 /nfs/dbraw/zinc/50/76/44/1010507644.db2.gz GLPPVGXMHNTCMN-WOJBJXKFSA-N 2 1 420.395 3.579 20 0 HHADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000544942716 1010507653 /nfs/dbraw/zinc/50/76/53/1010507653.db2.gz GLPPVGXMHNTCMN-WOJBJXKFSA-N 2 1 420.395 3.579 20 0 HHADMP COc1cc(CN2CC[C@H]([NH2+][C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)cc(OC)c1 ZINC000548154458 1010546808 /nfs/dbraw/zinc/54/68/08/1010546808.db2.gz FNBPUSWBAMQLKY-ZTCOLXNVSA-N 2 1 423.601 3.778 20 0 HHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)C1 ZINC000521687097 1010550739 /nfs/dbraw/zinc/55/07/39/1010550739.db2.gz KPYWWZSNENJQCH-KRWDZBQOSA-N 2 1 410.553 3.549 20 0 HHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(Cc1ccncc1)C[C@H]1CCC[NH+]1CC ZINC000521785519 1010616640 /nfs/dbraw/zinc/61/66/40/1010616640.db2.gz NHOHERAYIKLXDA-XZOQPEGZSA-N 2 1 415.626 3.732 20 0 HHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@@H+]1CC ZINC000521785519 1010616648 /nfs/dbraw/zinc/61/66/48/1010616648.db2.gz NHOHERAYIKLXDA-XZOQPEGZSA-N 2 1 415.626 3.732 20 0 HHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC ZINC000521785519 1010616657 /nfs/dbraw/zinc/61/66/57/1010616657.db2.gz NHOHERAYIKLXDA-XZOQPEGZSA-N 2 1 415.626 3.732 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000521857865 1010666848 /nfs/dbraw/zinc/66/68/48/1010666848.db2.gz BATKICGRGCVPDU-DEOSSOPVSA-N 2 1 406.574 3.804 20 0 HHADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)CC3 ZINC000545192019 1010678960 /nfs/dbraw/zinc/67/89/60/1010678960.db2.gz VAXFUJWEOSISOW-NHCUHLMSSA-N 2 1 419.569 3.780 20 0 HHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC000545302354 1010721670 /nfs/dbraw/zinc/72/16/70/1010721670.db2.gz RFYJOPVORPWGDD-HSZRJFAPSA-N 2 1 402.627 3.905 20 0 HHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000545302354 1010721674 /nfs/dbraw/zinc/72/16/74/1010721674.db2.gz RFYJOPVORPWGDD-HSZRJFAPSA-N 2 1 402.627 3.905 20 0 HHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000545302354 1010721684 /nfs/dbraw/zinc/72/16/84/1010721684.db2.gz RFYJOPVORPWGDD-HSZRJFAPSA-N 2 1 402.627 3.905 20 0 HHADMP Brc1ccc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000522239827 1010882801 /nfs/dbraw/zinc/88/28/01/1010882801.db2.gz JURGIDXVSZNFHZ-UHFFFAOYSA-N 2 1 417.395 3.532 20 0 HHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000522287883 1010908406 /nfs/dbraw/zinc/90/84/06/1010908406.db2.gz LGCASIBYTWCTMY-VWLOTQADSA-N 2 1 422.617 3.633 20 0 HHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000522318095 1010926606 /nfs/dbraw/zinc/92/66/06/1010926606.db2.gz QKSNQQOVWPRRJW-XUZZJYLKSA-N 2 1 408.590 3.904 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)CC1 ZINC000522467075 1011030609 /nfs/dbraw/zinc/03/06/09/1011030609.db2.gz WMWBSMRZARXCAV-NRFANRHFSA-N 2 1 404.599 3.878 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000522603826 1011106045 /nfs/dbraw/zinc/10/60/45/1011106045.db2.gz CTUJQLQVLOZTSY-HYBUGGRVSA-N 2 1 406.574 3.910 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000522603826 1011106046 /nfs/dbraw/zinc/10/60/46/1011106046.db2.gz CTUJQLQVLOZTSY-HYBUGGRVSA-N 2 1 406.574 3.910 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522763796 1011202659 /nfs/dbraw/zinc/20/26/59/1011202659.db2.gz SYZMLBPWIBBKJS-YVWKXTFCSA-N 2 1 424.511 3.624 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522763796 1011202663 /nfs/dbraw/zinc/20/26/63/1011202663.db2.gz SYZMLBPWIBBKJS-YVWKXTFCSA-N 2 1 424.511 3.624 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522763796 1011202665 /nfs/dbraw/zinc/20/26/65/1011202665.db2.gz SYZMLBPWIBBKJS-YVWKXTFCSA-N 2 1 424.511 3.624 20 0 HHADMP COc1ccc([C@@H]([NH2+]CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)C2CC2)cc1 ZINC000540590389 1011246506 /nfs/dbraw/zinc/24/65/06/1011246506.db2.gz KQZBHAQUWSZADM-SANMLTNESA-N 2 1 421.585 3.779 20 0 HHADMP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)CC[C@H]21 ZINC000540667346 1011321232 /nfs/dbraw/zinc/32/12/32/1011321232.db2.gz DBYLCSYPMLTFSU-RLLQIKCJSA-N 2 1 409.496 3.613 20 0 HHADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)CC[C@H]21 ZINC000540667346 1011321247 /nfs/dbraw/zinc/32/12/47/1011321247.db2.gz DBYLCSYPMLTFSU-RLLQIKCJSA-N 2 1 409.496 3.613 20 0 HHADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)CC[C@H]21 ZINC000540667346 1011321265 /nfs/dbraw/zinc/32/12/65/1011321265.db2.gz DBYLCSYPMLTFSU-RLLQIKCJSA-N 2 1 409.496 3.613 20 0 HHADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)CC[C@H]21 ZINC000540667346 1011321280 /nfs/dbraw/zinc/32/12/80/1011321280.db2.gz DBYLCSYPMLTFSU-RLLQIKCJSA-N 2 1 409.496 3.613 20 0 HHADMP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000522917353 1011364084 /nfs/dbraw/zinc/36/40/84/1011364084.db2.gz LLJFBISKZDNTQU-JOCHJYFZSA-N 2 1 415.965 3.602 20 0 HHADMP CC(C)[N@H+](Cc1ccc(NC(=O)NC[C@H]2CCC[NH+](C)C2)cc1)C[C@@H]1CCCCO1 ZINC000541033231 1011667259 /nfs/dbraw/zinc/66/72/59/1011667259.db2.gz VIIDVUCEDHDRDM-GGAORHGYSA-N 2 1 416.610 3.929 20 0 HHADMP CC(C)[NH+](Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](C)C2)cc1)C[C@@H]1CCCCO1 ZINC000541033231 1011667265 /nfs/dbraw/zinc/66/72/65/1011667265.db2.gz VIIDVUCEDHDRDM-GGAORHGYSA-N 2 1 416.610 3.929 20 0 HHADMP CC(C)[NH+](Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1)C[C@@H]1CCCCO1 ZINC000541033231 1011667273 /nfs/dbraw/zinc/66/72/73/1011667273.db2.gz VIIDVUCEDHDRDM-GGAORHGYSA-N 2 1 416.610 3.929 20 0 HHADMP CC[N@@H+](CCNC(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1)C1CC1 ZINC000523194912 1011681003 /nfs/dbraw/zinc/68/10/03/1011681003.db2.gz RVBJXVSYBGYBHW-OAQYLSRUSA-N 2 1 412.603 3.631 20 0 HHADMP CC[N@H+](CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)C1CC1 ZINC000523194912 1011681010 /nfs/dbraw/zinc/68/10/10/1011681010.db2.gz RVBJXVSYBGYBHW-OAQYLSRUSA-N 2 1 412.603 3.631 20 0 HHADMP CC[N@@H+](CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)C1CC1 ZINC000523194912 1011681015 /nfs/dbraw/zinc/68/10/15/1011681015.db2.gz RVBJXVSYBGYBHW-OAQYLSRUSA-N 2 1 412.603 3.631 20 0 HHADMP CC[NH+](CCNC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)C1CC1 ZINC000523194912 1011681026 /nfs/dbraw/zinc/68/10/26/1011681026.db2.gz RVBJXVSYBGYBHW-OAQYLSRUSA-N 2 1 412.603 3.631 20 0 HHADMP CC[NH+](CCNC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)C1CC1 ZINC000523194912 1011681035 /nfs/dbraw/zinc/68/10/35/1011681035.db2.gz RVBJXVSYBGYBHW-OAQYLSRUSA-N 2 1 412.603 3.631 20 0 HHADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536494035 1011702795 /nfs/dbraw/zinc/70/27/95/1011702795.db2.gz VNBNORYOLQTBJO-HLIPFELVSA-N 2 1 410.965 3.598 20 0 HHADMP C[C@@H]1CCC[C@](CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)([NH+](C)C)C1 ZINC000523301038 1011780208 /nfs/dbraw/zinc/78/02/08/1011780208.db2.gz KNAPGNCUITTWKZ-DXIQSLLYSA-N 2 1 406.640 3.770 20 0 HHADMP C[C@@H]1CCC[C@@](CNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)([NH+](C)C)C1 ZINC000523301040 1011780431 /nfs/dbraw/zinc/78/04/31/1011780431.db2.gz KNAPGNCUITTWKZ-WOIUINJBSA-N 2 1 406.640 3.770 20 0 HHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cn(-c4ccccc4)nc3C(C)(C)C)C2)CC1 ZINC000536663433 1011813687 /nfs/dbraw/zinc/81/36/87/1011813687.db2.gz KLYSGGLPSNEYPF-QHCPKHFHSA-N 2 1 409.622 3.770 20 0 HHADMP CCC[N@H+](Cc1cc2c(c(OC)c1)OCO2)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000536668952 1011822920 /nfs/dbraw/zinc/82/29/20/1011822920.db2.gz UBAOTHZSEDGDRE-UHFFFAOYSA-N 2 1 412.534 3.712 20 0 HHADMP CCC[N@@H+](Cc1cc2c(c(OC)c1)OCO2)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000536668952 1011822940 /nfs/dbraw/zinc/82/29/40/1011822940.db2.gz UBAOTHZSEDGDRE-UHFFFAOYSA-N 2 1 412.534 3.712 20 0 HHADMP Cc1[nH+]ccn1CCNC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000523351626 1011829866 /nfs/dbraw/zinc/82/98/66/1011829866.db2.gz JIMHGMTUTNQRKH-UHFFFAOYSA-N 2 1 424.376 3.806 20 0 HHADMP C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536724296 1011896060 /nfs/dbraw/zinc/89/60/60/1011896060.db2.gz FCZDEESPUJBLBB-MRXNPFEDSA-N 2 1 402.489 3.925 20 0 HHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cscc2Br)c2cccs2)CC1 ZINC000551977732 1012034877 /nfs/dbraw/zinc/03/48/77/1012034877.db2.gz BMOPPMMEYYWDBA-HNNXBMFYSA-N 2 1 400.411 3.650 20 0 HHADMP CN(C)C(=O)COc1cccc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000552048881 1012068718 /nfs/dbraw/zinc/06/87/18/1012068718.db2.gz BLKKKZWJOFLWQJ-UHFFFAOYSA-N 2 1 409.574 3.686 20 0 HHADMP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)cc2)cc1 ZINC000536851943 1012083265 /nfs/dbraw/zinc/08/32/65/1012083265.db2.gz MKBJQEIIFWTGIX-MZLICYQSSA-N 2 1 409.574 3.873 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(N[C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)c1 ZINC000552071113 1012087961 /nfs/dbraw/zinc/08/79/61/1012087961.db2.gz PWDMMXZFFUSAJR-ZLLBNUPZSA-N 2 1 402.558 3.923 20 0 HHADMP C[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc(F)c(N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000552071113 1012087973 /nfs/dbraw/zinc/08/79/73/1012087973.db2.gz PWDMMXZFFUSAJR-ZLLBNUPZSA-N 2 1 402.558 3.923 20 0 HHADMP C[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc(F)c(N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000552071113 1012087988 /nfs/dbraw/zinc/08/79/88/1012087988.db2.gz PWDMMXZFFUSAJR-ZLLBNUPZSA-N 2 1 402.558 3.923 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(N[C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)c1 ZINC000552071110 1012088239 /nfs/dbraw/zinc/08/82/39/1012088239.db2.gz PWDMMXZFFUSAJR-BUBGKSFDSA-N 2 1 402.558 3.923 20 0 HHADMP C[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc(F)c(N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000552071110 1012088252 /nfs/dbraw/zinc/08/82/52/1012088252.db2.gz PWDMMXZFFUSAJR-BUBGKSFDSA-N 2 1 402.558 3.923 20 0 HHADMP C[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc(F)c(N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000552071110 1012088266 /nfs/dbraw/zinc/08/82/66/1012088266.db2.gz PWDMMXZFFUSAJR-BUBGKSFDSA-N 2 1 402.558 3.923 20 0 HHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000536860030 1012094617 /nfs/dbraw/zinc/09/46/17/1012094617.db2.gz VWUVTJQRBIDAJV-LJQANCHMSA-N 2 1 415.603 3.918 20 0 HHADMP C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541427333 1012177450 /nfs/dbraw/zinc/17/74/50/1012177450.db2.gz WFHJPWIBJWGDRF-FQEVSTJZSA-N 2 1 424.589 3.750 20 0 HHADMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3c(Cl)ccc4cccnc43)CC2)C[C@H](C)O1 ZINC000536933487 1012223967 /nfs/dbraw/zinc/22/39/67/1012223967.db2.gz AGHABGFTZNZXKF-ROUUACIJSA-N 2 1 417.981 3.978 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)[NH+]2CCCC2)o1 ZINC000523645260 1012237076 /nfs/dbraw/zinc/23/70/76/1012237076.db2.gz MCZMPTRNYFCAAG-VQIMIIECSA-N 2 1 416.591 3.532 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)[NH+]2CCCC2)o1 ZINC000523645260 1012237095 /nfs/dbraw/zinc/23/70/95/1012237095.db2.gz MCZMPTRNYFCAAG-VQIMIIECSA-N 2 1 416.591 3.532 20 0 HHADMP C[C@H](CCNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000541520640 1012301311 /nfs/dbraw/zinc/30/13/11/1012301311.db2.gz JVNZIPGYKBWLRN-JOCHJYFZSA-N 2 1 400.611 3.601 20 0 HHADMP Brc1cnn(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000552332469 1012341150 /nfs/dbraw/zinc/34/11/50/1012341150.db2.gz SYUMKGLYQHJMPI-DFQSSKMNSA-N 2 1 403.368 3.536 20 0 HHADMP C[C@@H]([NH2+]CC(=O)NCCc1cccc(Cl)c1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599857 1012393052 /nfs/dbraw/zinc/39/30/52/1012393052.db2.gz OADIQBFLHGYNIZ-WBVHZDCISA-N 2 1 412.405 3.895 20 0 HHADMP C[C@@H]([NH2+]CC(=O)NCCc1cccc(Cl)c1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599857 1012393068 /nfs/dbraw/zinc/39/30/68/1012393068.db2.gz OADIQBFLHGYNIZ-WBVHZDCISA-N 2 1 412.405 3.895 20 0 HHADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000523791466 1012448475 /nfs/dbraw/zinc/44/84/75/1012448475.db2.gz ARVHBPDRVAZFKV-FQEVSTJZSA-N 2 1 400.611 3.934 20 0 HHADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000523791466 1012448486 /nfs/dbraw/zinc/44/84/86/1012448486.db2.gz ARVHBPDRVAZFKV-FQEVSTJZSA-N 2 1 400.611 3.934 20 0 HHADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000523791466 1012448495 /nfs/dbraw/zinc/44/84/95/1012448495.db2.gz ARVHBPDRVAZFKV-FQEVSTJZSA-N 2 1 400.611 3.934 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)cc1F ZINC000552495132 1012518618 /nfs/dbraw/zinc/51/86/18/1012518618.db2.gz QICASOVJICBPHE-RDPSFJRHSA-N 2 1 409.505 3.865 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)cc1F ZINC000552495133 1012519122 /nfs/dbraw/zinc/51/91/22/1012519122.db2.gz QICASOVJICBPHE-YKSBVNFPSA-N 2 1 409.505 3.865 20 0 HHADMP CCOC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000537168074 1012571231 /nfs/dbraw/zinc/57/12/31/1012571231.db2.gz UQQIVYLSWANPOZ-MRXNPFEDSA-N 2 1 406.486 3.647 20 0 HHADMP COc1c(Cl)cc(Cl)cc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000541760630 1012622088 /nfs/dbraw/zinc/62/20/88/1012622088.db2.gz IGHJXSAHHRNMNW-UHFFFAOYSA-N 2 1 400.394 3.852 20 0 HHADMP COc1ccc(F)cc1[C@H](C)[NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000537290861 1012749437 /nfs/dbraw/zinc/74/94/37/1012749437.db2.gz MHASPVYDDVBORX-IBGZPJMESA-N 2 1 413.537 3.528 20 0 HHADMP COc1ccc(F)cc1[C@H](C)[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000537290861 1012749451 /nfs/dbraw/zinc/74/94/51/1012749451.db2.gz MHASPVYDDVBORX-IBGZPJMESA-N 2 1 413.537 3.528 20 0 HHADMP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccc1OC(F)F ZINC000541919150 1012779194 /nfs/dbraw/zinc/77/91/94/1012779194.db2.gz UKXIEJQYSJCWLI-DNVCBOLYSA-N 2 1 406.473 3.714 20 0 HHADMP CCOc1cc2[nH+]ccc(NCc3ccccc3C[N@H+]3CC[C@H](O)C3)c2cc1OCC ZINC000541932995 1012793993 /nfs/dbraw/zinc/79/39/93/1012793993.db2.gz DHEGCGMUPZOZSR-FQEVSTJZSA-N 2 1 421.541 3.633 20 0 HHADMP Cc1cc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000541935679 1012797139 /nfs/dbraw/zinc/79/71/39/1012797139.db2.gz HHMWIAJGFOHHKX-SFHVURJKSA-N 2 1 413.468 3.745 20 0 HHADMP Cc1[nH+]ccn1CCNC(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000541961866 1012826046 /nfs/dbraw/zinc/82/60/46/1012826046.db2.gz FPQRMSSCLMDYPV-JOCHJYFZSA-N 2 1 413.566 3.793 20 0 HHADMP Cc1[nH+]ccn1CCNC(=O)Nc1ccc(C[N@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000541961866 1012826066 /nfs/dbraw/zinc/82/60/66/1012826066.db2.gz FPQRMSSCLMDYPV-JOCHJYFZSA-N 2 1 413.566 3.793 20 0 HHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)c2)cc1 ZINC000524067494 1012828132 /nfs/dbraw/zinc/82/81/32/1012828132.db2.gz VFEKXPZWQDCNQR-FQEVSTJZSA-N 2 1 423.557 3.538 20 0 HHADMP CCCc1cnc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000537388999 1012868356 /nfs/dbraw/zinc/86/83/56/1012868356.db2.gz JKSKPKUXXBIBPP-UHFFFAOYSA-N 2 1 407.628 3.756 20 0 HHADMP CCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(CCC[NH+](CC)CC)CC3)C2=O)cc1 ZINC000542008584 1012892189 /nfs/dbraw/zinc/89/21/89/1012892189.db2.gz IYLFCRMYWPPVKM-JOCHJYFZSA-N 2 1 415.578 3.551 20 0 HHADMP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cc(Cl)sc1Cl ZINC000537486768 1012998249 /nfs/dbraw/zinc/99/82/49/1012998249.db2.gz PIXBLVBHLALQCS-CJNGLKHVSA-N 2 1 414.402 3.995 20 0 HHADMP COc1ccc2c(c1)C[C@H]([NH+]1CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC1)C2 ZINC001168271721 1072044494 /nfs/dbraw/zinc/04/44/94/1072044494.db2.gz IFTJNDKNSWIXAP-RTWAWAEBSA-N 2 1 412.599 3.979 20 0 HHADMP CC(C)(C)[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccncc2)CC1 ZINC001142531865 1072427269 /nfs/dbraw/zinc/42/72/69/1072427269.db2.gz OHJFIUBHNSXXJT-BJKOFHAPSA-N 2 1 420.601 3.630 20 0 HHADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)CC1 ZINC001142531865 1072427276 /nfs/dbraw/zinc/42/72/76/1072427276.db2.gz OHJFIUBHNSXXJT-BJKOFHAPSA-N 2 1 420.601 3.630 20 0 HHADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)CC1 ZINC001142531865 1072427281 /nfs/dbraw/zinc/42/72/81/1072427281.db2.gz OHJFIUBHNSXXJT-BJKOFHAPSA-N 2 1 420.601 3.630 20 0 HHADMP COC(=O)c1cc2c(nc1-c1ccsc1)CC[N@H+](C1CCC([NH+](C)C)CC1)CC2 ZINC001168319014 1072498967 /nfs/dbraw/zinc/49/89/67/1072498967.db2.gz LFABNPMJUUXECS-UHFFFAOYSA-N 2 1 413.587 3.870 20 0 HHADMP C[NH+](C)C1CCC([N@H+]2CCC[C@]3(CC(C(=O)Nc4cccc(Cl)c4)=NO3)C2)CC1 ZINC001168321274 1072502745 /nfs/dbraw/zinc/50/27/45/1072502745.db2.gz FJWICSUPVPSROF-AJTFCVKESA-N 2 1 418.969 3.762 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000571341894 1072607044 /nfs/dbraw/zinc/60/70/44/1072607044.db2.gz KNUPEXPFHMRTPL-DNQXCXABSA-N 2 1 418.585 3.587 20 0 HHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3nc(-c4ccc(Cl)cc4)no3)CC2)C[C@H](C)O1 ZINC000588711204 1073156115 /nfs/dbraw/zinc/15/61/15/1073156115.db2.gz MVQCAJYZMNNSFD-HOTGVXAUSA-N 2 1 404.942 3.711 20 0 HHADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(C)c1 ZINC000588710807 1073156459 /nfs/dbraw/zinc/15/64/59/1073156459.db2.gz WJIOTUMHPYNSRI-NJYVYQBISA-N 2 1 401.595 3.760 20 0 HHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@H](O)COc3cc(C)cc(C)c3)C2)s1 ZINC000572108753 1073196847 /nfs/dbraw/zinc/19/68/47/1073196847.db2.gz BRIIBJCXDBOFJS-SFTDATJTSA-N 2 1 402.604 3.867 20 0 HHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H](O)COc3cc(C)cc(C)c3)C2)s1 ZINC000572108753 1073196852 /nfs/dbraw/zinc/19/68/52/1073196852.db2.gz BRIIBJCXDBOFJS-SFTDATJTSA-N 2 1 402.604 3.867 20 0 HHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H](O)COc3cc(C)cc(C)c3)C2)s1 ZINC000572108753 1073196867 /nfs/dbraw/zinc/19/68/67/1073196867.db2.gz BRIIBJCXDBOFJS-SFTDATJTSA-N 2 1 402.604 3.867 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NCc1ccccc1Cn1ccnc1)C1CC1 ZINC000555151450 1073204948 /nfs/dbraw/zinc/20/49/48/1073204948.db2.gz YVNNRXCVVWIEGV-XMMPIXPASA-N 2 1 417.557 3.641 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC000555153008 1073205851 /nfs/dbraw/zinc/20/58/51/1073205851.db2.gz JKYHEAVWNWBJQZ-DHIUTWEWSA-N 2 1 400.611 3.566 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000555153008 1073205853 /nfs/dbraw/zinc/20/58/53/1073205853.db2.gz JKYHEAVWNWBJQZ-DHIUTWEWSA-N 2 1 400.611 3.566 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000555153008 1073205854 /nfs/dbraw/zinc/20/58/54/1073205854.db2.gz JKYHEAVWNWBJQZ-DHIUTWEWSA-N 2 1 400.611 3.566 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)CC2)cs1 ZINC000588752898 1073214026 /nfs/dbraw/zinc/21/40/26/1073214026.db2.gz ZIEGUTJIBXCQBR-IBGZPJMESA-N 2 1 418.632 3.678 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C(=O)OCC)c3ccccc32)[C@H](C)C1 ZINC000555228034 1073273839 /nfs/dbraw/zinc/27/38/39/1073273839.db2.gz TVQONZCHQHWFSI-TWHAJKEOSA-N 2 1 402.579 3.895 20 0 HHADMP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H](c3ccccc3)N3CC[NH+](C)CC3)cc2)C1 ZINC000589997018 1073438860 /nfs/dbraw/zinc/43/88/60/1073438860.db2.gz ZLRRVUQNIFTOPT-OFVILXPXSA-N 2 1 420.601 3.846 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H](c3ccccc3)N3CC[NH+](C)CC3)cc2)C1 ZINC000589997018 1073438868 /nfs/dbraw/zinc/43/88/68/1073438868.db2.gz ZLRRVUQNIFTOPT-OFVILXPXSA-N 2 1 420.601 3.846 20 0 HHADMP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H](c3ccccc3)N3CC[NH+](C)CC3)cc2)C1 ZINC000589997022 1073439004 /nfs/dbraw/zinc/43/90/04/1073439004.db2.gz ZLRRVUQNIFTOPT-PXDATVDWSA-N 2 1 420.601 3.846 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H](c3ccccc3)N3CC[NH+](C)CC3)cc2)C1 ZINC000589997022 1073439006 /nfs/dbraw/zinc/43/90/06/1073439006.db2.gz ZLRRVUQNIFTOPT-PXDATVDWSA-N 2 1 420.601 3.846 20 0 HHADMP CC[N@H+](CC(=O)Nc1cc(OC)c(Cl)cc1OC)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999461 1073440307 /nfs/dbraw/zinc/44/03/07/1073440307.db2.gz JRGWIPDFQBPEHC-UHFFFAOYSA-N 2 1 419.953 3.879 20 0 HHADMP CC[N@@H+](CC(=O)Nc1cc(OC)c(Cl)cc1OC)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999461 1073440313 /nfs/dbraw/zinc/44/03/13/1073440313.db2.gz JRGWIPDFQBPEHC-UHFFFAOYSA-N 2 1 419.953 3.879 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000555417711 1073451937 /nfs/dbraw/zinc/45/19/37/1073451937.db2.gz ISYVVWINPRWYRT-AUSIDOKSSA-N 2 1 419.585 3.558 20 0 HHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+]C(C)(C)c3ccccc3C)CC2)cc1 ZINC000555612543 1073674306 /nfs/dbraw/zinc/67/43/06/1073674306.db2.gz RWYURMOFPBLSAO-UHFFFAOYSA-N 2 1 409.574 3.563 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+]C(C)(C)c3ccccc3C)CC2)cc1 ZINC000555612543 1073674310 /nfs/dbraw/zinc/67/43/10/1073674310.db2.gz RWYURMOFPBLSAO-UHFFFAOYSA-N 2 1 409.574 3.563 20 0 HHADMP O=C(C[N@@H+]1CCCCC[C@H]1Cc1ccccc1Cl)NC1CC[NH+](C2CC2)CC1 ZINC000555612304 1073674829 /nfs/dbraw/zinc/67/48/29/1073674829.db2.gz VIDJRHWTWASWJP-NRFANRHFSA-N 2 1 403.998 3.870 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]Cc3ccc(N4CCCC4)nc3)C3(C2)CCOCC3)cc1 ZINC000555612290 1073674860 /nfs/dbraw/zinc/67/48/60/1073674860.db2.gz KNPQSTZWYILIJO-XMMPIXPASA-N 2 1 420.601 3.700 20 0 HHADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)c1 ZINC000600326284 1073760595 /nfs/dbraw/zinc/76/05/95/1073760595.db2.gz DHWAHXNOUMYQMV-UHFFFAOYSA-N 2 1 422.617 3.987 20 0 HHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000590395799 1073782289 /nfs/dbraw/zinc/78/22/89/1073782289.db2.gz HXWPNLALVCJXRR-BWKNWUBXSA-N 2 1 420.601 3.988 20 0 HHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000590395799 1073782293 /nfs/dbraw/zinc/78/22/93/1073782293.db2.gz HXWPNLALVCJXRR-BWKNWUBXSA-N 2 1 420.601 3.988 20 0 HHADMP CCN(C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000760596543 1074145041 /nfs/dbraw/zinc/14/50/41/1074145041.db2.gz KURAVWFTTWXHTR-QFIPXVFZSA-N 2 1 421.589 3.567 20 0 HHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+]C3(c4ccc(F)cc4)CCC3)CC2)cc1 ZINC000591375519 1074273432 /nfs/dbraw/zinc/27/34/32/1074273432.db2.gz DEMQEYWXWJYPPI-UHFFFAOYSA-N 2 1 409.549 3.837 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000591419205 1074283254 /nfs/dbraw/zinc/28/32/54/1074283254.db2.gz GGLBYSMPKYLKAS-GGAORHGYSA-N 2 1 421.585 3.944 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000591419205 1074283261 /nfs/dbraw/zinc/28/32/61/1074283261.db2.gz GGLBYSMPKYLKAS-GGAORHGYSA-N 2 1 421.585 3.944 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000591419205 1074283264 /nfs/dbraw/zinc/28/32/64/1074283264.db2.gz GGLBYSMPKYLKAS-GGAORHGYSA-N 2 1 421.585 3.944 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[NH+](C2CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000591576787 1074420978 /nfs/dbraw/zinc/42/09/78/1074420978.db2.gz XDGJERRVQSZCJY-LJQANCHMSA-N 2 1 412.500 3.578 20 0 HHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000591580922 1074424408 /nfs/dbraw/zinc/42/44/08/1074424408.db2.gz BPXBHVARWPCJPZ-VQTJNVASSA-N 2 1 404.624 3.620 20 0 HHADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000591717194 1074480608 /nfs/dbraw/zinc/48/06/08/1074480608.db2.gz QRNNUOLBXGAUAN-UHFFFAOYSA-N 2 1 406.368 3.826 20 0 HHADMP Cc1cc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccc1Oc1cccnc1 ZINC000573489857 1074526009 /nfs/dbraw/zinc/52/60/09/1074526009.db2.gz XNEQWDYIQSCDQM-AIZNXBIQSA-N 2 1 406.574 3.925 20 0 HHADMP Cc1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccc1Oc1cccnc1 ZINC000573489857 1074526018 /nfs/dbraw/zinc/52/60/18/1074526018.db2.gz XNEQWDYIQSCDQM-AIZNXBIQSA-N 2 1 406.574 3.925 20 0 HHADMP Cc1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccc1Oc1cccnc1 ZINC000573489857 1074526026 /nfs/dbraw/zinc/52/60/26/1074526026.db2.gz XNEQWDYIQSCDQM-AIZNXBIQSA-N 2 1 406.574 3.925 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCCO[C@H](c3ccccc3)C2)CC1 ZINC000591810109 1074588765 /nfs/dbraw/zinc/58/87/65/1074588765.db2.gz AXMNOJIAIXPLFO-VWLOTQADSA-N 2 1 421.585 3.539 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCCO[C@H](c3ccccc3)C2)CC1 ZINC000591810109 1074588768 /nfs/dbraw/zinc/58/87/68/1074588768.db2.gz AXMNOJIAIXPLFO-VWLOTQADSA-N 2 1 421.585 3.539 20 0 HHADMP C[C@H]1CCC[N@@H+](CCNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000592490624 1074770113 /nfs/dbraw/zinc/77/01/13/1074770113.db2.gz VWPSFNWHHKZOGH-SFHVURJKSA-N 2 1 407.002 3.583 20 0 HHADMP C[C@H](CNC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[N@@H+]1CCc2sccc2C1 ZINC000593499408 1075204370 /nfs/dbraw/zinc/20/43/70/1075204370.db2.gz WRTGGUZSXMZEIA-QGZVFWFLSA-N 2 1 416.591 3.647 20 0 HHADMP C[C@H](CNC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[N@H+]1CCc2sccc2C1 ZINC000593499408 1075204372 /nfs/dbraw/zinc/20/43/72/1075204372.db2.gz WRTGGUZSXMZEIA-QGZVFWFLSA-N 2 1 416.591 3.647 20 0 HHADMP C[NH+](C)[C@H]1CCCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000596438187 1075561363 /nfs/dbraw/zinc/56/13/63/1075561363.db2.gz XWVTYDNWXGQZHK-KRWDZBQOSA-N 2 1 413.393 3.693 20 0 HHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC(F)(C[NH3+])CC4)c23)C1 ZINC001164386862 718813401 /nfs/dbraw/zinc/81/34/01/718813401.db2.gz BEGRQWLAJZRPFF-OAHLLOKOSA-N 2 1 417.598 3.679 20 0 HHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CC[C@H]5C[C@@]5([NH3+])C4)c23)C1 ZINC001164419340 718896579 /nfs/dbraw/zinc/89/65/79/718896579.db2.gz IERGWERAOUKBBL-VBURHUQHSA-N 2 1 411.619 3.730 20 0 HHADMP C[N@@H+](Cc1ccc(N(c2cccc(F)c2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nc1)C1CC1 ZINC001164646397 719297012 /nfs/dbraw/zinc/29/70/12/719297012.db2.gz BEERFEIBVOXOEW-UPVQGACJSA-N 2 1 410.537 3.864 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(-c3cccc4ccccc43)nn2)c2c1CC[NH2+]C2 ZINC001164679636 719646217 /nfs/dbraw/zinc/64/62/17/719646217.db2.gz JITFBXUYVZVGNO-UHFFFAOYSA-N 2 1 412.541 3.968 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(-c3cccc4ccccc43)nn2)c2c1CC[NH2+]C2 ZINC001164679636 719646227 /nfs/dbraw/zinc/64/62/27/719646227.db2.gz JITFBXUYVZVGNO-UHFFFAOYSA-N 2 1 412.541 3.968 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)C2(c3ccc(Cl)nc3)CC2)c2c1CC[NH2+]C2 ZINC001164681022 719652004 /nfs/dbraw/zinc/65/20/04/719652004.db2.gz LQWPURQBYOPWSF-UHFFFAOYSA-N 2 1 409.912 3.699 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)C2(c3ccc(Cl)nc3)CC2)c2c1CC[NH2+]C2 ZINC001164681022 719652017 /nfs/dbraw/zinc/65/20/17/719652017.db2.gz LQWPURQBYOPWSF-UHFFFAOYSA-N 2 1 409.912 3.699 20 0 HHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc3[nH]ccc3c(C)[nH+]1)CC2 ZINC001164711727 720136018 /nfs/dbraw/zinc/13/60/18/720136018.db2.gz IMVSABGCFFHKHJ-HXUWFJFHSA-N 2 1 405.546 3.774 20 0 HHADMP COc1ccc2c(cc[nH+]c2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164836572 720521124 /nfs/dbraw/zinc/52/11/24/720521124.db2.gz NGKSYTHSUFITAQ-SXWKCWPCSA-N 2 1 405.546 3.818 20 0 HHADMP COc1ccc2c(cc[nH+]c2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164836572 720521126 /nfs/dbraw/zinc/52/11/26/720521126.db2.gz NGKSYTHSUFITAQ-SXWKCWPCSA-N 2 1 405.546 3.818 20 0 HHADMP Clc1ccc(C[NH+]2CCCC2)c(N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)n1 ZINC001164838018 720738415 /nfs/dbraw/zinc/73/84/15/720738415.db2.gz PTCUVBSKUTWOBI-UHFFFAOYSA-N 2 1 414.985 3.580 20 0 HHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)nc1 ZINC001164843000 720740326 /nfs/dbraw/zinc/74/03/26/720740326.db2.gz HBGLYFOXYJNTEO-JOCHJYFZSA-N 2 1 408.594 3.877 20 0 HHADMP Cc1cc2ccccc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]1 ZINC001164747987 720838139 /nfs/dbraw/zinc/83/81/39/720838139.db2.gz SCSVBQMBAWUJJY-QNWVGRARSA-N 2 1 402.546 3.514 20 0 HHADMP Cc1cc2ccccc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]1 ZINC001164747987 720838141 /nfs/dbraw/zinc/83/81/41/720838141.db2.gz SCSVBQMBAWUJJY-QNWVGRARSA-N 2 1 402.546 3.514 20 0 HHADMP Cc1cc(C)[nH+]c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164754502 720870860 /nfs/dbraw/zinc/87/08/60/720870860.db2.gz RYJDYAAFBJLMHS-ZCYQVOJMSA-N 2 1 406.574 3.849 20 0 HHADMP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ccc4c([nH+]2)CCC4)C3)c1 ZINC001164757497 720884282 /nfs/dbraw/zinc/88/42/82/720884282.db2.gz VFGDILWYSLFHHB-OZXSUGGESA-N 2 1 418.585 3.720 20 0 HHADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccc4c([nH+]2)CCC4)C3)c1 ZINC001164757497 720884284 /nfs/dbraw/zinc/88/42/84/720884284.db2.gz VFGDILWYSLFHHB-OZXSUGGESA-N 2 1 418.585 3.720 20 0 HHADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3[nH+]c(C)cc4[nH]ccc43)C2)C1 ZINC001164777176 721353251 /nfs/dbraw/zinc/35/32/51/721353251.db2.gz DXTLUVSVZPQHFW-HSZRJFAPSA-N 2 1 409.534 3.595 20 0 HHADMP Cc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1NCC1CC1 ZINC001165026887 721798304 /nfs/dbraw/zinc/79/83/04/721798304.db2.gz RZHCKALWZLVDJC-NNWRFLSQSA-N 2 1 406.578 3.739 20 0 HHADMP Cc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1NCC1CC1 ZINC001165026887 721798308 /nfs/dbraw/zinc/79/83/08/721798308.db2.gz RZHCKALWZLVDJC-NNWRFLSQSA-N 2 1 406.578 3.739 20 0 HHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(N4CCCCC4)cc[nH+]3)C[C@H]21 ZINC001165020797 721817566 /nfs/dbraw/zinc/81/75/66/721817566.db2.gz DBQUUMPKZLVRMY-KSEOMHKRSA-N 2 1 406.578 3.599 20 0 HHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(N4CCCCC4)cc[nH+]3)C[C@H]21 ZINC001165020797 721817567 /nfs/dbraw/zinc/81/75/67/721817567.db2.gz DBQUUMPKZLVRMY-KSEOMHKRSA-N 2 1 406.578 3.599 20 0 HHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(N4CCCCC4)cc[nH+]3)C[C@@H]21 ZINC001165020794 721817649 /nfs/dbraw/zinc/81/76/49/721817649.db2.gz DBQUUMPKZLVRMY-BAGYTPMASA-N 2 1 406.578 3.599 20 0 HHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(N4CCCCC4)cc[nH+]3)C[C@@H]21 ZINC001165020794 721817651 /nfs/dbraw/zinc/81/76/51/721817651.db2.gz DBQUUMPKZLVRMY-BAGYTPMASA-N 2 1 406.578 3.599 20 0 HHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]21 ZINC001165027852 721823035 /nfs/dbraw/zinc/82/30/35/721823035.db2.gz UEPFLCHHEOWQHO-GMKZXUHWSA-N 2 1 405.590 3.809 20 0 HHADMP Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2cc(Cl)nc4c2CC[NH2+]C4)C3)c1 ZINC001164997304 722206740 /nfs/dbraw/zinc/20/67/40/722206740.db2.gz YYQVGNJWPVIKER-QFIPXVFZSA-N 2 1 400.929 3.765 20 0 HHADMP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000301641879 971012413 /nfs/dbraw/zinc/01/24/13/971012413.db2.gz BONXCHFBMRUZKH-SFHVURJKSA-N 2 1 411.546 3.941 20 0 HHADMP Cc1cc(NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)c2cc(F)ccc2[nH+]1 ZINC000301670320 971022834 /nfs/dbraw/zinc/02/28/34/971022834.db2.gz NQKQCXMROFXHHR-UHFFFAOYSA-N 2 1 422.504 3.955 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1cccc(F)c1 ZINC000303050874 971476919 /nfs/dbraw/zinc/47/69/19/971476919.db2.gz VCVIKNKCVUJJIM-DENIHFKCSA-N 2 1 401.501 3.596 20 0 HHADMP C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[NH+](C)C1CC1 ZINC000303277208 971593289 /nfs/dbraw/zinc/59/32/89/971593289.db2.gz SRPYIYRNESZICS-UWJYYQICSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[NH+](C)C1CC1 ZINC000303277208 971593297 /nfs/dbraw/zinc/59/32/97/971593297.db2.gz SRPYIYRNESZICS-UWJYYQICSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1)[N@H+](C)C1CC1 ZINC000303277208 971593305 /nfs/dbraw/zinc/59/33/05/971593305.db2.gz SRPYIYRNESZICS-UWJYYQICSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1)[N@@H+](C)C1CC1 ZINC000303277208 971593314 /nfs/dbraw/zinc/59/33/14/971593314.db2.gz SRPYIYRNESZICS-UWJYYQICSA-N 2 1 412.603 3.629 20 0 HHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000303293128 971605455 /nfs/dbraw/zinc/60/54/55/971605455.db2.gz MXYUBCOYWJLGRL-WOJBJXKFSA-N 2 1 404.624 3.620 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000303485900 971784882 /nfs/dbraw/zinc/78/48/82/971784882.db2.gz RAQGJJQRRHEDNY-TZIWHRDSSA-N 2 1 412.603 3.801 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000303485900 971784914 /nfs/dbraw/zinc/78/49/14/971784914.db2.gz RAQGJJQRRHEDNY-TZIWHRDSSA-N 2 1 412.603 3.801 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)[NH+]1CCCC1 ZINC000303491487 971789546 /nfs/dbraw/zinc/78/95/46/971789546.db2.gz SFYRPTSGAWBIQZ-OFNKIYASSA-N 2 1 424.589 3.652 20 0 HHADMP CC(=O)N1CC[NH+](CCOc2ccc(CC[NH2+][C@@H](C)[C@H](C)c3ccccc3)cc2)CC1 ZINC000542176407 1013114022 /nfs/dbraw/zinc/11/40/22/1013114022.db2.gz BBNARXSXWFZYHO-VXKWHMMOSA-N 2 1 423.601 3.554 20 0 HHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)CC1 ZINC000303593333 971886105 /nfs/dbraw/zinc/88/61/05/971886105.db2.gz VSKRFGKIPGLYOC-UHFFFAOYSA-N 2 1 415.557 3.702 20 0 HHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)CC1 ZINC000303593333 971886110 /nfs/dbraw/zinc/88/61/10/971886110.db2.gz VSKRFGKIPGLYOC-UHFFFAOYSA-N 2 1 415.557 3.702 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000303755623 972007328 /nfs/dbraw/zinc/00/73/28/972007328.db2.gz GLENGYFDENGLIX-QFIPXVFZSA-N 2 1 420.601 3.875 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000303755623 972007336 /nfs/dbraw/zinc/00/73/36/972007336.db2.gz GLENGYFDENGLIX-QFIPXVFZSA-N 2 1 420.601 3.875 20 0 HHADMP CCOc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1OC ZINC000537619338 1013162524 /nfs/dbraw/zinc/16/25/24/1013162524.db2.gz CWGQRAOULKNWJZ-UHFFFAOYSA-N 2 1 403.611 3.722 20 0 HHADMP CCOc1ccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1OC ZINC000537619338 1013162528 /nfs/dbraw/zinc/16/25/28/1013162528.db2.gz CWGQRAOULKNWJZ-UHFFFAOYSA-N 3 1 403.611 3.722 20 0 HHADMP CCOc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1OC ZINC000537619338 1013162535 /nfs/dbraw/zinc/16/25/35/1013162535.db2.gz CWGQRAOULKNWJZ-UHFFFAOYSA-N 3 1 403.611 3.722 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)CC1 ZINC000537691910 1013256720 /nfs/dbraw/zinc/25/67/20/1013256720.db2.gz DRFODXQZACERGB-UHFFFAOYSA-N 2 1 409.500 3.603 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)CC1 ZINC000537691910 1013256732 /nfs/dbraw/zinc/25/67/32/1013256732.db2.gz DRFODXQZACERGB-UHFFFAOYSA-N 2 1 409.500 3.603 20 0 HHADMP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ncc(-c4ccccc4)s3)c2)C1 ZINC000537747667 1013310569 /nfs/dbraw/zinc/31/05/69/1013310569.db2.gz DMZKOORXKCPTMR-NRFANRHFSA-N 2 1 420.582 3.797 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ncc(-c4ccccc4)s3)c2)C1 ZINC000537747667 1013310579 /nfs/dbraw/zinc/31/05/79/1013310579.db2.gz DMZKOORXKCPTMR-NRFANRHFSA-N 2 1 420.582 3.797 20 0 HHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)CC2)CC1 ZINC000553416915 1013339111 /nfs/dbraw/zinc/33/91/11/1013339111.db2.gz BHPGSGODCIZHDK-UHFFFAOYSA-N 2 1 415.597 3.803 20 0 HHADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C2CC[NH+](C)CC2)cc1OC ZINC000017314062 963185531 /nfs/dbraw/zinc/18/55/31/963185531.db2.gz HFLDLOAUFOREIY-UHFFFAOYSA-N 2 1 420.557 3.799 20 0 HHADMP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537843544 1013405298 /nfs/dbraw/zinc/40/52/98/1013405298.db2.gz ADHVXYKWUQUWAQ-PMACEKPBSA-N 2 1 424.589 3.894 20 0 HHADMP C[N@H+](Cc1cc(-n2ccnc2)cs1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000542466078 1013413471 /nfs/dbraw/zinc/41/34/71/1013413471.db2.gz FTSGTHXBKNMJSR-INIZCTEOSA-N 2 1 411.449 3.824 20 0 HHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000542466392 1013414802 /nfs/dbraw/zinc/41/48/02/1013414802.db2.gz IFQXJJCYBLVAMR-UHFFFAOYSA-N 2 1 401.514 3.633 20 0 HHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000542466392 1013414815 /nfs/dbraw/zinc/41/48/15/1013414815.db2.gz IFQXJJCYBLVAMR-UHFFFAOYSA-N 2 1 401.514 3.633 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542528645 1013470541 /nfs/dbraw/zinc/47/05/41/1013470541.db2.gz CJKVBIPYXYRBKB-SQNIBIBYSA-N 2 1 414.619 3.886 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542528645 1013470551 /nfs/dbraw/zinc/47/05/51/1013470551.db2.gz CJKVBIPYXYRBKB-SQNIBIBYSA-N 2 1 414.619 3.886 20 0 HHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000542528643 1013471004 /nfs/dbraw/zinc/47/10/04/1013471004.db2.gz CJKVBIPYXYRBKB-OKZBNKHCSA-N 2 1 414.619 3.886 20 0 HHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000542528643 1013471014 /nfs/dbraw/zinc/47/10/14/1013471014.db2.gz CJKVBIPYXYRBKB-OKZBNKHCSA-N 2 1 414.619 3.886 20 0 HHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+]C(C)(C)CCc3ccccc3)CC2)cc1 ZINC000553615951 1013500212 /nfs/dbraw/zinc/50/02/12/1013500212.db2.gz SJPQGQWONBPZSM-UHFFFAOYSA-N 2 1 423.601 3.731 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+]C(C)(C)CCc3ccccc3)CC2)cc1 ZINC000553615951 1013500222 /nfs/dbraw/zinc/50/02/22/1013500222.db2.gz SJPQGQWONBPZSM-UHFFFAOYSA-N 2 1 423.601 3.731 20 0 HHADMP Cc1cc(-c2noc([C@@H](C)[NH+]3CCC(C)(C[NH+]4CCN(C)CC4)CC3)n2)ccc1F ZINC000542592807 1013532669 /nfs/dbraw/zinc/53/26/69/1013532669.db2.gz HSABCOPNRAVGIQ-GOSISDBHSA-N 2 1 415.557 3.595 20 0 HHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)cc1 ZINC000053722077 965255347 /nfs/dbraw/zinc/25/53/47/965255347.db2.gz YIHKLUDHEIWTAV-IBGZPJMESA-N 2 1 409.578 3.645 20 0 HHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)cc1 ZINC000053722077 965255356 /nfs/dbraw/zinc/25/53/56/965255356.db2.gz YIHKLUDHEIWTAV-IBGZPJMESA-N 2 1 409.578 3.645 20 0 HHADMP CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000553735042 1013579089 /nfs/dbraw/zinc/57/90/89/1013579089.db2.gz UOBVUQJKHQORII-UHFFFAOYSA-N 2 1 405.493 3.932 20 0 HHADMP Cc1ccc(-c2cc(C[NH+]3CCC(OCC[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)on2)cc1 ZINC000538044477 1013616940 /nfs/dbraw/zinc/61/69/40/1013616940.db2.gz FURTTWFRORFMEG-WOJBJXKFSA-N 2 1 413.562 3.740 20 0 HHADMP O=C1N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1C[NH+](CC1CCCCC1)C1CC1 ZINC000060355702 966108123 /nfs/dbraw/zinc/10/81/23/966108123.db2.gz BCMRGYUVLJRUPE-VWLOTQADSA-N 2 1 424.589 3.575 20 0 HHADMP O=C1N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1C[NH+](CC1CCCCC1)C1CC1 ZINC000060355702 966108136 /nfs/dbraw/zinc/10/81/36/966108136.db2.gz BCMRGYUVLJRUPE-VWLOTQADSA-N 2 1 424.589 3.575 20 0 HHADMP O=C1N[C@]2(CCC[NH+](Cc3ccccc3)C2)C(=O)N1C[N@H+](CC1CCCCC1)C1CC1 ZINC000060355702 966108146 /nfs/dbraw/zinc/10/81/46/966108146.db2.gz BCMRGYUVLJRUPE-VWLOTQADSA-N 2 1 424.589 3.575 20 0 HHADMP O=C1N[C@]2(CCC[NH+](Cc3ccccc3)C2)C(=O)N1C[N@@H+](CC1CCCCC1)C1CC1 ZINC000060355702 966108154 /nfs/dbraw/zinc/10/81/54/966108154.db2.gz BCMRGYUVLJRUPE-VWLOTQADSA-N 2 1 424.589 3.575 20 0 HHADMP CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000060368512 966115924 /nfs/dbraw/zinc/11/59/24/966115924.db2.gz JVKFFEQAWQSNTG-BZSNNMDCSA-N 2 1 405.608 3.557 20 0 HHADMP COc1cccc(CNC(=O)[C@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000060381455 966123517 /nfs/dbraw/zinc/12/35/17/966123517.db2.gz KQFNKXDLNOQYEO-FQEVSTJZSA-N 2 1 409.574 3.544 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000538058158 1013635068 /nfs/dbraw/zinc/63/50/68/1013635068.db2.gz RNJNRUKJNAVHMK-ROUUACIJSA-N 2 1 401.576 3.559 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000061795729 966558350 /nfs/dbraw/zinc/55/83/50/966558350.db2.gz SXNSPSMJXJWROR-HXUWFJFHSA-N 2 1 400.592 3.836 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000061868865 966568619 /nfs/dbraw/zinc/56/86/19/966568619.db2.gz LTSNLROUVHHJPR-HXUWFJFHSA-N 2 1 408.590 3.980 20 0 HHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3cnc(N(C)C)s3)cc2)C[C@H]1C ZINC000538122803 1013685151 /nfs/dbraw/zinc/68/51/51/1013685151.db2.gz RPVLHQURBWMDIV-HDICACEKSA-N 2 1 402.608 3.508 20 0 HHADMP C[C@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542830217 1013695850 /nfs/dbraw/zinc/69/58/50/1013695850.db2.gz WRJRGDVYSMYONG-DJPFJPOOSA-N 2 1 407.002 3.895 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)cc1 ZINC000063914745 966996063 /nfs/dbraw/zinc/99/60/63/966996063.db2.gz CJBSLQNBWPTEPI-UHFFFAOYSA-N 2 1 407.558 3.639 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(CC[NH+](C)C)Cc2ccccc2F)c1 ZINC000064229459 967095473 /nfs/dbraw/zinc/09/54/73/967095473.db2.gz CLJBSTWBBARUEA-UHFFFAOYSA-N 2 1 400.542 3.551 20 0 HHADMP Cc1cc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000538145827 1013705095 /nfs/dbraw/zinc/70/50/95/1013705095.db2.gz ZUOLAMYRDJHQJB-UHFFFAOYSA-N 2 1 401.986 3.563 20 0 HHADMP Cc1cc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000538145827 1013705097 /nfs/dbraw/zinc/70/50/97/1013705097.db2.gz ZUOLAMYRDJHQJB-UHFFFAOYSA-N 2 1 401.986 3.563 20 0 HHADMP Cc1cc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000538145827 1013705101 /nfs/dbraw/zinc/70/51/01/1013705101.db2.gz ZUOLAMYRDJHQJB-UHFFFAOYSA-N 2 1 401.986 3.563 20 0 HHADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(Br)c1 ZINC000542850552 1013709083 /nfs/dbraw/zinc/70/90/83/1013709083.db2.gz YXESRPITXBBMHA-MAUKXSAKSA-N 2 1 419.363 3.875 20 0 HHADMP Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[NH+](C)C)cc1 ZINC000064644411 967257523 /nfs/dbraw/zinc/25/75/23/967257523.db2.gz WVRGYALRCYKSHM-UGKGYDQZSA-N 2 1 414.619 3.871 20 0 HHADMP C[C@H](CNC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000065522918 967506478 /nfs/dbraw/zinc/50/64/78/967506478.db2.gz BJXHLQHFNWGJDI-NMMYMHLASA-N 2 1 406.574 3.568 20 0 HHADMP C[C@H](CNC(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000065522918 967506487 /nfs/dbraw/zinc/50/64/87/967506487.db2.gz BJXHLQHFNWGJDI-NMMYMHLASA-N 2 1 406.574 3.568 20 0 HHADMP C[C@H](CNC(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000065522918 967506490 /nfs/dbraw/zinc/50/64/90/967506490.db2.gz BJXHLQHFNWGJDI-NMMYMHLASA-N 2 1 406.574 3.568 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000045790113 967553696 /nfs/dbraw/zinc/55/36/96/967553696.db2.gz RRDNYKZFOIFYSK-UHFFFAOYSA-N 2 1 408.590 3.944 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000045790113 967553698 /nfs/dbraw/zinc/55/36/98/967553698.db2.gz RRDNYKZFOIFYSK-UHFFFAOYSA-N 2 1 408.590 3.944 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000045790113 967553707 /nfs/dbraw/zinc/55/37/07/967553707.db2.gz RRDNYKZFOIFYSK-UHFFFAOYSA-N 2 1 408.590 3.944 20 0 HHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000046346467 967756363 /nfs/dbraw/zinc/75/63/63/967756363.db2.gz HQBOTRKVDGYGSM-NRFANRHFSA-N 2 1 400.592 3.577 20 0 HHADMP C[N@H+](CCc1cccc(NC(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)c1)C1CC1 ZINC000538228011 1013777519 /nfs/dbraw/zinc/77/75/19/1013777519.db2.gz NCHKVRLGNOZYOQ-DEOSSOPVSA-N 2 1 407.558 3.553 20 0 HHADMP C[N@@H+](CCc1cccc(NC(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)c1)C1CC1 ZINC000538228011 1013777529 /nfs/dbraw/zinc/77/75/29/1013777529.db2.gz NCHKVRLGNOZYOQ-DEOSSOPVSA-N 2 1 407.558 3.553 20 0 HHADMP C[NH+](CCc1cccc(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1)C1CC1 ZINC000538228011 1013777538 /nfs/dbraw/zinc/77/75/38/1013777538.db2.gz NCHKVRLGNOZYOQ-DEOSSOPVSA-N 2 1 407.558 3.553 20 0 HHADMP C[NH+](CCc1cccc(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1)C1CC1 ZINC000538228011 1013777548 /nfs/dbraw/zinc/77/75/48/1013777548.db2.gz NCHKVRLGNOZYOQ-DEOSSOPVSA-N 2 1 407.558 3.553 20 0 HHADMP C[NH+](C)Cc1cccc(NC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC000047505726 968216119 /nfs/dbraw/zinc/21/61/19/968216119.db2.gz WGRHGDPXSSZVOR-UHFFFAOYSA-N 2 1 402.489 3.813 20 0 HHADMP CC(C)[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000047884071 968351046 /nfs/dbraw/zinc/35/10/46/968351046.db2.gz OWTZTXFBUYLYKZ-BGYRXZFFSA-N 2 1 400.611 3.837 20 0 HHADMP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000047970680 968380664 /nfs/dbraw/zinc/38/06/64/968380664.db2.gz LBNDNBCQMJDSED-QHCPKHFHSA-N 2 1 415.578 3.901 20 0 HHADMP C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)[N@@H+]1CCc2sccc2C1 ZINC000048220649 968489785 /nfs/dbraw/zinc/48/97/85/968489785.db2.gz NOPKROSPKHFCBX-SFHVURJKSA-N 2 1 412.603 3.590 20 0 HHADMP C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)[N@H+]1CCc2sccc2C1 ZINC000048220649 968489790 /nfs/dbraw/zinc/48/97/90/968489790.db2.gz NOPKROSPKHFCBX-SFHVURJKSA-N 2 1 412.603 3.590 20 0 HHADMP COc1ccc(OC)c([C@H](C)NC(=O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000538268989 1013809580 /nfs/dbraw/zinc/80/95/80/1013809580.db2.gz SABQFMASDVJMCI-IRXDYDNUSA-N 2 1 422.529 3.726 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NCCc2nc3ccccc3s2)cc1 ZINC000538268888 1013809947 /nfs/dbraw/zinc/80/99/47/1013809947.db2.gz OWZMSKVRSACOLU-MRXNPFEDSA-N 2 1 419.554 3.800 20 0 HHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)c1 ZINC000065976655 968747197 /nfs/dbraw/zinc/74/71/97/968747197.db2.gz MQWOKQOTEIMHDZ-UHFFFAOYSA-N 2 1 409.574 3.818 20 0 HHADMP CC[C@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(OC)cc1 ZINC000538291199 1013826719 /nfs/dbraw/zinc/82/67/19/1013826719.db2.gz PJPSVWDVUOYZKL-DEOSSOPVSA-N 2 1 415.622 3.844 20 0 HHADMP COc1cccc([C@@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)[NH+]2CCCC2)c1 ZINC000072027241 968940569 /nfs/dbraw/zinc/94/05/69/968940569.db2.gz FSFAXUWLRUKWRH-BJKOFHAPSA-N 2 1 407.558 3.613 20 0 HHADMP Cc1ccc([C@H](CNC(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)[NH+](C)C)cc1 ZINC000078872858 969020091 /nfs/dbraw/zinc/02/00/91/969020091.db2.gz YDXKRWKRHFMBFA-XXBNENTESA-N 2 1 410.562 3.813 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)cc2)CC1 ZINC000096626737 969049605 /nfs/dbraw/zinc/04/96/05/969049605.db2.gz BLMYSAOCTZYVNX-NRFANRHFSA-N 2 1 424.564 3.818 20 0 HHADMP CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000109345941 969503380 /nfs/dbraw/zinc/50/33/80/969503380.db2.gz DZCPSWVQTZMQMQ-WOJBJXKFSA-N 2 1 409.574 3.678 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000109345941 969503386 /nfs/dbraw/zinc/50/33/86/969503386.db2.gz DZCPSWVQTZMQMQ-WOJBJXKFSA-N 2 1 409.574 3.678 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1)C(C)C ZINC000110172654 969632709 /nfs/dbraw/zinc/63/27/09/969632709.db2.gz BHQHCGUNLIKQQH-UHFFFAOYSA-N 2 1 422.617 3.859 20 0 HHADMP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000110233361 969641208 /nfs/dbraw/zinc/64/12/08/969641208.db2.gz NQEHSZOUOBLPNZ-PMACEKPBSA-N 2 1 401.595 3.961 20 0 HHADMP C[C@@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000110909605 969739758 /nfs/dbraw/zinc/73/97/58/969739758.db2.gz VZFVGMGHMHTKOC-KRWDZBQOSA-N 2 1 400.954 3.906 20 0 HHADMP C[C@@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000110909605 969739761 /nfs/dbraw/zinc/73/97/61/969739761.db2.gz VZFVGMGHMHTKOC-KRWDZBQOSA-N 2 1 400.954 3.906 20 0 HHADMP O=C(NCCC[NH+]1CCCCCC1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000111067648 969770536 /nfs/dbraw/zinc/77/05/36/969770536.db2.gz OYLZDVBTQDPFOE-OAQYLSRUSA-N 2 1 411.512 3.823 20 0 HHADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000554372943 1013924629 /nfs/dbraw/zinc/92/46/29/1013924629.db2.gz AMDPUZUWPJKAIM-YSIASYRMSA-N 2 1 411.512 3.963 20 0 HHADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)CC[N@H+]1Cc1ccccc1 ZINC000554372943 1013924641 /nfs/dbraw/zinc/92/46/41/1013924641.db2.gz AMDPUZUWPJKAIM-YSIASYRMSA-N 2 1 411.512 3.963 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cc(OC)ccc2OC)CC1 ZINC000236984367 970200246 /nfs/dbraw/zinc/20/02/46/970200246.db2.gz SKXZOWNMFVXUTI-KRWDZBQOSA-N 2 1 401.526 3.836 20 0 HHADMP Cc1cc(F)ccc1-c1ccc(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)o1 ZINC000237180326 970236792 /nfs/dbraw/zinc/23/67/92/970236792.db2.gz ZEJFELDGLFFDDQ-UHFFFAOYSA-N 2 1 409.505 3.975 20 0 HHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000237183853 970237377 /nfs/dbraw/zinc/23/73/77/970237377.db2.gz GGLKMTLZMFINFS-MRXNPFEDSA-N 2 1 404.352 3.855 20 0 HHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000237183853 970237394 /nfs/dbraw/zinc/23/73/94/970237394.db2.gz GGLKMTLZMFINFS-MRXNPFEDSA-N 2 1 404.352 3.855 20 0 HHADMP COc1ccc2ccccc2c1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000237331660 970264389 /nfs/dbraw/zinc/26/43/89/970264389.db2.gz VBBYHXSHNUFSCJ-JOCHJYFZSA-N 2 1 417.553 3.836 20 0 HHADMP COc1cc(OC)cc(Oc2ccc(C[NH2+]CCCN3CCC[N@@H+](C)CC3)cc2)c1 ZINC000237357365 970269573 /nfs/dbraw/zinc/26/95/73/970269573.db2.gz VYQRNDCFUUKETG-UHFFFAOYSA-N 2 1 413.562 3.613 20 0 HHADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000149016841 970378866 /nfs/dbraw/zinc/37/88/66/970378866.db2.gz AQFDKOWJMMYXPU-UYAOXDASSA-N 2 1 416.591 3.689 20 0 HHADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000237914405 970393098 /nfs/dbraw/zinc/39/30/98/970393098.db2.gz FBYFNJUVYJOJMA-LJQANCHMSA-N 2 1 415.965 3.596 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000237914405 970393108 /nfs/dbraw/zinc/39/31/08/970393108.db2.gz FBYFNJUVYJOJMA-LJQANCHMSA-N 2 1 415.965 3.596 20 0 HHADMP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc(Cl)cc3Cl)c2)C1 ZINC000237916107 970394671 /nfs/dbraw/zinc/39/46/71/970394671.db2.gz RZNFLQOWDSXMNI-GOSISDBHSA-N 2 1 406.357 3.981 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(Cl)cc3Cl)c2)C1 ZINC000237916107 970394680 /nfs/dbraw/zinc/39/46/80/970394680.db2.gz RZNFLQOWDSXMNI-GOSISDBHSA-N 2 1 406.357 3.981 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(OC4CCCC4)c3)c2)C1 ZINC000237924102 970395507 /nfs/dbraw/zinc/39/55/07/970395507.db2.gz AATFGKVTAJDFAG-HSZRJFAPSA-N 2 1 421.585 3.995 20 0 HHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000237977859 970409626 /nfs/dbraw/zinc/40/96/26/970409626.db2.gz VXPAOSTZLOWXKW-XMMPIXPASA-N 2 1 404.558 3.866 20 0 HHADMP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2nc(-c3ccccc3)cs2)cc1 ZINC000238076982 970435720 /nfs/dbraw/zinc/43/57/20/970435720.db2.gz ATEDACRYTDRZNV-UHFFFAOYSA-N 2 1 420.582 3.926 20 0 HHADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C1 ZINC000251806047 970550552 /nfs/dbraw/zinc/55/05/52/970550552.db2.gz YITRDOJXZCHVRM-QTDDQOEGSA-N 2 1 421.585 3.861 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C1 ZINC000251806047 970550563 /nfs/dbraw/zinc/55/05/63/970550563.db2.gz YITRDOJXZCHVRM-QTDDQOEGSA-N 2 1 421.585 3.861 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc(NC(=O)C(C)(C)C)cc1C ZINC000261379356 970636042 /nfs/dbraw/zinc/63/60/42/970636042.db2.gz BOZGEHAUQQVGHU-QGZVFWFLSA-N 2 1 422.639 3.529 20 0 HHADMP CC[N@H+](CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)CC1CC1 ZINC000261412458 970661433 /nfs/dbraw/zinc/66/14/33/970661433.db2.gz KZDWZJIYZCZAJA-UHFFFAOYSA-N 2 1 406.574 3.679 20 0 HHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000554723234 1014031591 /nfs/dbraw/zinc/03/15/91/1014031591.db2.gz VEVWUZGQIVXFFF-UHFFFAOYSA-N 2 1 413.953 3.849 20 0 HHADMP C[C@@H](c1nnc(-c2ccccc2F)s1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000554812002 1014054837 /nfs/dbraw/zinc/05/48/37/1014054837.db2.gz JQILDUBVXQSDJP-KRWDZBQOSA-N 2 1 417.598 3.755 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2cccc(OCC[NH+](C)C)c2)cc1F ZINC000409771394 973248713 /nfs/dbraw/zinc/24/87/13/973248713.db2.gz QZOVMXKCAJJJBK-UHFFFAOYSA-N 2 1 411.481 3.582 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000410315235 973859869 /nfs/dbraw/zinc/85/98/69/973859869.db2.gz TXUIXJQWYPWKGG-UHFFFAOYSA-N 2 1 408.590 3.781 20 0 HHADMP CC[N@@H+](CCNC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1)CCC(F)(F)F ZINC000425995997 974110245 /nfs/dbraw/zinc/11/02/45/974110245.db2.gz NXSIUMKCLISUEY-NVXWUHKLSA-N 2 1 420.545 3.705 20 0 HHADMP CC[NH+](CCNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)CCC(F)(F)F ZINC000425995997 974110247 /nfs/dbraw/zinc/11/02/47/974110247.db2.gz NXSIUMKCLISUEY-NVXWUHKLSA-N 2 1 420.545 3.705 20 0 HHADMP CC[NH+](CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)CCC(F)(F)F ZINC000425995997 974110252 /nfs/dbraw/zinc/11/02/52/974110252.db2.gz NXSIUMKCLISUEY-NVXWUHKLSA-N 2 1 420.545 3.705 20 0 HHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000426129672 974251382 /nfs/dbraw/zinc/25/13/82/974251382.db2.gz VUUSVMDCKSHLGD-RTWAWAEBSA-N 2 1 400.567 3.642 20 0 HHADMP Cn1c2ccccc2cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1=O ZINC000426302178 974382293 /nfs/dbraw/zinc/38/22/93/974382293.db2.gz HFXKQTOSFNQQCB-YFNKSVMNSA-N 2 1 401.554 3.929 20 0 HHADMP COc1ccc(CC[C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1O ZINC000426409408 974436301 /nfs/dbraw/zinc/43/63/01/974436301.db2.gz GZDUNDIDQGACIJ-REWPJTCUSA-N 2 1 411.590 3.690 20 0 HHADMP C[C@H](C(=O)NCc1ccccc1Cl)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426827105 974692108 /nfs/dbraw/zinc/69/21/08/974692108.db2.gz HIPLNYUILHMBMR-CEXWTWQISA-N 2 1 422.013 3.556 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000426884845 974730792 /nfs/dbraw/zinc/73/07/92/974730792.db2.gz WIWDXIKTPYSSPV-NSISKUIASA-N 2 1 409.496 3.831 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000426884845 974730795 /nfs/dbraw/zinc/73/07/95/974730795.db2.gz WIWDXIKTPYSSPV-NSISKUIASA-N 2 1 409.496 3.831 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000426884845 974730797 /nfs/dbraw/zinc/73/07/97/974730797.db2.gz WIWDXIKTPYSSPV-NSISKUIASA-N 2 1 409.496 3.831 20 0 HHADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000427490216 975144755 /nfs/dbraw/zinc/14/47/55/975144755.db2.gz IJBSQXFWJCVTPV-HSZRJFAPSA-N 2 1 407.558 3.820 20 0 HHADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000427490216 975144758 /nfs/dbraw/zinc/14/47/58/975144758.db2.gz IJBSQXFWJCVTPV-HSZRJFAPSA-N 2 1 407.558 3.820 20 0 HHADMP Cc1cc(NC(=O)C2CC[NH+](C(C)C)CC2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000427932127 975355702 /nfs/dbraw/zinc/35/57/02/975355702.db2.gz NWBFKILDZOAQKM-QFIPXVFZSA-N 2 1 409.578 3.697 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]Cc4cccnc4N4CCOCC4)[C@@H]3C2)cc1 ZINC000428245029 975562292 /nfs/dbraw/zinc/56/22/92/975562292.db2.gz ZYXHSPIMQQKUSE-GVAUOCQISA-N 2 1 420.601 3.699 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000428270327 975584243 /nfs/dbraw/zinc/58/42/43/975584243.db2.gz MYNDNPOCCQTXAH-QMMLZNLJSA-N 2 1 400.592 3.703 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NCCC[NH+]2CCc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000428283287 975597221 /nfs/dbraw/zinc/59/72/21/975597221.db2.gz STSFIJPWELSIQK-PXDATVDWSA-N 2 1 420.601 3.787 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000428283287 975597225 /nfs/dbraw/zinc/59/72/25/975597225.db2.gz STSFIJPWELSIQK-PXDATVDWSA-N 2 1 420.601 3.787 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NCCC[N@H+]2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000428283287 975597236 /nfs/dbraw/zinc/59/72/36/975597236.db2.gz STSFIJPWELSIQK-PXDATVDWSA-N 2 1 420.601 3.787 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N(C)C(C)(C)C[NH+]3CCCCCC3)CC2)cs1 ZINC000428422674 975739156 /nfs/dbraw/zinc/73/91/56/975739156.db2.gz MVAXUXMDJJESAM-UHFFFAOYSA-N 2 1 406.640 3.777 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)NCC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000429022788 976304188 /nfs/dbraw/zinc/30/41/88/976304188.db2.gz AACAXYBYUJGEER-DYESRHJHSA-N 2 1 422.976 3.646 20 0 HHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc4c(Br)cccc34)C2)CC1 ZINC000429042075 976327635 /nfs/dbraw/zinc/32/76/35/976327635.db2.gz CZXQNBDDYOBISC-SFHVURJKSA-N 2 1 402.380 3.814 20 0 HHADMP Cc1cc(NC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)n(C2CC[NH+](C)CC2)n1 ZINC000429334117 976598378 /nfs/dbraw/zinc/59/83/78/976598378.db2.gz WGEQPDBUTRALOM-DEOSSOPVSA-N 2 1 424.593 3.634 20 0 HHADMP Fc1ccc(C[N@H+]2CCCN(C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000429720845 977011368 /nfs/dbraw/zinc/01/13/68/977011368.db2.gz IVGFUNGETUJRCL-RUZDIDTESA-N 2 1 411.565 3.625 20 0 HHADMP Cc1ccc(C)c(NC(=O)Cc2nc(C[NH+]3CCC(C[NH+](C)C)CC3)cs2)c1 ZINC000430049920 977296865 /nfs/dbraw/zinc/29/68/65/977296865.db2.gz HEJJANWUEDSYIA-UHFFFAOYSA-N 2 1 400.592 3.715 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@]1(C)CCCc2ccccc21 ZINC000430665747 977677728 /nfs/dbraw/zinc/67/77/28/977677728.db2.gz BILPSHRWGHTDBV-AREMUKBSSA-N 2 1 411.634 3.935 20 0 HHADMP Cc1ccc2cccc(C(=O)N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2n1 ZINC000430670892 977682067 /nfs/dbraw/zinc/68/20/67/977682067.db2.gz OUMXNYSBAIJVKB-UHFFFAOYSA-N 2 1 408.590 3.812 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc2ncsc2c1 ZINC000430675388 977685812 /nfs/dbraw/zinc/68/58/12/977685812.db2.gz MCKSISCYWFESFY-UHFFFAOYSA-N 2 1 400.592 3.565 20 0 HHADMP CSCc1ccc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000430677570 977687850 /nfs/dbraw/zinc/68/78/50/977687850.db2.gz QPEQVLNJOGVWDK-UHFFFAOYSA-N 2 1 403.636 3.818 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1C2CC3CC(C2)CC1C3 ZINC000430680226 977690577 /nfs/dbraw/zinc/69/05/77/977690577.db2.gz ODTVXNUEHXDLQR-UHFFFAOYSA-N 2 1 401.639 3.713 20 0 HHADMP C[C@@H](SCc1ccccc1)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430683251 977693540 /nfs/dbraw/zinc/69/35/40/977693540.db2.gz VZDUCGAQJYTJTD-HXUWFJFHSA-N 2 1 417.663 3.963 20 0 HHADMP COc1ccccc1[C@H](C)CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430685008 977694061 /nfs/dbraw/zinc/69/40/61/977694061.db2.gz GKKBBTFCBYJNKB-HXUWFJFHSA-N 2 1 415.622 3.844 20 0 HHADMP Cc1c(F)cccc1NC(=O)CC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430912344 977880888 /nfs/dbraw/zinc/88/08/88/977880888.db2.gz HEBJBBLLJODBDF-UHFFFAOYSA-N 2 1 418.601 3.591 20 0 HHADMP Cc1c(F)cccc1NC(=O)CC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430912344 977880900 /nfs/dbraw/zinc/88/09/00/977880900.db2.gz HEBJBBLLJODBDF-UHFFFAOYSA-N 3 1 418.601 3.591 20 0 HHADMP Cc1c(F)cccc1NC(=O)CC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430912344 977880930 /nfs/dbraw/zinc/88/09/30/977880930.db2.gz HEBJBBLLJODBDF-UHFFFAOYSA-N 3 1 418.601 3.591 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC(=O)Nc3cccc4ccccc43)CC2)CC1 ZINC000430924051 977890779 /nfs/dbraw/zinc/89/07/79/977890779.db2.gz HQDLZSCFWRGBED-UHFFFAOYSA-N 2 1 422.617 3.906 20 0 HHADMP C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430930703 977894988 /nfs/dbraw/zinc/89/49/88/977894988.db2.gz YDJHVHQYQXNOTI-IBGZPJMESA-N 2 1 411.594 3.926 20 0 HHADMP CCN(C(=O)[C@@H](C)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccccc1 ZINC000430932645 977897479 /nfs/dbraw/zinc/89/74/79/977897479.db2.gz ZNOOYKGPGKYYTJ-OAQYLSRUSA-N 2 1 414.638 3.556 20 0 HHADMP CC(C)c1ccccc1NC(=O)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430936705 977900280 /nfs/dbraw/zinc/90/02/80/977900280.db2.gz WBDJISMWYWBZOQ-UHFFFAOYSA-N 2 1 414.638 3.877 20 0 HHADMP C[C@@H]1CCC[C@@H](CNC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@@H]1C ZINC000431001124 977945930 /nfs/dbraw/zinc/94/59/30/977945930.db2.gz ICWBTVXMSNEJOV-SJBKTWHCSA-N 2 1 406.659 3.896 20 0 HHADMP Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)n(C2CC[NH+](C)CC2)n1 ZINC000431097750 978016896 /nfs/dbraw/zinc/01/68/96/978016896.db2.gz DUGPEHFSWMOQAK-NRFANRHFSA-N 2 1 416.614 3.624 20 0 HHADMP Cc1cc(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000431114243 978026928 /nfs/dbraw/zinc/02/69/28/978026928.db2.gz KVHOUMKEXPSGAV-PMACEKPBSA-N 2 1 416.614 3.577 20 0 HHADMP Cc1cc(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000431114245 978027105 /nfs/dbraw/zinc/02/71/05/978027105.db2.gz KVHOUMKEXPSGAV-VQTJNVASSA-N 2 1 416.614 3.577 20 0 HHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCOc4cc5c(cc43)CCC5)cc2)CC1 ZINC000431354780 978231896 /nfs/dbraw/zinc/23/18/96/978231896.db2.gz ZMWGWMVPZIZZGX-VWLOTQADSA-N 2 1 405.586 3.926 20 0 HHADMP CCOc1cccc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000431406042 978278695 /nfs/dbraw/zinc/27/86/95/978278695.db2.gz SMIPJTZLBOWPSJ-UHFFFAOYSA-N 2 1 402.583 3.745 20 0 HHADMP CC(C)CC[NH+]1CCC(CNC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000431566822 978362380 /nfs/dbraw/zinc/36/23/80/978362380.db2.gz SKTNOZUXSLBPBF-OYRHEFFESA-N 2 1 415.622 3.784 20 0 HHADMP CC(C)CC[NH+]1CCC(CNC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000431566822 978362391 /nfs/dbraw/zinc/36/23/91/978362391.db2.gz SKTNOZUXSLBPBF-OYRHEFFESA-N 2 1 415.622 3.784 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+](C)C ZINC000431675907 978429163 /nfs/dbraw/zinc/42/91/63/978429163.db2.gz JZVCSOMDFMJJER-LSWJPFSZSA-N 2 1 424.589 3.650 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+](C)C ZINC000431675907 978429166 /nfs/dbraw/zinc/42/91/66/978429166.db2.gz JZVCSOMDFMJJER-LSWJPFSZSA-N 2 1 424.589 3.650 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000431677694 978430676 /nfs/dbraw/zinc/43/06/76/978430676.db2.gz FGCGIHFWFKHZTK-IFMALSPDSA-N 2 1 424.589 3.939 20 0 HHADMP C[NH+](C)[C@H](CC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccccc1 ZINC000431764076 978494339 /nfs/dbraw/zinc/49/43/39/978494339.db2.gz DVZZVKIOQALTKB-JOCHJYFZSA-N 2 1 401.501 3.738 20 0 HHADMP COc1cccc([C@@H](C)NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000431769856 978498754 /nfs/dbraw/zinc/49/87/54/978498754.db2.gz CVQDJUNFQOXKPD-LJQANCHMSA-N 2 1 416.610 3.594 20 0 HHADMP C[C@H](CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)[N@H+]1CCC[C@@H](C)C1 ZINC000431920822 978602242 /nfs/dbraw/zinc/60/22/42/978602242.db2.gz VKLDBZDPELXNDY-FGZHOGPDSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CCCO1 ZINC000432357381 978775999 /nfs/dbraw/zinc/77/59/99/978775999.db2.gz LMSXBZGUUPQZBH-NRFANRHFSA-N 2 1 419.573 3.584 20 0 HHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]CCC[N@@H+]3CCCO[C@@H](C)C3)c2)cc1 ZINC000432365030 978779277 /nfs/dbraw/zinc/77/92/77/978779277.db2.gz PGQJQKGKZJZAHF-IBGZPJMESA-N 2 1 411.546 3.538 20 0 HHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]CCC[N@H+]3CCCO[C@@H](C)C3)c2)cc1 ZINC000432365030 978779282 /nfs/dbraw/zinc/77/92/82/978779282.db2.gz PGQJQKGKZJZAHF-IBGZPJMESA-N 2 1 411.546 3.538 20 0 HHADMP CCN([C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000432871653 978997329 /nfs/dbraw/zinc/99/73/29/978997329.db2.gz LWMHPONFWIZHBO-UGKGYDQZSA-N 2 1 415.603 3.594 20 0 HHADMP COc1ccc(C[C@H](C)C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1F ZINC000432882642 979000274 /nfs/dbraw/zinc/00/02/74/979000274.db2.gz BPSABKPWQUKFDF-UGKGYDQZSA-N 2 1 400.538 3.894 20 0 HHADMP COc1ccc(C[C@H](C)C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1F ZINC000432882642 979000279 /nfs/dbraw/zinc/00/02/79/979000279.db2.gz BPSABKPWQUKFDF-UGKGYDQZSA-N 2 1 400.538 3.894 20 0 HHADMP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)NCC1(c2ccccc2)CC1 ZINC000433078150 979061217 /nfs/dbraw/zinc/06/12/17/979061217.db2.gz UVUXKOLIDVZGJV-UHFFFAOYSA-N 2 1 417.597 3.823 20 0 HHADMP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N1CCC[C@H](C(F)(F)F)C1 ZINC000433186578 979127499 /nfs/dbraw/zinc/12/74/99/979127499.db2.gz FLCHTOKRFVVIDI-FQEVSTJZSA-N 2 1 423.523 3.775 20 0 HHADMP CCOc1ccc(OC[C@H](O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000433215103 979148069 /nfs/dbraw/zinc/14/80/69/979148069.db2.gz WXEQHZKJCHUIII-HSZRJFAPSA-N 2 1 424.585 3.813 20 0 HHADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)CC1 ZINC000433376889 979262934 /nfs/dbraw/zinc/26/29/34/979262934.db2.gz ONKPYHHYZVGIKE-NQIIRXRSSA-N 2 1 408.558 3.925 20 0 HHADMP CC1CC[NH+](CCc2cccc(NC(=O)N(C)CC[N@@H+]3CCOC(C)(C)C3)c2)CC1 ZINC000433586417 979404829 /nfs/dbraw/zinc/40/48/29/979404829.db2.gz FVTMBLCVGSDEJB-UHFFFAOYSA-N 2 1 416.610 3.536 20 0 HHADMP CC1CC[NH+](CCc2cccc(NC(=O)N(C)CC[N@H+]3CCOC(C)(C)C3)c2)CC1 ZINC000433586417 979404833 /nfs/dbraw/zinc/40/48/33/979404833.db2.gz FVTMBLCVGSDEJB-UHFFFAOYSA-N 2 1 416.610 3.536 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000433916932 979678127 /nfs/dbraw/zinc/67/81/27/979678127.db2.gz BUZXBLUSUDDOFT-PLMTUMEDSA-N 2 1 422.976 3.788 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000433916932 979678133 /nfs/dbraw/zinc/67/81/33/979678133.db2.gz BUZXBLUSUDDOFT-PLMTUMEDSA-N 2 1 422.976 3.788 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000433916932 979678141 /nfs/dbraw/zinc/67/81/41/979678141.db2.gz BUZXBLUSUDDOFT-PLMTUMEDSA-N 2 1 422.976 3.788 20 0 HHADMP O[C@@H](COc1ccccc1C(F)(F)F)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434679395 980335094 /nfs/dbraw/zinc/33/50/94/980335094.db2.gz OOFGWDFFFRALNU-GOSISDBHSA-N 2 1 423.479 3.858 20 0 HHADMP Cc1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000435157669 980686526 /nfs/dbraw/zinc/68/65/26/980686526.db2.gz DUMNFVKAKYQAJR-FQEVSTJZSA-N 2 1 410.562 3.674 20 0 HHADMP Cc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000435157669 980686530 /nfs/dbraw/zinc/68/65/30/980686530.db2.gz DUMNFVKAKYQAJR-FQEVSTJZSA-N 2 1 410.562 3.674 20 0 HHADMP Cc1cc(NC(=O)[C@H](C)[NH+]2CCCCCC2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435284963 980759963 /nfs/dbraw/zinc/75/99/63/980759963.db2.gz MKLURFYXYUEWQZ-UNMCSNQZSA-N 2 1 409.578 3.842 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000435785864 981030718 /nfs/dbraw/zinc/03/07/18/981030718.db2.gz QOZHPOWGMIHEHG-ISJGIBHGSA-N 2 1 424.633 3.553 20 0 HHADMP C[C@H](c1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1)[NH+]1CCOCC1 ZINC000436333889 981306628 /nfs/dbraw/zinc/30/66/28/981306628.db2.gz KIXGTHQVGFHDGY-AUSIDOKSSA-N 2 1 414.594 3.998 20 0 HHADMP C[C@H](c1ccc(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1)[NH+]1CCOCC1 ZINC000436333889 981306634 /nfs/dbraw/zinc/30/66/34/981306634.db2.gz KIXGTHQVGFHDGY-AUSIDOKSSA-N 2 1 414.594 3.998 20 0 HHADMP O=C(c1ccccc1O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000436827149 981579142 /nfs/dbraw/zinc/57/91/42/981579142.db2.gz JNVBDBWUUBTDAB-NOTZXAQLSA-N 2 1 419.569 3.782 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000448206417 981618606 /nfs/dbraw/zinc/61/86/06/981618606.db2.gz UZAMBXSHPHUXIZ-ZYKOEDHHSA-N 2 1 410.606 3.870 20 0 HHADMP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448209906 981623544 /nfs/dbraw/zinc/62/35/44/981623544.db2.gz VULBRYWCTIRLGF-SIKLNZKXSA-N 2 1 416.635 3.618 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000437043802 981714245 /nfs/dbraw/zinc/71/42/45/981714245.db2.gz WCSJKJWLPYMDCF-LOSJGSFVSA-N 2 1 405.586 3.879 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000437043802 981714249 /nfs/dbraw/zinc/71/42/49/981714249.db2.gz WCSJKJWLPYMDCF-LOSJGSFVSA-N 2 1 405.586 3.879 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000437043802 981714256 /nfs/dbraw/zinc/71/42/56/981714256.db2.gz WCSJKJWLPYMDCF-LOSJGSFVSA-N 2 1 405.586 3.879 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000448460554 981793789 /nfs/dbraw/zinc/79/37/89/981793789.db2.gz CTSVCKMCWCSVPX-SLFFLAALSA-N 2 1 406.640 3.893 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)[C@H](C)C1 ZINC000448461319 981794683 /nfs/dbraw/zinc/79/46/83/981794683.db2.gz KJRGVICNCPNJFD-OFNKIYASSA-N 2 1 400.611 3.790 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)[C@@H](C)C1 ZINC000448460848 981794718 /nfs/dbraw/zinc/79/47/18/981794718.db2.gz GLOLSTOIAWORNK-NZQKXSOJSA-N 2 1 400.611 3.934 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)[NH+]2CCCC2)cc1 ZINC000448466221 981800633 /nfs/dbraw/zinc/80/06/33/981800633.db2.gz LRIOBSGGHHHGJM-NHTMILBNSA-N 2 1 410.606 3.790 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000448465793 981800868 /nfs/dbraw/zinc/80/08/68/981800868.db2.gz JNSWEHQNSGGOBB-QTEQDKRBSA-N 2 1 400.611 3.790 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000448465793 981800877 /nfs/dbraw/zinc/80/08/77/981800877.db2.gz JNSWEHQNSGGOBB-QTEQDKRBSA-N 2 1 400.611 3.790 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000448465793 981800886 /nfs/dbraw/zinc/80/08/86/981800886.db2.gz JNSWEHQNSGGOBB-QTEQDKRBSA-N 2 1 400.611 3.790 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000448467823 981803970 /nfs/dbraw/zinc/80/39/70/981803970.db2.gz RRYWRGSSIYFOQN-AKIFATBCSA-N 2 1 400.611 3.831 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)[C@H](C)C1 ZINC000448468168 981805302 /nfs/dbraw/zinc/80/53/02/981805302.db2.gz UMYRMALVNNXQIA-OFNKIYASSA-N 2 1 400.611 3.790 20 0 HHADMP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448468580 981806762 /nfs/dbraw/zinc/80/67/62/981806762.db2.gz VIJZZKXPQPGEFO-ISKFKSNPSA-N 2 1 410.606 3.831 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000460168610 981940537 /nfs/dbraw/zinc/94/05/37/981940537.db2.gz JFWARCDXLPDZBQ-YFNKSVMNSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460168610 981940543 /nfs/dbraw/zinc/94/05/43/981940543.db2.gz JFWARCDXLPDZBQ-YFNKSVMNSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460168610 981940548 /nfs/dbraw/zinc/94/05/48/981940548.db2.gz JFWARCDXLPDZBQ-YFNKSVMNSA-N 2 1 412.622 3.805 20 0 HHADMP C[NH+](C)CC[C@H](NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)C(C)(C)C ZINC000460339343 982111104 /nfs/dbraw/zinc/11/11/04/982111104.db2.gz CFXNUNXEOUXDBC-FKBYEOEOSA-N 2 1 400.611 3.516 20 0 HHADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000437651889 982270294 /nfs/dbraw/zinc/27/02/94/982270294.db2.gz FZTAPSCKXJSHGQ-DEOSSOPVSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)cc2)C[C@@H](C)O1 ZINC000437853234 982410902 /nfs/dbraw/zinc/41/09/02/982410902.db2.gz OAGKJZZIOWQLEN-YOSAUDMPSA-N 2 1 413.606 3.823 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)cc2)C[C@@H](C)O1 ZINC000437853234 982410906 /nfs/dbraw/zinc/41/09/06/982410906.db2.gz OAGKJZZIOWQLEN-YOSAUDMPSA-N 2 1 413.606 3.823 20 0 HHADMP CCOCCCn1c2ccccc2nc1NCc1nc2c(s1)CN(C(C)C)CC2 ZINC000460660317 982429979 /nfs/dbraw/zinc/42/99/79/982429979.db2.gz ZXSOLTBGEMDEEW-UHFFFAOYSA-N 2 1 413.591 4.298 20 0 HHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000437922265 982464360 /nfs/dbraw/zinc/46/43/60/982464360.db2.gz SOIGIZPWMVZACG-PMACEKPBSA-N 2 1 411.594 3.901 20 0 HHADMP CCOC(=O)Cn1nc(C)c(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1C ZINC000438088914 982581509 /nfs/dbraw/zinc/58/15/09/982581509.db2.gz MWZCYJNGGSKCHD-SFHVURJKSA-N 2 1 412.578 3.585 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3c[nH]nc3-c3ccsc3)CC2)CC1 ZINC000438101155 982588963 /nfs/dbraw/zinc/58/89/63/982588963.db2.gz SGPITYOTUDDPMR-UHFFFAOYSA-N 2 1 401.624 3.766 20 0 HHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1c[nH]nc1-c1ccsc1 ZINC000438101155 982588968 /nfs/dbraw/zinc/58/89/68/982588968.db2.gz SGPITYOTUDDPMR-UHFFFAOYSA-N 3 1 401.624 3.766 20 0 HHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1c[nH]nc1-c1ccsc1 ZINC000438101155 982588974 /nfs/dbraw/zinc/58/89/74/982588974.db2.gz SGPITYOTUDDPMR-UHFFFAOYSA-N 3 1 401.624 3.766 20 0 HHADMP Cc1ccc2c(C)cc(NCc3cccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)c3)[nH+]c2c1 ZINC000460939069 982677032 /nfs/dbraw/zinc/67/70/32/982677032.db2.gz MPZSQZNZLYPGAV-NRFANRHFSA-N 2 1 402.542 4.161 20 0 HHADMP Cc1ccc2c(C)cc(NCc3cccc(C[N@H+]4CCC[C@H](C(N)=O)C4)c3)[nH+]c2c1 ZINC000460939069 982677038 /nfs/dbraw/zinc/67/70/38/982677038.db2.gz MPZSQZNZLYPGAV-NRFANRHFSA-N 2 1 402.542 4.161 20 0 HHADMP C[C@H](NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000461209934 982923502 /nfs/dbraw/zinc/92/35/02/982923502.db2.gz CKFKKXNVYFYDHO-VDVKDMFPSA-N 2 1 420.601 3.841 20 0 HHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000461260177 982965708 /nfs/dbraw/zinc/96/57/08/982965708.db2.gz CBMJYQZBEBHCPV-PZJWPPBQSA-N 2 1 411.512 3.774 20 0 HHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000461260177 982965715 /nfs/dbraw/zinc/96/57/15/982965715.db2.gz CBMJYQZBEBHCPV-PZJWPPBQSA-N 2 1 411.512 3.774 20 0 HHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000461260177 982965722 /nfs/dbraw/zinc/96/57/22/982965722.db2.gz CBMJYQZBEBHCPV-PZJWPPBQSA-N 2 1 411.512 3.774 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000438847397 983114331 /nfs/dbraw/zinc/11/43/31/983114331.db2.gz CTXRCEZWMTVIKL-RDPSFJRHSA-N 2 1 421.589 3.571 20 0 HHADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000439199478 983307257 /nfs/dbraw/zinc/30/72/57/983307257.db2.gz NYZIMYYBHYGESP-GOTSBHOMSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000439199478 983307261 /nfs/dbraw/zinc/30/72/61/983307261.db2.gz NYZIMYYBHYGESP-GOTSBHOMSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000439199478 983307264 /nfs/dbraw/zinc/30/72/64/983307264.db2.gz NYZIMYYBHYGESP-GOTSBHOMSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000439345770 983374217 /nfs/dbraw/zinc/37/42/17/983374217.db2.gz HFPUXBDCBLUPEV-VXKWHMMOSA-N 2 1 422.013 3.604 20 0 HHADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000439345770 983374224 /nfs/dbraw/zinc/37/42/24/983374224.db2.gz HFPUXBDCBLUPEV-VXKWHMMOSA-N 2 1 422.013 3.604 20 0 HHADMP CC[NH+](CC)CCOc1cc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)ccc1OC ZINC000439844536 983555792 /nfs/dbraw/zinc/55/57/92/983555792.db2.gz VMBOXMNVPSIVJV-HXUWFJFHSA-N 2 1 403.567 3.761 20 0 HHADMP Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000440146083 983659973 /nfs/dbraw/zinc/65/99/73/983659973.db2.gz NKNDYVNZUFMHEQ-JOCHJYFZSA-N 2 1 412.578 3.765 20 0 HHADMP Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000440146083 983659975 /nfs/dbraw/zinc/65/99/75/983659975.db2.gz NKNDYVNZUFMHEQ-JOCHJYFZSA-N 2 1 412.578 3.765 20 0 HHADMP C[C@H]1[C@H](c2ccccc2)c2ccccc2CC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441072104 984056091 /nfs/dbraw/zinc/05/60/91/984056091.db2.gz SALUYFFGHPQJSN-CCLHPLFOSA-N 2 1 417.597 3.808 20 0 HHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000441366216 984210744 /nfs/dbraw/zinc/21/07/44/984210744.db2.gz MPWZDQZYJKCOHO-UHFFFAOYSA-N 2 1 417.601 3.963 20 0 HHADMP C[N@@H+](C[C@@H](O)COCc1ccccc1Cl)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000441612418 984355762 /nfs/dbraw/zinc/35/57/62/984355762.db2.gz PCPMGQAPLUOHON-IFMALSPDSA-N 2 1 402.966 3.671 20 0 HHADMP C[NH+](C[C@@H](O)COCc1ccccc1Cl)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000441612418 984355769 /nfs/dbraw/zinc/35/57/69/984355769.db2.gz PCPMGQAPLUOHON-IFMALSPDSA-N 2 1 402.966 3.671 20 0 HHADMP C[NH+](C[C@@H](O)COCc1ccccc1Cl)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000441612418 984355777 /nfs/dbraw/zinc/35/57/77/984355777.db2.gz PCPMGQAPLUOHON-IFMALSPDSA-N 2 1 402.966 3.671 20 0 HHADMP CCN1CCC([NH2+]CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000461794888 984783096 /nfs/dbraw/zinc/78/30/96/984783096.db2.gz BQPQKNWRZBEILY-UHFFFAOYSA-N 2 1 412.544 3.682 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3cc(C[NH+]4CCCC4)on3)cc2)C1 ZINC000461910807 984925997 /nfs/dbraw/zinc/92/59/97/984925997.db2.gz PGPSJINJCDKMIF-KDURUIRLSA-N 2 1 410.562 3.678 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3cc(C[NH+]4CCCC4)on3)cc2)C1 ZINC000461910807 984926001 /nfs/dbraw/zinc/92/60/01/984926001.db2.gz PGPSJINJCDKMIF-KDURUIRLSA-N 2 1 410.562 3.678 20 0 HHADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000462011434 984990082 /nfs/dbraw/zinc/99/00/82/984990082.db2.gz QZWPVLHGDQENGW-INIZCTEOSA-N 2 1 402.505 3.507 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000462251393 985234819 /nfs/dbraw/zinc/23/48/19/985234819.db2.gz AZXIXMJHMMWGLP-CVDCTZTESA-N 2 1 424.614 3.877 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000462251393 985234826 /nfs/dbraw/zinc/23/48/26/985234826.db2.gz AZXIXMJHMMWGLP-CVDCTZTESA-N 2 1 424.614 3.877 20 0 HHADMP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442874714 985254143 /nfs/dbraw/zinc/25/41/43/985254143.db2.gz NNUXQVOIJSBYLZ-RDTXWAMCSA-N 2 1 412.441 3.848 20 0 HHADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)CC1(C)C ZINC000442876048 985255510 /nfs/dbraw/zinc/25/55/10/985255510.db2.gz PERVQOMDZKYNAH-QGZVFWFLSA-N 2 1 400.792 3.705 20 0 HHADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCc3c2cc(Cl)cc3Br)CC1(C)C ZINC000442876047 985256065 /nfs/dbraw/zinc/25/60/65/985256065.db2.gz PERVQOMDZKYNAH-KRWDZBQOSA-N 2 1 400.792 3.705 20 0 HHADMP CC[NH+]1CCN(c2ccc(-c3noc([C@H](C)[NH+]4[C@@H](C)CC[C@@H]4C)n3)cc2F)CC1 ZINC000443190330 985434691 /nfs/dbraw/zinc/43/46/91/985434691.db2.gz BDEWCVNYSCQGGZ-ULQDDVLXSA-N 2 1 401.530 3.951 20 0 HHADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000462614354 985557783 /nfs/dbraw/zinc/55/77/83/985557783.db2.gz GNRJJLKBVCITHQ-OAQYLSRUSA-N 2 1 400.611 3.805 20 0 HHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000462614354 985557791 /nfs/dbraw/zinc/55/77/91/985557791.db2.gz GNRJJLKBVCITHQ-OAQYLSRUSA-N 2 1 400.611 3.805 20 0 HHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000462614354 985557800 /nfs/dbraw/zinc/55/78/00/985557800.db2.gz GNRJJLKBVCITHQ-OAQYLSRUSA-N 2 1 400.611 3.805 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000462746904 985688043 /nfs/dbraw/zinc/68/80/43/985688043.db2.gz VJVKFEVWDKRXTF-PMVMPFDFSA-N 2 1 400.611 3.660 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000462746904 985688054 /nfs/dbraw/zinc/68/80/54/985688054.db2.gz VJVKFEVWDKRXTF-PMVMPFDFSA-N 2 1 400.611 3.660 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000462746904 985688062 /nfs/dbraw/zinc/68/80/62/985688062.db2.gz VJVKFEVWDKRXTF-PMVMPFDFSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462748836 985689940 /nfs/dbraw/zinc/68/99/40/985689940.db2.gz FSVRESFFKVSXHG-UNMCSNQZSA-N 2 1 400.611 3.660 20 0 HHADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000462748609 985690063 /nfs/dbraw/zinc/69/00/63/985690063.db2.gz DQHHADQFIUWBCA-BJKOFHAPSA-N 2 1 412.622 3.949 20 0 HHADMP COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1C ZINC000443602986 985779580 /nfs/dbraw/zinc/77/95/80/985779580.db2.gz PZPBLHYUMIGXCP-GOSISDBHSA-N 2 1 403.567 3.577 20 0 HHADMP CN(C(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)c1nc2ccccc2s1 ZINC000443606872 985784660 /nfs/dbraw/zinc/78/46/60/985784660.db2.gz YLCHDRAEOJMRTB-UHFFFAOYSA-N 2 1 400.592 3.847 20 0 HHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000443645995 985837643 /nfs/dbraw/zinc/83/76/43/985837643.db2.gz CLJXEMCHVPQDHU-CYFREDJKSA-N 2 1 408.590 3.897 20 0 HHADMP CC[NH+](CC)CCCNC(=O)C1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000462927034 985862047 /nfs/dbraw/zinc/86/20/47/985862047.db2.gz GHOBZLMAMAQNOD-UHFFFAOYSA-N 2 1 402.970 3.953 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)c1ccc(Br)cc1OCCCO ZINC000462966285 985911761 /nfs/dbraw/zinc/91/17/61/985911761.db2.gz NIANAZASCHCMLM-PIKADFDJSA-N 2 1 411.384 3.734 20 0 HHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)CC1 ZINC000463026710 985985883 /nfs/dbraw/zinc/98/58/83/985985883.db2.gz BSGPBBOPBDCGSG-AREMUKBSSA-N 2 1 407.602 3.646 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463077164 986034764 /nfs/dbraw/zinc/03/47/64/986034764.db2.gz GQDMRIMMMKFFSA-WNOPAQSVSA-N 2 1 407.558 3.947 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463077164 986034774 /nfs/dbraw/zinc/03/47/74/986034774.db2.gz GQDMRIMMMKFFSA-WNOPAQSVSA-N 2 1 407.558 3.947 20 0 HHADMP C[C@@H]([NH2+]C1(CNC2CC[NH+](CCC(F)(F)F)CC2)CCOCC1)c1ccccc1 ZINC000463119768 986083971 /nfs/dbraw/zinc/08/39/71/986083971.db2.gz LTLNZKJOAAIWRN-GOSISDBHSA-N 2 1 413.528 3.893 20 0 HHADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCN(c4c(F)cccc4F)C3)CC2)cc1 ZINC000463203992 986175876 /nfs/dbraw/zinc/17/58/76/986175876.db2.gz HLUKNAXMUWSZEP-FQEVSTJZSA-N 2 1 403.492 3.979 20 0 HHADMP Cc1cccc(CC[C@@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)c1 ZINC000468510896 986211811 /nfs/dbraw/zinc/21/18/11/986211811.db2.gz ISBUJVIXJMPQGT-OAQYLSRUSA-N 2 1 409.574 3.767 20 0 HHADMP C[C@@H]1CCc2c(sc3nc(CC[N@H+](C)CC[C@@H]4CCCC[NH+]4C)nc(N)c23)C1 ZINC000444169447 986346026 /nfs/dbraw/zinc/34/60/26/986346026.db2.gz KFJJWEMLTNROPC-CVEARBPZSA-N 2 1 401.624 3.747 20 0 HHADMP C[C@@H]1CCc2c(sc3nc(CC[N@@H+](C)CC[C@@H]4CCCC[NH+]4C)nc(N)c23)C1 ZINC000444169447 986346032 /nfs/dbraw/zinc/34/60/32/986346032.db2.gz KFJJWEMLTNROPC-CVEARBPZSA-N 2 1 401.624 3.747 20 0 HHADMP C[C@@H]1CCc2c(sc3nc(CC[NH+](C)CC[C@@H]4CCCC[N@@H+]4C)nc(N)c23)C1 ZINC000444169447 986346039 /nfs/dbraw/zinc/34/60/39/986346039.db2.gz KFJJWEMLTNROPC-CVEARBPZSA-N 2 1 401.624 3.747 20 0 HHADMP C[C@@H]1CCc2c(sc3nc(CC[NH+](C)CC[C@@H]4CCCC[N@H+]4C)nc(N)c23)C1 ZINC000444169447 986346047 /nfs/dbraw/zinc/34/60/47/986346047.db2.gz KFJJWEMLTNROPC-CVEARBPZSA-N 2 1 401.624 3.747 20 0 HHADMP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000468686008 986398040 /nfs/dbraw/zinc/39/80/40/986398040.db2.gz BSUFWDJCKXMOSD-PXNSSMCTSA-N 2 1 412.981 3.845 20 0 HHADMP COc1cc(NC(=O)CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(OC)cc1Cl ZINC000444230283 986417928 /nfs/dbraw/zinc/41/79/28/986417928.db2.gz YXNXZHOVBJEDQQ-MRXNPFEDSA-N 2 1 409.958 3.636 20 0 HHADMP CC(C)c1[nH+]ccn1CCC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000468709277 986423737 /nfs/dbraw/zinc/42/37/37/986423737.db2.gz ZLBONFDRRKUVJL-UHFFFAOYSA-N 2 1 421.383 3.750 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000463618813 986594885 /nfs/dbraw/zinc/59/48/85/986594885.db2.gz QAXJJNSGFYMQBW-IBGZPJMESA-N 2 1 412.553 3.739 20 0 HHADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000468903762 986609966 /nfs/dbraw/zinc/60/99/66/986609966.db2.gz HXUJIDFBLPLQQQ-NVXWUHKLSA-N 2 1 411.456 3.770 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000468903762 986609970 /nfs/dbraw/zinc/60/99/70/986609970.db2.gz HXUJIDFBLPLQQQ-NVXWUHKLSA-N 2 1 411.456 3.770 20 0 HHADMP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000468990497 986696129 /nfs/dbraw/zinc/69/61/29/986696129.db2.gz NZHBTNWRNXCYFU-QGZVFWFLSA-N 2 1 412.603 3.854 20 0 HHADMP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000468990497 986696135 /nfs/dbraw/zinc/69/61/35/986696135.db2.gz NZHBTNWRNXCYFU-QGZVFWFLSA-N 2 1 412.603 3.854 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cc1 ZINC000444599648 986786247 /nfs/dbraw/zinc/78/62/47/986786247.db2.gz XCUXMGMUVYRACY-PGRDOPGGSA-N 2 1 405.546 3.714 20 0 HHADMP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)cc2)CC1 ZINC000469522180 987197808 /nfs/dbraw/zinc/19/78/08/987197808.db2.gz OSSKTXKJDNBDDQ-YADHBBJMSA-N 2 1 412.622 3.555 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(C)c1Br ZINC000469595255 987260460 /nfs/dbraw/zinc/26/04/60/987260460.db2.gz REULAPNIPJYHCK-INIZCTEOSA-N 2 1 411.388 3.637 20 0 HHADMP C[C@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000469744043 987394673 /nfs/dbraw/zinc/39/46/73/987394673.db2.gz ISLSLVDEFKAUGF-LSDHHAIUSA-N 2 1 403.477 3.588 20 0 HHADMP C[C@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000469744043 987394684 /nfs/dbraw/zinc/39/46/84/987394684.db2.gz ISLSLVDEFKAUGF-LSDHHAIUSA-N 2 1 403.477 3.588 20 0 HHADMP Cc1cc(NC(=O)C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)n(C(C)(C)C)n1 ZINC000469775291 987425001 /nfs/dbraw/zinc/42/50/01/987425001.db2.gz LAVCJISBGGBBLA-QZTJIDSGSA-N 2 1 411.594 3.631 20 0 HHADMP C[C@H]([NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000469776784 987426493 /nfs/dbraw/zinc/42/64/93/987426493.db2.gz SMDSYGRFOIENJT-PNLZDCPESA-N 2 1 405.533 3.698 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)[C@H](C)C1 ZINC000469789323 987434307 /nfs/dbraw/zinc/43/43/07/987434307.db2.gz XZMFWZQQKGUSAI-HOJAQTOUSA-N 2 1 407.986 3.562 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)[C@H](C)C1 ZINC000469789323 987434309 /nfs/dbraw/zinc/43/43/09/987434309.db2.gz XZMFWZQQKGUSAI-HOJAQTOUSA-N 2 1 407.986 3.562 20 0 HHADMP Nc1c(Br)cc(Br)cc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000470104421 988006958 /nfs/dbraw/zinc/00/69/58/988006958.db2.gz KSBZPSOGVPDHAG-UHFFFAOYSA-N 2 1 417.189 3.758 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)c1ccco1 ZINC000470154589 988064167 /nfs/dbraw/zinc/06/41/67/988064167.db2.gz IXSPWMQRYDEUAC-DLBZAZTESA-N 2 1 412.456 3.503 20 0 HHADMP C[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000463956191 988068217 /nfs/dbraw/zinc/06/82/17/988068217.db2.gz XQOXNINHYXFBQB-QUCCMNQESA-N 2 1 400.592 3.657 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)[C@@H]1c1cccs1 ZINC000463965945 988078464 /nfs/dbraw/zinc/07/84/64/988078464.db2.gz GDDMLHPIZHQLKB-LVCYWYKZSA-N 2 1 416.591 3.860 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000463965853 988079078 /nfs/dbraw/zinc/07/90/78/988079078.db2.gz BFDHCIPLMXUFGQ-UXHICEINSA-N 2 1 400.592 3.514 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000470189803 988107613 /nfs/dbraw/zinc/10/76/13/988107613.db2.gz YYJRYHDKKDOQEV-HKUYNNGSSA-N 2 1 412.500 3.624 20 0 HHADMP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000464326971 988461234 /nfs/dbraw/zinc/46/12/34/988461234.db2.gz YOCVQDCEFHAEMP-IFMALSPDSA-N 2 1 423.523 3.822 20 0 HHADMP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000464326971 988461247 /nfs/dbraw/zinc/46/12/47/988461247.db2.gz YOCVQDCEFHAEMP-IFMALSPDSA-N 2 1 423.523 3.822 20 0 HHADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000464326971 988461256 /nfs/dbraw/zinc/46/12/56/988461256.db2.gz YOCVQDCEFHAEMP-IFMALSPDSA-N 2 1 423.523 3.822 20 0 HHADMP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000464326973 988461743 /nfs/dbraw/zinc/46/17/43/988461743.db2.gz YOCVQDCEFHAEMP-RBBKRZOGSA-N 2 1 423.523 3.822 20 0 HHADMP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000464326973 988461750 /nfs/dbraw/zinc/46/17/50/988461750.db2.gz YOCVQDCEFHAEMP-RBBKRZOGSA-N 2 1 423.523 3.822 20 0 HHADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000464326973 988461757 /nfs/dbraw/zinc/46/17/57/988461757.db2.gz YOCVQDCEFHAEMP-RBBKRZOGSA-N 2 1 423.523 3.822 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000470551100 988562714 /nfs/dbraw/zinc/56/27/14/988562714.db2.gz IEDSCRDBHJZPNM-OAQYLSRUSA-N 2 1 400.526 3.841 20 0 HHADMP COc1ccccc1S(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000464494989 988667506 /nfs/dbraw/zinc/66/75/06/988667506.db2.gz BDTISVPFCQEWII-KRWDZBQOSA-N 2 1 413.543 3.704 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000464548606 988726573 /nfs/dbraw/zinc/72/65/73/988726573.db2.gz KVAHSBDFLLUOMW-TZIWHRDSSA-N 2 1 411.512 3.631 20 0 HHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000464548606 988726579 /nfs/dbraw/zinc/72/65/79/988726579.db2.gz KVAHSBDFLLUOMW-TZIWHRDSSA-N 2 1 411.512 3.631 20 0 HHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000464548606 988726586 /nfs/dbraw/zinc/72/65/86/988726586.db2.gz KVAHSBDFLLUOMW-TZIWHRDSSA-N 2 1 411.512 3.631 20 0 HHADMP CCC1(CC)C[N@@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CCS1 ZINC000464583953 988762279 /nfs/dbraw/zinc/76/22/79/988762279.db2.gz WFRYZDQKWCSWGP-UHFFFAOYSA-N 2 1 403.636 3.683 20 0 HHADMP CN(C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470746102 988785798 /nfs/dbraw/zinc/78/57/98/988785798.db2.gz NBRJZGGTDAKGQS-DNQXCXABSA-N 2 1 406.574 3.567 20 0 HHADMP CN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470746102 988785808 /nfs/dbraw/zinc/78/58/08/988785808.db2.gz NBRJZGGTDAKGQS-DNQXCXABSA-N 2 1 406.574 3.567 20 0 HHADMP CN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470746102 988785817 /nfs/dbraw/zinc/78/58/17/988785817.db2.gz NBRJZGGTDAKGQS-DNQXCXABSA-N 2 1 406.574 3.567 20 0 HHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000470752810 988794942 /nfs/dbraw/zinc/79/49/42/988794942.db2.gz BOMRCQRQXCTCRW-RDPSFJRHSA-N 2 1 412.622 3.934 20 0 HHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000470752810 988794950 /nfs/dbraw/zinc/79/49/50/988794950.db2.gz BOMRCQRQXCTCRW-RDPSFJRHSA-N 2 1 412.622 3.934 20 0 HHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000470752810 988794959 /nfs/dbraw/zinc/79/49/59/988794959.db2.gz BOMRCQRQXCTCRW-RDPSFJRHSA-N 2 1 412.622 3.934 20 0 HHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCOc2cccc(I)c2)C1 ZINC000464770625 988993794 /nfs/dbraw/zinc/99/37/94/988993794.db2.gz CGJPLNKHVPRPNP-INIZCTEOSA-N 2 1 416.347 3.724 20 0 HHADMP C[N@@H+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464845010 989094673 /nfs/dbraw/zinc/09/46/73/989094673.db2.gz CYGBOULSMOBEQE-PZJWPPBQSA-N 2 1 422.491 3.899 20 0 HHADMP C[NH+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464845010 989094681 /nfs/dbraw/zinc/09/46/81/989094681.db2.gz CYGBOULSMOBEQE-PZJWPPBQSA-N 2 1 422.491 3.899 20 0 HHADMP C[NH+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464845010 989094691 /nfs/dbraw/zinc/09/46/91/989094691.db2.gz CYGBOULSMOBEQE-PZJWPPBQSA-N 2 1 422.491 3.899 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000464945940 989238360 /nfs/dbraw/zinc/23/83/60/989238360.db2.gz VRFGXVWPYOPBAY-QHCPKHFHSA-N 2 1 400.611 3.840 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC[C@@H]3CC[NH+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000471273251 989423076 /nfs/dbraw/zinc/42/30/76/989423076.db2.gz OAMIRDZYIDOFTD-IMSXRSKXSA-N 2 1 421.585 3.548 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC[C@@H]3CC[NH+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000471273251 989423101 /nfs/dbraw/zinc/42/31/01/989423101.db2.gz OAMIRDZYIDOFTD-IMSXRSKXSA-N 2 1 421.585 3.548 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000471273251 989423116 /nfs/dbraw/zinc/42/31/16/989423116.db2.gz OAMIRDZYIDOFTD-IMSXRSKXSA-N 2 1 421.585 3.548 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000471273251 989423119 /nfs/dbraw/zinc/42/31/19/989423119.db2.gz OAMIRDZYIDOFTD-IMSXRSKXSA-N 2 1 421.585 3.548 20 0 HHADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000471296941 989457395 /nfs/dbraw/zinc/45/73/95/989457395.db2.gz IPMVNTXRPUDXAV-ISKFKSNPSA-N 2 1 409.549 3.819 20 0 HHADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000471296941 989457399 /nfs/dbraw/zinc/45/73/99/989457399.db2.gz IPMVNTXRPUDXAV-ISKFKSNPSA-N 2 1 409.549 3.819 20 0 HHADMP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000471296941 989457411 /nfs/dbraw/zinc/45/74/11/989457411.db2.gz IPMVNTXRPUDXAV-ISKFKSNPSA-N 2 1 409.549 3.819 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000471296941 989457417 /nfs/dbraw/zinc/45/74/17/989457417.db2.gz IPMVNTXRPUDXAV-ISKFKSNPSA-N 2 1 409.549 3.819 20 0 HHADMP O=C(CC[N@H+]1CCc2ccccc2C1)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000471373442 989549563 /nfs/dbraw/zinc/54/95/63/989549563.db2.gz NVUNCJZFXUWTSJ-QILAJZQNSA-N 2 1 403.570 3.747 20 0 HHADMP O=C(CC[NH+]1CCc2ccccc2C1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000471373442 989549572 /nfs/dbraw/zinc/54/95/72/989549572.db2.gz NVUNCJZFXUWTSJ-QILAJZQNSA-N 2 1 403.570 3.747 20 0 HHADMP O=C(CC[NH+]1CCc2ccccc2C1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000471373442 989549576 /nfs/dbraw/zinc/54/95/76/989549576.db2.gz NVUNCJZFXUWTSJ-QILAJZQNSA-N 2 1 403.570 3.747 20 0 HHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000471527099 989727087 /nfs/dbraw/zinc/72/70/87/989727087.db2.gz HWKMIAXYRIPKTH-PLQXJYEYSA-N 2 1 420.601 3.802 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H]1c1cccs1 ZINC000465431776 989777852 /nfs/dbraw/zinc/77/78/52/989777852.db2.gz KGUOZWHJAHROQH-SJBKTWHCSA-N 2 1 412.603 3.705 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1c1cccs1 ZINC000465431776 989777858 /nfs/dbraw/zinc/77/78/58/989777858.db2.gz KGUOZWHJAHROQH-SJBKTWHCSA-N 2 1 412.603 3.705 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1c1cccs1 ZINC000465431776 989777865 /nfs/dbraw/zinc/77/78/65/989777865.db2.gz KGUOZWHJAHROQH-SJBKTWHCSA-N 2 1 412.603 3.705 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cccc(F)c1 ZINC000465436234 989781328 /nfs/dbraw/zinc/78/13/28/989781328.db2.gz VDNNLCITTCDJBT-FBBABVLZSA-N 2 1 418.582 3.872 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000465437836 989783137 /nfs/dbraw/zinc/78/31/37/989783137.db2.gz HNAATCGNIXEMLS-ZCYQVOJMSA-N 2 1 420.601 3.987 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000471616074 989821114 /nfs/dbraw/zinc/82/11/14/989821114.db2.gz BJEDAHHZPVXTNA-FUPPJEDESA-N 2 1 400.611 3.566 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000471616074 989821130 /nfs/dbraw/zinc/82/11/30/989821130.db2.gz BJEDAHHZPVXTNA-FUPPJEDESA-N 2 1 400.611 3.566 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000471616074 989821143 /nfs/dbraw/zinc/82/11/43/989821143.db2.gz BJEDAHHZPVXTNA-FUPPJEDESA-N 2 1 400.611 3.566 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)c2)CC1 ZINC000471661975 989866335 /nfs/dbraw/zinc/86/63/35/989866335.db2.gz IPSYLKFDIQQPAB-QFIPXVFZSA-N 2 1 406.574 3.679 20 0 HHADMP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1 ZINC000465529128 989887551 /nfs/dbraw/zinc/88/75/51/989887551.db2.gz KTOBTHJRLLGQHC-YADHBBJMSA-N 2 1 416.610 3.564 20 0 HHADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000465528961 989887817 /nfs/dbraw/zinc/88/78/17/989887817.db2.gz UXCWELJHVWUBGE-RTWAWAEBSA-N 2 1 407.002 3.993 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000465542392 989905873 /nfs/dbraw/zinc/90/58/73/989905873.db2.gz KCZSRKAQMLNYOD-UNMCSNQZSA-N 2 1 414.619 3.904 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000465550356 989913341 /nfs/dbraw/zinc/91/33/41/989913341.db2.gz WZBXIAHLIGVPKU-PMACEKPBSA-N 2 1 411.594 3.949 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465593569 989971755 /nfs/dbraw/zinc/97/17/55/989971755.db2.gz GKWUPKNBIUOTSI-JTHBVZDNSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000465593569 989971767 /nfs/dbraw/zinc/97/17/67/989971767.db2.gz GKWUPKNBIUOTSI-JTHBVZDNSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000465593569 989971775 /nfs/dbraw/zinc/97/17/75/989971775.db2.gz GKWUPKNBIUOTSI-JTHBVZDNSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000465593677 989972761 /nfs/dbraw/zinc/97/27/61/989972761.db2.gz GUHFJLLCPHGERW-SFHLNBCPSA-N 2 1 406.640 3.942 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000465593677 989972772 /nfs/dbraw/zinc/97/27/72/989972772.db2.gz GUHFJLLCPHGERW-SFHLNBCPSA-N 2 1 406.640 3.942 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000465593677 989972779 /nfs/dbraw/zinc/97/27/79/989972779.db2.gz GUHFJLLCPHGERW-SFHLNBCPSA-N 2 1 406.640 3.942 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000465594589 989974985 /nfs/dbraw/zinc/97/49/85/989974985.db2.gz HNYIWYFDXGBOIL-VXKWHMMOSA-N 2 1 422.598 3.503 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000465594589 989974996 /nfs/dbraw/zinc/97/49/96/989974996.db2.gz HNYIWYFDXGBOIL-VXKWHMMOSA-N 2 1 422.598 3.503 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1 ZINC000465611555 989996699 /nfs/dbraw/zinc/99/66/99/989996699.db2.gz VPLDRZOSUHFDOU-FCHUYYIVSA-N 2 1 400.611 3.947 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000465611555 989996704 /nfs/dbraw/zinc/99/67/04/989996704.db2.gz VPLDRZOSUHFDOU-FCHUYYIVSA-N 2 1 400.611 3.947 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000465611555 989996708 /nfs/dbraw/zinc/99/67/08/989996708.db2.gz VPLDRZOSUHFDOU-FCHUYYIVSA-N 2 1 400.611 3.947 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000465630640 990017140 /nfs/dbraw/zinc/01/71/40/990017140.db2.gz JFJRPYJJDOWKHY-JOCHJYFZSA-N 2 1 400.611 3.805 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000465634740 990020929 /nfs/dbraw/zinc/02/09/29/990020929.db2.gz PMMRJIJMJDBKRG-RUZDIDTESA-N 2 1 420.601 3.946 20 0 HHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000471916570 990083446 /nfs/dbraw/zinc/08/34/46/990083446.db2.gz WYQPDPQAZRTXAE-RBBKRZOGSA-N 2 1 408.590 3.937 20 0 HHADMP C[C@@H]1CCC[C@](CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)([NH+](C)C)C1 ZINC000465704312 990090955 /nfs/dbraw/zinc/09/09/55/990090955.db2.gz GZZPFHUWBNERPK-DBQGFPOUSA-N 2 1 406.640 3.941 20 0 HHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465737789 990123338 /nfs/dbraw/zinc/12/33/38/990123338.db2.gz OIBZSXPSSFKXNJ-OQLXKQOESA-N 2 1 400.611 3.516 20 0 HHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000465737789 990123346 /nfs/dbraw/zinc/12/33/46/990123346.db2.gz OIBZSXPSSFKXNJ-OQLXKQOESA-N 2 1 400.611 3.516 20 0 HHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000465737789 990123353 /nfs/dbraw/zinc/12/33/53/990123353.db2.gz OIBZSXPSSFKXNJ-OQLXKQOESA-N 2 1 400.611 3.516 20 0 HHADMP C[N@@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCc3sccc3C2)[C@H]1c1cccs1 ZINC000465757219 990142437 /nfs/dbraw/zinc/14/24/37/990142437.db2.gz PMMCUENDNKLBAK-UZLBHIALSA-N 2 1 418.632 3.550 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCc3sccc3C2)[C@H]1c1cccs1 ZINC000465757219 990142442 /nfs/dbraw/zinc/14/24/42/990142442.db2.gz PMMCUENDNKLBAK-UZLBHIALSA-N 2 1 418.632 3.550 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)NCC[N@@H+]2CCc3sccc3C2)[C@H]1c1cccs1 ZINC000465757219 990142444 /nfs/dbraw/zinc/14/24/44/990142444.db2.gz PMMCUENDNKLBAK-UZLBHIALSA-N 2 1 418.632 3.550 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)NCC[N@H+]2CCc3sccc3C2)[C@H]1c1cccs1 ZINC000465757219 990142446 /nfs/dbraw/zinc/14/24/46/990142446.db2.gz PMMCUENDNKLBAK-UZLBHIALSA-N 2 1 418.632 3.550 20 0 HHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000465760139 990145606 /nfs/dbraw/zinc/14/56/06/990145606.db2.gz SNSSOKRQWYKMOF-QWFCFKBJSA-N 2 1 406.640 3.941 20 0 HHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000465760139 990145613 /nfs/dbraw/zinc/14/56/13/990145613.db2.gz SNSSOKRQWYKMOF-QWFCFKBJSA-N 2 1 406.640 3.941 20 0 HHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000465760139 990145617 /nfs/dbraw/zinc/14/56/17/990145617.db2.gz SNSSOKRQWYKMOF-QWFCFKBJSA-N 2 1 406.640 3.941 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cc(C)cc2c(C)c(C)[nH]c21 ZINC000465784732 990166978 /nfs/dbraw/zinc/16/69/78/990166978.db2.gz JGQAFAVEFYFLHD-OAQYLSRUSA-N 2 1 413.610 3.651 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000465824629 990208165 /nfs/dbraw/zinc/20/81/65/990208165.db2.gz ZXVRZLWRABWGIO-UPVQGACJSA-N 2 1 408.590 3.761 20 0 HHADMP Cc1ccc2[nH]c(C[NH2+]Cc3cccc(C[N@H+]4CCC[C@H](C(N)=O)C4)c3)cc2c1C ZINC000472046902 990214852 /nfs/dbraw/zinc/21/48/52/990214852.db2.gz HRDBHOKHDCWLKC-NRFANRHFSA-N 2 1 404.558 3.772 20 0 HHADMP CCN(CCC[NH+]1CCCC1)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000472059328 990222896 /nfs/dbraw/zinc/22/28/96/990222896.db2.gz USQOKSWSUPOSQS-FYYLOGMGSA-N 2 1 400.611 3.805 20 0 HHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465858558 990969407 /nfs/dbraw/zinc/96/94/07/990969407.db2.gz AOPPIDGMEUOAQS-PKTZIBPZSA-N 2 1 400.611 3.805 20 0 HHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000465858558 990969418 /nfs/dbraw/zinc/96/94/18/990969418.db2.gz AOPPIDGMEUOAQS-PKTZIBPZSA-N 2 1 400.611 3.805 20 0 HHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000465858558 990969432 /nfs/dbraw/zinc/96/94/32/990969432.db2.gz AOPPIDGMEUOAQS-PKTZIBPZSA-N 2 1 400.611 3.805 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000465866418 990977911 /nfs/dbraw/zinc/97/79/11/990977911.db2.gz WDSMPGJGBJXBDI-SJORKVTESA-N 2 1 409.644 3.559 20 0 HHADMP C[N@H+]1CCC[C@@H](CNC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@@H]1c1cccs1 ZINC000466078796 991253547 /nfs/dbraw/zinc/25/35/47/991253547.db2.gz OEQGDPXMERSYIM-GHTZIAJQSA-N 2 1 404.624 3.791 20 0 HHADMP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000466085935 991264447 /nfs/dbraw/zinc/26/44/47/991264447.db2.gz STOXPIUMCZQJLD-IFMALSPDSA-N 2 1 414.619 3.904 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000466091148 991270260 /nfs/dbraw/zinc/27/02/60/991270260.db2.gz IMERKRXEWNQSKX-UHFFFAOYSA-N 2 1 407.002 3.679 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000466091148 991270264 /nfs/dbraw/zinc/27/02/64/991270264.db2.gz IMERKRXEWNQSKX-UHFFFAOYSA-N 2 1 407.002 3.679 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000466092308 991271181 /nfs/dbraw/zinc/27/11/81/991271181.db2.gz LATYQVBTDLXZHY-HSZRJFAPSA-N 2 1 400.611 3.662 20 0 HHADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000466215525 991426810 /nfs/dbraw/zinc/42/68/10/991426810.db2.gz GJSHKGGAMBPOHR-KOSHJBKYSA-N 2 1 406.574 3.697 20 0 HHADMP C[C@H]1C[C@H](NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000466530740 991829083 /nfs/dbraw/zinc/82/90/83/991829083.db2.gz RRIJTJXXWDPZBD-URXFXBBRSA-N 2 1 420.601 3.955 20 0 HHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000466535602 991837267 /nfs/dbraw/zinc/83/72/67/991837267.db2.gz GSIPPHHJZFMKKV-GBXCKJPGSA-N 2 1 408.590 3.943 20 0 HHADMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000466723431 992034387 /nfs/dbraw/zinc/03/43/87/992034387.db2.gz UHIOYFUBHURUBQ-MRXNPFEDSA-N 2 1 415.500 3.855 20 0 HHADMP Cc1ccc(NC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000467468094 992760618 /nfs/dbraw/zinc/76/06/18/992760618.db2.gz QLLLDIWHNRNYLF-FPOVZHCZSA-N 2 1 410.562 3.720 20 0 HHADMP CSc1ccc([C@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)cc1 ZINC000467838856 993070280 /nfs/dbraw/zinc/07/02/80/993070280.db2.gz LFGCWCXLWHMYES-SFHVURJKSA-N 2 1 413.587 3.920 20 0 HHADMP Cc1ccc(OCc2nc(C[NH2+]C(C)(C)CCN3CC[NH+](C)CC3)cs2)cc1 ZINC000472141787 993196435 /nfs/dbraw/zinc/19/64/35/993196435.db2.gz HNKUDUFGWRYAMC-UHFFFAOYSA-N 2 1 402.608 3.536 20 0 HHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000480777331 993643004 /nfs/dbraw/zinc/64/30/04/993643004.db2.gz HSDHJDYPOSEAES-GHTZIAJQSA-N 3 1 412.544 3.537 20 0 HHADMP C[C@H]1CN(C)CC[C@H]1[NH2+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000480777331 993643017 /nfs/dbraw/zinc/64/30/17/993643017.db2.gz HSDHJDYPOSEAES-GHTZIAJQSA-N 2 1 412.544 3.537 20 0 HHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000480783053 993650718 /nfs/dbraw/zinc/65/07/18/993650718.db2.gz YJEOKFGLVDHRAB-ATIYNZHBSA-N 2 1 417.601 3.961 20 0 HHADMP Cc1c([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)nnn1-c1ccccc1 ZINC000480792401 993661180 /nfs/dbraw/zinc/66/11/80/993661180.db2.gz BHRQBDPJGLQTOX-HYBUGGRVSA-N 2 1 418.589 3.605 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccc2c(c1)CCC2 ZINC000480906342 993762293 /nfs/dbraw/zinc/76/22/93/993762293.db2.gz IEVQZVWTAFOLNM-LJQANCHMSA-N 2 1 407.558 3.687 20 0 HHADMP Cc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)N2CCOCC2)cc1 ZINC000480906483 993762781 /nfs/dbraw/zinc/76/27/81/993762781.db2.gz BMDVODFWANFAOQ-RZFJZAQRSA-N 2 1 407.602 3.869 20 0 HHADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]3CCOCC3)c1)CCC2 ZINC000480909044 993764962 /nfs/dbraw/zinc/76/49/62/993764962.db2.gz GXYUTQVLUXOVRH-DEOSSOPVSA-N 2 1 423.557 3.523 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)NCC[C@H](C)[N@H+](C)Cc3ccccc3)CC2)[nH+]1 ZINC000472996916 993925760 /nfs/dbraw/zinc/92/57/60/993925760.db2.gz DAPQFZYECGFTMU-FQEVSTJZSA-N 2 1 409.578 3.569 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)NCC[C@H](C)[N@@H+](C)Cc3ccccc3)CC2)[nH+]1 ZINC000472996916 993925769 /nfs/dbraw/zinc/92/57/69/993925769.db2.gz DAPQFZYECGFTMU-FQEVSTJZSA-N 2 1 409.578 3.569 20 0 HHADMP CCCOc1ccc(CNC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481168237 993999647 /nfs/dbraw/zinc/99/96/47/993999647.db2.gz DDIKDMUIGWQYEZ-GBXCKJPGSA-N 2 1 409.574 3.592 20 0 HHADMP CCCOc1ccc(CNC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481168237 993999656 /nfs/dbraw/zinc/99/96/56/993999656.db2.gz DDIKDMUIGWQYEZ-GBXCKJPGSA-N 2 1 409.574 3.592 20 0 HHADMP CC(C)Oc1ccc(CCNC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481186321 994018353 /nfs/dbraw/zinc/01/83/53/994018353.db2.gz XURPMCXJMVLQPN-BWKNWUBXSA-N 2 1 423.601 3.633 20 0 HHADMP CC(C)Oc1ccc(CCNC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481186321 994018369 /nfs/dbraw/zinc/01/83/69/994018369.db2.gz XURPMCXJMVLQPN-BWKNWUBXSA-N 2 1 423.601 3.633 20 0 HHADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481188137 994020169 /nfs/dbraw/zinc/02/01/69/994020169.db2.gz HKMUWUFPZVYELM-PNCHPQGNSA-N 2 1 415.528 3.512 20 0 HHADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481188137 994020179 /nfs/dbraw/zinc/02/01/79/994020179.db2.gz HKMUWUFPZVYELM-PNCHPQGNSA-N 2 1 415.528 3.512 20 0 HHADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(S(=O)(=O)NC3CCCCCC3)c2)C1 ZINC000481318325 994137842 /nfs/dbraw/zinc/13/78/42/994137842.db2.gz KBMSJKTXWQBBKU-RTBURBONSA-N 2 1 407.624 3.680 20 0 HHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(S(=O)(=O)NC3CCCCCC3)c2)C1 ZINC000481318325 994137851 /nfs/dbraw/zinc/13/78/51/994137851.db2.gz KBMSJKTXWQBBKU-RTBURBONSA-N 2 1 407.624 3.680 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000481535556 994365893 /nfs/dbraw/zinc/36/58/93/994365893.db2.gz QGIYVQBRNGCEGK-RTWAWAEBSA-N 3 1 411.590 3.699 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000481535556 994365901 /nfs/dbraw/zinc/36/59/01/994365901.db2.gz QGIYVQBRNGCEGK-RTWAWAEBSA-N 3 1 411.590 3.699 20 0 HHADMP COc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc(OC)c1OC ZINC000481546380 994378907 /nfs/dbraw/zinc/37/89/07/994378907.db2.gz PPFFDXPBAFDNQP-ZWKOTPCHSA-N 2 1 414.546 3.784 20 0 HHADMP COc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc(OC)c1OC ZINC000481546380 994378914 /nfs/dbraw/zinc/37/89/14/994378914.db2.gz PPFFDXPBAFDNQP-ZWKOTPCHSA-N 2 1 414.546 3.784 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC000481686194 994546866 /nfs/dbraw/zinc/54/68/66/994546866.db2.gz OGUFEHRCIIDBQI-QPPBQGQZSA-N 2 1 408.590 3.861 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)CC1 ZINC000473805163 994731392 /nfs/dbraw/zinc/73/13/92/994731392.db2.gz HXXCCQIZYNDSCF-UHFFFAOYSA-N 2 1 415.626 3.804 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@@H]3CCC[N@H+]3Cc3ccccc3)c2)CC1 ZINC000473835301 994769099 /nfs/dbraw/zinc/76/90/99/994769099.db2.gz JZEOZHJNRCTYRM-DEOSSOPVSA-N 2 1 421.589 3.615 20 0 HHADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481920950 994792982 /nfs/dbraw/zinc/79/29/82/994792982.db2.gz KMTAZIBDTPSPHV-FQEVSTJZSA-N 2 1 424.010 3.941 20 0 HHADMP CC[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481934039 994806053 /nfs/dbraw/zinc/80/60/53/994806053.db2.gz QLIXMWDZNHXCFE-MRXNPFEDSA-N 2 1 402.004 3.598 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cc2cccc(F)c2o1 ZINC000473870860 994811439 /nfs/dbraw/zinc/81/14/39/994811439.db2.gz FIKXQVCUDQAOTP-AEFFLSMTSA-N 2 1 404.530 3.690 20 0 HHADMP CCN(C(=O)NC1CC[NH+](CC(C)C)CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473875472 994819613 /nfs/dbraw/zinc/81/96/13/994819613.db2.gz NQMMYUMBTFMZGI-OFNKIYASSA-N 2 1 400.611 3.974 20 0 HHADMP Cc1ccc(NCCCNC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)[nH+]c1 ZINC000473953453 994931571 /nfs/dbraw/zinc/93/15/71/994931571.db2.gz UHLRNAGKCJUGKB-NPHXMPSESA-N 2 1 409.578 3.648 20 0 HHADMP Cc1ccc(NCCCNC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)[nH+]c1 ZINC000473953453 994931585 /nfs/dbraw/zinc/93/15/85/994931585.db2.gz UHLRNAGKCJUGKB-NPHXMPSESA-N 2 1 409.578 3.648 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)N(CC)[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000474004302 994994062 /nfs/dbraw/zinc/99/40/62/994994062.db2.gz DWQSMMCUOXEMAB-OFNKIYASSA-N 2 1 400.611 3.975 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)[C@@H](C)C1 ZINC000482113776 995061011 /nfs/dbraw/zinc/06/10/11/995061011.db2.gz ZDPWPNAUSQCHQU-WMZHIEFXSA-N 2 1 410.562 3.561 20 0 HHADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)ccc1S(C)(=O)=O ZINC000482120330 995067670 /nfs/dbraw/zinc/06/76/70/995067670.db2.gz AUTPHWDOUVLRRY-SJORKVTESA-N 2 1 422.616 3.723 20 0 HHADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1S(C)(=O)=O ZINC000482120330 995067684 /nfs/dbraw/zinc/06/76/84/995067684.db2.gz AUTPHWDOUVLRRY-SJORKVTESA-N 2 1 422.616 3.723 20 0 HHADMP COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+]CCn3cc[nH+]c3C)s2)cc1OC ZINC000482131672 995081138 /nfs/dbraw/zinc/08/11/38/995081138.db2.gz XVCLEVODVFDOFZ-CQSZACIVSA-N 2 1 400.548 3.915 20 0 HHADMP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000482293375 995272473 /nfs/dbraw/zinc/27/24/73/995272473.db2.gz RYMRGKNNCWDGQS-RPBOFIJWSA-N 2 1 420.601 3.944 20 0 HHADMP C[NH+](C)CCc1ccccc1NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000482368922 995351173 /nfs/dbraw/zinc/35/11/73/995351173.db2.gz UPHIMXPTMNXNGC-RUZDIDTESA-N 2 1 406.574 3.921 20 0 HHADMP C[C@H](NC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000474429368 995392106 /nfs/dbraw/zinc/39/21/06/995392106.db2.gz FWMLGLZRMLDXKM-YDHSSHFGSA-N 2 1 410.562 3.893 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c(F)ccc(I)c1F ZINC000474469453 995431216 /nfs/dbraw/zinc/43/12/16/995431216.db2.gz HGECCJKSRIMKJY-SNVBAGLBSA-N 2 1 405.230 3.500 20 0 HHADMP COC(=O)c1ccccc1-c1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)o1 ZINC000482514862 995524287 /nfs/dbraw/zinc/52/42/87/995524287.db2.gz ARZVPXWMSPBJNB-FQEVSTJZSA-N 2 1 420.509 3.590 20 0 HHADMP COC(=O)c1ccccc1-c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)o1 ZINC000482514862 995524297 /nfs/dbraw/zinc/52/42/97/995524297.db2.gz ARZVPXWMSPBJNB-FQEVSTJZSA-N 2 1 420.509 3.590 20 0 HHADMP O=C([C@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC([NH+]2CCc3ccccc3C2)CC1 ZINC000474570007 995532606 /nfs/dbraw/zinc/53/26/06/995532606.db2.gz JEQVQHKOXHFGOA-RUZDIDTESA-N 2 1 421.560 3.839 20 0 HHADMP O=C([C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC([NH+]2CCc3ccccc3C2)CC1 ZINC000474570007 995532611 /nfs/dbraw/zinc/53/26/11/995532611.db2.gz JEQVQHKOXHFGOA-RUZDIDTESA-N 2 1 421.560 3.839 20 0 HHADMP O=C([C@H]1CCC[NH+]1Cc1ccc(F)cc1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000474570007 995532622 /nfs/dbraw/zinc/53/26/22/995532622.db2.gz JEQVQHKOXHFGOA-RUZDIDTESA-N 2 1 421.560 3.839 20 0 HHADMP O=C([C@H]1CCC[NH+]1Cc1ccc(F)cc1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000474570007 995532634 /nfs/dbraw/zinc/53/26/34/995532634.db2.gz JEQVQHKOXHFGOA-RUZDIDTESA-N 2 1 421.560 3.839 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](CCCN[C@@H](Cc2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000482528844 995537520 /nfs/dbraw/zinc/53/75/20/995537520.db2.gz AGTVPTJRBUHKHQ-AVRDEDQJSA-N 2 1 417.956 3.940 20 0 HHADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000482528844 995537527 /nfs/dbraw/zinc/53/75/27/995537527.db2.gz AGTVPTJRBUHKHQ-AVRDEDQJSA-N 2 1 417.956 3.940 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000482528844 995537534 /nfs/dbraw/zinc/53/75/34/995537534.db2.gz AGTVPTJRBUHKHQ-AVRDEDQJSA-N 2 1 417.956 3.940 20 0 HHADMP C[C@H](c1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000474624159 995572838 /nfs/dbraw/zinc/57/28/38/995572838.db2.gz VAULOIHSAVTYBA-HYBUGGRVSA-N 2 1 422.573 3.818 20 0 HHADMP C[C@H](c1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000474624159 995572845 /nfs/dbraw/zinc/57/28/45/995572845.db2.gz VAULOIHSAVTYBA-HYBUGGRVSA-N 2 1 422.573 3.818 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000482584432 995586659 /nfs/dbraw/zinc/58/66/59/995586659.db2.gz WGDFLWAVUZXJIK-DNQXCXABSA-N 2 1 412.622 3.805 20 0 HHADMP COC1CC[NH+](C2(CN[C@H](C)c3ccc(OCC[NH+](C)C)cc3)CCCC2)CC1 ZINC000482628431 995622879 /nfs/dbraw/zinc/62/28/79/995622879.db2.gz IMYMXBIJIFFNAU-HXUWFJFHSA-N 2 1 403.611 3.701 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(OC(F)F)c1 ZINC000482647412 995642300 /nfs/dbraw/zinc/64/23/00/995642300.db2.gz AYUHKLAAYFGZAI-JXFKEZNVSA-N 2 1 417.500 3.836 20 0 HHADMP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1NC(C)=O ZINC000482872346 995806544 /nfs/dbraw/zinc/80/65/44/995806544.db2.gz CAKOSDJWCCTYHZ-MRXNPFEDSA-N 2 1 414.550 3.821 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3Br)C2)[C@H](C)C1 ZINC000482878564 995812099 /nfs/dbraw/zinc/81/20/99/995812099.db2.gz UZQAYKPECRAALW-GGPKGHCWSA-N 2 1 424.427 3.754 20 0 HHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000482882331 995814914 /nfs/dbraw/zinc/81/49/14/995814914.db2.gz AJYIPJLBYHXXLF-HSZRJFAPSA-N 2 1 415.528 3.781 20 0 HHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc(-n4cncn4)cc3)CC2)cs1 ZINC000482888659 995820143 /nfs/dbraw/zinc/82/01/43/995820143.db2.gz NHZXRVHWDGOBPP-KRWDZBQOSA-N 2 1 410.591 3.849 20 0 HHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cccc(N4CCOCC4)c3)CC2)oc1C ZINC000482897850 995826618 /nfs/dbraw/zinc/82/66/18/995826618.db2.gz WBZDCFDSFPZJGB-IBGZPJMESA-N 2 1 412.578 3.691 20 0 HHADMP CC1CC[NH+](CC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000475050301 995891664 /nfs/dbraw/zinc/89/16/64/995891664.db2.gz VARZNOKRQIAYDB-NQIIRXRSSA-N 2 1 411.512 3.936 20 0 HHADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475117554 995933243 /nfs/dbraw/zinc/93/32/43/995933243.db2.gz HJUIGOCAJLCWDK-DHLKQENFSA-N 2 1 410.606 3.701 20 0 HHADMP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475117554 995933245 /nfs/dbraw/zinc/93/32/45/995933245.db2.gz HJUIGOCAJLCWDK-DHLKQENFSA-N 2 1 410.606 3.701 20 0 HHADMP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475117554 995933251 /nfs/dbraw/zinc/93/32/51/995933251.db2.gz HJUIGOCAJLCWDK-DHLKQENFSA-N 2 1 410.606 3.701 20 0 HHADMP CC[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000475138408 995947544 /nfs/dbraw/zinc/94/75/44/995947544.db2.gz KQSNZQKETFPKCI-QHCPKHFHSA-N 2 1 412.622 3.920 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000475145258 995952582 /nfs/dbraw/zinc/95/25/82/995952582.db2.gz KMPYXRYGGZWBIX-FUPPJEDESA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000475145258 995952587 /nfs/dbraw/zinc/95/25/87/995952587.db2.gz KMPYXRYGGZWBIX-FUPPJEDESA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000475145258 995952593 /nfs/dbraw/zinc/95/25/93/995952593.db2.gz KMPYXRYGGZWBIX-FUPPJEDESA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C(=O)NC[C@H]1CCC[NH+](CC(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475165244 995964922 /nfs/dbraw/zinc/96/49/22/995964922.db2.gz RBKFCPYAKGNJDD-PKTZIBPZSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475165244 995964928 /nfs/dbraw/zinc/96/49/28/995964928.db2.gz RBKFCPYAKGNJDD-PKTZIBPZSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475165244 995964933 /nfs/dbraw/zinc/96/49/33/995964933.db2.gz RBKFCPYAKGNJDD-PKTZIBPZSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475175424 995972387 /nfs/dbraw/zinc/97/23/87/995972387.db2.gz XYBBPTXNTBINFA-RTWAWAEBSA-N 2 1 400.592 3.657 20 0 HHADMP CCN(C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475175421 995972547 /nfs/dbraw/zinc/97/25/47/995972547.db2.gz XYBBPTXNTBINFA-LEWJYISDSA-N 2 1 400.592 3.657 20 0 HHADMP CCN(C(=O)NCCCC[NH+]1CCCC[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475177584 995974438 /nfs/dbraw/zinc/97/44/38/995974438.db2.gz ZHPSMHQFLDZSEB-JTHBVZDNSA-N 2 1 400.611 3.947 20 0 HHADMP CCN(C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475177584 995974448 /nfs/dbraw/zinc/97/44/48/995974448.db2.gz ZHPSMHQFLDZSEB-JTHBVZDNSA-N 2 1 400.611 3.947 20 0 HHADMP CCN(C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475177584 995974452 /nfs/dbraw/zinc/97/44/52/995974452.db2.gz ZHPSMHQFLDZSEB-JTHBVZDNSA-N 2 1 400.611 3.947 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000483139215 995998025 /nfs/dbraw/zinc/99/80/25/995998025.db2.gz XGHJKNPOJHYBFP-ROUUACIJSA-N 2 1 401.576 3.934 20 0 HHADMP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475278686 996041411 /nfs/dbraw/zinc/04/14/11/996041411.db2.gz JJJPVMNBOFWTDD-IFMALSPDSA-N 2 1 419.569 3.953 20 0 HHADMP C[C@H](CC[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)OCc1ccccc1 ZINC000475315568 996065003 /nfs/dbraw/zinc/06/50/03/996065003.db2.gz AMKUZOMHCCYXHI-YPAWHYETSA-N 2 1 404.595 3.572 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)C[C@@H]1C ZINC000483526932 996233658 /nfs/dbraw/zinc/23/36/58/996233658.db2.gz BGVGGBODMNSYOA-RRPUWOKSSA-N 2 1 416.610 3.736 20 0 HHADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000483620964 996290791 /nfs/dbraw/zinc/29/07/91/996290791.db2.gz HCHGOGVVLCKXGW-FUPPJEDESA-N 2 1 400.611 3.945 20 0 HHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cccc(NS(C)(=O)=O)c1 ZINC000483741201 996359768 /nfs/dbraw/zinc/35/97/68/996359768.db2.gz HHXOIQXYPFXOEQ-KNBMTAEXSA-N 2 1 407.605 3.853 20 0 HHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cccc(NS(C)(=O)=O)c1 ZINC000483741201 996359772 /nfs/dbraw/zinc/35/97/72/996359772.db2.gz HHXOIQXYPFXOEQ-KNBMTAEXSA-N 2 1 407.605 3.853 20 0 HHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475891527 996448759 /nfs/dbraw/zinc/44/87/59/996448759.db2.gz JLVDUBGYHNFVRZ-RDPSFJRHSA-N 2 1 409.578 3.525 20 0 HHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475891527 996448761 /nfs/dbraw/zinc/44/87/61/996448761.db2.gz JLVDUBGYHNFVRZ-RDPSFJRHSA-N 2 1 409.578 3.525 20 0 HHADMP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000483921764 996470280 /nfs/dbraw/zinc/47/02/80/996470280.db2.gz BYZUHPGPLFPTED-DENIHFKCSA-N 2 1 402.583 3.712 20 0 HHADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000483921764 996470290 /nfs/dbraw/zinc/47/02/90/996470290.db2.gz BYZUHPGPLFPTED-DENIHFKCSA-N 2 1 402.583 3.712 20 0 HHADMP C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000483982760 996505024 /nfs/dbraw/zinc/50/50/24/996505024.db2.gz VQUPAVWYHORLGT-QPPBQGQZSA-N 2 1 420.601 3.992 20 0 HHADMP C[C@H]([NH2+]C1(CNC2CC[NH+](Cc3cccnc3)CC2)CCOCC1)c1ccccc1 ZINC000484128323 996585550 /nfs/dbraw/zinc/58/55/50/996585550.db2.gz KEIGIINMRPJXDP-NRFANRHFSA-N 2 1 408.590 3.536 20 0 HHADMP O[C@@]1(C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000484130118 996587274 /nfs/dbraw/zinc/58/72/74/996587274.db2.gz DPLCIBLRSJJGJZ-NHCUHLMSSA-N 2 1 406.448 3.799 20 0 HHADMP O[C@@]1(C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000484130118 996587279 /nfs/dbraw/zinc/58/72/79/996587279.db2.gz DPLCIBLRSJJGJZ-NHCUHLMSSA-N 2 1 406.448 3.799 20 0 HHADMP C[C@@H]([NH2+]C1(CNC2CC[NH+](Cc3ccccn3)CC2)CCOCC1)c1ccccc1 ZINC000484149352 996600528 /nfs/dbraw/zinc/60/05/28/996600528.db2.gz WTBUNIWSTQAJCH-OAQYLSRUSA-N 2 1 408.590 3.536 20 0 HHADMP CN(C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000476137853 996627130 /nfs/dbraw/zinc/62/71/30/996627130.db2.gz GHNDEHLMDWXOIS-FQEVSTJZSA-N 2 1 424.511 3.548 20 0 HHADMP CN(C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000476137853 996627133 /nfs/dbraw/zinc/62/71/33/996627133.db2.gz GHNDEHLMDWXOIS-FQEVSTJZSA-N 2 1 424.511 3.548 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccccc2Br)[C@H](C)C1 ZINC000484488271 996810006 /nfs/dbraw/zinc/81/00/06/996810006.db2.gz UVZDEAJGKWNMBO-LMMKCTJWSA-N 2 1 413.400 3.943 20 0 HHADMP CC[NH+](CC)CCOc1cc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)ccc1OC ZINC000476807825 997360828 /nfs/dbraw/zinc/36/08/28/997360828.db2.gz NZFIPLAVUXPTBJ-ICSRJNTNSA-N 2 1 420.598 3.610 20 0 HHADMP COc1ccc(CN(C)C(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000476970549 997588897 /nfs/dbraw/zinc/58/88/97/997588897.db2.gz IDMWKYCPJJDQQX-HXUWFJFHSA-N 2 1 401.595 3.630 20 0 HHADMP COc1cccc(CN(C)C(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000476989483 997615734 /nfs/dbraw/zinc/61/57/34/997615734.db2.gz YIKLUZJYIPJNAM-HXUWFJFHSA-N 2 1 401.595 3.630 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477029984 997661927 /nfs/dbraw/zinc/66/19/27/997661927.db2.gz UVCJNNBNFQYANB-TYCQWZJGSA-N 2 1 407.961 3.995 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477029984 997661936 /nfs/dbraw/zinc/66/19/36/997661936.db2.gz UVCJNNBNFQYANB-TYCQWZJGSA-N 2 1 407.961 3.995 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477029984 997661944 /nfs/dbraw/zinc/66/19/44/997661944.db2.gz UVCJNNBNFQYANB-TYCQWZJGSA-N 2 1 407.961 3.995 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)NCc3ccccc3C[N@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC000485294958 997698426 /nfs/dbraw/zinc/69/84/26/997698426.db2.gz BICOFERIICFYEH-OAQYLSRUSA-N 2 1 421.589 3.654 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)NCc3ccccc3C[N@@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC000485294958 997698430 /nfs/dbraw/zinc/69/84/30/997698430.db2.gz BICOFERIICFYEH-OAQYLSRUSA-N 2 1 421.589 3.654 20 0 HHADMP C[NH+](C)Cc1cc(CNC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)ccc1F ZINC000477065579 997711322 /nfs/dbraw/zinc/71/13/22/997711322.db2.gz XNVVWCCKRHTCDB-HSZRJFAPSA-N 2 1 412.553 3.597 20 0 HHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000485391692 997819964 /nfs/dbraw/zinc/81/99/64/997819964.db2.gz CTGQYPQIGBEQBL-DEOSSOPVSA-N 2 1 414.638 3.705 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)o1 ZINC000477313501 998001506 /nfs/dbraw/zinc/00/15/06/998001506.db2.gz GEFBDCHXRZHJSQ-NOTZXAQLSA-N 2 1 424.589 3.857 20 0 HHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000477523263 998243293 /nfs/dbraw/zinc/24/32/93/998243293.db2.gz JUYOEAPSNFLXSL-IBGZPJMESA-N 2 1 415.603 3.601 20 0 HHADMP CCOCCC1(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCCC1 ZINC000477752936 998498516 /nfs/dbraw/zinc/49/85/16/998498516.db2.gz YMVPHRRBVAXUTD-UHFFFAOYSA-N 2 1 407.643 3.628 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1cccs1 ZINC000486111582 998558745 /nfs/dbraw/zinc/55/87/45/998558745.db2.gz RSJFWCVVKHAISS-WIYYLYMNSA-N 2 1 404.624 3.791 20 0 HHADMP C[C@H](NC(=O)NCCCC[N@H+]1CCCC[C@H]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486255348 998678556 /nfs/dbraw/zinc/67/85/56/998678556.db2.gz VDROZJUWGZTSDG-FUPPJEDESA-N 2 1 400.611 3.851 20 0 HHADMP C[C@H](NC(=O)NCCCC[NH+]1CCCC[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486255348 998678561 /nfs/dbraw/zinc/67/85/61/998678561.db2.gz VDROZJUWGZTSDG-FUPPJEDESA-N 2 1 400.611 3.851 20 0 HHADMP C[C@H](NC(=O)NCCCC[NH+]1CCCC[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486255348 998678566 /nfs/dbraw/zinc/67/85/66/998678566.db2.gz VDROZJUWGZTSDG-FUPPJEDESA-N 2 1 400.611 3.851 20 0 HHADMP C[NH+]1CCC(CC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000486400022 998748596 /nfs/dbraw/zinc/74/85/96/998748596.db2.gz CYYNJHYJDGFUSF-NQIIRXRSSA-N 2 1 411.512 3.936 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000486477929 998787485 /nfs/dbraw/zinc/78/74/85/998787485.db2.gz PQVXDSTYBYZFBV-PUHATCMVSA-N 2 1 424.589 3.935 20 0 HHADMP CC(=O)c1cc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1F ZINC000486892115 998994304 /nfs/dbraw/zinc/99/43/04/998994304.db2.gz GESPMZFDHAJPPT-UHFFFAOYSA-N 2 1 418.557 3.688 20 0 HHADMP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000478791384 999142659 /nfs/dbraw/zinc/14/26/59/999142659.db2.gz DJGSAJDEQWJWAT-NZQKXSOJSA-N 2 1 424.589 3.604 20 0 HHADMP NC(=O)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(Br)c1 ZINC000478975221 999230486 /nfs/dbraw/zinc/23/04/86/999230486.db2.gz GTVKYWWXJMXEDR-FQEVSTJZSA-N 2 1 416.363 3.751 20 0 HHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000479049642 999267159 /nfs/dbraw/zinc/26/71/59/999267159.db2.gz BDEGVPUQHRZMRE-LJQANCHMSA-N 2 1 422.411 3.704 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000479053846 999269985 /nfs/dbraw/zinc/26/99/85/999269985.db2.gz COTLVHHXYRHBLW-GOSISDBHSA-N 2 1 403.592 3.642 20 0 HHADMP CC(C)(CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000479073367 999280776 /nfs/dbraw/zinc/28/07/76/999280776.db2.gz XUFUTZMPOHJVQL-PKTZIBPZSA-N 2 1 412.622 3.805 20 0 HHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](C)c3cccc(Cl)c3)CC2)cc1 ZINC000487943650 999324200 /nfs/dbraw/zinc/32/42/00/999324200.db2.gz IRUGICKGFIEDMV-GOSISDBHSA-N 2 1 415.965 3.734 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](C)c3cccc(Cl)c3)CC2)cc1 ZINC000487943650 999324205 /nfs/dbraw/zinc/32/42/05/999324205.db2.gz IRUGICKGFIEDMV-GOSISDBHSA-N 2 1 415.965 3.734 20 0 HHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000479276996 999360737 /nfs/dbraw/zinc/36/07/37/999360737.db2.gz CBMOHFFPQRTOFF-ZNLUXHQJSA-N 2 1 417.391 3.853 20 0 HHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000479276996 999360744 /nfs/dbraw/zinc/36/07/44/999360744.db2.gz CBMOHFFPQRTOFF-ZNLUXHQJSA-N 2 1 417.391 3.853 20 0 HHADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)C1 ZINC000479307544 999376640 /nfs/dbraw/zinc/37/66/40/999376640.db2.gz NNSJBHKHSIGTPJ-JSFDBMSQSA-N 2 1 412.622 3.931 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 ZINC000479325615 999385879 /nfs/dbraw/zinc/38/58/79/999385879.db2.gz WEPWOQCNOPETOU-FQEVSTJZSA-N 2 1 413.566 3.838 20 0 HHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479438984 999417617 /nfs/dbraw/zinc/41/76/17/999417617.db2.gz PIHZHTWHBWSRBI-NOZRDPDXSA-N 2 1 416.569 3.996 20 0 HHADMP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000479461066 999427510 /nfs/dbraw/zinc/42/75/10/999427510.db2.gz BESVVLJZTVNNRF-UYAOXDASSA-N 2 1 401.576 3.621 20 0 HHADMP COc1cccc([C@@H]2[C@@H](NC(=O)NC[C@H](c3ccccc3)[NH+](C)C)CC[N@H+]2C2CC2)c1 ZINC000488334724 999445559 /nfs/dbraw/zinc/44/55/59/999445559.db2.gz XDAMRRVXXOAWBD-RBZQAINGSA-N 2 1 422.573 3.575 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CC1CC(OC(C)(C)C)C1 ZINC000488746666 999595722 /nfs/dbraw/zinc/59/57/22/999595722.db2.gz HHQLXDZKVAUZIV-UHFFFAOYSA-N 2 1 407.643 3.625 20 0 HHADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000479888718 999637457 /nfs/dbraw/zinc/63/74/57/999637457.db2.gz PJKIWKPDJNJRTF-LJQANCHMSA-N 2 1 410.562 3.900 20 0 HHADMP COc1cc2c(NC3CC[NH+](CC(=O)Nc4ccccc4)CC3)cc[nH+]c2cc1F ZINC000479907328 999644129 /nfs/dbraw/zinc/64/41/29/999644129.db2.gz BWJIBJGVPCIWCZ-UHFFFAOYSA-N 2 1 408.477 3.898 20 0 HHADMP CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(S(=O)(=O)NC3CCCCCC3)c2)CC1 ZINC000480013885 999686613 /nfs/dbraw/zinc/68/66/13/999686613.db2.gz CWMUXHJIDLJNGB-SFHVURJKSA-N 2 1 407.624 3.823 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)[NH+]2CCCC2)o1 ZINC000489140513 999710432 /nfs/dbraw/zinc/71/04/32/999710432.db2.gz PODMZCDOARQAQW-PMOQBDJRSA-N 2 1 424.589 3.935 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCc1ccc(C2CC2)cc1 ZINC000480094413 999715548 /nfs/dbraw/zinc/71/55/48/999715548.db2.gz RDMAJGZKEKWGEW-UHFFFAOYSA-N 2 1 412.622 3.902 20 0 HHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccco1 ZINC000489229495 999726791 /nfs/dbraw/zinc/72/67/91/999726791.db2.gz YFGKMIRTNGDBOP-CMKODMSKSA-N 2 1 418.607 3.982 20 0 HHADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)C[C@@H](C)C1 ZINC000489410740 999761112 /nfs/dbraw/zinc/76/11/12/999761112.db2.gz ZPKLXPWMCWEFKY-XQPJFTJZSA-N 2 1 404.624 3.503 20 0 HHADMP C[C@@H]1C[C@H]1[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C[C@@H](C)C1 ZINC000489410740 999761114 /nfs/dbraw/zinc/76/11/14/999761114.db2.gz ZPKLXPWMCWEFKY-XQPJFTJZSA-N 2 1 404.624 3.503 20 0 HHADMP C[C@@H]1C[C@H]1[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C[C@@H](C)C1 ZINC000489410740 999761116 /nfs/dbraw/zinc/76/11/16/999761116.db2.gz ZPKLXPWMCWEFKY-XQPJFTJZSA-N 2 1 404.624 3.503 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000489433180 999766420 /nfs/dbraw/zinc/76/64/20/999766420.db2.gz UYUZVCZLBIOIJN-BAGYTPMASA-N 2 1 412.578 3.872 20 0 HHADMP COc1cccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[NH+](C)C)c1 ZINC000489520253 999783021 /nfs/dbraw/zinc/78/30/21/999783021.db2.gz CLPPYHMNTAKVCU-YGOYIFOWSA-N 2 1 424.589 3.508 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000489536385 999786852 /nfs/dbraw/zinc/78/68/52/999786852.db2.gz XPPBMFFKPWIVSM-FCEUIQTBSA-N 2 1 410.562 3.626 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000489635713 999807137 /nfs/dbraw/zinc/80/71/37/999807137.db2.gz ROUDZEWEVKAJTD-JOCHJYFZSA-N 2 1 402.966 3.924 20 0 HHADMP Cc1cc2ncn(C[C@@H](O)C[NH+]3CCC(C[N@H+](C)Cc4ccccc4)CC3)c2cc1C ZINC000489661036 999812306 /nfs/dbraw/zinc/81/23/06/999812306.db2.gz VLPIEDLOEXIQFJ-DEOSSOPVSA-N 2 1 420.601 3.858 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[NH+]3CCC(C[N@H+](C)Cc4ccccc4)CC3)c2cc1C ZINC000489661037 999812353 /nfs/dbraw/zinc/81/23/53/999812353.db2.gz VLPIEDLOEXIQFJ-XMMPIXPASA-N 2 1 420.601 3.858 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)N2CCOCC2)cc1F ZINC000480593997 999836093 /nfs/dbraw/zinc/83/60/93/999836093.db2.gz JAAGMGKXIBOTPT-UUOWRZLLSA-N 2 1 408.521 3.871 20 0 HHADMP CC[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(OC(F)F)cc1 ZINC000480600867 999837714 /nfs/dbraw/zinc/83/77/14/999837714.db2.gz KDQMSHVXLKYBON-NRFANRHFSA-N 2 1 417.500 3.917 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000489836423 999846699 /nfs/dbraw/zinc/84/66/99/999846699.db2.gz QLBGXLQZIRUHFP-GIWBLDEGSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000489836423 999846701 /nfs/dbraw/zinc/84/67/01/999846701.db2.gz QLBGXLQZIRUHFP-GIWBLDEGSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000489836423 999846704 /nfs/dbraw/zinc/84/67/04/999846704.db2.gz QLBGXLQZIRUHFP-GIWBLDEGSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccc(Cl)cc2)CC[N@@H+](C2CCC2)C1 ZINC000489920747 999862727 /nfs/dbraw/zinc/86/27/27/999862727.db2.gz UPJGJHXSCOBWDJ-NDXORKPFSA-N 2 1 404.986 3.601 20 0 HHADMP C[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccc(Cl)cc2)CC[N@H+](C2CCC2)C1 ZINC000489920747 999862730 /nfs/dbraw/zinc/86/27/30/999862730.db2.gz UPJGJHXSCOBWDJ-NDXORKPFSA-N 2 1 404.986 3.601 20 0 HHADMP C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC[NH+](C2CCC2)C1 ZINC000489920747 999862733 /nfs/dbraw/zinc/86/27/33/999862733.db2.gz UPJGJHXSCOBWDJ-NDXORKPFSA-N 2 1 404.986 3.601 20 0 HHADMP C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC[NH+](C2CCC2)C1 ZINC000489920747 999862734 /nfs/dbraw/zinc/86/27/34/999862734.db2.gz UPJGJHXSCOBWDJ-NDXORKPFSA-N 2 1 404.986 3.601 20 0 HHADMP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(F)cc3Br)cn2)CC1 ZINC000480703538 999863701 /nfs/dbraw/zinc/86/37/01/999863701.db2.gz DYIVSINMHIVOKB-HNNXBMFYSA-N 2 1 421.358 3.976 20 0 HHADMP COc1ccc(-c2noc([C@H](C)[NH+]3CCC(C[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)n2)cc1 ZINC000490084208 999890452 /nfs/dbraw/zinc/89/04/52/999890452.db2.gz YFGXANYTMKEFFU-BZSNNMDCSA-N 2 1 414.550 3.627 20 0 HHADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]3CCOCC3)c1)[C@@H](C)C2 ZINC000490167613 999903293 /nfs/dbraw/zinc/90/32/93/999903293.db2.gz LIRXSGAKYOHSQE-UQBPGWFLSA-N 2 1 407.558 3.679 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000490439940 999958117 /nfs/dbraw/zinc/95/81/17/999958117.db2.gz CZHWQJTZMKFPCD-UHFFFAOYSA-N 2 1 411.456 3.599 20 0 HHADMP C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490825906 1000012560 /nfs/dbraw/zinc/01/25/60/1000012560.db2.gz LKVWKXYOPCFHSA-BWKNWUBXSA-N 2 1 405.586 3.925 20 0 HHADMP COc1ccc([C@@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)c2ccccc2)cc1 ZINC000491059237 1000040651 /nfs/dbraw/zinc/04/06/51/1000040651.db2.gz KGWBBTFARWNBQA-VWLOTQADSA-N 2 1 417.553 3.866 20 0 HHADMP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000491893783 1000099624 /nfs/dbraw/zinc/09/96/24/1000099624.db2.gz WCFDADQBULMSAZ-UHFFFAOYSA-N 2 1 401.382 3.551 20 0 HHADMP O=C(NCc1ccccc1C[NH+]1CCCC1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000492914799 1000149637 /nfs/dbraw/zinc/14/96/37/1000149637.db2.gz VZDYPPOAQKLESZ-UHFFFAOYSA-N 2 1 411.456 3.731 20 0 HHADMP COC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(Cl)cc1 ZINC000493978615 1000249905 /nfs/dbraw/zinc/24/99/05/1000249905.db2.gz TWMVMCWPDYSDSQ-UNMCSNQZSA-N 2 1 415.965 3.515 20 0 HHADMP C[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000494070210 1000294374 /nfs/dbraw/zinc/29/43/74/1000294374.db2.gz VTXLFIJNODTNLD-XXBNENTESA-N 2 1 409.599 3.628 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000494131361 1000322820 /nfs/dbraw/zinc/32/28/20/1000322820.db2.gz GXCPWLXKLVMGCE-FGZHOGPDSA-N 2 1 401.501 3.980 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000494131361 1000322830 /nfs/dbraw/zinc/32/28/30/1000322830.db2.gz GXCPWLXKLVMGCE-FGZHOGPDSA-N 2 1 401.501 3.980 20 0 HHADMP CC(C)N1CC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494162990 1000335961 /nfs/dbraw/zinc/33/59/61/1000335961.db2.gz HYONRNASEGKZPF-GGAORHGYSA-N 2 1 401.501 3.737 20 0 HHADMP CC(C)N1CC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494162990 1000335967 /nfs/dbraw/zinc/33/59/67/1000335967.db2.gz HYONRNASEGKZPF-GGAORHGYSA-N 2 1 401.501 3.737 20 0 HHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000494191345 1000353155 /nfs/dbraw/zinc/35/31/55/1000353155.db2.gz INCWXHPECYAKEO-KRWDZBQOSA-N 2 1 409.755 3.959 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504935348 1000457332 /nfs/dbraw/zinc/45/73/32/1000457332.db2.gz DULVKRARIFYMOU-DEOSSOPVSA-N 2 1 406.574 3.615 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1)Cc1ccccc1 ZINC000494566972 1000557386 /nfs/dbraw/zinc/55/73/86/1000557386.db2.gz XMKASADKIOLLDZ-XMMPIXPASA-N 2 1 409.549 3.773 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1cccs1 ZINC000505158812 1000585199 /nfs/dbraw/zinc/58/51/99/1000585199.db2.gz ATLLBDSOVLGHPN-ROUUACIJSA-N 2 1 407.530 3.624 20 0 HHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccc(F)cc3)cc2)CC1 ZINC000494923574 1000732064 /nfs/dbraw/zinc/73/20/64/1000732064.db2.gz LYFZBCVZEVVLJW-WIOPSUGQSA-N 2 1 411.565 3.831 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccsc1 ZINC000505604623 1000930116 /nfs/dbraw/zinc/93/01/16/1000930116.db2.gz SPAYDBHRJVLIDW-OALUTQOASA-N 2 1 407.530 3.624 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccsc1 ZINC000505604622 1000930440 /nfs/dbraw/zinc/93/04/40/1000930440.db2.gz SPAYDBHRJVLIDW-MOPGFXCFSA-N 2 1 407.530 3.624 20 0 HHADMP O=C(N[C@@H]1CC[NH+]2CCCC[C@H]12)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000505691512 1000977842 /nfs/dbraw/zinc/97/78/42/1000977842.db2.gz HGKVPWXWQMWBFN-WOJBJXKFSA-N 2 1 424.511 3.550 20 0 HHADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000505691512 1000977847 /nfs/dbraw/zinc/97/78/47/1000977847.db2.gz HGKVPWXWQMWBFN-WOJBJXKFSA-N 2 1 424.511 3.550 20 0 HHADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000505691512 1000977852 /nfs/dbraw/zinc/97/78/52/1000977852.db2.gz HGKVPWXWQMWBFN-WOJBJXKFSA-N 2 1 424.511 3.550 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc(Cc2ccccc2)nc1C ZINC000505750771 1001005851 /nfs/dbraw/zinc/00/58/51/1001005851.db2.gz VFVJJMWWQSIOFV-FQEVSTJZSA-N 2 1 414.619 3.530 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCCC[NH+](C)Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000505883494 1001078987 /nfs/dbraw/zinc/07/89/87/1001078987.db2.gz BJANBJFBKWCHPK-OYRHEFFESA-N 2 1 409.574 3.548 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCCC[NH+](C)Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000505883494 1001078995 /nfs/dbraw/zinc/07/89/95/1001078995.db2.gz BJANBJFBKWCHPK-OYRHEFFESA-N 2 1 409.574 3.548 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NCCC[N@H+](C)Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000505883494 1001079006 /nfs/dbraw/zinc/07/90/06/1001079006.db2.gz BJANBJFBKWCHPK-OYRHEFFESA-N 2 1 409.574 3.548 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NCCC[N@@H+](C)Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000505883494 1001079013 /nfs/dbraw/zinc/07/90/13/1001079013.db2.gz BJANBJFBKWCHPK-OYRHEFFESA-N 2 1 409.574 3.548 20 0 HHADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000506283539 1001328193 /nfs/dbraw/zinc/32/81/93/1001328193.db2.gz SEKCGIMUULCYJX-GBXCKJPGSA-N 2 1 422.573 3.518 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000506283539 1001328198 /nfs/dbraw/zinc/32/81/98/1001328198.db2.gz SEKCGIMUULCYJX-GBXCKJPGSA-N 2 1 422.573 3.518 20 0 HHADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000497662074 1001476458 /nfs/dbraw/zinc/47/64/58/1001476458.db2.gz YQUCHKBDAGNRRY-DNVJHFABSA-N 2 1 412.622 3.585 20 0 HHADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000497662074 1001476461 /nfs/dbraw/zinc/47/64/61/1001476461.db2.gz YQUCHKBDAGNRRY-DNVJHFABSA-N 2 1 412.622 3.585 20 0 HHADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000497662074 1001476464 /nfs/dbraw/zinc/47/64/64/1001476464.db2.gz YQUCHKBDAGNRRY-DNVJHFABSA-N 2 1 412.622 3.585 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000506630541 1001476773 /nfs/dbraw/zinc/47/67/73/1001476773.db2.gz CCSFJHSHLVXKIP-OFNKIYASSA-N 2 1 400.611 3.934 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000506630541 1001476776 /nfs/dbraw/zinc/47/67/76/1001476776.db2.gz CCSFJHSHLVXKIP-OFNKIYASSA-N 2 1 400.611 3.934 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000506630541 1001476779 /nfs/dbraw/zinc/47/67/79/1001476779.db2.gz CCSFJHSHLVXKIP-OFNKIYASSA-N 2 1 400.611 3.934 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000506630539 1001476825 /nfs/dbraw/zinc/47/68/25/1001476825.db2.gz CCSFJHSHLVXKIP-NFBKMPQASA-N 2 1 400.611 3.934 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000506630539 1001476827 /nfs/dbraw/zinc/47/68/27/1001476827.db2.gz CCSFJHSHLVXKIP-NFBKMPQASA-N 2 1 400.611 3.934 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000506630539 1001476828 /nfs/dbraw/zinc/47/68/28/1001476828.db2.gz CCSFJHSHLVXKIP-NFBKMPQASA-N 2 1 400.611 3.934 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000497690676 1001486507 /nfs/dbraw/zinc/48/65/07/1001486507.db2.gz JZONRNXROZXOCR-KSEOMHKRSA-N 2 1 412.578 3.872 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)[NH+](C)Cc1ccccc1 ZINC000506793697 1001533449 /nfs/dbraw/zinc/53/34/49/1001533449.db2.gz BPQAATIPEMKSSA-QZNHQXDQSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)[N@H+](C)Cc1ccccc1 ZINC000506793697 1001533452 /nfs/dbraw/zinc/53/34/52/1001533452.db2.gz BPQAATIPEMKSSA-QZNHQXDQSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)[N@@H+](C)Cc1ccccc1 ZINC000506793697 1001533457 /nfs/dbraw/zinc/53/34/57/1001533457.db2.gz BPQAATIPEMKSSA-QZNHQXDQSA-N 2 1 400.611 3.803 20 0 HHADMP CC[N@H+]1CCC[C@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000507379694 1002035964 /nfs/dbraw/zinc/03/59/64/1002035964.db2.gz JSBQPGDRVYIDPJ-LJQANCHMSA-N 2 1 407.002 3.583 20 0 HHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000498694775 1002081570 /nfs/dbraw/zinc/08/15/70/1002081570.db2.gz MUJJAMOIVZRVSW-RDGATRHJSA-N 2 1 422.617 3.979 20 0 HHADMP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498707381 1002091236 /nfs/dbraw/zinc/09/12/36/1002091236.db2.gz SXPBGXJDCSFFKA-URXFXBBRSA-N 2 1 408.590 3.670 20 0 HHADMP O=C(CCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N1Cc2ccccc2C1 ZINC000507522681 1002131424 /nfs/dbraw/zinc/13/14/24/1002131424.db2.gz BNCIZNLPVSJOMA-ISJGIBHGSA-N 2 1 403.570 3.809 20 0 HHADMP O=C(c1ccccc1)N1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000507533032 1002141699 /nfs/dbraw/zinc/14/16/99/1002141699.db2.gz SSZGWOJWGVLPQG-ICDZXHCJSA-N 2 1 403.570 3.791 20 0 HHADMP C[C@@H](NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000498798962 1002184343 /nfs/dbraw/zinc/18/43/43/1002184343.db2.gz MHUAVBQMFLFMIV-CYGHRXIMSA-N 2 1 403.533 3.664 20 0 HHADMP C[C@@H](NC(=O)[C@@H]1C[NH+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000498798962 1002184350 /nfs/dbraw/zinc/18/43/50/1002184350.db2.gz MHUAVBQMFLFMIV-CYGHRXIMSA-N 2 1 403.533 3.664 20 0 HHADMP C[C@@H](NC(=O)[C@@H]1C[NH+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000498798962 1002184354 /nfs/dbraw/zinc/18/43/54/1002184354.db2.gz MHUAVBQMFLFMIV-CYGHRXIMSA-N 2 1 403.533 3.664 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000507827999 1002371513 /nfs/dbraw/zinc/37/15/13/1002371513.db2.gz HPWKSEVSASSZML-UHFFFAOYSA-N 2 1 415.622 3.883 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000508041145 1002562821 /nfs/dbraw/zinc/56/28/21/1002562821.db2.gz BTZDXAGVUPFJKS-IBGZPJMESA-N 2 1 414.585 3.650 20 0 HHADMP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)nc2)C1 ZINC000499188876 1002578819 /nfs/dbraw/zinc/57/88/19/1002578819.db2.gz IXBGGYMSCGMVAN-KHUIQGCPSA-N 2 1 405.590 3.829 20 0 HHADMP C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499221123 1002607118 /nfs/dbraw/zinc/60/71/18/1002607118.db2.gz CYASOIIQNAEJGW-IGSOQLKZSA-N 2 1 418.629 3.982 20 0 HHADMP CCc1cc(N2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)ncn1 ZINC000499239812 1002630837 /nfs/dbraw/zinc/63/08/37/1002630837.db2.gz QANQVOXNANQXGT-JOZNFPNDSA-N 2 1 405.590 3.793 20 0 HHADMP O=C1COc2ccccc2N1CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499249161 1002646589 /nfs/dbraw/zinc/64/65/89/1002646589.db2.gz JXUCHWGCWYWCJH-KOUNCHBCSA-N 2 1 405.542 3.587 20 0 HHADMP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508723135 1003163946 /nfs/dbraw/zinc/16/39/46/1003163946.db2.gz ZZQFMMDHYJTOAR-GPUOULLFSA-N 2 1 405.586 3.720 20 0 HHADMP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508723135 1003163952 /nfs/dbraw/zinc/16/39/52/1003163952.db2.gz ZZQFMMDHYJTOAR-GPUOULLFSA-N 2 1 405.586 3.720 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722662 1003163963 /nfs/dbraw/zinc/16/39/63/1003163963.db2.gz YFYOKSXVKLUOTL-REWPJTCUSA-N 2 1 417.557 3.522 20 0 HHADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000500103312 1003465229 /nfs/dbraw/zinc/46/52/29/1003465229.db2.gz ITIGLTYZNWPPRZ-UHFFFAOYSA-N 2 1 424.564 3.839 20 0 HHADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000500103312 1003465235 /nfs/dbraw/zinc/46/52/35/1003465235.db2.gz ITIGLTYZNWPPRZ-UHFFFAOYSA-N 2 1 424.564 3.839 20 0 HHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cccc(NC(C)=O)c3)CC2)c1C ZINC000509036409 1003506009 /nfs/dbraw/zinc/50/60/09/1003506009.db2.gz XTFGDALRTUXZCB-UHFFFAOYSA-N 2 1 410.562 3.762 20 0 HHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cccc(NC(C)=O)c3)CC2)c1C ZINC000509036409 1003506020 /nfs/dbraw/zinc/50/60/20/1003506020.db2.gz XTFGDALRTUXZCB-UHFFFAOYSA-N 2 1 410.562 3.762 20 0 HHADMP COc1c(C)cnc(C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)c1C ZINC000509049957 1003514680 /nfs/dbraw/zinc/51/46/80/1003514680.db2.gz ULCFIBDIRCQZPV-UHFFFAOYSA-N 2 1 412.578 3.824 20 0 HHADMP COc1c(C)cnc(C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)c1C ZINC000509049957 1003514673 /nfs/dbraw/zinc/51/46/73/1003514673.db2.gz ULCFIBDIRCQZPV-UHFFFAOYSA-N 2 1 412.578 3.824 20 0 HHADMP C[C@@H](NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C1=CC[NH+](C)CC1 ZINC000511871251 1003850155 /nfs/dbraw/zinc/85/01/55/1003850155.db2.gz ZXEILPOLHSNZLZ-DCEDVJGZSA-N 2 1 418.585 3.604 20 0 HHADMP C[C@@H](NC(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccccc1)C1=CC[N@H+](C)CC1 ZINC000511871251 1003850173 /nfs/dbraw/zinc/85/01/73/1003850173.db2.gz ZXEILPOLHSNZLZ-DCEDVJGZSA-N 2 1 418.585 3.604 20 0 HHADMP C[C@@H](NC(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000511871251 1003850194 /nfs/dbraw/zinc/85/01/94/1003850194.db2.gz ZXEILPOLHSNZLZ-DCEDVJGZSA-N 2 1 418.585 3.604 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)NC[C@@H](c3ccco3)[NH+](C)C)cc2)C1 ZINC000500646510 1003859456 /nfs/dbraw/zinc/85/94/56/1003859456.db2.gz GYKXQSMRIIDDAC-JQVVWYNYSA-N 2 1 412.578 3.860 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NC[C@@H](c3ccco3)[NH+](C)C)cc2)C1 ZINC000500646510 1003859475 /nfs/dbraw/zinc/85/94/75/1003859475.db2.gz GYKXQSMRIIDDAC-JQVVWYNYSA-N 2 1 412.578 3.860 20 0 HHADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c(Br)c1 ZINC000511923569 1003896753 /nfs/dbraw/zinc/89/67/53/1003896753.db2.gz QBUDVHBVZQXTQG-LJQANCHMSA-N 2 1 419.363 3.704 20 0 HHADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(Br)c1 ZINC000511923569 1003896770 /nfs/dbraw/zinc/89/67/70/1003896770.db2.gz QBUDVHBVZQXTQG-LJQANCHMSA-N 2 1 419.363 3.704 20 0 HHADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1NC(=O)C[NH+]1CCCCC1 ZINC000511943793 1003911571 /nfs/dbraw/zinc/91/15/71/1003911571.db2.gz OLZXLJJEKMIADV-CEXWTWQISA-N 2 1 400.567 3.619 20 0 HHADMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cc1NC(=O)C[NH+]1CCCCC1 ZINC000511943793 1003911575 /nfs/dbraw/zinc/91/15/75/1003911575.db2.gz OLZXLJJEKMIADV-CEXWTWQISA-N 2 1 400.567 3.619 20 0 HHADMP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000512132447 1004045804 /nfs/dbraw/zinc/04/58/04/1004045804.db2.gz SBTCJDPZCNGICA-TXTKFYIRSA-N 2 1 401.595 3.632 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000512132447 1004045811 /nfs/dbraw/zinc/04/58/11/1004045811.db2.gz SBTCJDPZCNGICA-TXTKFYIRSA-N 2 1 401.595 3.632 20 0 HHADMP CCC[N@H+](CC)Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000512188598 1004090042 /nfs/dbraw/zinc/09/00/42/1004090042.db2.gz BPKQCMWIRIFNSX-UHFFFAOYSA-N 2 1 409.574 3.681 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000512188598 1004090053 /nfs/dbraw/zinc/09/00/53/1004090053.db2.gz BPKQCMWIRIFNSX-UHFFFAOYSA-N 2 1 409.574 3.681 20 0 HHADMP C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501021604 1004123836 /nfs/dbraw/zinc/12/38/36/1004123836.db2.gz GRJVSGNUWSQIBX-SFHVURJKSA-N 2 1 410.587 3.757 20 0 HHADMP O=C(CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)NCc1ccccc1Cl ZINC000512237996 1004140329 /nfs/dbraw/zinc/14/03/29/1004140329.db2.gz XLOGOLBTGNLTSN-XMMPIXPASA-N 2 1 411.977 3.944 20 0 HHADMP O=C(CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)NCc1ccccc1Cl ZINC000512237996 1004140335 /nfs/dbraw/zinc/14/03/35/1004140335.db2.gz XLOGOLBTGNLTSN-XMMPIXPASA-N 2 1 411.977 3.944 20 0 HHADMP O=C(CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)NCc1ccccc1Cl ZINC000512237996 1004140341 /nfs/dbraw/zinc/14/03/41/1004140341.db2.gz XLOGOLBTGNLTSN-XMMPIXPASA-N 2 1 411.977 3.944 20 0 HHADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCCN2CC[NH+](C(C)C)CC2)[C@H]2CCCC[C@H]12 ZINC000501056031 1004158422 /nfs/dbraw/zinc/15/84/22/1004158422.db2.gz DKGAHEYMPLLLKL-FCUGFLGKSA-N 2 1 420.686 3.586 20 0 HHADMP CCC[N@H+](CCC(=O)Nc1cccc(F)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512283436 1004185412 /nfs/dbraw/zinc/18/54/12/1004185412.db2.gz PPEYGJIMPKXZGF-UHFFFAOYSA-N 2 1 413.541 3.942 20 0 HHADMP CCC[N@@H+](CCC(=O)Nc1cccc(F)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512283436 1004185419 /nfs/dbraw/zinc/18/54/19/1004185419.db2.gz PPEYGJIMPKXZGF-UHFFFAOYSA-N 2 1 413.541 3.942 20 0 HHADMP c1ccc(C[NH+]2CC[C@@]3(CCN(C[C@H]4C[N@@H+](Cc5ccccc5)CCCO4)C3)C2)cc1 ZINC000512284796 1004187489 /nfs/dbraw/zinc/18/74/89/1004187489.db2.gz DKCSGTMHDXJYSI-KAYWLYCHSA-N 2 1 419.613 3.876 20 0 HHADMP c1ccc(C[N@H+]2CC[C@@]3(CCN(C[C@H]4C[NH+](Cc5ccccc5)CCCO4)C3)C2)cc1 ZINC000512284796 1004187495 /nfs/dbraw/zinc/18/74/95/1004187495.db2.gz DKCSGTMHDXJYSI-KAYWLYCHSA-N 2 1 419.613 3.876 20 0 HHADMP c1ccc(C[N@@H+]2CC[C@@]3(CCN(C[C@H]4C[NH+](Cc5ccccc5)CCCO4)C3)C2)cc1 ZINC000512284796 1004187500 /nfs/dbraw/zinc/18/75/00/1004187500.db2.gz DKCSGTMHDXJYSI-KAYWLYCHSA-N 2 1 419.613 3.876 20 0 HHADMP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000501090527 1004196841 /nfs/dbraw/zinc/19/68/41/1004196841.db2.gz SLSUFGYXBVGQKG-LJQANCHMSA-N 2 1 423.561 3.583 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512322256 1004215970 /nfs/dbraw/zinc/21/59/70/1004215970.db2.gz IQFWTWRJEBNUNJ-NLWGTHIKSA-N 2 1 405.608 3.530 20 0 HHADMP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(Sc4ccccn4)o3)cn2)CC1 ZINC000509941633 1004222102 /nfs/dbraw/zinc/22/21/02/1004222102.db2.gz GDAYMVNKDVSPHT-UHFFFAOYSA-N 2 1 409.559 3.653 20 0 HHADMP CC(C)CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)C1CC[NH+](C)CC1 ZINC000512339705 1004227723 /nfs/dbraw/zinc/22/77/23/1004227723.db2.gz YZLQUDHXXOZQPS-NRFANRHFSA-N 2 1 407.549 3.723 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000512393162 1004266875 /nfs/dbraw/zinc/26/68/75/1004266875.db2.gz OKJIYDVGJKREAK-YFNKSVMNSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CCC(CC[NH+](C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000512429304 1004296133 /nfs/dbraw/zinc/29/61/33/1004296133.db2.gz FJLGDKHONUVADX-OFNKIYASSA-N 2 1 400.611 3.660 20 0 HHADMP Cn1c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)nc2cc(C(F)(F)F)ccc21 ZINC000512458143 1004317922 /nfs/dbraw/zinc/31/79/22/1004317922.db2.gz YHLMUVHOUXQJLB-UHFFFAOYSA-N 2 1 410.484 3.526 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)c2ccccc2OCC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000510119342 1004337680 /nfs/dbraw/zinc/33/76/80/1004337680.db2.gz NVLCXCDKQYVHAX-IFMALSPDSA-N 2 1 409.574 3.658 20 0 HHADMP Cc1ccc(C)c(OCCC[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512487567 1004338460 /nfs/dbraw/zinc/33/84/60/1004338460.db2.gz WLYMDCVBIMUTQR-RUZDIDTESA-N 2 1 407.602 3.964 20 0 HHADMP C[C@@H](NC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000501363434 1004368542 /nfs/dbraw/zinc/36/85/42/1004368542.db2.gz OYYQOQXUWOFVGB-QEFHDYNCSA-N 2 1 408.590 3.888 20 0 HHADMP CCC[N@H+](CC(=O)Nc1ccccc1CC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510235115 1004414148 /nfs/dbraw/zinc/41/41/48/1004414148.db2.gz FSENFPFVKBUPPW-UHFFFAOYSA-N 2 1 409.578 3.975 20 0 HHADMP CCC[N@@H+](CC(=O)Nc1ccccc1CC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510235115 1004414154 /nfs/dbraw/zinc/41/41/54/1004414154.db2.gz FSENFPFVKBUPPW-UHFFFAOYSA-N 2 1 409.578 3.975 20 0 HHADMP O[C@]1(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC[NH+](Cc2ccccc2)C1 ZINC000512611229 1004424533 /nfs/dbraw/zinc/42/45/33/1004424533.db2.gz JAYJFOSZKBMCJD-CWTOASCOSA-N 2 1 419.613 3.514 20 0 HHADMP O[C@]1(CN[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)CC[N@H+](Cc2ccccc2)C1 ZINC000512611229 1004424546 /nfs/dbraw/zinc/42/45/46/1004424546.db2.gz JAYJFOSZKBMCJD-CWTOASCOSA-N 2 1 419.613 3.514 20 0 HHADMP O[C@]1(CN[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)CC[N@@H+](Cc2ccccc2)C1 ZINC000512611229 1004424552 /nfs/dbraw/zinc/42/45/52/1004424552.db2.gz JAYJFOSZKBMCJD-CWTOASCOSA-N 2 1 419.613 3.514 20 0 HHADMP O[C@]1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCN(Cc2ccccc2)C1 ZINC000512611229 1004424560 /nfs/dbraw/zinc/42/45/60/1004424560.db2.gz JAYJFOSZKBMCJD-CWTOASCOSA-N 2 1 419.613 3.514 20 0 HHADMP O[C@]1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCN(Cc2ccccc2)C1 ZINC000512611229 1004424565 /nfs/dbraw/zinc/42/45/65/1004424565.db2.gz JAYJFOSZKBMCJD-CWTOASCOSA-N 3 1 419.613 3.514 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4ccccc4CN4CCOCC4)[C@H]3C2)cc1 ZINC000512622784 1004436229 /nfs/dbraw/zinc/43/62/29/1004436229.db2.gz CCGPEGZDGYFEKD-QKDODKLFSA-N 2 1 419.613 3.909 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCC[C@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000510270828 1004439679 /nfs/dbraw/zinc/43/96/79/1004439679.db2.gz HGYNIQGZVIAQTR-ACIOBRDBSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000510270828 1004439683 /nfs/dbraw/zinc/43/96/83/1004439683.db2.gz HGYNIQGZVIAQTR-ACIOBRDBSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000510270828 1004439689 /nfs/dbraw/zinc/43/96/89/1004439689.db2.gz HGYNIQGZVIAQTR-ACIOBRDBSA-N 2 1 400.611 3.564 20 0 HHADMP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000501475648 1004450091 /nfs/dbraw/zinc/45/00/91/1004450091.db2.gz GLRJZVOLSXEBMQ-ZWKOTPCHSA-N 2 1 407.002 3.867 20 0 HHADMP c1ncn(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)cc2)n1 ZINC000512646765 1004458096 /nfs/dbraw/zinc/45/80/96/1004458096.db2.gz CYLLCBQCUGMHRY-ISJGIBHGSA-N 2 1 401.558 3.717 20 0 HHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)CC2)nc(C)n1 ZINC000512646885 1004458358 /nfs/dbraw/zinc/45/83/58/1004458358.db2.gz DXVFLLNVKUKELA-PZUNEJSGSA-N 2 1 419.617 3.953 20 0 HHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)CC2)nc(C)[nH+]1 ZINC000512646885 1004458360 /nfs/dbraw/zinc/45/83/60/1004458360.db2.gz DXVFLLNVKUKELA-PZUNEJSGSA-N 3 1 419.617 3.953 20 0 HHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)CC2)nc(C)[nH+]1 ZINC000512646885 1004458365 /nfs/dbraw/zinc/45/83/65/1004458365.db2.gz DXVFLLNVKUKELA-PZUNEJSGSA-N 3 1 419.617 3.953 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCC[C@@H](C)C1 ZINC000501499767 1004469746 /nfs/dbraw/zinc/46/97/46/1004469746.db2.gz CCQIGYGUOOSZIJ-MOPGFXCFSA-N 2 1 407.002 3.678 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCC[C@@H](C)C1 ZINC000501499767 1004469750 /nfs/dbraw/zinc/46/97/50/1004469750.db2.gz CCQIGYGUOOSZIJ-MOPGFXCFSA-N 2 1 407.002 3.678 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501499767 1004469754 /nfs/dbraw/zinc/46/97/54/1004469754.db2.gz CCQIGYGUOOSZIJ-MOPGFXCFSA-N 2 1 407.002 3.678 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000501499767 1004469756 /nfs/dbraw/zinc/46/97/56/1004469756.db2.gz CCQIGYGUOOSZIJ-MOPGFXCFSA-N 2 1 407.002 3.678 20 0 HHADMP O=C1COc2ccccc2N1CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512661846 1004473189 /nfs/dbraw/zinc/47/31/89/1004473189.db2.gz USGQVUBHTVRHEZ-DNVJHFABSA-N 2 1 419.569 3.692 20 0 HHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000512687054 1004494191 /nfs/dbraw/zinc/49/41/91/1004494191.db2.gz LSWPXHKICAGUON-DHIUTWEWSA-N 2 1 400.655 3.635 20 0 HHADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000512693851 1004498989 /nfs/dbraw/zinc/49/89/89/1004498989.db2.gz QDRPWONCENHVON-VXKWHMMOSA-N 2 1 408.590 3.651 20 0 HHADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000501573937 1004528226 /nfs/dbraw/zinc/52/82/26/1004528226.db2.gz KXKGTNTXRHLIBO-UHFFFAOYSA-N 2 1 401.599 3.523 20 0 HHADMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(Br)c1OC(F)F ZINC000512803731 1004568579 /nfs/dbraw/zinc/56/85/79/1004568579.db2.gz ABFHUASEUGLWNP-QWHCGFSZSA-N 2 1 405.283 3.776 20 0 HHADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc(Br)c1OC(F)F ZINC000512803731 1004568585 /nfs/dbraw/zinc/56/85/85/1004568585.db2.gz ABFHUASEUGLWNP-QWHCGFSZSA-N 2 1 405.283 3.776 20 0 HHADMP O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CC[NH+](C2CCCC2)CC1 ZINC000512837346 1004596394 /nfs/dbraw/zinc/59/63/94/1004596394.db2.gz HYVWBRZDBYZBBO-IBGZPJMESA-N 2 1 424.511 3.550 20 0 HHADMP C[C@H](NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510482411 1004599769 /nfs/dbraw/zinc/59/97/69/1004599769.db2.gz PGFKIPJCEVQRJM-XGHQBKJUSA-N 2 1 407.002 3.895 20 0 HHADMP C[C@H](NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510482411 1004599776 /nfs/dbraw/zinc/59/97/76/1004599776.db2.gz PGFKIPJCEVQRJM-XGHQBKJUSA-N 2 1 407.002 3.895 20 0 HHADMP C[C@@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510495390 1004614367 /nfs/dbraw/zinc/61/43/67/1004614367.db2.gz YZPKNUWXWMHEKE-IRLDBZIGSA-N 2 1 412.622 3.646 20 0 HHADMP O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000512851984 1004615350 /nfs/dbraw/zinc/61/53/50/1004615350.db2.gz LRYUIVIJSLGCNA-MOPGFXCFSA-N 2 1 424.511 3.596 20 0 HHADMP O=C(N[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000512851984 1004615378 /nfs/dbraw/zinc/61/53/78/1004615378.db2.gz LRYUIVIJSLGCNA-MOPGFXCFSA-N 2 1 424.511 3.596 20 0 HHADMP O=C(N[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000512851984 1004615438 /nfs/dbraw/zinc/61/54/38/1004615438.db2.gz LRYUIVIJSLGCNA-MOPGFXCFSA-N 2 1 424.511 3.596 20 0 HHADMP O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000512853134 1004616619 /nfs/dbraw/zinc/61/66/19/1004616619.db2.gz TZPZBZHQZMKDRX-PMACEKPBSA-N 2 1 424.511 3.550 20 0 HHADMP CCc1ccc([C@H](CNC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)[NH+](C)C)cc1 ZINC000510525343 1004654675 /nfs/dbraw/zinc/65/46/75/1004654675.db2.gz MWAPZZQVBROGHV-JZWVFAODSA-N 2 1 400.611 3.804 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)C2=CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000510579397 1004726776 /nfs/dbraw/zinc/72/67/76/1004726776.db2.gz KYOJUOCNVLUILU-RVHYNSKXSA-N 2 1 422.976 3.953 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)C2=CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000510579397 1004726782 /nfs/dbraw/zinc/72/67/82/1004726782.db2.gz KYOJUOCNVLUILU-RVHYNSKXSA-N 2 1 422.976 3.953 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000510579397 1004726787 /nfs/dbraw/zinc/72/67/87/1004726787.db2.gz KYOJUOCNVLUILU-RVHYNSKXSA-N 2 1 422.976 3.953 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000510579397 1004726794 /nfs/dbraw/zinc/72/67/94/1004726794.db2.gz KYOJUOCNVLUILU-RVHYNSKXSA-N 2 1 422.976 3.953 20 0 HHADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000501789856 1004732876 /nfs/dbraw/zinc/73/28/76/1004732876.db2.gz AWCUVRGGFHDURI-UHFFFAOYSA-N 2 1 406.958 3.960 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000501789856 1004732881 /nfs/dbraw/zinc/73/28/81/1004732881.db2.gz AWCUVRGGFHDURI-UHFFFAOYSA-N 2 1 406.958 3.960 20 0 HHADMP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000501833894 1004765689 /nfs/dbraw/zinc/76/56/89/1004765689.db2.gz XGFLKJWCGDGFHG-XMMPIXPASA-N 2 1 424.564 3.880 20 0 HHADMP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000501833894 1004765695 /nfs/dbraw/zinc/76/56/95/1004765695.db2.gz XGFLKJWCGDGFHG-XMMPIXPASA-N 2 1 424.564 3.880 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000510640876 1004771870 /nfs/dbraw/zinc/77/18/70/1004771870.db2.gz WGTICQPXNQYALB-ZVDOUQERSA-N 2 1 413.610 3.559 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ncc(-c2ccccc2)s1 ZINC000510674628 1004792771 /nfs/dbraw/zinc/79/27/71/1004792771.db2.gz JMIFRVTULIYQCE-SFHVURJKSA-N 2 1 401.580 3.690 20 0 HHADMP COC1CC[NH+](C2(C[NH2+]C3CCN(c4ccc(F)cc4F)CC3)CCCC2)CC1 ZINC000513204696 1004860000 /nfs/dbraw/zinc/86/00/00/1004860000.db2.gz UZKBZTIYLSNHRI-UHFFFAOYSA-N 2 1 407.549 3.947 20 0 HHADMP CC1(C)CC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC(C)(C)[NH2+]1 ZINC000510882462 1004908868 /nfs/dbraw/zinc/90/88/68/1004908868.db2.gz KLZZXPUDHVWMKI-FQEVSTJZSA-N 2 1 400.611 3.896 20 0 HHADMP O=C(Cc1ccccc1)N1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000510942857 1004946500 /nfs/dbraw/zinc/94/65/00/1004946500.db2.gz COFSSEYCCZCXJR-XDZVQPMWSA-N 2 1 417.597 3.720 20 0 HHADMP COCc1ccccc1/C=C(\C)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000510951208 1004950035 /nfs/dbraw/zinc/95/00/35/1004950035.db2.gz KVLWBJMYNTXIEH-RPISRQAYSA-N 2 1 421.585 3.723 20 0 HHADMP CC[NH+](CC)CCOc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000510976725 1004962601 /nfs/dbraw/zinc/96/26/01/1004962601.db2.gz VIQOIXFWFZKLRE-TZIWHRDSSA-N 2 1 401.595 3.790 20 0 HHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccccc2OCC(=O)N(C)C)C[N@H+]1Cc1ccccc1 ZINC000513506279 1004995139 /nfs/dbraw/zinc/99/51/39/1004995139.db2.gz PLVMGCIZGNGENU-IRLDBZIGSA-N 2 1 409.574 3.544 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cnc(-c4ccsc4)s3)CC2)CC1 ZINC000513636710 1005059728 /nfs/dbraw/zinc/05/97/28/1005059728.db2.gz AZPGSBYIRQKMCI-UHFFFAOYSA-N 2 1 418.632 3.638 20 0 HHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(F)c(-c4cccs4)c3)CC2)CC1 ZINC000513642319 1005062526 /nfs/dbraw/zinc/06/25/26/1005062526.db2.gz KVJAGTZUTKLELF-UHFFFAOYSA-N 2 1 415.578 3.930 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(-c4ccccc4F)o3)CC2)CC1 ZINC000513653365 1005067783 /nfs/dbraw/zinc/06/77/83/1005067783.db2.gz DDYZHCMBGABWDQ-UHFFFAOYSA-N 2 1 413.537 3.852 20 0 HHADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511232953 1005084678 /nfs/dbraw/zinc/08/46/78/1005084678.db2.gz XBHDZXPFOXXHAW-JBACZVJFSA-N 2 1 401.570 3.807 20 0 HHADMP C[C@H](NC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511232953 1005084682 /nfs/dbraw/zinc/08/46/82/1005084682.db2.gz XBHDZXPFOXXHAW-JBACZVJFSA-N 2 1 401.570 3.807 20 0 HHADMP C[C@H](NC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511232953 1005084686 /nfs/dbraw/zinc/08/46/86/1005084686.db2.gz XBHDZXPFOXXHAW-JBACZVJFSA-N 2 1 401.570 3.807 20 0 HHADMP C[C@@H](NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511304711 1005116753 /nfs/dbraw/zinc/11/67/53/1005116753.db2.gz FSTFNCZRQPPMHS-AWWSKVOZSA-N 2 1 413.606 3.679 20 0 HHADMP C[C@@H](NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511304711 1005116757 /nfs/dbraw/zinc/11/67/57/1005116757.db2.gz FSTFNCZRQPPMHS-AWWSKVOZSA-N 2 1 413.606 3.679 20 0 HHADMP C[C@@H](NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511304711 1005116763 /nfs/dbraw/zinc/11/67/63/1005116763.db2.gz FSTFNCZRQPPMHS-AWWSKVOZSA-N 2 1 413.606 3.679 20 0 HHADMP C[C@@H](NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511304711 1005116768 /nfs/dbraw/zinc/11/67/68/1005116768.db2.gz FSTFNCZRQPPMHS-AWWSKVOZSA-N 2 1 413.606 3.679 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511410683 1005164474 /nfs/dbraw/zinc/16/44/74/1005164474.db2.gz PBJGSIAJAKGQQQ-BAMDZGJYSA-N 2 1 412.622 3.992 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511410683 1005164477 /nfs/dbraw/zinc/16/44/77/1005164477.db2.gz PBJGSIAJAKGQQQ-BAMDZGJYSA-N 2 1 412.622 3.992 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511410683 1005164479 /nfs/dbraw/zinc/16/44/79/1005164479.db2.gz PBJGSIAJAKGQQQ-BAMDZGJYSA-N 2 1 412.622 3.992 20 0 HHADMP O=C(NC1CC[NH+](C2CC2)CC1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000502669625 1005171370 /nfs/dbraw/zinc/17/13/70/1005171370.db2.gz PHJAXUMBRQYVEX-UHFFFAOYSA-N 2 1 416.569 3.710 20 0 HHADMP Cc1ccc(NCCCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[nH+]c1 ZINC000511443127 1005178639 /nfs/dbraw/zinc/17/86/39/1005178639.db2.gz UXQPCIXSQKHFJF-OAQYLSRUSA-N 2 1 409.578 3.792 20 0 HHADMP Cc1ccc(NCCCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[nH+]c1 ZINC000511443127 1005178640 /nfs/dbraw/zinc/17/86/40/1005178640.db2.gz UXQPCIXSQKHFJF-OAQYLSRUSA-N 2 1 409.578 3.792 20 0 HHADMP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2)[C@@H](C)Cc2ccccc2OC)CC1 ZINC000513963038 1005204303 /nfs/dbraw/zinc/20/43/03/1005204303.db2.gz JWGRDRWJCXZOGS-NRFANRHFSA-N 2 1 423.601 3.729 20 0 HHADMP C[NH+](C)CCOc1cccc(NC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c1 ZINC000513981010 1005212112 /nfs/dbraw/zinc/21/21/12/1005212112.db2.gz DGWXELPZJLBIJH-UHFFFAOYSA-N 2 1 424.589 3.799 20 0 HHADMP C[N@@H+](CCCNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)Cc1ccccc1 ZINC000514010700 1005227125 /nfs/dbraw/zinc/22/71/25/1005227125.db2.gz DIYDTABDAILENZ-NRFANRHFSA-N 2 1 414.619 3.781 20 0 HHADMP C[NH+](CCCNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)Cc1ccccc1 ZINC000514010700 1005227130 /nfs/dbraw/zinc/22/71/30/1005227130.db2.gz DIYDTABDAILENZ-NRFANRHFSA-N 2 1 414.619 3.781 20 0 HHADMP C[NH+](CCCNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Cc1ccccc1 ZINC000514010700 1005227137 /nfs/dbraw/zinc/22/71/37/1005227137.db2.gz DIYDTABDAILENZ-NRFANRHFSA-N 2 1 414.619 3.781 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000502829077 1005235445 /nfs/dbraw/zinc/23/54/45/1005235445.db2.gz PVEPKWSZWMDKCZ-XPNTWCBSSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000514033132 1005236383 /nfs/dbraw/zinc/23/63/83/1005236383.db2.gz QBBHZJQDZQABDO-YKSBVNFPSA-N 2 1 406.574 3.917 20 0 HHADMP CC1CC[NH+](C2CCC(NC(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)CC2)CC1 ZINC000502833191 1005237637 /nfs/dbraw/zinc/23/76/37/1005237637.db2.gz SUDRODSITYQBMD-XLLVLBFCSA-N 2 1 402.627 3.688 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCCN(Cc3ccc(F)cc3)CC2)C1 ZINC000502847042 1005242126 /nfs/dbraw/zinc/24/21/26/1005242126.db2.gz RAMBKKLYEDIOMD-HXUWFJFHSA-N 2 1 404.574 3.555 20 0 HHADMP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000502847042 1005242129 /nfs/dbraw/zinc/24/21/29/1005242129.db2.gz RAMBKKLYEDIOMD-HXUWFJFHSA-N 2 1 404.574 3.555 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000502847042 1005242133 /nfs/dbraw/zinc/24/21/33/1005242133.db2.gz RAMBKKLYEDIOMD-HXUWFJFHSA-N 2 1 404.574 3.555 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000502847042 1005242135 /nfs/dbraw/zinc/24/21/35/1005242135.db2.gz RAMBKKLYEDIOMD-HXUWFJFHSA-N 2 1 404.574 3.555 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000502847042 1005242140 /nfs/dbraw/zinc/24/21/40/1005242140.db2.gz RAMBKKLYEDIOMD-HXUWFJFHSA-N 2 1 404.574 3.555 20 0 HHADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000511629485 1005251797 /nfs/dbraw/zinc/25/17/97/1005251797.db2.gz PKBOEOQNGNTJDJ-UHFFFAOYSA-N 2 1 417.491 3.761 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000502896908 1005264452 /nfs/dbraw/zinc/26/44/52/1005264452.db2.gz XCVMKMNACOWYQC-NRFANRHFSA-N 2 1 400.611 3.984 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000514110340 1005269986 /nfs/dbraw/zinc/26/99/86/1005269986.db2.gz CSAILVJYNNHGPI-OQLXKQOESA-N 2 1 400.611 3.879 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000514110340 1005269987 /nfs/dbraw/zinc/26/99/87/1005269987.db2.gz CSAILVJYNNHGPI-OQLXKQOESA-N 2 1 400.611 3.879 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000514110340 1005269990 /nfs/dbraw/zinc/26/99/90/1005269990.db2.gz CSAILVJYNNHGPI-OQLXKQOESA-N 2 1 400.611 3.879 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1F ZINC000514123543 1005276476 /nfs/dbraw/zinc/27/64/76/1005276476.db2.gz VMLIQCQNZHDSFV-KRWDZBQOSA-N 2 1 401.530 3.631 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1F ZINC000514123543 1005276480 /nfs/dbraw/zinc/27/64/80/1005276480.db2.gz VMLIQCQNZHDSFV-KRWDZBQOSA-N 2 1 401.530 3.631 20 0 HHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NCCC[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000502946550 1005287270 /nfs/dbraw/zinc/28/72/70/1005287270.db2.gz BKOJEFPLVSULFB-FQEVSTJZSA-N 2 1 408.590 3.863 20 0 HHADMP C[C@H]1CC[N@H+](C)CCN1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000502964934 1005294901 /nfs/dbraw/zinc/29/49/01/1005294901.db2.gz LMPKQVBNICOXRK-RXVVDRJESA-N 2 1 412.603 3.583 20 0 HHADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000502964934 1005294905 /nfs/dbraw/zinc/29/49/05/1005294905.db2.gz LMPKQVBNICOXRK-RXVVDRJESA-N 2 1 412.603 3.583 20 0 HHADMP C[C@H]1CC[NH+](C)CCN1C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000502964934 1005294908 /nfs/dbraw/zinc/29/49/08/1005294908.db2.gz LMPKQVBNICOXRK-RXVVDRJESA-N 2 1 412.603 3.583 20 0 HHADMP C[C@H]1CC[NH+](C)CCN1C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000502964934 1005294911 /nfs/dbraw/zinc/29/49/11/1005294911.db2.gz LMPKQVBNICOXRK-RXVVDRJESA-N 2 1 412.603 3.583 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000503050640 1005328013 /nfs/dbraw/zinc/32/80/13/1005328013.db2.gz OHZBYUNPHREGHI-YPAWHYETSA-N 2 1 424.614 3.774 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000503050640 1005328016 /nfs/dbraw/zinc/32/80/16/1005328016.db2.gz OHZBYUNPHREGHI-YPAWHYETSA-N 2 1 424.614 3.774 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000503050640 1005328022 /nfs/dbraw/zinc/32/80/22/1005328022.db2.gz OHZBYUNPHREGHI-YPAWHYETSA-N 2 1 424.614 3.774 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000503050640 1005328028 /nfs/dbraw/zinc/32/80/28/1005328028.db2.gz OHZBYUNPHREGHI-YPAWHYETSA-N 2 1 424.614 3.774 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000503333115 1005392224 /nfs/dbraw/zinc/39/22/24/1005392224.db2.gz TVQXDAKUMWSGMV-QHCPKHFHSA-N 2 1 400.611 3.792 20 0 HHADMP CCCN(C(=O)NCCC1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000503735759 1005487286 /nfs/dbraw/zinc/48/72/86/1005487286.db2.gz AAFLJICUELCBCW-HSZRJFAPSA-N 2 1 400.611 3.805 20 0 HHADMP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000514579201 1006045854 /nfs/dbraw/zinc/04/58/54/1006045854.db2.gz WHNJMQWYUCHZHM-UHFFFAOYSA-N 2 1 424.564 3.839 20 0 HHADMP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000514579201 1006045863 /nfs/dbraw/zinc/04/58/63/1006045863.db2.gz WHNJMQWYUCHZHM-UHFFFAOYSA-N 2 1 424.564 3.839 20 0 HHADMP C[C@H](NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)c1ccc(F)c2ccccc21 ZINC000514626085 1006057384 /nfs/dbraw/zinc/05/73/84/1006057384.db2.gz ORZNYRABUKOBEX-KRWDZBQOSA-N 2 1 400.542 3.707 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000531317685 1006117664 /nfs/dbraw/zinc/11/76/64/1006117664.db2.gz HXARXOAUAGYIHJ-NRFANRHFSA-N 2 1 402.970 3.894 20 0 HHADMP C[NH+]1CCN(C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc2)CC1 ZINC000514838591 1006166879 /nfs/dbraw/zinc/16/68/79/1006166879.db2.gz TWAGAKALPBWRTG-XUJYPJAKSA-N 2 1 418.629 3.760 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Cc1ccc(-n2cccc2)cc1 ZINC000531427214 1006188157 /nfs/dbraw/zinc/18/81/57/1006188157.db2.gz SNZYCHYFTNCQTJ-UHFFFAOYSA-N 2 1 422.617 3.675 20 0 HHADMP C[NH+](C)CC1CCC(NC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534206984 1006200032 /nfs/dbraw/zinc/20/00/32/1006200032.db2.gz KIBOQRAZRJUXDD-OYMMLTSBSA-N 2 1 424.992 3.892 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000531453771 1006207077 /nfs/dbraw/zinc/20/70/77/1006207077.db2.gz GNYHHGNMQSTJFU-NFBKMPQASA-N 2 1 406.574 3.776 20 0 HHADMP O=C(C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)NCc1ccc(Cl)cc1 ZINC000534228451 1006226791 /nfs/dbraw/zinc/22/67/91/1006226791.db2.gz QCPNKDQESOGBNR-UHFFFAOYSA-N 2 1 411.977 3.944 20 0 HHADMP CC1CC[NH+](CCCNC(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534250097 1006257443 /nfs/dbraw/zinc/25/74/43/1006257443.db2.gz IJNTUNYTBZTDLO-NQIIRXRSSA-N 2 1 424.992 3.893 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccccc2OCCN2CCOCC2)cc1 ZINC000531696745 1006360872 /nfs/dbraw/zinc/36/08/72/1006360872.db2.gz FTOZCTKYGKEKDV-HXUWFJFHSA-N 2 1 420.557 3.743 20 0 HHADMP COCC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000531700847 1006364003 /nfs/dbraw/zinc/36/40/03/1006364003.db2.gz FAVAUQJXFZHRNA-ZDUSSCGKSA-N 2 1 421.891 3.776 20 0 HHADMP CC(C)COc1ccc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000515253929 1006364268 /nfs/dbraw/zinc/36/42/68/1006364268.db2.gz ASIMJGBVLWSHLU-NHCUHLMSSA-N 2 1 404.595 3.812 20 0 HHADMP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000531703909 1006366574 /nfs/dbraw/zinc/36/65/74/1006366574.db2.gz JMLOIMXVBCKKHL-MRXNPFEDSA-N 2 1 413.484 3.657 20 0 HHADMP CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000515389564 1006431742 /nfs/dbraw/zinc/43/17/42/1006431742.db2.gz IHPFAEVFUBIPOI-PZUNEJSGSA-N 2 1 420.601 3.686 20 0 HHADMP CC[NH+]1CCC[C@H](CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000515389564 1006431751 /nfs/dbraw/zinc/43/17/51/1006431751.db2.gz IHPFAEVFUBIPOI-PZUNEJSGSA-N 2 1 420.601 3.686 20 0 HHADMP CC[NH+]1CCC[C@H](CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000515389564 1006431760 /nfs/dbraw/zinc/43/17/60/1006431760.db2.gz IHPFAEVFUBIPOI-PZUNEJSGSA-N 2 1 420.601 3.686 20 0 HHADMP Clc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(-n2cncn2)c1 ZINC000515559964 1006536360 /nfs/dbraw/zinc/53/63/60/1006536360.db2.gz XHSPDEHVTPCRFO-FPOVZHCZSA-N 2 1 407.949 3.875 20 0 HHADMP Clc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(-n2cncn2)c1 ZINC000515559964 1006536368 /nfs/dbraw/zinc/53/63/68/1006536368.db2.gz XHSPDEHVTPCRFO-FPOVZHCZSA-N 2 1 407.949 3.875 20 0 HHADMP Clc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(-n2cncn2)c1 ZINC000515559964 1006536375 /nfs/dbraw/zinc/53/63/75/1006536375.db2.gz XHSPDEHVTPCRFO-FPOVZHCZSA-N 2 1 407.949 3.875 20 0 HHADMP Clc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(-n2cncn2)c1 ZINC000515559964 1006536381 /nfs/dbraw/zinc/53/63/81/1006536381.db2.gz XHSPDEHVTPCRFO-FPOVZHCZSA-N 2 1 407.949 3.875 20 0 HHADMP CCCOc1c(Cl)cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1OCC ZINC000532016086 1006577850 /nfs/dbraw/zinc/57/78/50/1006577850.db2.gz PLGJROULZYIOEY-PMACEKPBSA-N 2 1 410.986 3.995 20 0 HHADMP C[C@H]1C[C@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000532105696 1006639224 /nfs/dbraw/zinc/63/92/24/1006639224.db2.gz QKSWNNPUPZJJAA-URXFXBBRSA-N 2 1 406.618 3.970 20 0 HHADMP C[C@H]1C[C@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000532105696 1006639231 /nfs/dbraw/zinc/63/92/31/1006639231.db2.gz QKSWNNPUPZJJAA-URXFXBBRSA-N 2 1 406.618 3.970 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)NCCc1ccc(F)cc1 ZINC000515756235 1006645829 /nfs/dbraw/zinc/64/58/29/1006645829.db2.gz SGZKBQGKWFQNRF-VQTJNVASSA-N 2 1 411.565 3.895 20 0 HHADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c(C)c1 ZINC000532188767 1006707726 /nfs/dbraw/zinc/70/77/26/1006707726.db2.gz XZVLAHKKFHQLGJ-CTNGQTDRSA-N 2 1 414.619 3.660 20 0 HHADMP C[N@@H+]1CC[C@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000534830961 1006843405 /nfs/dbraw/zinc/84/34/05/1006843405.db2.gz CKJYSHCPTCALKQ-LEWJYISDSA-N 2 1 404.986 3.745 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000534830961 1006843421 /nfs/dbraw/zinc/84/34/21/1006843421.db2.gz CKJYSHCPTCALKQ-LEWJYISDSA-N 2 1 404.986 3.745 20 0 HHADMP CC[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000532442142 1006885326 /nfs/dbraw/zinc/88/53/26/1006885326.db2.gz SZJCBRODWWWHOW-RBUKOAKNSA-N 2 1 401.576 3.549 20 0 HHADMP COc1cc(C)c([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1OC ZINC000532442195 1006885946 /nfs/dbraw/zinc/88/59/46/1006885946.db2.gz GYOIKDXKVJZDGI-HKUYNNGSSA-N 2 1 403.592 3.713 20 0 HHADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)C[NH+]1CCCCC1 ZINC000516159439 1006922060 /nfs/dbraw/zinc/92/20/60/1006922060.db2.gz WZAMFSOTDOJMPI-SFTDATJTSA-N 2 1 400.611 3.982 20 0 HHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2)[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000538662954 1006938306 /nfs/dbraw/zinc/93/83/06/1006938306.db2.gz UDDSKNNNTFYHCF-JOCHJYFZSA-N 2 1 415.622 3.824 20 0 HHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCN3CCC[C@H](C[NH+]4CCC(C)CC4)C3)C2)CC1 ZINC000532512101 1006950105 /nfs/dbraw/zinc/95/01/05/1006950105.db2.gz VSCVSEXCYTWUMT-UIOOFZCWSA-N 3 1 418.714 3.874 20 0 HHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCN3CCC[C@H](C[NH+]4CCC(C)CC4)C3)C2)CC1 ZINC000532512101 1006950114 /nfs/dbraw/zinc/95/01/14/1006950114.db2.gz VSCVSEXCYTWUMT-UIOOFZCWSA-N 3 1 418.714 3.874 20 0 HHADMP C[NH+](C)C1(CNC(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCCC1 ZINC000534943342 1006985355 /nfs/dbraw/zinc/98/53/55/1006985355.db2.gz UHXBRLPIGQLWBI-QFBILLFUSA-N 2 1 410.965 3.646 20 0 HHADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000532556605 1006989690 /nfs/dbraw/zinc/98/96/90/1006989690.db2.gz QHNHCMYRSLEGQA-QFIPXVFZSA-N 2 1 403.574 3.603 20 0 HHADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000532556605 1006989696 /nfs/dbraw/zinc/98/96/96/1006989696.db2.gz QHNHCMYRSLEGQA-QFIPXVFZSA-N 2 1 403.574 3.603 20 0 HHADMP CCCCCOc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1OC ZINC000538723107 1006999045 /nfs/dbraw/zinc/99/90/45/1006999045.db2.gz JWSYAJCHUQDEQD-RBBKRZOGSA-N 2 1 403.611 3.722 20 0 HHADMP CCCCCOc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1OC ZINC000538723107 1006999059 /nfs/dbraw/zinc/99/90/59/1006999059.db2.gz JWSYAJCHUQDEQD-RBBKRZOGSA-N 2 1 403.611 3.722 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCC3(CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000534962178 1007011410 /nfs/dbraw/zinc/01/14/10/1007011410.db2.gz NSZDNZDHXAFVLE-QHCPKHFHSA-N 2 1 412.622 3.805 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000534962178 1007011423 /nfs/dbraw/zinc/01/14/23/1007011423.db2.gz NSZDNZDHXAFVLE-QHCPKHFHSA-N 2 1 412.622 3.805 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000534962178 1007011435 /nfs/dbraw/zinc/01/14/35/1007011435.db2.gz NSZDNZDHXAFVLE-QHCPKHFHSA-N 2 1 412.622 3.805 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](C/C=C/c2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000538734956 1007016027 /nfs/dbraw/zinc/01/60/27/1007016027.db2.gz OPTWPMVHUXPZRA-VMPITWQZSA-N 2 1 409.549 3.799 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC000538741031 1007025909 /nfs/dbraw/zinc/02/59/09/1007025909.db2.gz QYOHGEDELDRYMC-KRWDZBQOSA-N 2 1 410.484 3.675 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000534987231 1007045847 /nfs/dbraw/zinc/04/58/47/1007045847.db2.gz CDBJFWGZGWKIQA-XNWPKKHHSA-N 2 1 410.965 3.596 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC[NH+]1C ZINC000534987231 1007045861 /nfs/dbraw/zinc/04/58/61/1007045861.db2.gz CDBJFWGZGWKIQA-XNWPKKHHSA-N 2 1 410.965 3.596 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC[NH+]1C ZINC000534987231 1007045874 /nfs/dbraw/zinc/04/58/74/1007045874.db2.gz CDBJFWGZGWKIQA-XNWPKKHHSA-N 2 1 410.965 3.596 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534991205 1007050829 /nfs/dbraw/zinc/05/08/29/1007050829.db2.gz CLBLDTBDCKSYGA-WRWLIDTKSA-N 2 1 410.965 3.503 20 0 HHADMP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534991205 1007050842 /nfs/dbraw/zinc/05/08/42/1007050842.db2.gz CLBLDTBDCKSYGA-WRWLIDTKSA-N 2 1 410.965 3.503 20 0 HHADMP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534991205 1007050856 /nfs/dbraw/zinc/05/08/56/1007050856.db2.gz CLBLDTBDCKSYGA-WRWLIDTKSA-N 2 1 410.965 3.503 20 0 HHADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)N2CCC3(CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000534994469 1007053876 /nfs/dbraw/zinc/05/38/76/1007053876.db2.gz FMBFSRUYVNGEAK-DEOSSOPVSA-N 2 1 418.585 3.871 20 0 HHADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)N2CCC3(CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000534994469 1007053886 /nfs/dbraw/zinc/05/38/86/1007053886.db2.gz FMBFSRUYVNGEAK-DEOSSOPVSA-N 2 1 418.585 3.871 20 0 HHADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000534994469 1007053898 /nfs/dbraw/zinc/05/38/98/1007053898.db2.gz FMBFSRUYVNGEAK-DEOSSOPVSA-N 2 1 418.585 3.871 20 0 HHADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000534994469 1007053908 /nfs/dbraw/zinc/05/39/08/1007053908.db2.gz FMBFSRUYVNGEAK-DEOSSOPVSA-N 2 1 418.585 3.871 20 0 HHADMP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000532635573 1007055255 /nfs/dbraw/zinc/05/52/55/1007055255.db2.gz URMUAJCLSHXFBK-JOCHJYFZSA-N 2 1 422.573 3.797 20 0 HHADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000534997507 1007057620 /nfs/dbraw/zinc/05/76/20/1007057620.db2.gz MWMZJOSDBPWKDX-UXHICEINSA-N 2 1 417.619 3.665 20 0 HHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000538796212 1007077762 /nfs/dbraw/zinc/07/77/62/1007077762.db2.gz USOZYDAIGMJURR-KSEOMHKRSA-N 2 1 402.970 3.826 20 0 HHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000538796212 1007077778 /nfs/dbraw/zinc/07/77/78/1007077778.db2.gz USOZYDAIGMJURR-KSEOMHKRSA-N 2 1 402.970 3.826 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000538798088 1007078735 /nfs/dbraw/zinc/07/87/35/1007078735.db2.gz MWMGOUSAJMWFPY-SGNDLWITSA-N 2 1 417.557 3.618 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000538798088 1007078751 /nfs/dbraw/zinc/07/87/51/1007078751.db2.gz MWMGOUSAJMWFPY-SGNDLWITSA-N 2 1 417.557 3.618 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000538798089 1007079456 /nfs/dbraw/zinc/07/94/56/1007079456.db2.gz MWMGOUSAJMWFPY-SMIHKQSGSA-N 2 1 417.557 3.618 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000538798089 1007079471 /nfs/dbraw/zinc/07/94/71/1007079471.db2.gz MWMGOUSAJMWFPY-SMIHKQSGSA-N 2 1 417.557 3.618 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)c2)C1 ZINC000535089647 1007102938 /nfs/dbraw/zinc/10/29/38/1007102938.db2.gz STPMTWGKKNIADQ-GPXOXTDOSA-N 2 1 421.585 3.641 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+]([C@H](C)c3ccccc3)C2)CC1 ZINC000516578132 1007163672 /nfs/dbraw/zinc/16/36/72/1007163672.db2.gz OOIXDRCNWYHVNC-OFNKIYASSA-N 2 1 400.611 3.975 20 0 HHADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000516578132 1007163684 /nfs/dbraw/zinc/16/36/84/1007163684.db2.gz OOIXDRCNWYHVNC-OFNKIYASSA-N 2 1 400.611 3.975 20 0 HHADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000516578132 1007163698 /nfs/dbraw/zinc/16/36/98/1007163698.db2.gz OOIXDRCNWYHVNC-OFNKIYASSA-N 2 1 400.611 3.975 20 0 HHADMP CCC1(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000532813320 1007198724 /nfs/dbraw/zinc/19/87/24/1007198724.db2.gz CRTDCBUGZLYLIS-IFMALSPDSA-N 2 1 400.611 3.660 20 0 HHADMP Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000516625329 1007200248 /nfs/dbraw/zinc/20/02/48/1007200248.db2.gz FWRNRXBBEUBCFE-UHFFFAOYSA-N 2 1 411.506 3.657 20 0 HHADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(CCc2ccccc2)no1 ZINC000538944201 1007228742 /nfs/dbraw/zinc/22/87/42/1007228742.db2.gz PUNMXQLIOSOGFR-UHFFFAOYSA-N 2 1 405.546 3.988 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(CCc2ccccc2)no1 ZINC000538944201 1007228752 /nfs/dbraw/zinc/22/87/52/1007228752.db2.gz PUNMXQLIOSOGFR-UHFFFAOYSA-N 2 1 405.546 3.988 20 0 HHADMP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538945856 1007230245 /nfs/dbraw/zinc/23/02/45/1007230245.db2.gz SOBMSVJMWPDGDE-MRXNPFEDSA-N 2 1 402.489 3.925 20 0 HHADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000516685491 1007232078 /nfs/dbraw/zinc/23/20/78/1007232078.db2.gz WHAFMRWGKUIUGJ-GJZUVCINSA-N 2 1 407.602 3.573 20 0 HHADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)Nc2ccc3c(c2)OCO3)CC1)CC1CC1 ZINC000538950977 1007238768 /nfs/dbraw/zinc/23/87/68/1007238768.db2.gz SOPPVAPXFJTWHP-UHFFFAOYSA-N 2 1 401.551 3.578 20 0 HHADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)C(=O)N[C@@H](C)c3cccc4ccccc43)C2)CC1 ZINC000532986596 1007358097 /nfs/dbraw/zinc/35/80/97/1007358097.db2.gz FYULQXUKZDEANX-XJUOHMSHSA-N 2 1 422.617 3.506 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000535366296 1007424314 /nfs/dbraw/zinc/42/43/14/1007424314.db2.gz KBUOICXHIFAPEO-OYYPCOLYSA-N 2 1 406.574 3.642 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000535366296 1007424317 /nfs/dbraw/zinc/42/43/17/1007424317.db2.gz KBUOICXHIFAPEO-OYYPCOLYSA-N 2 1 406.574 3.642 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000535366296 1007424322 /nfs/dbraw/zinc/42/43/22/1007424322.db2.gz KBUOICXHIFAPEO-OYYPCOLYSA-N 2 1 406.574 3.642 20 0 HHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3ccc(Cl)c4cccnc34)CC2)C[C@@H](C)O1 ZINC000539147605 1007443234 /nfs/dbraw/zinc/44/32/34/1007443234.db2.gz KJUBIFNNADDWPM-QZTJIDSGSA-N 2 1 417.981 3.978 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000517140066 1007454476 /nfs/dbraw/zinc/45/44/76/1007454476.db2.gz BYJIOHNUJJBISX-QHCPKHFHSA-N 2 1 400.611 3.838 20 0 HHADMP C[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CCC[NH+](C)[C@H]2c2cccs2)[C@H]1c1ccccc1 ZINC000535399052 1007464557 /nfs/dbraw/zinc/46/45/57/1007464557.db2.gz UZMIPCXSXSSPDV-UGESXGAOSA-N 2 1 412.603 3.876 20 0 HHADMP C[NH+]1CC[C@@H](NC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)[C@H]1c1ccccc1 ZINC000535399052 1007464567 /nfs/dbraw/zinc/46/45/67/1007464567.db2.gz UZMIPCXSXSSPDV-UGESXGAOSA-N 2 1 412.603 3.876 20 0 HHADMP C[NH+]1CC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[C@H]1c1ccccc1 ZINC000535399052 1007464579 /nfs/dbraw/zinc/46/45/79/1007464579.db2.gz UZMIPCXSXSSPDV-UGESXGAOSA-N 2 1 412.603 3.876 20 0 HHADMP C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000533240535 1007560719 /nfs/dbraw/zinc/56/07/19/1007560719.db2.gz YAIQYAXGVSFBAY-OAQYLSRUSA-N 2 1 421.585 3.649 20 0 HHADMP Cc1ccc(NC(=O)NC(=O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(C)c1 ZINC000533275128 1007587581 /nfs/dbraw/zinc/58/75/81/1007587581.db2.gz AIMZRAKZBWSFSI-UHFFFAOYSA-N 2 1 422.573 3.796 20 0 HHADMP CC[C@H](N[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000539315227 1007613733 /nfs/dbraw/zinc/61/37/33/1007613733.db2.gz UFTFQCOOHVBDKL-NBCNXNJRSA-N 2 1 401.501 3.785 20 0 HHADMP CC[C@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000539315227 1007613746 /nfs/dbraw/zinc/61/37/46/1007613746.db2.gz UFTFQCOOHVBDKL-NBCNXNJRSA-N 2 1 401.501 3.785 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C(=O)N1c1ccccc1 ZINC000539393252 1007698804 /nfs/dbraw/zinc/69/88/04/1007698804.db2.gz SATZVJOUZUAUKP-COPCDDAFSA-N 2 1 405.542 3.758 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C(=O)N1c1ccccc1 ZINC000539393256 1007698877 /nfs/dbraw/zinc/69/88/77/1007698877.db2.gz SATZVJOUZUAUKP-STZQEDGTSA-N 2 1 405.542 3.758 20 0 HHADMP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535699946 1007735767 /nfs/dbraw/zinc/73/57/67/1007735767.db2.gz KVSINEKRAILDBA-OXJNMPFZSA-N 2 1 410.965 3.644 20 0 HHADMP C[NH+](C)CCC1CCN(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535699974 1007735869 /nfs/dbraw/zinc/73/58/69/1007735869.db2.gz KZZGCKVDMCPPHD-NQIIRXRSSA-N 2 1 424.992 3.845 20 0 HHADMP C[C@H](CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)[NH+]1CCC[C@@H](C)C1 ZINC000535705513 1007744538 /nfs/dbraw/zinc/74/45/38/1007744538.db2.gz SBQVWTBKWDFHOM-FGZHOGPDSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@H](CNC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000535705513 1007744547 /nfs/dbraw/zinc/74/45/47/1007744547.db2.gz SBQVWTBKWDFHOM-FGZHOGPDSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@H](CNC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000535705513 1007744563 /nfs/dbraw/zinc/74/45/63/1007744563.db2.gz SBQVWTBKWDFHOM-FGZHOGPDSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H](CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)[NH+]1CCC[C@H](C)C1 ZINC000535705514 1007744664 /nfs/dbraw/zinc/74/46/64/1007744664.db2.gz SBQVWTBKWDFHOM-VXKWHMMOSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H](CNC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000535705514 1007744678 /nfs/dbraw/zinc/74/46/78/1007744678.db2.gz SBQVWTBKWDFHOM-VXKWHMMOSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H](CNC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000535705514 1007744691 /nfs/dbraw/zinc/74/46/91/1007744691.db2.gz SBQVWTBKWDFHOM-VXKWHMMOSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000517540346 1007757251 /nfs/dbraw/zinc/75/72/51/1007757251.db2.gz XITRFOCPEJIWOP-HYBUGGRVSA-N 2 1 424.564 3.879 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000517540346 1007757272 /nfs/dbraw/zinc/75/72/72/1007757272.db2.gz XITRFOCPEJIWOP-HYBUGGRVSA-N 2 1 424.564 3.879 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000517540346 1007757292 /nfs/dbraw/zinc/75/72/92/1007757292.db2.gz XITRFOCPEJIWOP-HYBUGGRVSA-N 2 1 424.564 3.879 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000517540346 1007757297 /nfs/dbraw/zinc/75/72/97/1007757297.db2.gz XITRFOCPEJIWOP-HYBUGGRVSA-N 2 1 424.564 3.879 20 0 HHADMP CC[NH+](CC)Cc1cccc(CNC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)c1 ZINC000517592859 1007794189 /nfs/dbraw/zinc/79/41/89/1007794189.db2.gz GRLBRSRRAGXDKJ-UHFFFAOYSA-N 2 1 414.619 3.822 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCCOc2cccc3ccccc32)CC1 ZINC000517650988 1007863179 /nfs/dbraw/zinc/86/31/79/1007863179.db2.gz ZFJRUHWIKBBSIQ-UHFFFAOYSA-N 2 1 404.514 3.784 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000517653462 1007866427 /nfs/dbraw/zinc/86/64/27/1007866427.db2.gz UYLAGFOJBAEKGY-ISKFKSNPSA-N 2 1 420.601 3.541 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H](Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)[C@H](C)C1 ZINC000539627180 1007943742 /nfs/dbraw/zinc/94/37/42/1007943742.db2.gz MUYGDGFKVOJYTE-PXDATVDWSA-N 2 1 414.638 3.768 20 0 HHADMP CCN1CC[NH+](Cc2ccc(N[C@@H](C)c3cccc(OCC[NH+](C)C)c3)cc2)CC1 ZINC000539636687 1007953043 /nfs/dbraw/zinc/95/30/43/1007953043.db2.gz HKQAYIUIWUHOSL-NRFANRHFSA-N 2 1 410.606 3.938 20 0 HHADMP Cc1cccc([C@H]2CC[N@@H+](CC(=O)NC3CC[NH+](Cc4ccccc4C)CC3)C2)c1 ZINC000517777160 1007959884 /nfs/dbraw/zinc/95/98/84/1007959884.db2.gz CJZSODBKKDPTEY-DEOSSOPVSA-N 2 1 405.586 3.874 20 0 HHADMP COc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)[NH+]2CCCCC2)cc1 ZINC000517884296 1008028306 /nfs/dbraw/zinc/02/83/06/1008028306.db2.gz NVNBHBXJHNEJAY-NFBKMPQASA-N 2 1 416.610 3.642 20 0 HHADMP COc1cc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc(Cl)c1OC ZINC000539825939 1008121099 /nfs/dbraw/zinc/12/10/99/1008121099.db2.gz YQRUIPSQRHVPBU-UHFFFAOYSA-N 2 1 424.029 3.985 20 0 HHADMP COC(=O)CCn1nc(C)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1C ZINC000539832705 1008125948 /nfs/dbraw/zinc/12/59/48/1008125948.db2.gz ZOIZYIUFUGCTLV-RUZDIDTESA-N 2 1 424.589 3.551 20 0 HHADMP COC(=O)CCn1nc(C)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1C ZINC000539832705 1008125952 /nfs/dbraw/zinc/12/59/52/1008125952.db2.gz ZOIZYIUFUGCTLV-RUZDIDTESA-N 2 1 424.589 3.551 20 0 HHADMP COC(=O)CCn1nc(C)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1C ZINC000539832705 1008125954 /nfs/dbraw/zinc/12/59/54/1008125954.db2.gz ZOIZYIUFUGCTLV-RUZDIDTESA-N 2 1 424.589 3.551 20 0 HHADMP COC(=O)CCn1nc(C)c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1C ZINC000539832705 1008125956 /nfs/dbraw/zinc/12/59/56/1008125956.db2.gz ZOIZYIUFUGCTLV-RUZDIDTESA-N 2 1 424.589 3.551 20 0 HHADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2cnc3ccc(Br)cn23)CC1 ZINC000539851986 1008141123 /nfs/dbraw/zinc/14/11/23/1008141123.db2.gz IXFMZKGOQANBKS-UHFFFAOYSA-N 2 1 423.399 3.667 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnc3ccc(Br)cn23)CC1 ZINC000539851986 1008141125 /nfs/dbraw/zinc/14/11/25/1008141125.db2.gz IXFMZKGOQANBKS-UHFFFAOYSA-N 2 1 423.399 3.667 20 0 HHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-n4cnc5ccccc54)cc3)C2)CC1 ZINC000539862564 1008147558 /nfs/dbraw/zinc/14/75/58/1008147558.db2.gz LUUSYOWDGPSAHP-QHCPKHFHSA-N 2 1 403.574 3.626 20 0 HHADMP CC(C)OCC[NH+]1CCN(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)CC1 ZINC000539873162 1008153633 /nfs/dbraw/zinc/15/36/33/1008153633.db2.gz FMEMIATXUXDVCA-UHFFFAOYSA-N 2 1 416.610 3.536 20 0 HHADMP C[C@@H]1C[N@@H+]([C@@H]2CCCc3ccc(Br)cc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000539886767 1008162614 /nfs/dbraw/zinc/16/26/14/1008162614.db2.gz OCBQCVVSOHCIIJ-MAODMQOUSA-N 2 1 406.412 3.784 20 0 HHADMP C[C@@H]1C[N@H+]([C@@H]2CCCc3ccc(Br)cc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000539886767 1008162618 /nfs/dbraw/zinc/16/26/18/1008162618.db2.gz OCBQCVVSOHCIIJ-MAODMQOUSA-N 2 1 406.412 3.784 20 0 HHADMP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000539928462 1008189262 /nfs/dbraw/zinc/18/92/62/1008189262.db2.gz HHLKCAJCNIMWSX-DEOSSOPVSA-N 2 1 407.558 3.809 20 0 HHADMP COc1cccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)[NH+]2CCCC2)c1 ZINC000533955806 1008231849 /nfs/dbraw/zinc/23/18/49/1008231849.db2.gz SPJBNXJAAXXMKO-KMDXXIMOSA-N 2 1 422.573 3.577 20 0 HHADMP COc1cccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)[NH+]2CCCC2)c1 ZINC000533955805 1008231916 /nfs/dbraw/zinc/23/19/16/1008231916.db2.gz SPJBNXJAAXXMKO-HJOGWXRNSA-N 2 1 422.573 3.577 20 0 HHADMP COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045057 1008254260 /nfs/dbraw/zinc/25/42/60/1008254260.db2.gz AVMQTXYASWZQKF-IBGZPJMESA-N 2 1 410.562 3.964 20 0 HHADMP C[C@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000518389973 1008285854 /nfs/dbraw/zinc/28/58/54/1008285854.db2.gz LCLVZWLBUVBUSE-NFBKMPQASA-N 2 1 409.574 3.876 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000518431979 1008302994 /nfs/dbraw/zinc/30/29/94/1008302994.db2.gz HQNQJJDSJMIOIP-UHFFFAOYSA-N 2 1 401.595 3.683 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000540158582 1008315999 /nfs/dbraw/zinc/31/59/99/1008315999.db2.gz ZREGZBBGXIMAKL-ZLIFDBKOSA-N 2 1 420.447 3.918 20 0 HHADMP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C1 ZINC000518458883 1008316601 /nfs/dbraw/zinc/31/66/01/1008316601.db2.gz IUCFPGDUJMHRTK-QGZVFWFLSA-N 2 1 422.564 3.739 20 0 HHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C1 ZINC000518458883 1008316606 /nfs/dbraw/zinc/31/66/06/1008316606.db2.gz IUCFPGDUJMHRTK-QGZVFWFLSA-N 2 1 422.564 3.739 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000540204116 1008334956 /nfs/dbraw/zinc/33/49/56/1008334956.db2.gz KKTHKURJUPMKCL-PKTZIBPZSA-N 2 1 401.570 3.584 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1F ZINC000518522033 1008336705 /nfs/dbraw/zinc/33/67/05/1008336705.db2.gz ZVYVQDHQTCNCEY-UHFFFAOYSA-N 2 1 409.509 3.593 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1F ZINC000518521988 1008336760 /nfs/dbraw/zinc/33/67/60/1008336760.db2.gz WFQMTIDTTPYTGS-NRFANRHFSA-N 2 1 421.520 3.784 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000518521988 1008336761 /nfs/dbraw/zinc/33/67/61/1008336761.db2.gz WFQMTIDTTPYTGS-NRFANRHFSA-N 2 1 421.520 3.784 20 0 HHADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCCOc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000540245614 1008351062 /nfs/dbraw/zinc/35/10/62/1008351062.db2.gz ZFUGXCIYUYLJEU-OALUTQOASA-N 2 1 410.986 3.699 20 0 HHADMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000518573422 1008351257 /nfs/dbraw/zinc/35/12/57/1008351257.db2.gz POLVOUQPXFGGGG-JTHBVZDNSA-N 2 1 421.585 3.922 20 0 HHADMP COc1ccc(OC)c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000518573675 1008351437 /nfs/dbraw/zinc/35/14/37/1008351437.db2.gz XFFAMVACWKHJLO-JOCHJYFZSA-N 2 1 410.558 3.722 20 0 HHADMP COc1ccc(OC)c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000518573675 1008351440 /nfs/dbraw/zinc/35/14/40/1008351440.db2.gz XFFAMVACWKHJLO-JOCHJYFZSA-N 2 1 410.558 3.722 20 0 HHADMP O[C@@]1(C[NH2+][C@H]2CCc3c2cccc3Br)CC[N@H+](Cc2ccccc2)C1 ZINC000540316776 1008377187 /nfs/dbraw/zinc/37/71/87/1008377187.db2.gz RCPPEHIDTVMZIY-LEWJYISDSA-N 2 1 401.348 3.663 20 0 HHADMP O[C@@]1(C[NH2+][C@H]2CCc3c2cccc3Br)CC[N@@H+](Cc2ccccc2)C1 ZINC000540316776 1008377191 /nfs/dbraw/zinc/37/71/91/1008377191.db2.gz RCPPEHIDTVMZIY-LEWJYISDSA-N 2 1 401.348 3.663 20 0 HHADMP Cc1sc2nc([C@H](C)[NH+]3CCC(OCC[NH+]4CCCC4)CC3)nc(N)c2c1C ZINC000540348983 1008391998 /nfs/dbraw/zinc/39/19/98/1008391998.db2.gz HRRLSGGWJXGLFJ-HNNXBMFYSA-N 2 1 403.596 3.528 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]C2CC(c3ccccc3F)C2)c1 ZINC000543066634 1008643603 /nfs/dbraw/zinc/64/36/03/1008643603.db2.gz KUIIAPCQSSZGKG-UHFFFAOYSA-N 2 1 411.521 3.522 20 0 HHADMP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCc2sccc2C1 ZINC000519269683 1008677934 /nfs/dbraw/zinc/67/79/34/1008677934.db2.gz LHCNLHNWLDVRKP-DBXWQHBBSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@H](CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCc2sccc2C1 ZINC000519269683 1008677947 /nfs/dbraw/zinc/67/79/47/1008677947.db2.gz LHCNLHNWLDVRKP-DBXWQHBBSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1)[N@@H+]1CCc2sccc2C1 ZINC000519269683 1008677959 /nfs/dbraw/zinc/67/79/59/1008677959.db2.gz LHCNLHNWLDVRKP-DBXWQHBBSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1)[N@H+]1CCc2sccc2C1 ZINC000519269683 1008677972 /nfs/dbraw/zinc/67/79/72/1008677972.db2.gz LHCNLHNWLDVRKP-DBXWQHBBSA-N 2 1 412.603 3.629 20 0 HHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000549164578 1008735563 /nfs/dbraw/zinc/73/55/63/1008735563.db2.gz ICQLCCQGZPKXQF-YKSBVNFPSA-N 2 1 407.558 3.798 20 0 HHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000549164578 1008735578 /nfs/dbraw/zinc/73/55/78/1008735578.db2.gz ICQLCCQGZPKXQF-YKSBVNFPSA-N 2 1 407.558 3.798 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)[C@H](C)C1 ZINC000549204272 1008775876 /nfs/dbraw/zinc/77/58/76/1008775876.db2.gz GSJJVAWKWIXWHH-BAGYTPMASA-N 2 1 400.611 3.659 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[C@H](C)C1 ZINC000549204272 1008775887 /nfs/dbraw/zinc/77/58/87/1008775887.db2.gz GSJJVAWKWIXWHH-BAGYTPMASA-N 2 1 400.611 3.659 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[C@H](C)C1 ZINC000549204272 1008775894 /nfs/dbraw/zinc/77/58/94/1008775894.db2.gz GSJJVAWKWIXWHH-BAGYTPMASA-N 2 1 400.611 3.659 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2sccc2Cl)CC1)Cc1ccccc1 ZINC000549350394 1008929813 /nfs/dbraw/zinc/92/98/13/1008929813.db2.gz WHXFKPVIKKQVLV-UHFFFAOYSA-N 2 1 405.995 3.862 20 0 HHADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000546009760 1009045195 /nfs/dbraw/zinc/04/51/95/1009045195.db2.gz SKWGTEZFYNXFHG-FGZHOGPDSA-N 2 1 411.594 3.776 20 0 HHADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000546009760 1009045210 /nfs/dbraw/zinc/04/52/10/1009045210.db2.gz SKWGTEZFYNXFHG-FGZHOGPDSA-N 2 1 411.594 3.776 20 0 HHADMP C[NH+](C)C1(CNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCCCCC1 ZINC000519940227 1009093254 /nfs/dbraw/zinc/09/32/54/1009093254.db2.gz WOKDDZHSZRFYOF-LJQANCHMSA-N 2 1 406.640 3.914 20 0 HHADMP COc1ccc([C@H](CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)[NH+]2CCCCC2)cc1 ZINC000520202257 1009339794 /nfs/dbraw/zinc/33/97/94/1009339794.db2.gz QOIORHMPXMWXCF-QFIPXVFZSA-N 2 1 416.610 3.738 20 0 HHADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000520212044 1009345939 /nfs/dbraw/zinc/34/59/39/1009345939.db2.gz DNNICVHKETYEIQ-UHFFFAOYSA-N 2 1 401.308 3.718 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000543812302 1009375504 /nfs/dbraw/zinc/37/55/04/1009375504.db2.gz BPNOBSWXIXJCDG-UXHICEINSA-N 2 1 417.557 3.569 20 0 HHADMP CCO[C@@H]1C[C@H]([N@@H+](C)CC2(C[NH+](C)[C@@H]3C[C@H](OCC)C34CCC4)COC2)C12CCC2 ZINC000543859942 1009426486 /nfs/dbraw/zinc/42/64/86/1009426486.db2.gz KURIAZDCAZAZHE-ZDNVTZCJSA-N 2 1 420.638 3.562 20 0 HHADMP CCO[C@@H]1C[C@H]([NH+](C)CC2(C[N@H+](C)[C@@H]3C[C@H](OCC)C34CCC4)COC2)C12CCC2 ZINC000543859942 1009426494 /nfs/dbraw/zinc/42/64/94/1009426494.db2.gz KURIAZDCAZAZHE-ZDNVTZCJSA-N 2 1 420.638 3.562 20 0 HHADMP CCO[C@@H]1C[C@H]([NH+](C)CC2(C[N@@H+](C)[C@@H]3C[C@H](OCC)C34CCC4)COC2)C12CCC2 ZINC000543859942 1009426499 /nfs/dbraw/zinc/42/64/99/1009426499.db2.gz KURIAZDCAZAZHE-ZDNVTZCJSA-N 2 1 420.638 3.562 20 0 HHADMP C[C@@H](c1ccc(NC(=O)NCCC[N@H+](C)Cc2ccccc2)cc1)[NH+]1CCOCC1 ZINC000520330886 1009463260 /nfs/dbraw/zinc/46/32/60/1009463260.db2.gz BFMFUIGGTVVKCL-FQEVSTJZSA-N 2 1 410.562 3.723 20 0 HHADMP C[C@@H](c1ccc(NC(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1)[NH+]1CCOCC1 ZINC000520330886 1009463268 /nfs/dbraw/zinc/46/32/68/1009463268.db2.gz BFMFUIGGTVVKCL-FQEVSTJZSA-N 2 1 410.562 3.723 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[NH+](C)C ZINC000520405147 1009536308 /nfs/dbraw/zinc/53/63/08/1009536308.db2.gz JRSLTLZQMKOFGO-QFIPXVFZSA-N 2 1 416.610 3.596 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[NH+](C)C ZINC000520405147 1009536325 /nfs/dbraw/zinc/53/63/25/1009536325.db2.gz JRSLTLZQMKOFGO-QFIPXVFZSA-N 2 1 416.610 3.596 20 0 HHADMP C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000543998237 1009599231 /nfs/dbraw/zinc/59/92/31/1009599231.db2.gz PDUWOMXHFMVCAC-ROUUACIJSA-N 2 1 400.567 3.606 20 0 HHADMP CCC[NH+]1CCC[C@@H]1C(=O)Nc1ccccc1[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000544041173 1009643061 /nfs/dbraw/zinc/64/30/61/1009643061.db2.gz ABTQMTCBPTUKFF-VLCRHTCISA-N 2 1 414.594 3.551 20 0 HHADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)c1ccccc1NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000544041173 1009643070 /nfs/dbraw/zinc/64/30/70/1009643070.db2.gz ABTQMTCBPTUKFF-VLCRHTCISA-N 2 1 414.594 3.551 20 0 HHADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)c1ccccc1NC(=O)[C@H]1CCC[N@H+]1CCC ZINC000544041173 1009643077 /nfs/dbraw/zinc/64/30/77/1009643077.db2.gz ABTQMTCBPTUKFF-VLCRHTCISA-N 2 1 414.594 3.551 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)C1 ZINC000520613114 1009688810 /nfs/dbraw/zinc/68/88/10/1009688810.db2.gz RNAFPBWXBQDZTO-NHCUHLMSSA-N 2 1 400.611 3.981 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1 ZINC000520613114 1009688824 /nfs/dbraw/zinc/68/88/24/1009688824.db2.gz RNAFPBWXBQDZTO-NHCUHLMSSA-N 2 1 400.611 3.981 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000520613114 1009688840 /nfs/dbraw/zinc/68/88/40/1009688840.db2.gz RNAFPBWXBQDZTO-NHCUHLMSSA-N 2 1 400.611 3.981 20 0 HHADMP C[N@H+]1CCN(CCC[NH2+]Cc2conc2Cc2ccccc2)[C@H](c2ccccc2)C1 ZINC000550097481 1009699771 /nfs/dbraw/zinc/69/97/71/1009699771.db2.gz QSRPPIFQJIVTRY-VWLOTQADSA-N 2 1 404.558 3.734 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000544093684 1009702688 /nfs/dbraw/zinc/70/26/88/1009702688.db2.gz NWUDLYSCPHGHIC-HXUWFJFHSA-N 2 1 407.480 3.732 20 0 HHADMP C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000550105656 1009704859 /nfs/dbraw/zinc/70/48/59/1009704859.db2.gz QNKREZHGSOICSJ-SXPAWZJZSA-N 2 1 421.560 3.942 20 0 HHADMP C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000550105656 1009704869 /nfs/dbraw/zinc/70/48/69/1009704869.db2.gz QNKREZHGSOICSJ-SXPAWZJZSA-N 2 1 421.560 3.942 20 0 HHADMP C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000550105656 1009704880 /nfs/dbraw/zinc/70/48/80/1009704880.db2.gz QNKREZHGSOICSJ-SXPAWZJZSA-N 2 1 421.560 3.942 20 0 HHADMP CCOc1cc2[nH+]ccc(N3CC[NH+](Cc4c(C)noc4C)CC3)c2cc1OCC ZINC000520629916 1009707714 /nfs/dbraw/zinc/70/77/14/1009707714.db2.gz OEXNXZOURVYBDC-UHFFFAOYSA-N 2 1 410.518 3.959 20 0 HHADMP NC(=O)[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Br)cc1 ZINC000520634324 1009711121 /nfs/dbraw/zinc/71/11/21/1009711121.db2.gz ADLDKQZQNZXZMD-HXUWFJFHSA-N 2 1 416.363 3.751 20 0 HHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000546873446 1009834831 /nfs/dbraw/zinc/83/48/31/1009834831.db2.gz XGQFJWYAYVOGAD-QFIPXVFZSA-N 2 1 414.981 3.551 20 0 HHADMP C[NH+](C)CCOc1ccc(CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cc1 ZINC000544237771 1009850022 /nfs/dbraw/zinc/85/00/22/1009850022.db2.gz ZFAZASXMEMBCRP-NRFANRHFSA-N 2 1 424.589 3.750 20 0 HHADMP COCCn1cc2c(n1)[C@H]([NH2+][C@@H]1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)CCC2 ZINC000546936188 1009894688 /nfs/dbraw/zinc/89/46/88/1009894688.db2.gz VRDHTHSZMZVNNW-IQFVJIFQSA-N 2 1 408.590 3.797 20 0 HHADMP COCCn1cc2c(n1)[C@H]([NH2+][C@@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CCC2 ZINC000546936188 1009894706 /nfs/dbraw/zinc/89/47/06/1009894706.db2.gz VRDHTHSZMZVNNW-IQFVJIFQSA-N 2 1 408.590 3.797 20 0 HHADMP C[C@H](CNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000520842984 1009897905 /nfs/dbraw/zinc/89/79/05/1009897905.db2.gz BJXHLQHFNWGJDI-JXALWOEJSA-N 2 1 406.574 3.568 20 0 HHADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000520842984 1009897922 /nfs/dbraw/zinc/89/79/22/1009897922.db2.gz BJXHLQHFNWGJDI-JXALWOEJSA-N 2 1 406.574 3.568 20 0 HHADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000520842984 1009897941 /nfs/dbraw/zinc/89/79/41/1009897941.db2.gz BJXHLQHFNWGJDI-JXALWOEJSA-N 2 1 406.574 3.568 20 0 HHADMP Cc1cc([C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c2cccnc2)ccc1F ZINC000544386012 1010007987 /nfs/dbraw/zinc/00/79/87/1010007987.db2.gz LVUBEBRSKORUPY-ILBGXUMGSA-N 2 1 405.517 3.975 20 0 HHADMP Cc1cc([C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2cccnc2)ccc1F ZINC000544386012 1010007997 /nfs/dbraw/zinc/00/79/97/1010007997.db2.gz LVUBEBRSKORUPY-ILBGXUMGSA-N 2 1 405.517 3.975 20 0 HHADMP CC1CC[NH+](C[C@H](O)CNC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000520985371 1010025447 /nfs/dbraw/zinc/02/54/47/1010025447.db2.gz UZHYYIMCLVMIDK-JOCHJYFZSA-N 2 1 416.610 3.665 20 0 HHADMP C[C@H]([NH2+]CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544424477 1010046467 /nfs/dbraw/zinc/04/64/67/1010046467.db2.gz MRSSQRDRZWTQDW-KBPBESRZSA-N 2 1 423.483 3.763 20 0 HHADMP C[C@H]([NH2+]CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544424477 1010046479 /nfs/dbraw/zinc/04/64/79/1010046479.db2.gz MRSSQRDRZWTQDW-KBPBESRZSA-N 2 1 423.483 3.763 20 0 HHADMP Cc1cc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n(-c2ccc(C)cc2)n1 ZINC000544425236 1010047490 /nfs/dbraw/zinc/04/74/90/1010047490.db2.gz VAMOPRVCJHEAIF-VQTJNVASSA-N 2 1 409.578 3.670 20 0 HHADMP Cc1cc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n(-c2ccc(C)cc2)n1 ZINC000544425236 1010047505 /nfs/dbraw/zinc/04/75/05/1010047505.db2.gz VAMOPRVCJHEAIF-VQTJNVASSA-N 2 1 409.578 3.670 20 0 HHADMP C[NH+](C)[C@@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000521041977 1010069779 /nfs/dbraw/zinc/06/97/79/1010069779.db2.gz HOEIASAUWHYQCE-HSZRJFAPSA-N 2 1 408.546 3.743 20 0 HHADMP c1ccc(C[N@@H+]2CCO[C@@H](c3nc(-c4cccc(C[NH+]5CCCC5)c4)no3)C2)cc1 ZINC000544632747 1010255426 /nfs/dbraw/zinc/25/54/26/1010255426.db2.gz APWITPHVYACQMR-JOCHJYFZSA-N 2 1 404.514 3.906 20 0 HHADMP c1ccc(C[N@H+]2CCO[C@@H](c3nc(-c4cccc(C[NH+]5CCCC5)c4)no3)C2)cc1 ZINC000544632747 1010255433 /nfs/dbraw/zinc/25/54/33/1010255433.db2.gz APWITPHVYACQMR-JOCHJYFZSA-N 2 1 404.514 3.906 20 0 HHADMP C[C@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547508240 1010333516 /nfs/dbraw/zinc/33/35/16/1010333516.db2.gz DOGLONPTPQVJMI-QTGUNEKASA-N 2 1 419.548 3.899 20 0 HHADMP CC[C@@H]1CN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000544790907 1010385853 /nfs/dbraw/zinc/38/58/53/1010385853.db2.gz MSNCWQHBQXUXPK-JOCHJYFZSA-N 2 1 410.562 3.755 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[NH+]1CCc2sccc2C1 ZINC000521471180 1010392943 /nfs/dbraw/zinc/39/29/43/1010392943.db2.gz OXJMNANOMRFOEI-IBGZPJMESA-N 2 1 418.651 3.792 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[NH+]1CCc2sccc2C1 ZINC000521471180 1010392954 /nfs/dbraw/zinc/39/29/54/1010392954.db2.gz OXJMNANOMRFOEI-IBGZPJMESA-N 2 1 418.651 3.792 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[NH+](CC2CCCCC2)CC1)[N@@H+]1CCc2sccc2C1 ZINC000521471180 1010392968 /nfs/dbraw/zinc/39/29/68/1010392968.db2.gz OXJMNANOMRFOEI-IBGZPJMESA-N 2 1 418.651 3.792 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[NH+](CC2CCCCC2)CC1)[N@H+]1CCc2sccc2C1 ZINC000521471180 1010392976 /nfs/dbraw/zinc/39/29/76/1010392976.db2.gz OXJMNANOMRFOEI-IBGZPJMESA-N 2 1 418.651 3.792 20 0 HHADMP Cc1ccc([C@H](CNC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)[NH+](C)C)cc1 ZINC000521485188 1010404425 /nfs/dbraw/zinc/40/44/25/1010404425.db2.gz DXWPNUWLMGHNIY-SKPFHBQLSA-N 2 1 409.574 3.637 20 0 HHADMP C[NH+](C)CCN1CCC(C[NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000544832025 1010422648 /nfs/dbraw/zinc/42/26/48/1010422648.db2.gz IFLNUFUDFYDFSL-HSZRJFAPSA-N 2 1 400.998 3.882 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CC[NH+](CC4CCCCC4)CC3)cc2)C[C@H](C)O1 ZINC000521508394 1010422875 /nfs/dbraw/zinc/42/28/75/1010422875.db2.gz NNVDWMFPFNUSBK-OYRHEFFESA-N 2 1 413.606 3.634 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CC[NH+](CC4CCCCC4)CC3)cc2)C[C@H](C)O1 ZINC000521508394 1010422882 /nfs/dbraw/zinc/42/28/82/1010422882.db2.gz NNVDWMFPFNUSBK-OYRHEFFESA-N 2 1 413.606 3.634 20 0 HHADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000547862846 1010456063 /nfs/dbraw/zinc/45/60/63/1010456063.db2.gz XSVZFIQKYSWKBB-FGZHOGPDSA-N 2 1 409.578 3.530 20 0 HHADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000547862846 1010456068 /nfs/dbraw/zinc/45/60/68/1010456068.db2.gz XSVZFIQKYSWKBB-FGZHOGPDSA-N 2 1 409.578 3.530 20 0 HHADMP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000544897929 1010473705 /nfs/dbraw/zinc/47/37/05/1010473705.db2.gz ILRFUGOGKNIIQS-IBGZPJMESA-N 2 1 407.624 3.634 20 0 HHADMP O=C1CC[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c2ccccc2N1 ZINC000551264826 1010481220 /nfs/dbraw/zinc/48/12/20/1010481220.db2.gz OGUGNBLALAWFON-JTHBVZDNSA-N 2 1 419.569 3.978 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(C(=O)OC)cc2F)CC1 ZINC000548423250 1010622085 /nfs/dbraw/zinc/62/20/85/1010622085.db2.gz BIUKBSGBQFKPQC-INIZCTEOSA-N 2 1 417.500 3.744 20 0 HHADMP CCN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548441714 1010628186 /nfs/dbraw/zinc/62/81/86/1010628186.db2.gz MQCFVPGTKFKVKO-VWLOTQADSA-N 2 1 420.601 3.957 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548487168 1010643851 /nfs/dbraw/zinc/64/38/51/1010643851.db2.gz BBYHXRGQHIOTBL-CVJWPJSTSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC[C@H]1CO)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548487168 1010643855 /nfs/dbraw/zinc/64/38/55/1010643855.db2.gz BBYHXRGQHIOTBL-CVJWPJSTSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC[C@H]1CO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548487168 1010643861 /nfs/dbraw/zinc/64/38/61/1010643861.db2.gz BBYHXRGQHIOTBL-CVJWPJSTSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548487168 1010643865 /nfs/dbraw/zinc/64/38/65/1010643865.db2.gz BBYHXRGQHIOTBL-CVJWPJSTSA-N 2 1 407.602 3.644 20 0 HHADMP C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548487168 1010643870 /nfs/dbraw/zinc/64/38/70/1010643870.db2.gz BBYHXRGQHIOTBL-CVJWPJSTSA-N 2 1 407.602 3.644 20 0 HHADMP C[C@H](NCc1ccccc1C[NH+]1CCC[C@H]1CO)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548487168 1010643877 /nfs/dbraw/zinc/64/38/77/1010643877.db2.gz BBYHXRGQHIOTBL-CVJWPJSTSA-N 2 1 407.602 3.644 20 0 HHADMP C[C@H](NCc1ccccc1C[NH+]1CCC[C@H]1CO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548487168 1010643882 /nfs/dbraw/zinc/64/38/82/1010643882.db2.gz BBYHXRGQHIOTBL-CVJWPJSTSA-N 2 1 407.602 3.644 20 0 HHADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000545159645 1010657438 /nfs/dbraw/zinc/65/74/38/1010657438.db2.gz VNBLLRLKFPEDHJ-QRWLVFNGSA-N 2 1 405.336 3.959 20 0 HHADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000545159645 1010657442 /nfs/dbraw/zinc/65/74/42/1010657442.db2.gz VNBLLRLKFPEDHJ-QRWLVFNGSA-N 2 1 405.336 3.959 20 0 HHADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCC[NH+]2Cc2cccc(Cl)c2)C1 ZINC000521875438 1010679438 /nfs/dbraw/zinc/67/94/38/1010679438.db2.gz BOOCRRFIEKHXHC-TZIWHRDSSA-N 2 1 407.002 3.726 20 0 HHADMP CCC[NH+]1CC[C@H](CNC(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC000521875438 1010679447 /nfs/dbraw/zinc/67/94/47/1010679447.db2.gz BOOCRRFIEKHXHC-TZIWHRDSSA-N 2 1 407.002 3.726 20 0 HHADMP CCC[NH+]1CC[C@H](CNC(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000521875438 1010679458 /nfs/dbraw/zinc/67/94/58/1010679458.db2.gz BOOCRRFIEKHXHC-TZIWHRDSSA-N 2 1 407.002 3.726 20 0 HHADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000548660825 1010703021 /nfs/dbraw/zinc/70/30/21/1010703021.db2.gz CVTQKZUNZNLXMY-QPPBQGQZSA-N 2 1 409.578 3.674 20 0 HHADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000548660825 1010703030 /nfs/dbraw/zinc/70/30/30/1010703030.db2.gz CVTQKZUNZNLXMY-QPPBQGQZSA-N 2 1 409.578 3.674 20 0 HHADMP C(=C/c1ccccc1)\C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551693883 1010744370 /nfs/dbraw/zinc/74/43/70/1010744370.db2.gz ICKCHILGKMCGPJ-WQZBXLAZSA-N 2 1 405.586 3.609 20 0 HHADMP C(=C/c1ccccc1)\C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551693883 1010744373 /nfs/dbraw/zinc/74/43/73/1010744373.db2.gz ICKCHILGKMCGPJ-WQZBXLAZSA-N 2 1 405.586 3.609 20 0 HHADMP C[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000551703253 1010749312 /nfs/dbraw/zinc/74/93/12/1010749312.db2.gz VNNOYZNKNFGURY-HRNNMHKYSA-N 2 1 407.602 3.778 20 0 HHADMP C[C@H](NC[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000551703253 1010749323 /nfs/dbraw/zinc/74/93/23/1010749323.db2.gz VNNOYZNKNFGURY-HRNNMHKYSA-N 2 1 407.602 3.778 20 0 HHADMP C[C@H](NC[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000551703253 1010749330 /nfs/dbraw/zinc/74/93/30/1010749330.db2.gz VNNOYZNKNFGURY-HRNNMHKYSA-N 2 1 407.602 3.778 20 0 HHADMP C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000551703253 1010749340 /nfs/dbraw/zinc/74/93/40/1010749340.db2.gz VNNOYZNKNFGURY-HRNNMHKYSA-N 2 1 407.602 3.778 20 0 HHADMP C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000551703253 1010749354 /nfs/dbraw/zinc/74/93/54/1010749354.db2.gz VNNOYZNKNFGURY-HRNNMHKYSA-N 2 1 407.602 3.778 20 0 HHADMP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000545387618 1010768171 /nfs/dbraw/zinc/76/81/71/1010768171.db2.gz ZKXOZWMGFJKNMT-OXJNMPFZSA-N 2 1 420.479 3.979 20 0 HHADMP C[C@@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000522048169 1010777617 /nfs/dbraw/zinc/77/76/17/1010777617.db2.gz FNFLEWZGOZIFGT-NRFANRHFSA-N 2 1 408.590 3.513 20 0 HHADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000522293957 1010911127 /nfs/dbraw/zinc/91/11/27/1010911127.db2.gz QABWPCRQIQIGEF-DEOSSOPVSA-N 2 1 406.574 3.746 20 0 HHADMP CCCN(C(=O)NC[C@H]1CC[NH+](CCC)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000522433684 1011009407 /nfs/dbraw/zinc/00/94/07/1011009407.db2.gz CRHMHDWCOHYXGD-PKTZIBPZSA-N 2 1 400.611 3.805 20 0 HHADMP CCCN(C(=O)NC[C@H]1CC[N@H+](CCC)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000522433684 1011009416 /nfs/dbraw/zinc/00/94/16/1011009416.db2.gz CRHMHDWCOHYXGD-PKTZIBPZSA-N 2 1 400.611 3.805 20 0 HHADMP CCCN(C(=O)NC[C@H]1CC[N@@H+](CCC)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000522433684 1011009423 /nfs/dbraw/zinc/00/94/23/1011009423.db2.gz CRHMHDWCOHYXGD-PKTZIBPZSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000540606337 1011259286 /nfs/dbraw/zinc/25/92/86/1011259286.db2.gz NTGJWBXNAYZBRE-GOSISDBHSA-N 2 1 405.608 3.600 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000536192735 1011333116 /nfs/dbraw/zinc/33/31/16/1011333116.db2.gz OZOWKQNMQDGAFC-XWGVYQGASA-N 2 1 406.574 3.595 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000536192735 1011333129 /nfs/dbraw/zinc/33/31/29/1011333129.db2.gz OZOWKQNMQDGAFC-XWGVYQGASA-N 2 1 406.574 3.595 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000536192735 1011333142 /nfs/dbraw/zinc/33/31/42/1011333142.db2.gz OZOWKQNMQDGAFC-XWGVYQGASA-N 2 1 406.574 3.595 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540718612 1011370132 /nfs/dbraw/zinc/37/01/32/1011370132.db2.gz CXIUILYVHQDOMR-RYGJVYDSSA-N 2 1 408.949 3.539 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540718612 1011370147 /nfs/dbraw/zinc/37/01/47/1011370147.db2.gz CXIUILYVHQDOMR-RYGJVYDSSA-N 2 1 408.949 3.539 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540718612 1011370161 /nfs/dbraw/zinc/37/01/61/1011370161.db2.gz CXIUILYVHQDOMR-RYGJVYDSSA-N 2 1 408.949 3.539 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540718612 1011370174 /nfs/dbraw/zinc/37/01/74/1011370174.db2.gz CXIUILYVHQDOMR-RYGJVYDSSA-N 2 1 408.949 3.539 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540719212 1011371075 /nfs/dbraw/zinc/37/10/75/1011371075.db2.gz ZJQIAARKRRQGFQ-NQERJWCQSA-N 2 1 422.976 3.786 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540719212 1011371083 /nfs/dbraw/zinc/37/10/83/1011371083.db2.gz ZJQIAARKRRQGFQ-NQERJWCQSA-N 2 1 422.976 3.786 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540719212 1011371092 /nfs/dbraw/zinc/37/10/92/1011371092.db2.gz ZJQIAARKRRQGFQ-NQERJWCQSA-N 2 1 422.976 3.786 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540719212 1011371098 /nfs/dbraw/zinc/37/10/98/1011371098.db2.gz ZJQIAARKRRQGFQ-NQERJWCQSA-N 2 1 422.976 3.786 20 0 HHADMP CC(=O)c1ccc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C ZINC000536284631 1011462219 /nfs/dbraw/zinc/46/22/19/1011462219.db2.gz CFOAUTOWOJYSTJ-UHFFFAOYSA-N 2 1 414.594 3.858 20 0 HHADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000540862650 1011533159 /nfs/dbraw/zinc/53/31/59/1011533159.db2.gz GIIGYMFYDZMULX-NDXORKPFSA-N 2 1 424.992 3.986 20 0 HHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000540862650 1011533172 /nfs/dbraw/zinc/53/31/72/1011533172.db2.gz GIIGYMFYDZMULX-NDXORKPFSA-N 2 1 424.992 3.986 20 0 HHADMP CC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000540862650 1011533185 /nfs/dbraw/zinc/53/31/85/1011533185.db2.gz GIIGYMFYDZMULX-NDXORKPFSA-N 2 1 424.992 3.986 20 0 HHADMP CC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000540862650 1011533198 /nfs/dbraw/zinc/53/31/98/1011533198.db2.gz GIIGYMFYDZMULX-NDXORKPFSA-N 2 1 424.992 3.986 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)Nc2ccccc2F)cc1 ZINC000541026757 1011661532 /nfs/dbraw/zinc/66/15/32/1011661532.db2.gz DMXLZUPIQLNWKE-CABCVRRESA-N 2 1 409.465 3.707 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)Nc2ccccc2F)cc1 ZINC000541026758 1011661697 /nfs/dbraw/zinc/66/16/97/1011661697.db2.gz DMXLZUPIQLNWKE-GJZGRUSLSA-N 2 1 409.465 3.707 20 0 HHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000536521052 1011712431 /nfs/dbraw/zinc/71/24/31/1011712431.db2.gz YONWWJHFZOPCCH-ICSRJNTNSA-N 2 1 404.574 3.683 20 0 HHADMP C[N@H+]1CC=C(CNC(=O)N[C@H]2CC[NH+](C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000541151448 1011812457 /nfs/dbraw/zinc/81/24/57/1011812457.db2.gz WZLQSUCPIQMDCD-VQTJNVASSA-N 2 1 422.976 3.954 20 0 HHADMP C[N@@H+]1CC=C(CNC(=O)N[C@H]2CC[NH+](C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000541151448 1011812475 /nfs/dbraw/zinc/81/24/75/1011812475.db2.gz WZLQSUCPIQMDCD-VQTJNVASSA-N 2 1 422.976 3.954 20 0 HHADMP C[NH+]1CC=C(CNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000541151448 1011812490 /nfs/dbraw/zinc/81/24/90/1011812490.db2.gz WZLQSUCPIQMDCD-VQTJNVASSA-N 2 1 422.976 3.954 20 0 HHADMP C[NH+]1CC=C(CNC(=O)N[C@H]2CC[N@H+](C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000541151448 1011812508 /nfs/dbraw/zinc/81/25/08/1011812508.db2.gz WZLQSUCPIQMDCD-VQTJNVASSA-N 2 1 422.976 3.954 20 0 HHADMP COc1cc2c(cc1C[N@@H+](C)CCC1CC[NH+](C3CCN(C)CC3)CC1)O[C@@H](C)C2 ZINC000536667082 1011819918 /nfs/dbraw/zinc/81/99/18/1011819918.db2.gz YSOJKLBPXFIOSC-IBGZPJMESA-N 2 1 415.622 3.647 20 0 HHADMP C[NH+](C)CCOC1CC[NH+](Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000536676646 1011837617 /nfs/dbraw/zinc/83/76/17/1011837617.db2.gz LBNRFELMHPIWAF-UHFFFAOYSA-N 2 1 403.954 3.857 20 0 HHADMP Cc1ccc(CN(C(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)C2CC2)o1 ZINC000536713847 1011886759 /nfs/dbraw/zinc/88/67/59/1011886759.db2.gz RDWQZQQXUXTVRL-UHFFFAOYSA-N 2 1 410.562 3.713 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000536768248 1011969836 /nfs/dbraw/zinc/96/98/36/1011969836.db2.gz OACWWBDNBADNOV-GOSISDBHSA-N 2 1 418.545 3.853 20 0 HHADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000552047568 1012067245 /nfs/dbraw/zinc/06/72/45/1012067245.db2.gz QUUMSWBVTYKEIE-XTWGIRIWSA-N 2 1 415.603 3.689 20 0 HHADMP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000552075424 1012092130 /nfs/dbraw/zinc/09/21/30/1012092130.db2.gz WUKCMHMBPUHRRQ-MJQMVNBJSA-N 2 1 415.607 3.564 20 0 HHADMP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000552075424 1012092146 /nfs/dbraw/zinc/09/21/46/1012092146.db2.gz WUKCMHMBPUHRRQ-MJQMVNBJSA-N 2 1 415.607 3.564 20 0 HHADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000536864406 1012099407 /nfs/dbraw/zinc/09/94/07/1012099407.db2.gz RFXKNMIIIALHRO-SIKLNZKXSA-N 2 1 421.651 3.850 20 0 HHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)C1 ZINC000536875618 1012117937 /nfs/dbraw/zinc/11/79/37/1012117937.db2.gz IMYNRZQOJLYEJN-KNQAVFIVSA-N 2 1 419.635 3.604 20 0 HHADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000552101574 1012118891 /nfs/dbraw/zinc/11/88/91/1012118891.db2.gz VRVIUDRYZOVPPA-WOJBJXKFSA-N 2 1 416.516 3.594 20 0 HHADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000552101574 1012118897 /nfs/dbraw/zinc/11/88/97/1012118897.db2.gz VRVIUDRYZOVPPA-WOJBJXKFSA-N 2 1 416.516 3.594 20 0 HHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000552101573 1012118960 /nfs/dbraw/zinc/11/89/60/1012118960.db2.gz VRVIUDRYZOVPPA-VQTJNVASSA-N 2 1 416.516 3.594 20 0 HHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000552101573 1012118967 /nfs/dbraw/zinc/11/89/67/1012118967.db2.gz VRVIUDRYZOVPPA-VQTJNVASSA-N 2 1 416.516 3.594 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCCC1 ZINC000523604339 1012171825 /nfs/dbraw/zinc/17/18/25/1012171825.db2.gz PCOKURYSYSBDCG-UCBGAZFYSA-N 2 1 412.622 3.992 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(OC)c(OC2CCCC2)c1 ZINC000541424787 1012173066 /nfs/dbraw/zinc/17/30/66/1012173066.db2.gz FJKKMNBFNFWFAS-FQEVSTJZSA-N 2 1 417.594 3.505 20 0 HHADMP CC[N@@H+](CCC1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1)CC(C)C ZINC000536927214 1012212631 /nfs/dbraw/zinc/21/26/31/1012212631.db2.gz ZGUJSQUHNPKENX-UHFFFAOYSA-N 2 1 407.643 3.628 20 0 HHADMP Cc1ccc([C@H](CNC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)[NH+]2CCCC2)o1 ZINC000523644356 1012236726 /nfs/dbraw/zinc/23/67/26/1012236726.db2.gz CNHUVYOMFXPTDP-QFIPXVFZSA-N 2 1 424.589 3.861 20 0 HHADMP COc1cccc([C@@H]2[C@@H](NC(=O)NCC[C@H](C)[NH+]3CCCCC3)CC[N@H+]2C2CC2)c1 ZINC000541476767 1012246538 /nfs/dbraw/zinc/24/65/38/1012246538.db2.gz JONCVIFEQUYBPJ-OFAXGOBFSA-N 2 1 414.594 3.537 20 0 HHADMP COc1cccc([C@@H]2[C@H](NC(=O)NCC[C@@H](C)[NH+]3CCCCC3)CC[N@H+]2C2CC2)c1 ZINC000541476770 1012246925 /nfs/dbraw/zinc/24/69/25/1012246925.db2.gz JONCVIFEQUYBPJ-SXSPYAJSSA-N 2 1 414.594 3.537 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000536951196 1012251076 /nfs/dbraw/zinc/25/10/76/1012251076.db2.gz NXRSQNIHTSVDJY-QRVBRYPASA-N 2 1 415.603 3.663 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000536949332 1012251106 /nfs/dbraw/zinc/25/11/06/1012251106.db2.gz YNRBPHICYLLOFQ-SFHVURJKSA-N 2 1 415.603 3.949 20 0 HHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc4c(c3)OCC(=O)N4)CC2)cs1 ZINC000552250257 1012261440 /nfs/dbraw/zinc/26/14/40/1012261440.db2.gz ZYZRSLTYWQWBRZ-OAHLLOKOSA-N 2 1 414.575 3.599 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(OC(F)F)c1 ZINC000537018240 1012322355 /nfs/dbraw/zinc/32/23/55/1012322355.db2.gz POIDSTNQEVAPJZ-FUHIMQAGSA-N 2 1 417.500 3.718 20 0 HHADMP Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000541578534 1012369328 /nfs/dbraw/zinc/36/93/28/1012369328.db2.gz RHHZWLBHSPAWBE-SFTDATJTSA-N 2 1 402.966 3.842 20 0 HHADMP Cc1ccc(Cl)c(OC[C@@H](O)C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000541578534 1012369338 /nfs/dbraw/zinc/36/93/38/1012369338.db2.gz RHHZWLBHSPAWBE-SFTDATJTSA-N 2 1 402.966 3.842 20 0 HHADMP Cc1ccc(Cl)c(OC[C@@H](O)C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000541578534 1012369344 /nfs/dbraw/zinc/36/93/44/1012369344.db2.gz RHHZWLBHSPAWBE-SFTDATJTSA-N 2 1 402.966 3.842 20 0 HHADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000552365595 1012375579 /nfs/dbraw/zinc/37/55/79/1012375579.db2.gz JXMKCBCKCLRFQL-HJNYFJLDSA-N 2 1 417.544 3.619 20 0 HHADMP O=C([C@@H]1C[NH+](Cc2ccccc2)CCC1(F)F)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000552365595 1012375596 /nfs/dbraw/zinc/37/55/96/1012375596.db2.gz JXMKCBCKCLRFQL-HJNYFJLDSA-N 2 1 417.544 3.619 20 0 HHADMP O=C([C@@H]1C[NH+](Cc2ccccc2)CCC1(F)F)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000552365595 1012375614 /nfs/dbraw/zinc/37/56/14/1012375614.db2.gz JXMKCBCKCLRFQL-HJNYFJLDSA-N 2 1 417.544 3.619 20 0 HHADMP C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541603026 1012400129 /nfs/dbraw/zinc/40/01/29/1012400129.db2.gz MJYMDSGTXLUURL-IRXDYDNUSA-N 2 1 422.411 3.650 20 0 HHADMP C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541603026 1012400136 /nfs/dbraw/zinc/40/01/36/1012400136.db2.gz MJYMDSGTXLUURL-IRXDYDNUSA-N 2 1 422.411 3.650 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCC2(F)F)[C@@H]1c1ccccc1 ZINC000552403566 1012415388 /nfs/dbraw/zinc/41/53/88/1012415388.db2.gz JTYAVWIIIOIGLQ-FKBYEOEOSA-N 2 1 413.512 3.705 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)[C@@H]1c1ccccc1 ZINC000552403566 1012415399 /nfs/dbraw/zinc/41/53/99/1012415399.db2.gz JTYAVWIIIOIGLQ-FKBYEOEOSA-N 2 1 413.512 3.705 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)[C@@H]1c1ccccc1 ZINC000552403566 1012415407 /nfs/dbraw/zinc/41/54/07/1012415407.db2.gz JTYAVWIIIOIGLQ-FKBYEOEOSA-N 2 1 413.512 3.705 20 0 HHADMP C[C@H](NC(=O)[C@H]1C[NH+](Cc2ccccc2)CCC1(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000552420893 1012437426 /nfs/dbraw/zinc/43/74/26/1012437426.db2.gz YAOFOFDUAIEQIW-RCZSKKKRSA-N 2 1 419.560 3.913 20 0 HHADMP CC[C@@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1F ZINC000537113340 1012488068 /nfs/dbraw/zinc/48/80/68/1012488068.db2.gz KMKDSBRUCILWBY-JOCHJYFZSA-N 2 1 401.501 3.918 20 0 HHADMP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000541663824 1012493425 /nfs/dbraw/zinc/49/34/25/1012493425.db2.gz BMHMPENSZLXKKJ-KRWDZBQOSA-N 2 1 417.985 3.801 20 0 HHADMP C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)c3cccc(C[NH+](C)C)c3)cc2)C[C@H]1C ZINC000537169369 1012572588 /nfs/dbraw/zinc/57/25/88/1012572588.db2.gz ACDVBRGYPWISSK-OYRHEFFESA-N 2 1 423.601 3.687 20 0 HHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000523876590 1012573477 /nfs/dbraw/zinc/57/34/77/1012573477.db2.gz MISWDNNKHPEPRD-IYWMVGAKSA-N 2 1 406.640 3.626 20 0 HHADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000523876590 1012573482 /nfs/dbraw/zinc/57/34/82/1012573482.db2.gz MISWDNNKHPEPRD-IYWMVGAKSA-N 2 1 406.640 3.626 20 0 HHADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000523876590 1012573493 /nfs/dbraw/zinc/57/34/93/1012573493.db2.gz MISWDNNKHPEPRD-IYWMVGAKSA-N 2 1 406.640 3.626 20 0 HHADMP C[NH+](C)C1(CN[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)Cc2ccccc2C1 ZINC000537189698 1012602445 /nfs/dbraw/zinc/60/24/45/1012602445.db2.gz ANEYNFXPUMKVHB-HSZRJFAPSA-N 2 1 405.586 3.663 20 0 HHADMP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]Cc1cccc(C(=O)NC3CC3)c1)c1ccccc1O2 ZINC000537190233 1012602638 /nfs/dbraw/zinc/60/26/38/1012602638.db2.gz XDQSDVRTUKQTIG-JOCHJYFZSA-N 2 1 405.542 3.657 20 0 HHADMP COc1ccc([C@H](C)C[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000537205160 1012626584 /nfs/dbraw/zinc/62/65/84/1012626584.db2.gz WVFJDXJXTQUSOR-OAQYLSRUSA-N 2 1 423.601 3.759 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000541911306 1012769925 /nfs/dbraw/zinc/76/99/25/1012769925.db2.gz FRJSCRLVHDDLNI-CDMWWTFKSA-N 2 1 413.512 3.879 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000541911306 1012769941 /nfs/dbraw/zinc/76/99/41/1012769941.db2.gz FRJSCRLVHDDLNI-CDMWWTFKSA-N 2 1 413.512 3.879 20 0 HHADMP COc1cc(OC)c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1Cl ZINC000541918681 1012778270 /nfs/dbraw/zinc/77/82/70/1012778270.db2.gz JKABYYWDWKXXQO-CRAIPNDOSA-N 2 1 404.938 3.775 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N(C)CCCOc2ccccc2)cc1 ZINC000541951251 1012813062 /nfs/dbraw/zinc/81/30/62/1012813062.db2.gz CQNFEVMEXVZCJT-IBGZPJMESA-N 2 1 406.530 3.759 20 0 HHADMP COc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1OC ZINC000541955528 1012817699 /nfs/dbraw/zinc/81/76/99/1012817699.db2.gz NUEYBXWSAWMJPZ-KRWDZBQOSA-N 2 1 422.529 3.507 20 0 HHADMP COc1ccc2c(c1)CCCN2C(=O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000541954923 1012817967 /nfs/dbraw/zinc/81/79/67/1012817967.db2.gz AZJOXJXYIZEAGN-KRWDZBQOSA-N 2 1 404.514 3.819 20 0 HHADMP Cc1[nH+]ccn1CCNC(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000541961867 1012825550 /nfs/dbraw/zinc/82/55/50/1012825550.db2.gz FPQRMSSCLMDYPV-QFIPXVFZSA-N 2 1 413.566 3.793 20 0 HHADMP Cc1[nH+]ccn1CCNC(=O)Nc1ccc(C[N@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000541961867 1012825572 /nfs/dbraw/zinc/82/55/72/1012825572.db2.gz FPQRMSSCLMDYPV-QFIPXVFZSA-N 2 1 413.566 3.793 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)COCc2ccccc2Cl)cc1F ZINC000552838411 1012847854 /nfs/dbraw/zinc/84/78/54/1012847854.db2.gz SOIVNLNVNPBTGS-SFHVURJKSA-N 2 1 403.885 3.641 20 0 HHADMP CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000524160576 1012952557 /nfs/dbraw/zinc/95/25/57/1012952557.db2.gz DGRYZYAYYOHXNT-KSZLIROESA-N 2 1 405.608 3.557 20 0 HHADMP CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000524160576 1012952562 /nfs/dbraw/zinc/95/25/62/1012952562.db2.gz DGRYZYAYYOHXNT-KSZLIROESA-N 2 1 405.608 3.557 20 0 HHADMP COc1ccc(C[C@](C)(O)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1OC ZINC000570252250 1072211643 /nfs/dbraw/zinc/21/16/43/1072211643.db2.gz YHIXURGALVITLR-WOLJRWFJSA-N 2 1 424.585 3.783 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000586869375 1072492422 /nfs/dbraw/zinc/49/24/22/1072492422.db2.gz WREIZRVQQKSGQR-YADHBBJMSA-N 2 1 412.578 3.874 20 0 HHADMP C[NH+](C)C1CCC([N@H+]2Cc3ccccc3C3(CCN(c4ncc(F)cn4)CC3)C2)CC1 ZINC001168321658 1072502243 /nfs/dbraw/zinc/50/22/43/1072502243.db2.gz JTRMMVUUTACAGU-UHFFFAOYSA-N 2 1 423.580 3.842 20 0 HHADMP C[NH+](C)C1CCC([N@@H+]2CCc3c(nnn3CC3CC3)[C@H]2COCc2ccccc2)CC1 ZINC001168322773 1072503376 /nfs/dbraw/zinc/50/33/76/1072503376.db2.gz HRKSDHQXANTZLJ-UBVWURDFSA-N 2 1 423.605 3.677 20 0 HHADMP C[NH+](C)C1CCC([N@H+]2CCc3c(nnn3CC3CC3)[C@H]2COCc2ccccc2)CC1 ZINC001168322773 1072503380 /nfs/dbraw/zinc/50/33/80/1072503380.db2.gz HRKSDHQXANTZLJ-UBVWURDFSA-N 2 1 423.605 3.677 20 0 HHADMP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@H](c3ncc[nH]3)c3cccnc3)cc2)C[C@H]1C ZINC000479404300 1072825672 /nfs/dbraw/zinc/82/56/72/1072825672.db2.gz CLKQRRKDRUBHBK-ROKPMTFOSA-N 2 1 419.573 3.693 20 0 HHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@H](c3ncc[nH]3)c3cccnc3)cc2)C[C@H]1C ZINC000479404300 1072825697 /nfs/dbraw/zinc/82/56/97/1072825697.db2.gz CLKQRRKDRUBHBK-ROKPMTFOSA-N 2 1 419.573 3.693 20 0 HHADMP CN(C)c1cc[nH+]cc1C[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000479409544 1072831563 /nfs/dbraw/zinc/83/15/63/1072831563.db2.gz PHHFMORWUFWOLM-UHFFFAOYSA-N 2 1 406.452 3.561 20 0 HHADMP CC(=O)CCN(CC[NH2+]C1CC[NH+](CC2CC2)CC1)c1nc2cc(Cl)ccc2o1 ZINC001168363065 1072888058 /nfs/dbraw/zinc/88/80/58/1072888058.db2.gz RZFXCHPWACJBTL-UHFFFAOYSA-N 2 1 418.969 3.731 20 0 HHADMP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000554876945 1072921880 /nfs/dbraw/zinc/92/18/80/1072921880.db2.gz AGSKMYSKKLFWQN-UHFFFAOYSA-N 2 1 415.475 3.659 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1)C1CC1 ZINC000588654644 1073103444 /nfs/dbraw/zinc/10/34/44/1073103444.db2.gz AUOIKURSQDBRLW-BGYRXZFFSA-N 2 1 413.606 3.632 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1)C1CC1 ZINC000588654644 1073103446 /nfs/dbraw/zinc/10/34/46/1073103446.db2.gz AUOIKURSQDBRLW-BGYRXZFFSA-N 2 1 413.606 3.632 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1)C1CC1 ZINC000588654644 1073103452 /nfs/dbraw/zinc/10/34/52/1073103452.db2.gz AUOIKURSQDBRLW-BGYRXZFFSA-N 2 1 413.606 3.632 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1)C(C)C ZINC000588656448 1073105129 /nfs/dbraw/zinc/10/51/29/1073105129.db2.gz NZEMIPKYWGNINM-NHCUHLMSSA-N 2 1 415.622 3.878 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000588657057 1073105207 /nfs/dbraw/zinc/10/52/07/1073105207.db2.gz SILXNGFYVFWMAH-OYRHEFFESA-N 2 1 415.622 3.880 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000588657057 1073105225 /nfs/dbraw/zinc/10/52/25/1073105225.db2.gz SILXNGFYVFWMAH-OYRHEFFESA-N 2 1 415.622 3.880 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000588657057 1073105230 /nfs/dbraw/zinc/10/52/30/1073105230.db2.gz SILXNGFYVFWMAH-OYRHEFFESA-N 2 1 415.622 3.880 20 0 HHADMP CC[C@H](NC(=O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccc(Cl)cc1 ZINC000588711926 1073157635 /nfs/dbraw/zinc/15/76/35/1073157635.db2.gz VEYWEZNKEQZGSO-HMFYCAOWSA-N 2 1 422.013 3.729 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1)c1ccsc1 ZINC000555142150 1073194995 /nfs/dbraw/zinc/19/49/95/1073194995.db2.gz HJFTZGVVCXGCAL-FQEVSTJZSA-N 2 1 415.607 3.934 20 0 HHADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000555210589 1073264520 /nfs/dbraw/zinc/26/45/20/1073264520.db2.gz CUGVOELKFKYWNB-YADHBBJMSA-N 2 1 423.605 3.920 20 0 HHADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000555210589 1073264524 /nfs/dbraw/zinc/26/45/24/1073264524.db2.gz CUGVOELKFKYWNB-YADHBBJMSA-N 2 1 423.605 3.920 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C(=O)OCC)c3ccccc32)[C@H](C)C1 ZINC000555228031 1073273426 /nfs/dbraw/zinc/27/34/26/1073273426.db2.gz TVQONZCHQHWFSI-HGSOSGBHSA-N 2 1 402.579 3.895 20 0 HHADMP O[C@H](C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000572452359 1073291349 /nfs/dbraw/zinc/29/13/49/1073291349.db2.gz JCUQOVRNHFYGSU-IFMALSPDSA-N 2 1 402.966 3.972 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000555417712 1073452058 /nfs/dbraw/zinc/45/20/58/1073452058.db2.gz ISYVVWINPRWYRT-CVDCTZTESA-N 2 1 419.585 3.558 20 0 HHADMP CC(=O)Nc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000555612482 1073674790 /nfs/dbraw/zinc/67/47/90/1073674790.db2.gz OJPYOBPRUOHDIZ-QHCPKHFHSA-N 2 1 407.558 3.663 20 0 HHADMP Cc1cccc([C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C(=O)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000555959415 1074005730 /nfs/dbraw/zinc/00/57/30/1074005730.db2.gz XYINLZGDKNIYRG-GPXOXTDOSA-N 2 1 405.586 3.669 20 0 HHADMP Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)NC[C@H]2CCC[NH+](C)C2)c1 ZINC000555959415 1074005740 /nfs/dbraw/zinc/00/57/40/1074005740.db2.gz XYINLZGDKNIYRG-GPXOXTDOSA-N 2 1 405.586 3.669 20 0 HHADMP Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)NC[C@H]2CCC[NH+](C)C2)c1 ZINC000555959415 1074005747 /nfs/dbraw/zinc/00/57/47/1074005747.db2.gz XYINLZGDKNIYRG-GPXOXTDOSA-N 2 1 405.586 3.669 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000591078486 1074100114 /nfs/dbraw/zinc/10/01/14/1074100114.db2.gz NCLWXFYWRHHVKK-FQEVSTJZSA-N 2 1 401.595 3.792 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000591092150 1074107247 /nfs/dbraw/zinc/10/72/47/1074107247.db2.gz HMXSHCSLIGSPKC-NFBKMPQASA-N 2 1 409.574 3.973 20 0 HHADMP CCCC[NH+]1CCC(NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000591447030 1074303021 /nfs/dbraw/zinc/30/30/21/1074303021.db2.gz TZIYZGYSUNSSAP-FQEVSTJZSA-N 2 1 401.595 3.934 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000591559444 1074408711 /nfs/dbraw/zinc/40/87/11/1074408711.db2.gz OQBUKCIKVBIITG-OAQYLSRUSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000591559444 1074408716 /nfs/dbraw/zinc/40/87/16/1074408716.db2.gz OQBUKCIKVBIITG-OAQYLSRUSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000591559444 1074408719 /nfs/dbraw/zinc/40/87/19/1074408719.db2.gz OQBUKCIKVBIITG-OAQYLSRUSA-N 2 1 400.611 3.805 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000591582126 1074424752 /nfs/dbraw/zinc/42/47/52/1074424752.db2.gz ZSDLBQQFHJBXSO-QHCPKHFHSA-N 2 1 400.611 3.982 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000591590462 1074452708 /nfs/dbraw/zinc/45/27/08/1074452708.db2.gz IOAQJXZFLJPZGA-QHCPKHFHSA-N 2 1 400.611 3.838 20 0 HHADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000760889084 1074522926 /nfs/dbraw/zinc/52/29/26/1074522926.db2.gz YCZHVHCDJYOFGV-VXKWHMMOSA-N 2 1 414.981 3.988 20 0 HHADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000760889084 1074522932 /nfs/dbraw/zinc/52/29/32/1074522932.db2.gz YCZHVHCDJYOFGV-VXKWHMMOSA-N 2 1 414.981 3.988 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000591813538 1074591366 /nfs/dbraw/zinc/59/13/66/1074591366.db2.gz IYTMBACSEUMXRU-SQJMNOBHSA-N 2 1 421.585 3.619 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000591813538 1074591371 /nfs/dbraw/zinc/59/13/71/1074591371.db2.gz IYTMBACSEUMXRU-SQJMNOBHSA-N 2 1 421.585 3.619 20 0 HHADMP Cc1cc(C)cc(-c2ccc(C[NH+]3CCC(C(=O)N4CC[NH+](C)CC4)CC3)cc2)c1 ZINC000573962335 1074744002 /nfs/dbraw/zinc/74/40/02/1074744002.db2.gz YCZANKTYTCUMSK-UHFFFAOYSA-N 2 1 405.586 3.956 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000592490623 1074770078 /nfs/dbraw/zinc/77/00/78/1074770078.db2.gz VWPSFNWHHKZOGH-GOSISDBHSA-N 2 1 407.002 3.583 20 0 HHADMP C[NH+](C)CCCOc1ccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000593500114 1075204737 /nfs/dbraw/zinc/20/47/37/1075204737.db2.gz MVZWIMRFCNLXQI-QFIPXVFZSA-N 2 1 410.562 3.803 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000594294986 1075279230 /nfs/dbraw/zinc/27/92/30/1075279230.db2.gz DBMTYOABKDDUOS-HXUWFJFHSA-N 2 1 420.548 3.589 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccccc3Oc3cccnc3)CC2)CC1 ZINC000595588557 1075481072 /nfs/dbraw/zinc/48/10/72/1075481072.db2.gz PEYPEGVQDCJVHF-UHFFFAOYSA-N 2 1 422.573 3.640 20 0 HHADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000597205399 1075634005 /nfs/dbraw/zinc/63/40/05/1075634005.db2.gz TYPCWQWUYFHPGG-NHCUHLMSSA-N 2 1 402.583 3.760 20 0 HHADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000597205402 1075634063 /nfs/dbraw/zinc/63/40/63/1075634063.db2.gz TYPCWQWUYFHPGG-SFTDATJTSA-N 2 1 402.583 3.760 20 0 HHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@H+](C(C)(C)c1ccnc(Cl)c1)C2 ZINC001164619696 719011947 /nfs/dbraw/zinc/01/19/47/719011947.db2.gz WVAPIRVRPSVBTR-HTAPYJJXSA-N 2 1 405.970 3.615 20 0 HHADMP c1ccc(C[N@@H+]2C[C@H]3CCCN(c4ccc(OCC5CC[NH2+]CC5)cn4)[C@H]3C2)cc1 ZINC001164621620 719111394 /nfs/dbraw/zinc/11/13/94/719111394.db2.gz AIGUNJJEMLFYBB-VWNXMTODSA-N 2 1 406.574 3.561 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(-c2nc3ccccc3c(-c3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164681181 719619893 /nfs/dbraw/zinc/61/98/93/719619893.db2.gz CEVXKDULKPJREK-UHFFFAOYSA-N 2 1 412.541 3.968 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(-c2nc3ccccc3c(-c3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164681181 719619896 /nfs/dbraw/zinc/61/98/96/719619896.db2.gz CEVXKDULKPJREK-UHFFFAOYSA-N 2 1 412.541 3.968 20 0 HHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]cnc3c1ccn3C1CCCC1)C2 ZINC001164810068 720124705 /nfs/dbraw/zinc/12/47/05/720124705.db2.gz JOGYPHXRVLVCFJ-CYFREDJKSA-N 2 1 409.578 3.731 20 0 HHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]cnc3c1ccn3C1CCCC1)C2 ZINC001164810068 720124715 /nfs/dbraw/zinc/12/47/15/720124715.db2.gz JOGYPHXRVLVCFJ-CYFREDJKSA-N 2 1 409.578 3.731 20 0 HHADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164842821 720588805 /nfs/dbraw/zinc/58/88/05/720588805.db2.gz VRFLDYGYDNUIGW-SVFBPWRDSA-N 2 1 407.566 3.587 20 0 HHADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164842821 720588824 /nfs/dbraw/zinc/58/88/24/720588824.db2.gz VRFLDYGYDNUIGW-SVFBPWRDSA-N 2 1 407.566 3.587 20 0 HHADMP Cc1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]c1C ZINC001164758797 720884101 /nfs/dbraw/zinc/88/41/01/720884101.db2.gz ZNUSIESFCOCMHW-ZCYQVOJMSA-N 2 1 406.574 3.849 20 0 HHADMP Cc1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]c1C ZINC001164758797 720884103 /nfs/dbraw/zinc/88/41/03/720884103.db2.gz ZNUSIESFCOCMHW-ZCYQVOJMSA-N 2 1 406.574 3.849 20 0 HHADMP CCOc1cc[nH+]c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164756909 720888537 /nfs/dbraw/zinc/88/85/37/720888537.db2.gz SCPRYFUZFYMVPH-DHLKQENFSA-N 2 1 422.573 3.630 20 0 HHADMP Cc1c[nH+]c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc1C ZINC001164750072 720921410 /nfs/dbraw/zinc/92/14/10/720921410.db2.gz IYLVCPBFFMIYJK-ZCYQVOJMSA-N 2 1 406.574 3.849 20 0 HHADMP Cc1c[nH+]c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc1C ZINC001164750072 720921424 /nfs/dbraw/zinc/92/14/24/720921424.db2.gz IYLVCPBFFMIYJK-ZCYQVOJMSA-N 2 1 406.574 3.849 20 0 HHADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4[nH+]c(N5CCCC5)cc5ccccc54)C[C@@H]3C2)cn1 ZINC001164771864 721210077 /nfs/dbraw/zinc/21/00/77/721210077.db2.gz RLEKCFBXZRZMFZ-VXKWHMMOSA-N 2 1 416.573 3.527 20 0 HHADMP C[NH+](Cc1ccccn1)[C@H]1CCC[C@H]2CN(c3ccc(C[N@H+](C)C4CC4)cn3)C[C@@H]21 ZINC001165020639 721826281 /nfs/dbraw/zinc/82/62/81/721826281.db2.gz CYHRQCLVFOMJBA-OYDLWJJNSA-N 2 1 405.590 3.808 20 0 HHADMP C[NH+](Cc1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1)C1CC1 ZINC001165020639 721826283 /nfs/dbraw/zinc/82/62/83/721826283.db2.gz CYHRQCLVFOMJBA-OYDLWJJNSA-N 2 1 405.590 3.808 20 0 HHADMP C[NH+](Cc1ccc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1)C1CC1 ZINC001165020639 721826284 /nfs/dbraw/zinc/82/62/84/721826284.db2.gz CYHRQCLVFOMJBA-OYDLWJJNSA-N 2 1 405.590 3.808 20 0 HHADMP COc1cc2[nH+]c(NC[C@@H]3CCC[N@H+](Cc4cccs4)C3)nc(N)c2cc1OC ZINC000301232682 970823371 /nfs/dbraw/zinc/82/33/71/970823371.db2.gz IQTSFEQBAONQMH-AWEZNQCLSA-N 2 1 413.547 3.615 20 0 HHADMP COc1cc2[nH+]c(NC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)nc(N)c2cc1OC ZINC000301232682 970823383 /nfs/dbraw/zinc/82/33/83/970823383.db2.gz IQTSFEQBAONQMH-AWEZNQCLSA-N 2 1 413.547 3.615 20 0 HHADMP COc1cc2[nH+]c(NCC3CC[NH+](Cc4cccs4)CC3)nc(N)c2cc1OC ZINC000301250768 970832718 /nfs/dbraw/zinc/83/27/18/970832718.db2.gz PPRLPIVCARYEDS-UHFFFAOYSA-N 2 1 413.547 3.615 20 0 HHADMP Cc1[nH+]c2ccc(Br)cc2c(N2CCC([N@@H+](C)CCCO)CC2)c1C ZINC000301386021 970900033 /nfs/dbraw/zinc/90/00/33/970900033.db2.gz CMOPZNSDTCMHFH-UHFFFAOYSA-N 2 1 406.368 3.897 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1cccc(F)c1 ZINC000303050875 971476846 /nfs/dbraw/zinc/47/68/46/971476846.db2.gz VCVIKNKCVUJJIM-KNQAVFIVSA-N 2 1 401.501 3.596 20 0 HHADMP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000303078960 971492167 /nfs/dbraw/zinc/49/21/67/971492167.db2.gz SURYOJTUOKFRSE-VWNXMTODSA-N 2 1 409.549 3.991 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000303149352 971528616 /nfs/dbraw/zinc/52/86/16/971528616.db2.gz MKHHTMMZFCYHEK-YADHBBJMSA-N 2 1 424.614 3.727 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000303149352 971528622 /nfs/dbraw/zinc/52/86/22/971528622.db2.gz MKHHTMMZFCYHEK-YADHBBJMSA-N 2 1 424.614 3.727 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000303451304 971750761 /nfs/dbraw/zinc/75/07/61/971750761.db2.gz IQLHWWTUXUDITK-GGAORHGYSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+](C)Cc1ccccc1 ZINC000303488680 971787239 /nfs/dbraw/zinc/78/72/39/971787239.db2.gz RRYOFSCGLHYOMC-FPOVZHCZSA-N 2 1 414.619 3.780 20 0 HHADMP C[C@@H](CNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[N@H+](C)Cc1ccccc1 ZINC000303488680 971787241 /nfs/dbraw/zinc/78/72/41/971787241.db2.gz RRYOFSCGLHYOMC-FPOVZHCZSA-N 2 1 414.619 3.780 20 0 HHADMP C[C@@H](CNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[N@@H+](C)Cc1ccccc1 ZINC000303488680 971787243 /nfs/dbraw/zinc/78/72/43/971787243.db2.gz RRYOFSCGLHYOMC-FPOVZHCZSA-N 2 1 414.619 3.780 20 0 HHADMP C[C@H]1CCC[C@](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)([NH+](C)C)C1 ZINC000303488656 971787254 /nfs/dbraw/zinc/78/72/54/971787254.db2.gz RRGFFINKCYLYRC-STJMVAOPSA-N 2 1 412.622 3.992 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000303489756 971788644 /nfs/dbraw/zinc/78/86/44/971788644.db2.gz RXRUYQBJRURVML-UCBGAZFYSA-N 2 1 406.574 3.784 20 0 HHADMP C[C@H](CNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)[N@H+](C)Cc1ccccc1 ZINC000303509806 971809171 /nfs/dbraw/zinc/80/91/71/971809171.db2.gz SRBJHCUABIYSFA-NJDAHSKKSA-N 2 1 409.574 3.546 20 0 HHADMP C[C@H](CNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000303509806 971809177 /nfs/dbraw/zinc/80/91/77/971809177.db2.gz SRBJHCUABIYSFA-NJDAHSKKSA-N 2 1 409.574 3.546 20 0 HHADMP C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2OCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000303765697 972015549 /nfs/dbraw/zinc/01/55/49/972015549.db2.gz PNYRESSIYWBKCS-UNMCSNQZSA-N 2 1 409.574 3.752 20 0 HHADMP C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000537620696 1013166019 /nfs/dbraw/zinc/16/60/19/1013166019.db2.gz VDPYTIQZAALUCX-OXQOHEQNSA-N 2 1 419.495 3.830 20 0 HHADMP C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000537620696 1013166024 /nfs/dbraw/zinc/16/60/24/1013166024.db2.gz VDPYTIQZAALUCX-OXQOHEQNSA-N 2 1 419.495 3.830 20 0 HHADMP Cc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c(OCC[NH+](C)C)c1 ZINC000303844287 972381742 /nfs/dbraw/zinc/38/17/42/972381742.db2.gz TVSSHUCVWUVMDV-UHFFFAOYSA-N 2 1 410.562 3.675 20 0 HHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H]3CCCc4ccc(Br)cc43)C2)CC1 ZINC000537678308 1013237294 /nfs/dbraw/zinc/23/72/94/1013237294.db2.gz UAGVFPRXQFLADM-CTNGQTDRSA-N 2 1 406.412 3.927 20 0 HHADMP C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000015404495 962748562 /nfs/dbraw/zinc/74/85/62/962748562.db2.gz BGOKDGHCTQHKDC-NRFANRHFSA-N 2 1 406.574 3.822 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCc1ccc(Cl)s1 ZINC000537843481 1013405200 /nfs/dbraw/zinc/40/52/00/1013405200.db2.gz SEJLORNHNDYZCG-UHFFFAOYSA-N 2 1 406.983 3.651 20 0 HHADMP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537843546 1013406540 /nfs/dbraw/zinc/40/65/40/1013406540.db2.gz ADHVXYKWUQUWAQ-VQTJNVASSA-N 2 1 424.589 3.894 20 0 HHADMP C[N@H+](Cc1cc(-n2ccnc2)cs1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000542466079 1013413657 /nfs/dbraw/zinc/41/36/57/1013413657.db2.gz FTSGTHXBKNMJSR-MRXNPFEDSA-N 2 1 411.449 3.824 20 0 HHADMP C[NH+]1CCN([C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)c2cccs2)CC1 ZINC000542477567 1013425957 /nfs/dbraw/zinc/42/59/57/1013425957.db2.gz FMFQVRQFESIGBM-GMAHTHKFSA-N 2 1 410.562 3.950 20 0 HHADMP Nc1nc(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc2sc3c(c21)CCCC3 ZINC000537863985 1013437141 /nfs/dbraw/zinc/43/71/41/1013437141.db2.gz SIIUMHKJEWXQFO-MAUKXSAKSA-N 2 1 411.619 3.644 20 0 HHADMP Nc1nc(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc2sc3c(c21)CCCC3 ZINC000537863985 1013437147 /nfs/dbraw/zinc/43/71/47/1013437147.db2.gz SIIUMHKJEWXQFO-MAUKXSAKSA-N 2 1 411.619 3.644 20 0 HHADMP Nc1nc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc2sc3c(c21)CCCC3 ZINC000537863985 1013437151 /nfs/dbraw/zinc/43/71/51/1013437151.db2.gz SIIUMHKJEWXQFO-MAUKXSAKSA-N 2 1 411.619 3.644 20 0 HHADMP Nc1nc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc2sc3c(c21)CCCC3 ZINC000537863985 1013437157 /nfs/dbraw/zinc/43/71/57/1013437157.db2.gz SIIUMHKJEWXQFO-MAUKXSAKSA-N 2 1 411.619 3.644 20 0 HHADMP COc1c(C)cnc(CN2CCC([N@@H+](C)C[C@@H](O)CCc3ccccc3)CC2)c1C ZINC000542510065 1013454318 /nfs/dbraw/zinc/45/43/18/1013454318.db2.gz IGYCETNERBBKOX-QHCPKHFHSA-N 2 1 411.590 3.597 20 0 HHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C[C@@H](O)CCc3ccccc3)CC2)c1C ZINC000542510065 1013454322 /nfs/dbraw/zinc/45/43/22/1013454322.db2.gz IGYCETNERBBKOX-QHCPKHFHSA-N 2 1 411.590 3.597 20 0 HHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C[C@@H](O)CCc3ccccc3)CC2)c1C ZINC000542510065 1013454325 /nfs/dbraw/zinc/45/43/25/1013454325.db2.gz IGYCETNERBBKOX-QHCPKHFHSA-N 2 1 411.590 3.597 20 0 HHADMP COc1ccc([C@H](NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C(C)C)cc1 ZINC000542534243 1013479206 /nfs/dbraw/zinc/47/92/06/1013479206.db2.gz RFLSUJMHWNNPEY-VAXXYWNWSA-N 2 1 401.595 3.751 20 0 HHADMP COc1ccc([C@H](NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C(C)C)cc1 ZINC000542534243 1013479210 /nfs/dbraw/zinc/47/92/10/1013479210.db2.gz RFLSUJMHWNNPEY-VAXXYWNWSA-N 2 1 401.595 3.751 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000050136928 964273703 /nfs/dbraw/zinc/27/37/03/964273703.db2.gz UXIHIVSWHVCJIX-LJQANCHMSA-N 2 1 418.607 3.635 20 0 HHADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000537959356 1013538447 /nfs/dbraw/zinc/53/84/47/1013538447.db2.gz DAEYYKAJIGMUEL-VAMGGRTRSA-N 2 1 411.359 3.933 20 0 HHADMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)c1ccn(C)n1 ZINC000542670835 1013595470 /nfs/dbraw/zinc/59/54/70/1013595470.db2.gz OAAYAIJLGTYLSE-DEOSSOPVSA-N 2 1 403.574 3.983 20 0 HHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccccc2OCc2cccnc2)c2cccs2)CC1 ZINC000030543821 965724274 /nfs/dbraw/zinc/72/42/74/965724274.db2.gz VFFHSKUYMDLQQA-QFIPXVFZSA-N 2 1 422.598 3.800 20 0 HHADMP CC(C)(CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000061142268 966380570 /nfs/dbraw/zinc/38/05/70/966380570.db2.gz BTXMZPUJVDICSU-OAQYLSRUSA-N 2 1 410.562 3.553 20 0 HHADMP CC1CC[NH+](CCCNC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000061498636 966481422 /nfs/dbraw/zinc/48/14/22/966481422.db2.gz CNKLURHFFMRKOC-OAQYLSRUSA-N 2 1 400.611 3.840 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000061553635 966499168 /nfs/dbraw/zinc/49/91/68/966499168.db2.gz USDYNIUXIOLGNR-OYRHEFFESA-N 2 1 400.611 3.840 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)c1 ZINC000061795523 966558425 /nfs/dbraw/zinc/55/84/25/966558425.db2.gz OFFCTHAEUDSNRS-QHCPKHFHSA-N 2 1 424.589 3.783 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000062499841 966692588 /nfs/dbraw/zinc/69/25/88/966692588.db2.gz VGTSZPSLMOSVNJ-CVDCTZTESA-N 2 1 412.553 3.734 20 0 HHADMP CN(CCC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1cc[nH+]cc1 ZINC000542784826 1013681103 /nfs/dbraw/zinc/68/11/03/1013681103.db2.gz RCTRJUKKFBQFBB-IIBYNOLFSA-N 2 1 404.917 3.510 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCC[NH+](C)Cc1ccco1 ZINC000553944219 1013714666 /nfs/dbraw/zinc/71/46/66/1013714666.db2.gz BSAFTAIEFDSPOU-NZQKXSOJSA-N 2 1 412.578 3.654 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000553944219 1013714676 /nfs/dbraw/zinc/71/46/76/1013714676.db2.gz BSAFTAIEFDSPOU-NZQKXSOJSA-N 2 1 412.578 3.654 20 0 HHADMP COc1ccc(F)cc1[C@@H](C)[NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000538168006 1013728022 /nfs/dbraw/zinc/72/80/22/1013728022.db2.gz HTKKPMGZLIRRDU-LJQANCHMSA-N 2 1 413.537 3.528 20 0 HHADMP COc1ccc(F)cc1[C@@H](C)[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000538168006 1013728030 /nfs/dbraw/zinc/72/80/30/1013728030.db2.gz HTKKPMGZLIRRDU-LJQANCHMSA-N 2 1 413.537 3.528 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)c1ccco1 ZINC000065481036 967488741 /nfs/dbraw/zinc/48/87/41/967488741.db2.gz XMWZVEKDVHAEPG-OAQYLSRUSA-N 2 1 416.541 3.719 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)c1ccco1 ZINC000065481036 967488747 /nfs/dbraw/zinc/48/87/47/967488747.db2.gz XMWZVEKDVHAEPG-OAQYLSRUSA-N 2 1 416.541 3.719 20 0 HHADMP Cc1ccsc1-c1nnc(NC(=O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000542886109 1013733430 /nfs/dbraw/zinc/73/34/30/1013733430.db2.gz QVXYYYLTCSRRJY-CQSZACIVSA-N 2 1 422.514 3.890 20 0 HHADMP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000542886105 1013733608 /nfs/dbraw/zinc/73/36/08/1013733608.db2.gz QPGLWCZGDXDVIP-HZPDHXFCSA-N 2 1 405.502 3.817 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC(=O)Nc2cc(F)ccc2F)CC1 ZINC000538209561 1013763275 /nfs/dbraw/zinc/76/32/75/1013763275.db2.gz KUWFZQPRYVUOMB-HNNXBMFYSA-N 2 1 420.479 3.535 20 0 HHADMP CCc1oc(C(=O)OC)cc1C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000538212240 1013765299 /nfs/dbraw/zinc/76/52/99/1013765299.db2.gz XYVHWUAWODJEES-MRXNPFEDSA-N 2 1 417.525 3.760 20 0 HHADMP C[NH+]1CCC2(CC1)C[C@H]([NH2+]Cc1cccc(N3CCCC3=O)c1)c1ccccc1O2 ZINC000538262343 1013803962 /nfs/dbraw/zinc/80/39/62/1013803962.db2.gz UYPISQBUPTUKRI-QFIPXVFZSA-N 2 1 405.542 3.891 20 0 HHADMP COc1ccc(OC)c([C@@H](C)NC(=O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000538268983 1013809610 /nfs/dbraw/zinc/80/96/10/1013809610.db2.gz SABQFMASDVJMCI-DLBZAZTESA-N 2 1 422.529 3.726 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccc(F)cc1 ZINC000065873781 968693642 /nfs/dbraw/zinc/69/36/42/968693642.db2.gz MPNHQPPARUKJMA-SIKLNZKXSA-N 2 1 401.501 3.596 20 0 HHADMP COc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000072027247 968940984 /nfs/dbraw/zinc/94/09/84/968940984.db2.gz IHDQCJOQJJARHA-ZEQRLZLVSA-N 2 1 407.558 3.613 20 0 HHADMP C[C@H](c1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1)[NH+]1CCOCC1 ZINC000078872504 969020361 /nfs/dbraw/zinc/02/03/61/969020361.db2.gz PQHXKXQBGLSCTM-HXUWFJFHSA-N 2 1 410.562 3.676 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)CC(C)C ZINC000078872660 969020440 /nfs/dbraw/zinc/02/04/40/969020440.db2.gz ILPDGSJURYWUFQ-KNQAVFIVSA-N 2 1 404.599 3.958 20 0 HHADMP COc1c(Br)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000097604715 969178540 /nfs/dbraw/zinc/17/85/40/969178540.db2.gz NSAKENNJCRTSGS-CMPLNLGQSA-N 2 1 406.162 3.793 20 0 HHADMP COc1c(Br)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Br ZINC000097604715 969178544 /nfs/dbraw/zinc/17/85/44/969178544.db2.gz NSAKENNJCRTSGS-CMPLNLGQSA-N 2 1 406.162 3.793 20 0 HHADMP COc1c(Br)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000097604714 969178694 /nfs/dbraw/zinc/17/86/94/969178694.db2.gz NSAKENNJCRTSGS-ZYHUDNBSSA-N 2 1 406.162 3.793 20 0 HHADMP COc1c(Br)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1Br ZINC000097604714 969178697 /nfs/dbraw/zinc/17/86/97/969178697.db2.gz NSAKENNJCRTSGS-ZYHUDNBSSA-N 2 1 406.162 3.793 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000108818473 969422349 /nfs/dbraw/zinc/42/23/49/969422349.db2.gz ZLPNFHGHIURIAI-FXELSEDVSA-N 2 1 415.622 3.782 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000108818473 969422355 /nfs/dbraw/zinc/42/23/55/969422355.db2.gz ZLPNFHGHIURIAI-FXELSEDVSA-N 2 1 415.622 3.782 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000108818473 969422361 /nfs/dbraw/zinc/42/23/61/969422361.db2.gz ZLPNFHGHIURIAI-FXELSEDVSA-N 2 1 415.622 3.782 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000108818473 969422365 /nfs/dbraw/zinc/42/23/65/969422365.db2.gz ZLPNFHGHIURIAI-FXELSEDVSA-N 2 1 415.622 3.782 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000110153779 969630860 /nfs/dbraw/zinc/63/08/60/969630860.db2.gz FNVRYGICEIRJQR-OAQYLSRUSA-N 2 1 411.512 3.678 20 0 HHADMP C[C@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000110152493 969630905 /nfs/dbraw/zinc/63/09/05/969630905.db2.gz LXSOISMOVMSBSX-NQIIRXRSSA-N 2 1 411.512 3.678 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000110153777 969631041 /nfs/dbraw/zinc/63/10/41/969631041.db2.gz FNVRYGICEIRJQR-NRFANRHFSA-N 2 1 411.512 3.678 20 0 HHADMP O=C(N1CC[NH+](C2CCCC2)CC1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000110165133 969632011 /nfs/dbraw/zinc/63/20/11/969632011.db2.gz PPDGBNVAUFMTIA-OAQYLSRUSA-N 2 1 409.496 3.528 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCc3nc(-c4cccc(Cl)c4)no3)CC2)C[C@H](C)O1 ZINC000112664903 969822791 /nfs/dbraw/zinc/82/27/91/969822791.db2.gz JIFVIOJYTQDNKK-CALCHBBNSA-N 2 1 418.969 3.754 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000554372944 1013924539 /nfs/dbraw/zinc/92/45/39/1013924539.db2.gz AMDPUZUWPJKAIM-YZGWKJHDSA-N 2 1 411.512 3.963 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)CC[N@H+]1Cc1ccccc1 ZINC000554372944 1013924544 /nfs/dbraw/zinc/92/45/44/1013924544.db2.gz AMDPUZUWPJKAIM-YZGWKJHDSA-N 2 1 411.512 3.963 20 0 HHADMP CCN1CC[NH+](CCCC[NH2+]Cc2c(C)nn(Cc3ccc(C)cc3)c2Cl)CC1 ZINC000236940010 970191040 /nfs/dbraw/zinc/19/10/40/970191040.db2.gz PEESOMRGANPQKB-UHFFFAOYSA-N 2 1 418.029 3.709 20 0 HHADMP CN(C)C(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000237067327 970217549 /nfs/dbraw/zinc/21/75/49/970217549.db2.gz OPUWBBVSFOYVFD-OXQOHEQNSA-N 2 1 422.495 3.908 20 0 HHADMP CN(C)C(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000237067327 970217565 /nfs/dbraw/zinc/21/75/65/970217565.db2.gz OPUWBBVSFOYVFD-OXQOHEQNSA-N 2 1 422.495 3.908 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1)[NH+](C)C ZINC000554481553 1013964966 /nfs/dbraw/zinc/96/49/66/1013964966.db2.gz VFALDNDIUBNVRA-KIFXHHALSA-N 2 1 424.589 3.680 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1)[NH+](C)C ZINC000554481553 1013964971 /nfs/dbraw/zinc/96/49/71/1013964971.db2.gz VFALDNDIUBNVRA-KIFXHHALSA-N 2 1 424.589 3.680 20 0 HHADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000237169564 970235135 /nfs/dbraw/zinc/23/51/35/970235135.db2.gz MEYXPRNGYFVFCC-UHFFFAOYSA-N 2 1 417.601 3.903 20 0 HHADMP C#CCOc1ccc(Br)cc1C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000237189286 970238355 /nfs/dbraw/zinc/23/83/55/970238355.db2.gz IUAHTLRGLOBNIC-UHFFFAOYSA-N 2 1 417.347 3.691 20 0 HHADMP C[N@H+](CCOc1cccc(C[NH2+]Cc2csc(C3CC3)n2)c1)C1CCOCC1 ZINC000237207075 970241488 /nfs/dbraw/zinc/24/14/88/970241488.db2.gz CJYCPEPEAIFCGW-UHFFFAOYSA-N 2 1 401.576 3.800 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2csc(C3CC3)n2)c1)C1CCOCC1 ZINC000237207075 970241494 /nfs/dbraw/zinc/24/14/94/970241494.db2.gz CJYCPEPEAIFCGW-UHFFFAOYSA-N 2 1 401.576 3.800 20 0 HHADMP COc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)ccc1OCc1cccs1 ZINC000237356445 970268934 /nfs/dbraw/zinc/26/89/34/970268934.db2.gz ONOZNILLFHKJKY-LJQANCHMSA-N 2 1 416.587 3.926 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000554548744 1013975660 /nfs/dbraw/zinc/97/56/60/1013975660.db2.gz HPZPOVPVKMSBML-KRWDZBQOSA-N 2 1 423.026 3.757 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccsc1 ZINC000148996156 970377359 /nfs/dbraw/zinc/37/73/59/970377359.db2.gz XFLGSDMQDAZRGA-QFBILLFUSA-N 2 1 406.621 3.624 20 0 HHADMP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCC[NH+]2CCC(O)CC2)c1 ZINC000237879715 970387712 /nfs/dbraw/zinc/38/77/12/970387712.db2.gz LHHZPZQAFHSGQR-UHFFFAOYSA-N 2 1 418.585 3.843 20 0 HHADMP O=C(Nc1cccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1)c1ccc(Cl)cc1 ZINC000237977686 970409111 /nfs/dbraw/zinc/40/91/11/970409111.db2.gz SNLBMDRTLRZJMP-JOCHJYFZSA-N 2 1 415.965 3.919 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]Cc2csc3ccccc23)c1 ZINC000238022260 970419708 /nfs/dbraw/zinc/41/97/08/970419708.db2.gz SBLQWXJNFHHAJH-UHFFFAOYSA-N 2 1 409.555 3.852 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000150219008 970435790 /nfs/dbraw/zinc/43/57/90/970435790.db2.gz QJLXZSJGPZELAN-UHFFFAOYSA-N 2 1 400.611 3.660 20 0 HHADMP COc1c(Br)cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000252673004 970557121 /nfs/dbraw/zinc/55/71/21/970557121.db2.gz GBMCKFUSKZUQKF-STQMWFEESA-N 2 1 418.173 3.937 20 0 HHADMP COc1c(Br)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000252673004 970557131 /nfs/dbraw/zinc/55/71/31/970557131.db2.gz GBMCKFUSKZUQKF-STQMWFEESA-N 2 1 418.173 3.937 20 0 HHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000195626715 970569811 /nfs/dbraw/zinc/56/98/11/970569811.db2.gz PYQNFBUKZYFLKB-UHFFFAOYSA-N 2 1 410.562 3.966 20 0 HHADMP C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309725780 972618764 /nfs/dbraw/zinc/61/87/64/972618764.db2.gz NPCMUGMQGUTCNW-BAGYTPMASA-N 2 1 417.594 3.513 20 0 HHADMP C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309725789 972619104 /nfs/dbraw/zinc/61/91/04/972619104.db2.gz NPCMUGMQGUTCNW-HJNYFJLDSA-N 2 1 417.594 3.513 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000410333546 973910717 /nfs/dbraw/zinc/91/07/17/973910717.db2.gz SLFIKGFNHVIQJK-VWLOTQADSA-N 2 1 420.601 3.923 20 0 HHADMP CC[N@@H+](CCNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)CCC(F)(F)F ZINC000425993082 974106144 /nfs/dbraw/zinc/10/61/44/974106144.db2.gz AIHAADAYDBLMDC-QZTJIDSGSA-N 2 1 406.537 3.557 20 0 HHADMP CC[NH+](CCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)CCC(F)(F)F ZINC000425993082 974106166 /nfs/dbraw/zinc/10/61/66/974106166.db2.gz AIHAADAYDBLMDC-QZTJIDSGSA-N 2 1 406.537 3.557 20 0 HHADMP CC[NH+](CCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)CCC(F)(F)F ZINC000425993082 974106167 /nfs/dbraw/zinc/10/61/67/974106167.db2.gz AIHAADAYDBLMDC-QZTJIDSGSA-N 2 1 406.537 3.557 20 0 HHADMP COc1ccc(CC[C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1O ZINC000426409403 974436128 /nfs/dbraw/zinc/43/61/28/974436128.db2.gz GZDUNDIDQGACIJ-NZQKXSOJSA-N 2 1 411.590 3.690 20 0 HHADMP Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426769464 974645835 /nfs/dbraw/zinc/64/58/35/974645835.db2.gz JEAAPLQYQASRMB-QZTJIDSGSA-N 2 1 407.986 3.798 20 0 HHADMP CSc1ccccc1NC(=O)CC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426770179 974646978 /nfs/dbraw/zinc/64/69/78/974646978.db2.gz PRJPPFMMLDEPEI-KDURUIRLSA-N 2 1 419.635 3.948 20 0 HHADMP CCn1c(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)nc2cc(F)ccc21 ZINC000426770525 974647526 /nfs/dbraw/zinc/64/75/26/974647526.db2.gz SSVCMZDTBXGEJI-ROUUACIJSA-N 2 1 402.558 3.907 20 0 HHADMP CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000426789616 974660792 /nfs/dbraw/zinc/66/07/92/974660792.db2.gz WIBMJFSOFSCDDQ-OTWHNJEPSA-N 2 1 419.635 3.947 20 0 HHADMP CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000426789616 974660799 /nfs/dbraw/zinc/66/07/99/974660799.db2.gz WIBMJFSOFSCDDQ-OTWHNJEPSA-N 2 1 419.635 3.947 20 0 HHADMP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426793892 974665283 /nfs/dbraw/zinc/66/52/83/974665283.db2.gz PQMIAEVAQAXLCV-ZGXWSNOMSA-N 2 1 419.585 3.603 20 0 HHADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426828894 974693777 /nfs/dbraw/zinc/69/37/77/974693777.db2.gz XDZMWJNZRIXQDW-QRVBRYPASA-N 2 1 405.558 3.672 20 0 HHADMP COc1ccc(C)cc1NC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426828971 974693883 /nfs/dbraw/zinc/69/38/83/974693883.db2.gz NDRVZEWWQOJPIR-AQNXPRMDSA-N 2 1 417.594 3.542 20 0 HHADMP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426830673 974695721 /nfs/dbraw/zinc/69/57/21/974695721.db2.gz ZZGIDGCEUYLVLY-ZACQAIPSSA-N 2 1 409.521 3.503 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000428270326 975584544 /nfs/dbraw/zinc/58/45/44/975584544.db2.gz MYNDNPOCCQTXAH-JRGCBEDISA-N 2 1 400.592 3.703 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NCCC[NH+](C)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000428273335 975588136 /nfs/dbraw/zinc/58/81/36/975588136.db2.gz ZTRSPCYDEJKXMZ-ZJSXRUAMSA-N 2 1 408.590 3.861 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NCCC[N@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000428273335 975588147 /nfs/dbraw/zinc/58/81/47/975588147.db2.gz ZTRSPCYDEJKXMZ-ZJSXRUAMSA-N 2 1 408.590 3.861 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NCCC[N@@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000428273335 975588157 /nfs/dbraw/zinc/58/81/57/975588157.db2.gz ZTRSPCYDEJKXMZ-ZJSXRUAMSA-N 2 1 408.590 3.861 20 0 HHADMP C[C@H](C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000428532982 975827827 /nfs/dbraw/zinc/82/78/27/975827827.db2.gz HXFWAWOTIFXUOU-NLFFAJNJSA-N 2 1 421.585 3.535 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC000428638248 975939719 /nfs/dbraw/zinc/93/97/19/975939719.db2.gz FVYBAYNKDMDTLY-XPNTWCBSSA-N 2 1 400.611 3.993 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000428638248 975939731 /nfs/dbraw/zinc/93/97/31/975939731.db2.gz FVYBAYNKDMDTLY-XPNTWCBSSA-N 2 1 400.611 3.993 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000428638248 975939748 /nfs/dbraw/zinc/93/97/48/975939748.db2.gz FVYBAYNKDMDTLY-XPNTWCBSSA-N 2 1 400.611 3.993 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000428872301 976161849 /nfs/dbraw/zinc/16/18/49/976161849.db2.gz MKPBEYZBNKZIIW-YSZBQJHXSA-N 2 1 412.553 3.781 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000428963454 976251347 /nfs/dbraw/zinc/25/13/47/976251347.db2.gz MSUXRVPQIUYANQ-AREMUKBSSA-N 2 1 423.601 3.628 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000428963454 976251358 /nfs/dbraw/zinc/25/13/58/976251358.db2.gz MSUXRVPQIUYANQ-AREMUKBSSA-N 2 1 423.601 3.628 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000428963454 976251365 /nfs/dbraw/zinc/25/13/65/976251365.db2.gz MSUXRVPQIUYANQ-AREMUKBSSA-N 2 1 423.601 3.628 20 0 HHADMP C[N@H+]1CC[C@@H](CNC(=O)NCC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000429022794 976303946 /nfs/dbraw/zinc/30/39/46/976303946.db2.gz AACAXYBYUJGEER-UWJYYQICSA-N 2 1 422.976 3.646 20 0 HHADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C1CCCCC1 ZINC000429222413 976516477 /nfs/dbraw/zinc/51/64/77/976516477.db2.gz VKLIHPXNFYTFRP-HXUWFJFHSA-N 2 1 414.594 3.637 20 0 HHADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](NC[C@@H]4C[NH+](Cc5ccccc5)CCCO4)[C@@H]3C2)cc1 ZINC000429432422 976712136 /nfs/dbraw/zinc/71/21/36/976712136.db2.gz XCIBUANHKBOJOD-FPCALVHFSA-N 2 1 419.613 3.778 20 0 HHADMP c1ccc(C[NH+]2C[C@H]3CC[C@@H](NC[C@@H]4C[N@H+](Cc5ccccc5)CCCO4)[C@@H]3C2)cc1 ZINC000429432422 976712144 /nfs/dbraw/zinc/71/21/44/976712144.db2.gz XCIBUANHKBOJOD-FPCALVHFSA-N 2 1 419.613 3.778 20 0 HHADMP c1ccc(C[NH+]2C[C@H]3CC[C@@H](NC[C@@H]4C[N@@H+](Cc5ccccc5)CCCO4)[C@@H]3C2)cc1 ZINC000429432422 976712152 /nfs/dbraw/zinc/71/21/52/976712152.db2.gz XCIBUANHKBOJOD-FPCALVHFSA-N 2 1 419.613 3.778 20 0 HHADMP c1ccc(CN2CCCO[C@H](C[NH2+][C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)C2)cc1 ZINC000429432422 976712160 /nfs/dbraw/zinc/71/21/60/976712160.db2.gz XCIBUANHKBOJOD-FPCALVHFSA-N 2 1 419.613 3.778 20 0 HHADMP c1ccc(CN2CCCO[C@H](C[NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)C2)cc1 ZINC000429432422 976712169 /nfs/dbraw/zinc/71/21/69/976712169.db2.gz XCIBUANHKBOJOD-FPCALVHFSA-N 2 1 419.613 3.778 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000429486021 976744931 /nfs/dbraw/zinc/74/49/31/976744931.db2.gz BTLLVYXTRLNQAE-NFBKMPQASA-N 2 1 414.638 3.833 20 0 HHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000429486021 976744942 /nfs/dbraw/zinc/74/49/42/976744942.db2.gz BTLLVYXTRLNQAE-NFBKMPQASA-N 2 1 414.638 3.833 20 0 HHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000429486021 976744953 /nfs/dbraw/zinc/74/49/53/976744953.db2.gz BTLLVYXTRLNQAE-NFBKMPQASA-N 2 1 414.638 3.833 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000429486024 976745171 /nfs/dbraw/zinc/74/51/71/976745171.db2.gz BTLLVYXTRLNQAE-NZQKXSOJSA-N 2 1 414.638 3.833 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000429486024 976745178 /nfs/dbraw/zinc/74/51/78/976745178.db2.gz BTLLVYXTRLNQAE-NZQKXSOJSA-N 2 1 414.638 3.833 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000429486024 976745189 /nfs/dbraw/zinc/74/51/89/976745189.db2.gz BTLLVYXTRLNQAE-NZQKXSOJSA-N 2 1 414.638 3.833 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)NCCCCC[NH+]3CCCCC3)CC2)C[C@H](C)O1 ZINC000429495474 976753177 /nfs/dbraw/zinc/75/31/77/976753177.db2.gz WGWKQMNTWNGMAN-SZPZYZBQSA-N 2 1 422.658 3.564 20 0 HHADMP COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000430107658 977322623 /nfs/dbraw/zinc/32/26/23/977322623.db2.gz SMQARQOIPWAVLG-SANMLTNESA-N 2 1 421.585 3.534 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cccc(Br)c1 ZINC000430669102 977680180 /nfs/dbraw/zinc/68/01/80/977680180.db2.gz JVFGMIIEWIHFHW-UHFFFAOYSA-N 2 1 422.411 3.717 20 0 HHADMP C[C@H](Cc1ccccc1F)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430672553 977683669 /nfs/dbraw/zinc/68/36/69/977683669.db2.gz VBVQPADHUPNIEU-LJQANCHMSA-N 2 1 403.586 3.659 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCc1ccc(Cl)cc1 ZINC000430676409 977686922 /nfs/dbraw/zinc/68/69/22/977686922.db2.gz DBBIWXGINHISBR-UHFFFAOYSA-N 2 1 406.014 3.927 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cc(-c2ccccc2)no1 ZINC000430678652 977688767 /nfs/dbraw/zinc/68/87/67/977688767.db2.gz NGULGBMRSRUBCT-UHFFFAOYSA-N 2 1 410.562 3.610 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1SCCc2ccccc21 ZINC000430680161 977690797 /nfs/dbraw/zinc/69/07/97/977690797.db2.gz XQZUGRMLGMDOQN-QHCPKHFHSA-N 2 1 415.647 3.672 20 0 HHADMP Cc1c(Cl)cccc1OCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430688314 977696146 /nfs/dbraw/zinc/69/61/46/977696146.db2.gz WMXRHMHTAJDAOJ-UHFFFAOYSA-N 2 1 422.013 3.682 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NCC3CC[NH+](CCC(C)C)CC3)CC2)cs1 ZINC000430881283 977847714 /nfs/dbraw/zinc/84/77/14/977847714.db2.gz ZWLVBOXFXGGXIQ-UHFFFAOYSA-N 2 1 406.640 3.538 20 0 HHADMP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430914107 977882988 /nfs/dbraw/zinc/88/29/88/977882988.db2.gz IBXOAJFQYBVICF-OAQYLSRUSA-N 2 1 414.638 3.759 20 0 HHADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430917070 977884392 /nfs/dbraw/zinc/88/43/92/977884392.db2.gz JCSQRBXXUWIYMY-GOSISDBHSA-N 2 1 421.029 3.795 20 0 HHADMP Cc1c(Cl)cccc1NC(=O)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430936703 977900590 /nfs/dbraw/zinc/90/05/90/977900590.db2.gz WAIKMRBORUVMPY-UHFFFAOYSA-N 2 1 421.029 3.715 20 0 HHADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)cc2)CC1 ZINC000431322757 978207633 /nfs/dbraw/zinc/20/76/33/978207633.db2.gz YAEIUTZBPVZTKC-XUZZJYLKSA-N 2 1 420.601 3.611 20 0 HHADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431368444 978242783 /nfs/dbraw/zinc/24/27/83/978242783.db2.gz HEHOSBIYCWVHEK-OAQYLSRUSA-N 2 1 400.611 3.805 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000431665507 978421651 /nfs/dbraw/zinc/42/16/51/978421651.db2.gz PGYRJJXEYABAPM-XZOQPEGZSA-N 2 1 404.643 3.793 20 0 HHADMP Cc1cccc([C@H](C)CNC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000431673838 978427994 /nfs/dbraw/zinc/42/79/94/978427994.db2.gz BMUMCGTVOJSRKX-OAQYLSRUSA-N 2 1 414.638 3.936 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000431676751 978429814 /nfs/dbraw/zinc/42/98/14/978429814.db2.gz AIMYUDKFQAZJCS-FGCOXFRFSA-N 2 1 408.590 3.512 20 0 HHADMP CCS[C@H]1CCCC[C@H]1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431687971 978436682 /nfs/dbraw/zinc/43/66/82/978436682.db2.gz RUDMWVLGNJUPNW-YADHBBJMSA-N 2 1 424.699 3.888 20 0 HHADMP C[C@H](NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1c(F)cccc1F ZINC000431793917 978517287 /nfs/dbraw/zinc/51/72/87/978517287.db2.gz IMCNNGJGLLGWIF-KRWDZBQOSA-N 2 1 422.564 3.864 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431978366 978628122 /nfs/dbraw/zinc/62/81/22/978628122.db2.gz WRFXDBPLENEQGA-UHFFFAOYSA-N 2 1 409.578 3.669 20 0 HHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000432688854 978937436 /nfs/dbraw/zinc/93/74/36/978937436.db2.gz FWHILSQULUZYOB-LJQANCHMSA-N 2 1 402.583 3.745 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(-c2cccnc2)ccc1C ZINC000432805982 978980054 /nfs/dbraw/zinc/98/00/54/978980054.db2.gz RBEWJRUHHKOINA-QFIPXVFZSA-N 2 1 409.578 3.937 20 0 HHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NCCC[N@@H+]3CCCO[C@H](C)C3)c2c1C ZINC000432849636 978991707 /nfs/dbraw/zinc/99/17/07/978991707.db2.gz AUYYNDYUFJKCSB-MRXNPFEDSA-N 2 1 417.623 3.817 20 0 HHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NCCC[N@H+]3CCCO[C@H](C)C3)c2c1C ZINC000432849636 978991709 /nfs/dbraw/zinc/99/17/09/978991709.db2.gz AUYYNDYUFJKCSB-MRXNPFEDSA-N 2 1 417.623 3.817 20 0 HHADMP COc1cc(C[NH+](C)C[C@@H]2CCCC[C@@H]2O)cc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)c1 ZINC000432854932 978993073 /nfs/dbraw/zinc/99/30/73/978993073.db2.gz SYZMCABGHFYEJR-TWVZQSRDSA-N 2 1 418.622 3.661 20 0 HHADMP C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433125349 979086295 /nfs/dbraw/zinc/08/62/95/979086295.db2.gz JMSVDUMRINIFTE-HXUWFJFHSA-N 2 1 420.557 3.711 20 0 HHADMP COc1ccccc1N1CC[C@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000433172513 979116598 /nfs/dbraw/zinc/11/65/98/979116598.db2.gz CROCHBRBARPQQW-QHCPKHFHSA-N 2 1 419.569 3.789 20 0 HHADMP Cc1cc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n(C(C)(C)C)n1 ZINC000433177360 979121104 /nfs/dbraw/zinc/12/11/04/979121104.db2.gz SCIOHGJTWMBOOM-UHFFFAOYSA-N 2 1 423.605 3.873 20 0 HHADMP Cc1cc(NC(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n(C(C)(C)C)n1 ZINC000433177360 979121107 /nfs/dbraw/zinc/12/11/07/979121107.db2.gz SCIOHGJTWMBOOM-UHFFFAOYSA-N 2 1 423.605 3.873 20 0 HHADMP COc1cc(C[NH+]2CCCC[C@@H]2C[C@@H](C)O)cc(C[N@H+]2CCCC[C@@H]2C[C@H](C)O)c1 ZINC000433203439 979139143 /nfs/dbraw/zinc/13/91/43/979139143.db2.gz XOAMQSBXMMFFRC-WNXIRNOKSA-N 2 1 418.622 3.946 20 0 HHADMP COc1cc(C[NH+]2CCCC[C@@H]2C[C@H](C)O)cc(C[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)c1 ZINC000433203439 979139148 /nfs/dbraw/zinc/13/91/48/979139148.db2.gz XOAMQSBXMMFFRC-WNXIRNOKSA-N 2 1 418.622 3.946 20 0 HHADMP COc1cc(C[NH+]2CCCC[C@@H]2C[C@H](C)O)cc(C[N@H+]2CCCC[C@@H]2C[C@@H](C)O)c1 ZINC000433203439 979139154 /nfs/dbraw/zinc/13/91/54/979139154.db2.gz XOAMQSBXMMFFRC-WNXIRNOKSA-N 2 1 418.622 3.946 20 0 HHADMP Cc1ccccc1CCNC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433212662 979146343 /nfs/dbraw/zinc/14/63/43/979146343.db2.gz KXVVQMBZDYMQEW-UHFFFAOYSA-N 2 1 405.586 3.642 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(-c2ccco2)nn1C(C)C ZINC000433892951 979656333 /nfs/dbraw/zinc/65/63/33/979656333.db2.gz IEALFNXOZSVOAQ-GOSISDBHSA-N 2 1 416.570 3.604 20 0 HHADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000434349374 980109173 /nfs/dbraw/zinc/10/91/73/980109173.db2.gz HNBIFADNBQKKRS-QHCPKHFHSA-N 2 1 410.606 3.701 20 0 HHADMP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000434349374 980109175 /nfs/dbraw/zinc/10/91/75/980109175.db2.gz HNBIFADNBQKKRS-QHCPKHFHSA-N 2 1 410.606 3.701 20 0 HHADMP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000434349374 980109176 /nfs/dbraw/zinc/10/91/76/980109176.db2.gz HNBIFADNBQKKRS-QHCPKHFHSA-N 2 1 410.606 3.701 20 0 HHADMP CC[NH+](CC)CC1CC[NH+](Cc2csc(CC(=O)Nc3ccccc3)n2)CC1 ZINC000434623627 980304251 /nfs/dbraw/zinc/30/42/51/980304251.db2.gz MFIAGDMXNQSDAQ-UHFFFAOYSA-N 2 1 400.592 3.878 20 0 HHADMP Cc1cc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435284960 980759885 /nfs/dbraw/zinc/75/98/85/980759885.db2.gz MKLURFYXYUEWQZ-IFMALSPDSA-N 2 1 409.578 3.842 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000436270446 981278701 /nfs/dbraw/zinc/27/87/01/981278701.db2.gz APSGAVNUXKHZLH-WHSGIHJSSA-N 2 1 411.590 3.942 20 0 HHADMP COc1cc(-c2noc(CCCCC[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)n2)ccc1O ZINC000436742531 981541336 /nfs/dbraw/zinc/54/13/36/981541336.db2.gz WMRJOFJTIYPCGY-QRVBRYPASA-N 2 1 414.550 3.626 20 0 HHADMP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448208982 981622964 /nfs/dbraw/zinc/62/29/64/981622964.db2.gz MTAWTQIHVSFXRC-ISKFKSNPSA-N 2 1 410.606 3.557 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000448210964 981624833 /nfs/dbraw/zinc/62/48/33/981624833.db2.gz DVAOOSSXJHFKGD-MZYLBHOOSA-N 2 1 400.611 3.707 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000448210964 981624835 /nfs/dbraw/zinc/62/48/35/981624835.db2.gz DVAOOSSXJHFKGD-MZYLBHOOSA-N 2 1 400.611 3.707 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000448210964 981624840 /nfs/dbraw/zinc/62/48/40/981624840.db2.gz DVAOOSSXJHFKGD-MZYLBHOOSA-N 2 1 400.611 3.707 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000448217959 981632458 /nfs/dbraw/zinc/63/24/58/981632458.db2.gz QXYJNPKXUKCHLJ-XUZZJYLKSA-N 2 1 410.606 3.618 20 0 HHADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C1 ZINC000448221244 981636082 /nfs/dbraw/zinc/63/60/82/981636082.db2.gz XIZUCDFUFOYMBV-LJQANCHMSA-N 2 1 422.564 3.596 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C1 ZINC000448221244 981636083 /nfs/dbraw/zinc/63/60/83/981636083.db2.gz XIZUCDFUFOYMBV-LJQANCHMSA-N 2 1 422.564 3.596 20 0 HHADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1ccc2cc(Br)ccc2c1 ZINC000448246270 981651788 /nfs/dbraw/zinc/65/17/88/981651788.db2.gz AROFCJXHVJJOLD-UHFFFAOYSA-N 2 1 418.379 3.700 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000437043793 981714286 /nfs/dbraw/zinc/71/42/86/981714286.db2.gz WCSJKJWLPYMDCF-DQEYMECFSA-N 2 1 405.586 3.879 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000437043793 981714290 /nfs/dbraw/zinc/71/42/90/981714290.db2.gz WCSJKJWLPYMDCF-DQEYMECFSA-N 2 1 405.586 3.879 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000437043793 981714296 /nfs/dbraw/zinc/71/42/96/981714296.db2.gz WCSJKJWLPYMDCF-DQEYMECFSA-N 2 1 405.586 3.879 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000437048412 981718935 /nfs/dbraw/zinc/71/89/35/981718935.db2.gz ZGEGJYPRLSJQJL-XMMPIXPASA-N 2 1 405.586 3.879 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)[C@H](C)C1 ZINC000448468724 981807240 /nfs/dbraw/zinc/80/72/40/981807240.db2.gz WGZVCPJFWVKEAG-MZKRTTBSSA-N 2 1 400.611 3.790 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)[C@H](C)C1 ZINC000448468724 981807246 /nfs/dbraw/zinc/80/72/46/981807246.db2.gz WGZVCPJFWVKEAG-MZKRTTBSSA-N 2 1 400.611 3.790 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)[C@H](C)C1 ZINC000448468724 981807256 /nfs/dbraw/zinc/80/72/56/981807256.db2.gz WGZVCPJFWVKEAG-MZKRTTBSSA-N 2 1 400.611 3.790 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCCC2)[C@H](C)C1 ZINC000448523544 981851492 /nfs/dbraw/zinc/85/14/92/981851492.db2.gz YYQAJGSROMINFS-NFBKMPQASA-N 2 1 400.611 3.934 20 0 HHADMP O=C(NCCCCC[NH+]1CCCCC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460319284 982097199 /nfs/dbraw/zinc/09/71/99/982097199.db2.gz NRWAHSAMDZCSLW-BJKOFHAPSA-N 2 1 412.622 3.806 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000437548212 982178179 /nfs/dbraw/zinc/17/81/79/982178179.db2.gz KQTTXQBPHXUMJQ-AUSIDOKSSA-N 2 1 413.610 3.703 20 0 HHADMP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000437770012 982344904 /nfs/dbraw/zinc/34/49/04/982344904.db2.gz FYWJRVQHHNTDDV-AOYPEHQESA-N 2 1 421.585 3.947 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000460561289 982347098 /nfs/dbraw/zinc/34/70/98/982347098.db2.gz WCNXQFZYSOKQDH-NDBXHCKUSA-N 2 1 418.585 3.595 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000460561289 982347107 /nfs/dbraw/zinc/34/71/07/982347107.db2.gz WCNXQFZYSOKQDH-NDBXHCKUSA-N 2 1 418.585 3.595 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000460561289 982347111 /nfs/dbraw/zinc/34/71/11/982347111.db2.gz WCNXQFZYSOKQDH-NDBXHCKUSA-N 2 1 418.585 3.595 20 0 HHADMP C[C@H]([NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000437787958 982357484 /nfs/dbraw/zinc/35/74/84/982357484.db2.gz SHPZVOPZHAKUCY-LNLGZHKDSA-N 2 1 409.574 3.836 20 0 HHADMP Cc1ccc2cc(C[NH2+]Cc3cccc(C[N@H+]4CCC[C@@H](C(N)=O)C4)c3)ccc2n1 ZINC000438186259 982640044 /nfs/dbraw/zinc/64/00/44/982640044.db2.gz GLFPWTKPXWEISO-HSZRJFAPSA-N 2 1 402.542 3.530 20 0 HHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1 ZINC000461396974 983068304 /nfs/dbraw/zinc/06/83/04/983068304.db2.gz CUCLITWHWYPCES-UHFFFAOYSA-N 2 1 418.607 4.000 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000438840723 983108855 /nfs/dbraw/zinc/10/88/55/983108855.db2.gz NYPHORJSHDFZRB-ZCNNSNEGSA-N 2 1 415.626 3.663 20 0 HHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000439076382 983239264 /nfs/dbraw/zinc/23/92/64/983239264.db2.gz JDQQXTOEIKCYHO-QZTJIDSGSA-N 2 1 411.546 3.725 20 0 HHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000439076382 983239266 /nfs/dbraw/zinc/23/92/66/983239266.db2.gz JDQQXTOEIKCYHO-QZTJIDSGSA-N 2 1 411.546 3.725 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000439230500 983320694 /nfs/dbraw/zinc/32/06/94/983320694.db2.gz SAOLMVHWKIZKHE-AZUAARDMSA-N 2 1 400.592 3.657 20 0 HHADMP Cc1cc(NC(=O)N(C)CCC[NH+]2CCCC2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000439457694 983419098 /nfs/dbraw/zinc/41/90/98/983419098.db2.gz RCTRUMLBDLNOLA-JOCHJYFZSA-N 2 1 424.593 3.588 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000439733023 983518663 /nfs/dbraw/zinc/51/86/63/983518663.db2.gz MQNKPRUCBIPQHO-YADARESESA-N 2 1 424.564 3.917 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000439733023 983518665 /nfs/dbraw/zinc/51/86/65/983518665.db2.gz MQNKPRUCBIPQHO-YADARESESA-N 2 1 424.564 3.917 20 0 HHADMP CC(C)N(CC[NH+](C)C)C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000440084955 983638058 /nfs/dbraw/zinc/63/80/58/983638058.db2.gz ZBTQHWUFCHAYDF-UHFFFAOYSA-N 2 1 414.516 3.651 20 0 HHADMP O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC000440104607 983646150 /nfs/dbraw/zinc/64/61/50/983646150.db2.gz MOUDQXOZYJQQPX-JOCHJYFZSA-N 2 1 412.578 3.847 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000440185193 983674324 /nfs/dbraw/zinc/67/43/24/983674324.db2.gz JLOVRXCEPLEBFF-GBXCKJPGSA-N 2 1 421.589 3.523 20 0 HHADMP C[N@H+]1CCN(CCC[NH2+]Cc2cnc(-c3ccncc3)s2)[C@@H](c2ccccc2)C1 ZINC000440326785 983722791 /nfs/dbraw/zinc/72/27/91/983722791.db2.gz LWJJIUAZEXPXJG-JOCHJYFZSA-N 2 1 407.587 3.674 20 0 HHADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3c(-c4ccccc4)nc4ccccn43)CC2)CC1 ZINC000441069693 984054313 /nfs/dbraw/zinc/05/43/13/984054313.db2.gz WPQQPUOOPSIJJL-UHFFFAOYSA-N 2 1 417.601 3.992 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCC(=O)Nc1c(Cl)cccc1Cl ZINC000441252896 984139740 /nfs/dbraw/zinc/13/97/40/984139740.db2.gz GZYDKDGXHWNTGZ-KBRIMQKVSA-N 2 1 400.350 3.506 20 0 HHADMP CN(C)c1cccc([C@@H]2CCC[N@H+]2CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000441346050 984199695 /nfs/dbraw/zinc/19/96/95/984199695.db2.gz MPMHRIHVXPMAQE-VWLOTQADSA-N 2 1 420.601 3.802 20 0 HHADMP O=C(CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1cccc(Br)c1 ZINC000441398886 984230592 /nfs/dbraw/zinc/23/05/92/984230592.db2.gz DCYFNFBEBOEBTK-KXBFYZLASA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1cccc(Br)c1 ZINC000441398886 984230593 /nfs/dbraw/zinc/23/05/93/984230593.db2.gz DCYFNFBEBOEBTK-KXBFYZLASA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1cccc(Br)c1 ZINC000441398886 984230596 /nfs/dbraw/zinc/23/05/96/984230596.db2.gz DCYFNFBEBOEBTK-KXBFYZLASA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1cccc(Br)c1 ZINC000441398886 984230602 /nfs/dbraw/zinc/23/06/02/984230602.db2.gz DCYFNFBEBOEBTK-KXBFYZLASA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1cccc(Br)c1 ZINC000441398881 984230633 /nfs/dbraw/zinc/23/06/33/984230633.db2.gz DCYFNFBEBOEBTK-BEFAXECRSA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1cccc(Br)c1 ZINC000441398881 984230635 /nfs/dbraw/zinc/23/06/35/984230635.db2.gz DCYFNFBEBOEBTK-BEFAXECRSA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1cccc(Br)c1 ZINC000441398881 984230642 /nfs/dbraw/zinc/23/06/42/984230642.db2.gz DCYFNFBEBOEBTK-BEFAXECRSA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1cccc(Br)c1 ZINC000441398881 984230645 /nfs/dbraw/zinc/23/06/45/984230645.db2.gz DCYFNFBEBOEBTK-BEFAXECRSA-N 2 1 406.368 3.726 20 0 HHADMP COCC[NH+]1CCC([NH2+]Cc2ccccc2-c2ccc(Cn3cccn3)cc2)CC1 ZINC000462027130 985004366 /nfs/dbraw/zinc/00/43/66/985004366.db2.gz LMNXCDMFPWMVCB-UHFFFAOYSA-N 2 1 404.558 3.799 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000462172402 985151193 /nfs/dbraw/zinc/15/11/93/985151193.db2.gz YYMFOPGMJHDITB-NAZDKBRTSA-N 2 1 421.585 3.546 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000462172402 985151196 /nfs/dbraw/zinc/15/11/96/985151196.db2.gz YYMFOPGMJHDITB-NAZDKBRTSA-N 2 1 421.585 3.546 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000462172402 985151206 /nfs/dbraw/zinc/15/12/06/985151206.db2.gz YYMFOPGMJHDITB-NAZDKBRTSA-N 2 1 421.585 3.546 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000462172402 985151210 /nfs/dbraw/zinc/15/12/10/985151210.db2.gz YYMFOPGMJHDITB-NAZDKBRTSA-N 2 1 421.585 3.546 20 0 HHADMP CSc1ccccc1[C@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000442722638 985185469 /nfs/dbraw/zinc/18/54/69/985185469.db2.gz XVBLEGODOICYPR-SFHVURJKSA-N 2 1 413.587 3.920 20 0 HHADMP Cc1cc(CNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc(N2CCCC2)[nH+]1 ZINC000462264442 985253597 /nfs/dbraw/zinc/25/35/97/985253597.db2.gz YCAODJXHLHJXDZ-RTWAWAEBSA-N 2 1 413.610 3.786 20 0 HHADMP Cc1cc(CNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc(N2CCCC2)[nH+]1 ZINC000462264442 985253604 /nfs/dbraw/zinc/25/36/04/985253604.db2.gz YCAODJXHLHJXDZ-RTWAWAEBSA-N 2 1 413.610 3.786 20 0 HHADMP C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442874712 985254646 /nfs/dbraw/zinc/25/46/46/985254646.db2.gz NNUXQVOIJSBYLZ-KSSFIOAISA-N 2 1 412.441 3.848 20 0 HHADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000462265220 985255703 /nfs/dbraw/zinc/25/57/03/985255703.db2.gz GXIWFBDSDLAQLE-NHCUHLMSSA-N 2 1 401.599 3.690 20 0 HHADMP C[C@H](NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)C(C)(C)C[NH+](C)C ZINC000443232707 985455318 /nfs/dbraw/zinc/45/53/18/985455318.db2.gz WUOROMSKWBZWTP-SFHVURJKSA-N 2 1 400.567 3.687 20 0 HHADMP C[C@H](NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)C(C)(C)C[NH+](C)C ZINC000443232707 985455323 /nfs/dbraw/zinc/45/53/23/985455323.db2.gz WUOROMSKWBZWTP-SFHVURJKSA-N 2 1 400.567 3.687 20 0 HHADMP CCN(C(=O)NCC1(SC)CC[NH+](C)CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000462510647 985461890 /nfs/dbraw/zinc/46/18/90/985461890.db2.gz LQKBZABQCQYTLN-TZIWHRDSSA-N 2 1 418.651 3.681 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000462746906 985687861 /nfs/dbraw/zinc/68/78/61/985687861.db2.gz VJVKFEVWDKRXTF-WWNPGLIZSA-N 2 1 400.611 3.660 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000462746906 985687868 /nfs/dbraw/zinc/68/78/68/985687868.db2.gz VJVKFEVWDKRXTF-WWNPGLIZSA-N 2 1 400.611 3.660 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000462746906 985687872 /nfs/dbraw/zinc/68/78/72/985687872.db2.gz VJVKFEVWDKRXTF-WWNPGLIZSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462748834 985690090 /nfs/dbraw/zinc/69/00/90/985690090.db2.gz FSVRESFFKVSXHG-IRLDBZIGSA-N 2 1 400.611 3.660 20 0 HHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC000462750037 985691271 /nfs/dbraw/zinc/69/12/71/985691271.db2.gz LQQHJSJVTZDQQI-BJKOFHAPSA-N 2 1 412.622 3.662 20 0 HHADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000462750037 985691277 /nfs/dbraw/zinc/69/12/77/985691277.db2.gz LQQHJSJVTZDQQI-BJKOFHAPSA-N 2 1 412.622 3.662 20 0 HHADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000462750037 985691284 /nfs/dbraw/zinc/69/12/84/985691284.db2.gz LQQHJSJVTZDQQI-BJKOFHAPSA-N 2 1 412.622 3.662 20 0 HHADMP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000468060800 985718795 /nfs/dbraw/zinc/71/87/95/985718795.db2.gz SRIXPSLLVNFFJJ-RJGXRXQPSA-N 2 1 409.574 3.988 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Cc1ccc(Cl)c(F)c1 ZINC000468325139 986020038 /nfs/dbraw/zinc/02/00/38/986020038.db2.gz AHKSAZUSYYEVDM-UHFFFAOYSA-N 2 1 409.977 3.676 20 0 HHADMP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463076533 986033823 /nfs/dbraw/zinc/03/38/23/986033823.db2.gz BPSDMZOHTRCFHL-UGKGYDQZSA-N 2 1 415.603 3.516 20 0 HHADMP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463076533 986033835 /nfs/dbraw/zinc/03/38/35/986033835.db2.gz BPSDMZOHTRCFHL-UGKGYDQZSA-N 2 1 415.603 3.516 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463082288 986039890 /nfs/dbraw/zinc/03/98/90/986039890.db2.gz BPUKUOGLTULKQB-YKSBVNFPSA-N 2 1 421.585 3.529 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463082288 986039900 /nfs/dbraw/zinc/03/99/00/986039900.db2.gz BPUKUOGLTULKQB-YKSBVNFPSA-N 2 1 421.585 3.529 20 0 HHADMP Cc1nc2ccccc2n1CCCCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000463112432 986075781 /nfs/dbraw/zinc/07/57/81/986075781.db2.gz UNPYMNVBUVRWMD-AIZNXBIQSA-N 2 1 409.622 3.758 20 0 HHADMP Clc1ccc(N2CCOCC2)c(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000463235649 986203647 /nfs/dbraw/zinc/20/36/47/986203647.db2.gz HYRPWHYWRXTXBR-UHFFFAOYSA-N 2 1 413.993 3.973 20 0 HHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCOc3cccc(C(F)(F)F)n3)CC2)cc1 ZINC000463276410 986242892 /nfs/dbraw/zinc/24/28/92/986242892.db2.gz YSMABXKRBJHUCV-UHFFFAOYSA-N 2 1 411.443 3.915 20 0 HHADMP C[C@H](C[NH2+]Cc1cc(Br)cc(Br)c1N)C[NH+]1CCCC1 ZINC000463292372 986258822 /nfs/dbraw/zinc/25/88/22/986258822.db2.gz STXCGBKNPNFGSZ-LLVKDONJSA-N 2 1 405.178 3.615 20 0 HHADMP Cc1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)N2CCOCC2)o1 ZINC000463296380 986263985 /nfs/dbraw/zinc/26/39/85/986263985.db2.gz TWAOMTWZLAFZLU-UCBGAZFYSA-N 2 1 409.574 3.747 20 0 HHADMP Cc1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)N2CCOCC2)o1 ZINC000463296380 986263993 /nfs/dbraw/zinc/26/39/93/986263993.db2.gz TWAOMTWZLAFZLU-UCBGAZFYSA-N 2 1 409.574 3.747 20 0 HHADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000468796694 986506505 /nfs/dbraw/zinc/50/65/05/986506505.db2.gz CKBHPKGQPGZOOV-VIZSFHNOSA-N 2 1 409.574 3.833 20 0 HHADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000468796694 986506509 /nfs/dbraw/zinc/50/65/09/986506509.db2.gz CKBHPKGQPGZOOV-VIZSFHNOSA-N 2 1 409.574 3.833 20 0 HHADMP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000468815821 986525252 /nfs/dbraw/zinc/52/52/52/986525252.db2.gz CUVRZJMHQYJRNU-UHFFFAOYSA-N 2 1 417.435 3.548 20 0 HHADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)cc2)CC1 ZINC000444449088 986633851 /nfs/dbraw/zinc/63/38/51/986633851.db2.gz LVUKDCCPFAISTD-IBGZPJMESA-N 2 1 417.557 3.814 20 0 HHADMP O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000444460978 986642689 /nfs/dbraw/zinc/64/26/89/986642689.db2.gz MXMNFEWSPVMGET-XMMPIXPASA-N 2 1 407.558 3.637 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000444589005 986774874 /nfs/dbraw/zinc/77/48/74/986774874.db2.gz HLZFNKPXTBQIKQ-RBUKOAKNSA-N 2 1 417.557 3.988 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000444589005 986774884 /nfs/dbraw/zinc/77/48/84/986774884.db2.gz HLZFNKPXTBQIKQ-RBUKOAKNSA-N 2 1 417.557 3.988 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cc1 ZINC000444599644 986786608 /nfs/dbraw/zinc/78/66/08/986786608.db2.gz XCUXMGMUVYRACY-AVRDEDQJSA-N 2 1 405.546 3.714 20 0 HHADMP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000469278859 986998166 /nfs/dbraw/zinc/99/81/66/986998166.db2.gz VFQYJCPTJAIKLD-IBGZPJMESA-N 2 1 414.516 3.653 20 0 HHADMP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[N@@H+](Cc4ccccc4)C[C@@H]3C)cc2)CC1 ZINC000469696421 987353709 /nfs/dbraw/zinc/35/37/09/987353709.db2.gz UXRXEZOQTSZFKL-QFIPXVFZSA-N 2 1 420.601 3.565 20 0 HHADMP C[C@@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000469744033 987394559 /nfs/dbraw/zinc/39/45/59/987394559.db2.gz ISLSLVDEFKAUGF-CABCVRRESA-N 2 1 403.477 3.588 20 0 HHADMP C[C@@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000469744033 987394568 /nfs/dbraw/zinc/39/45/68/987394568.db2.gz ISLSLVDEFKAUGF-CABCVRRESA-N 2 1 403.477 3.588 20 0 HHADMP C[C@@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000469744041 987394763 /nfs/dbraw/zinc/39/47/63/987394763.db2.gz ISLSLVDEFKAUGF-HUUCEWRRSA-N 2 1 403.477 3.588 20 0 HHADMP C[C@@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000469744041 987394770 /nfs/dbraw/zinc/39/47/70/987394770.db2.gz ISLSLVDEFKAUGF-HUUCEWRRSA-N 2 1 403.477 3.588 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000469756258 987409043 /nfs/dbraw/zinc/40/90/43/987409043.db2.gz GBHBJCHFDFULLM-YOSAUDMPSA-N 2 1 405.586 3.926 20 0 HHADMP CC(C)Oc1cccc(CNC(=O)C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000469759726 987413537 /nfs/dbraw/zinc/41/35/37/987413537.db2.gz CHUHOTVUJUJCSJ-SFTDATJTSA-N 2 1 423.601 3.836 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000469761656 987415035 /nfs/dbraw/zinc/41/50/35/987415035.db2.gz AVGZBHDWEJRWNN-IRXDYDNUSA-N 2 1 417.500 3.973 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000469768133 987420776 /nfs/dbraw/zinc/42/07/76/987420776.db2.gz JMBFTBWQIJHJKU-UCLAMDLLSA-N 2 1 409.618 3.818 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000469768133 987420781 /nfs/dbraw/zinc/42/07/81/987420781.db2.gz JMBFTBWQIJHJKU-UCLAMDLLSA-N 2 1 409.618 3.818 20 0 HHADMP C[C@H]([NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000469776783 987426501 /nfs/dbraw/zinc/42/65/01/987426501.db2.gz SMDSYGRFOIENJT-JKSBSHDWSA-N 2 1 405.533 3.698 20 0 HHADMP CCOCc1ccccc1CNC(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000469787008 987432093 /nfs/dbraw/zinc/43/20/93/987432093.db2.gz MSXYZNRLXOLQPZ-ACWUQQCTSA-N 2 1 423.601 3.586 20 0 HHADMP CCOCc1ccccc1CNC(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000469787008 987432104 /nfs/dbraw/zinc/43/21/04/987432104.db2.gz MSXYZNRLXOLQPZ-ACWUQQCTSA-N 2 1 423.601 3.586 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000469791173 987435978 /nfs/dbraw/zinc/43/59/78/987435978.db2.gz PXLDWBSYZWCYJB-WFXMLNOXSA-N 2 1 410.002 3.586 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000469791173 987435980 /nfs/dbraw/zinc/43/59/80/987435980.db2.gz PXLDWBSYZWCYJB-WFXMLNOXSA-N 2 1 410.002 3.586 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000463964084 988076543 /nfs/dbraw/zinc/07/65/43/988076543.db2.gz LIGDJGSKVGUUJB-YADHBBJMSA-N 2 1 410.562 3.580 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cccs1 ZINC000463972359 988084664 /nfs/dbraw/zinc/08/46/64/988084664.db2.gz VYWKAIUOSXLMSK-MDZRGWNJSA-N 2 1 406.621 3.795 20 0 HHADMP C[C@H](C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1cccc(Cl)c1 ZINC000470197917 988118890 /nfs/dbraw/zinc/11/88/90/988118890.db2.gz MBTGIQUAHRISIM-GOSISDBHSA-N 2 1 415.965 3.894 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)c1)C1CCOCC1 ZINC000464062958 988185359 /nfs/dbraw/zinc/18/53/59/988185359.db2.gz SKSKFGZXKVALQL-YTFSRNRJSA-N 2 1 416.606 3.861 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1 ZINC000470279398 988234605 /nfs/dbraw/zinc/23/46/05/988234605.db2.gz KKWHRVNOQXTDJZ-QFBILLFUSA-N 2 1 414.516 3.681 20 0 HHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470282843 988238658 /nfs/dbraw/zinc/23/86/58/988238658.db2.gz LKCSQHPANUWOLL-GOTSBHOMSA-N 2 1 400.611 3.516 20 0 HHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470282843 988238665 /nfs/dbraw/zinc/23/86/65/988238665.db2.gz LKCSQHPANUWOLL-GOTSBHOMSA-N 2 1 400.611 3.516 20 0 HHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470282843 988238671 /nfs/dbraw/zinc/23/86/71/988238671.db2.gz LKCSQHPANUWOLL-GOTSBHOMSA-N 2 1 400.611 3.516 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)[C@@H](C)C1 ZINC000470287093 988243926 /nfs/dbraw/zinc/24/39/26/988243926.db2.gz YBNYAECXPMJPBS-ZYSHUDEJSA-N 2 1 414.516 3.680 20 0 HHADMP CC(C)[NH+](CCCNC(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000470502854 988498452 /nfs/dbraw/zinc/49/84/52/988498452.db2.gz MTYMATMXBVTFGU-SFTDATJTSA-N 2 1 418.626 3.604 20 0 HHADMP CC[NH+]1CCN(c2ccc(C(=O)N(C)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000470674341 988697747 /nfs/dbraw/zinc/69/77/47/988697747.db2.gz LEPHVDHKGVVDPB-VWLOTQADSA-N 2 1 420.601 3.565 20 0 HHADMP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c2ccccc2)CC1 ZINC000470733274 988766871 /nfs/dbraw/zinc/76/68/71/988766871.db2.gz QPMQQRLVRWOVKC-ISKFKSNPSA-N 2 1 412.622 3.833 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000470744485 988783904 /nfs/dbraw/zinc/78/39/04/988783904.db2.gz GYMNJHQBNLPOKB-XJUOHMSHSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000470744485 988783914 /nfs/dbraw/zinc/78/39/14/988783914.db2.gz GYMNJHQBNLPOKB-XJUOHMSHSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000470744485 988783919 /nfs/dbraw/zinc/78/39/19/988783919.db2.gz GYMNJHQBNLPOKB-XJUOHMSHSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000470752809 988794863 /nfs/dbraw/zinc/79/48/63/988794863.db2.gz BOMRCQRQXCTCRW-HYBUGGRVSA-N 2 1 412.622 3.934 20 0 HHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000470752809 988794874 /nfs/dbraw/zinc/79/48/74/988794874.db2.gz BOMRCQRQXCTCRW-HYBUGGRVSA-N 2 1 412.622 3.934 20 0 HHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000470752809 988794885 /nfs/dbraw/zinc/79/48/85/988794885.db2.gz BOMRCQRQXCTCRW-HYBUGGRVSA-N 2 1 412.622 3.934 20 0 HHADMP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000464670414 988867798 /nfs/dbraw/zinc/86/77/98/988867798.db2.gz MNAKUFGULQQFHJ-CTNGQTDRSA-N 2 1 411.512 3.631 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)C1 ZINC000464956215 989254445 /nfs/dbraw/zinc/25/44/45/989254445.db2.gz WWGGVCZTZNYDQT-NFBKMPQASA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1 ZINC000464956215 989254453 /nfs/dbraw/zinc/25/44/53/989254453.db2.gz WWGGVCZTZNYDQT-NFBKMPQASA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000464956215 989254462 /nfs/dbraw/zinc/25/44/62/989254462.db2.gz WWGGVCZTZNYDQT-NFBKMPQASA-N 2 1 400.611 3.838 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC000471273255 989423033 /nfs/dbraw/zinc/42/30/33/989423033.db2.gz OAMIRDZYIDOFTD-PQNGQFLHSA-N 2 1 421.585 3.548 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC000471273255 989423044 /nfs/dbraw/zinc/42/30/44/989423044.db2.gz OAMIRDZYIDOFTD-PQNGQFLHSA-N 2 1 421.585 3.548 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC[NH+]1CCc2ccccc2C1 ZINC000471381992 989560640 /nfs/dbraw/zinc/56/06/40/989560640.db2.gz DRNSYEQKCLZVKM-QHCPKHFHSA-N 2 1 405.586 3.805 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000471381992 989560642 /nfs/dbraw/zinc/56/06/42/989560642.db2.gz DRNSYEQKCLZVKM-QHCPKHFHSA-N 2 1 405.586 3.805 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000471381992 989560644 /nfs/dbraw/zinc/56/06/44/989560644.db2.gz DRNSYEQKCLZVKM-QHCPKHFHSA-N 2 1 405.586 3.805 20 0 HHADMP C[C@H]1CCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000465431591 989776274 /nfs/dbraw/zinc/77/62/74/989776274.db2.gz KINOKFUKQUYFHD-URXFXBBRSA-N 2 1 406.574 3.567 20 0 HHADMP C[C@H]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000465431591 989776283 /nfs/dbraw/zinc/77/62/83/989776283.db2.gz KINOKFUKQUYFHD-URXFXBBRSA-N 2 1 406.574 3.567 20 0 HHADMP C[C@H]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000465431591 989776287 /nfs/dbraw/zinc/77/62/87/989776287.db2.gz KINOKFUKQUYFHD-URXFXBBRSA-N 2 1 406.574 3.567 20 0 HHADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471589517 989793261 /nfs/dbraw/zinc/79/32/61/989793261.db2.gz GNBYJOGOELVPQH-PLQXJYEYSA-N 2 1 418.585 3.556 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000471683398 989887401 /nfs/dbraw/zinc/88/74/01/989887401.db2.gz UAALANZSXBTTMO-JOCHJYFZSA-N 2 1 424.564 3.611 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CCCCC1 ZINC000465532387 989891847 /nfs/dbraw/zinc/89/18/47/989891847.db2.gz FGMLYTZTANGUAP-ZVDOUQERSA-N 2 1 406.640 3.941 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000471729379 989924829 /nfs/dbraw/zinc/92/48/29/989924829.db2.gz UQVJCABBBOOADP-JCTONOIOSA-N 2 1 406.574 3.643 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000471729379 989924831 /nfs/dbraw/zinc/92/48/31/989924831.db2.gz UQVJCABBBOOADP-JCTONOIOSA-N 2 1 406.574 3.643 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000471729379 989924834 /nfs/dbraw/zinc/92/48/34/989924834.db2.gz UQVJCABBBOOADP-JCTONOIOSA-N 2 1 406.574 3.643 20 0 HHADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000465587824 989963177 /nfs/dbraw/zinc/96/31/77/989963177.db2.gz APIVIEQUSRDOIR-JOCHJYFZSA-N 2 1 419.013 3.868 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000465647864 990034090 /nfs/dbraw/zinc/03/40/90/990034090.db2.gz BPTHTUHTMBWMAI-UHFFFAOYSA-N 2 1 410.562 3.585 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000465647864 990034097 /nfs/dbraw/zinc/03/40/97/990034097.db2.gz BPTHTUHTMBWMAI-UHFFFAOYSA-N 2 1 410.562 3.585 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000465676575 990062369 /nfs/dbraw/zinc/06/23/69/990062369.db2.gz ABQODXUZCRXDIO-FYYLOGMGSA-N 2 1 400.611 3.662 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000465694790 990080971 /nfs/dbraw/zinc/08/09/71/990080971.db2.gz QHHHVTIVMGAXBP-LOSJGSFVSA-N 2 1 420.601 3.815 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000465694790 990080990 /nfs/dbraw/zinc/08/09/90/990080990.db2.gz QHHHVTIVMGAXBP-LOSJGSFVSA-N 2 1 420.601 3.815 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000465694790 990080991 /nfs/dbraw/zinc/08/09/91/990080991.db2.gz QHHHVTIVMGAXBP-LOSJGSFVSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@H]1CCN(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000465700456 990086824 /nfs/dbraw/zinc/08/68/24/990086824.db2.gz YGIFPGBONAUUQT-CVDCTZTESA-N 2 1 412.553 3.734 20 0 HHADMP C[NH+](CCNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)C1CCCCC1 ZINC000465787528 990169549 /nfs/dbraw/zinc/16/95/49/990169549.db2.gz UEUFWTFEFJOYFC-UHFFFAOYSA-N 2 1 412.578 3.975 20 0 HHADMP C[NH+](CCNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)C1CCCCC1 ZINC000465787528 990169566 /nfs/dbraw/zinc/16/95/66/990169566.db2.gz UEUFWTFEFJOYFC-UHFFFAOYSA-N 2 1 412.578 3.975 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000465787528 990169571 /nfs/dbraw/zinc/16/95/71/990169571.db2.gz UEUFWTFEFJOYFC-UHFFFAOYSA-N 2 1 412.578 3.975 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000465787528 990169574 /nfs/dbraw/zinc/16/95/74/990169574.db2.gz UEUFWTFEFJOYFC-UHFFFAOYSA-N 2 1 412.578 3.975 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)c1ccco1 ZINC000465816775 990199658 /nfs/dbraw/zinc/19/96/58/990199658.db2.gz QOMPIPPTCAWZJW-IRLDBZIGSA-N 2 1 412.578 3.969 20 0 HHADMP CCSc1cccc(C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)c1 ZINC000472062386 990225560 /nfs/dbraw/zinc/22/55/60/990225560.db2.gz KAEBIUHTSRGCPV-UHFFFAOYSA-N 2 1 413.587 3.749 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000465895530 991021693 /nfs/dbraw/zinc/02/16/93/991021693.db2.gz BZGVESIGMTZLEJ-QNWVGRARSA-N 2 1 400.611 3.803 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000465932753 991068496 /nfs/dbraw/zinc/06/84/96/991068496.db2.gz RNOJVBBXVPYHMA-RPBOFIJWSA-N 2 1 420.601 3.815 20 0 HHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000465932753 991068502 /nfs/dbraw/zinc/06/85/02/991068502.db2.gz RNOJVBBXVPYHMA-RPBOFIJWSA-N 2 1 420.601 3.815 20 0 HHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000465932753 991068510 /nfs/dbraw/zinc/06/85/10/991068510.db2.gz RNOJVBBXVPYHMA-RPBOFIJWSA-N 2 1 420.601 3.815 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000465939981 991077853 /nfs/dbraw/zinc/07/78/53/991077853.db2.gz JLEITZLMIZCFHI-HSZRJFAPSA-N 2 1 400.611 3.792 20 0 HHADMP C[C@@H]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000465952536 991091336 /nfs/dbraw/zinc/09/13/36/991091336.db2.gz KSXOBXWWAKQCJD-JOCHJYFZSA-N 2 1 400.611 3.949 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000466008581 991174498 /nfs/dbraw/zinc/17/44/98/991174498.db2.gz YASJLVDYXAWYRJ-UHFFFAOYSA-N 2 1 424.589 3.929 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000466008581 991174506 /nfs/dbraw/zinc/17/45/06/991174506.db2.gz YASJLVDYXAWYRJ-UHFFFAOYSA-N 2 1 424.589 3.929 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C[N@H+]1Cc1ccccc1 ZINC000466228575 991450979 /nfs/dbraw/zinc/45/09/79/991450979.db2.gz WFAJGKJZHKDHBG-GBXCKJPGSA-N 2 1 406.574 3.745 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000466530739 991828988 /nfs/dbraw/zinc/82/89/88/991828988.db2.gz RRIJTJXXWDPZBD-QPPBQGQZSA-N 2 1 420.601 3.955 20 0 HHADMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000466730964 992040336 /nfs/dbraw/zinc/04/03/36/992040336.db2.gz JKFGXNXIWBODBA-RBUKOAKNSA-N 2 1 415.578 3.821 20 0 HHADMP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000466731640 992041709 /nfs/dbraw/zinc/04/17/09/992041709.db2.gz QRCBNKCBAHXKCS-INIZCTEOSA-N 2 1 404.942 3.885 20 0 HHADMP C[C@H]1C[C@H](NC(=O)NCc2ccc(CC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000466783725 992091422 /nfs/dbraw/zinc/09/14/22/992091422.db2.gz ZQVQVALMZYVVKJ-GBXCKJPGSA-N 2 1 408.590 3.643 20 0 HHADMP C[C@@H](NC(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000466796705 992103340 /nfs/dbraw/zinc/10/33/40/992103340.db2.gz RFBAWUKNMMPOAO-HYBUGGRVSA-N 2 1 408.590 3.501 20 0 HHADMP C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466932389 992244117 /nfs/dbraw/zinc/24/41/17/992244117.db2.gz ABANLQWKKPAZBO-INIZCTEOSA-N 2 1 413.484 3.609 20 0 HHADMP O=C(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)Nc1cccc(Oc2ccccc2)c1 ZINC000467209262 992533716 /nfs/dbraw/zinc/53/37/16/992533716.db2.gz ZGKOYEQJVKOXOF-UHFFFAOYSA-N 2 1 423.557 3.994 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000467547061 992826301 /nfs/dbraw/zinc/82/63/01/992826301.db2.gz DZEDAGUYDORGQT-SQJMNOBHSA-N 2 1 421.585 3.619 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000467547061 992826307 /nfs/dbraw/zinc/82/63/07/992826307.db2.gz DZEDAGUYDORGQT-SQJMNOBHSA-N 2 1 421.585 3.619 20 0 HHADMP C[C@H](NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472114739 993165945 /nfs/dbraw/zinc/16/59/45/993165945.db2.gz HHYZANCUXCQODG-GPUOULLFSA-N 2 1 420.601 3.718 20 0 HHADMP C[C@H](NC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472114739 993165952 /nfs/dbraw/zinc/16/59/52/993165952.db2.gz HHYZANCUXCQODG-GPUOULLFSA-N 2 1 420.601 3.718 20 0 HHADMP C[C@H](NC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472114739 993165957 /nfs/dbraw/zinc/16/59/57/993165957.db2.gz HHYZANCUXCQODG-GPUOULLFSA-N 2 1 420.601 3.718 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000472309409 993321625 /nfs/dbraw/zinc/32/16/25/993321625.db2.gz IIHUAFQFEFWKJC-QHCPKHFHSA-N 2 1 400.611 3.662 20 0 HHADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000472309409 993321630 /nfs/dbraw/zinc/32/16/30/993321630.db2.gz IIHUAFQFEFWKJC-QHCPKHFHSA-N 2 1 400.611 3.662 20 0 HHADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000472309409 993321637 /nfs/dbraw/zinc/32/16/37/993321637.db2.gz IIHUAFQFEFWKJC-QHCPKHFHSA-N 2 1 400.611 3.662 20 0 HHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1 ZINC000472336246 993344280 /nfs/dbraw/zinc/34/42/80/993344280.db2.gz MCICTZYMVBSAEY-PKTZIBPZSA-N 2 1 410.562 3.974 20 0 HHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000472336247 993344516 /nfs/dbraw/zinc/34/45/16/993344516.db2.gz MCICTZYMVBSAEY-XZOQPEGZSA-N 2 1 410.562 3.974 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472366131 993363155 /nfs/dbraw/zinc/36/31/55/993363155.db2.gz HTRCBRLAFLGSRB-DHLKQENFSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472366131 993363160 /nfs/dbraw/zinc/36/31/60/993363160.db2.gz HTRCBRLAFLGSRB-DHLKQENFSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472366131 993363166 /nfs/dbraw/zinc/36/31/66/993363166.db2.gz HTRCBRLAFLGSRB-DHLKQENFSA-N 2 1 420.601 3.815 20 0 HHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000472369957 993367250 /nfs/dbraw/zinc/36/72/50/993367250.db2.gz SWNMMIDMWNITQM-XMMPIXPASA-N 2 1 408.590 3.590 20 0 HHADMP CC1CC[NH+]([C@H](CNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c2cccs2)CC1 ZINC000472665876 993593693 /nfs/dbraw/zinc/59/36/93/993593693.db2.gz FFNDGMSHHUFHMH-HXUWFJFHSA-N 2 1 421.632 3.561 20 0 HHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccc(-n4ccnc4)cc3)cc2)CC1 ZINC000480725895 993594153 /nfs/dbraw/zinc/59/41/53/993594153.db2.gz ZXHSBYKFDBEIGW-OAQYLSRUSA-N 2 1 403.574 3.861 20 0 HHADMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000480771840 993637397 /nfs/dbraw/zinc/63/73/97/993637397.db2.gz PTCDYJSDFVPBRJ-IBGZPJMESA-N 2 1 415.603 3.806 20 0 HHADMP COc1ccc([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1NC(C)=O ZINC000480779470 993646165 /nfs/dbraw/zinc/64/61/65/993646165.db2.gz LDOXMKHIEXZRKA-NTKDMRAZSA-N 2 1 424.589 3.683 20 0 HHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)[C@H](C)C1 ZINC000480908920 993765098 /nfs/dbraw/zinc/76/50/98/993765098.db2.gz LBOAOPMONVJXQX-AUSIDOKSSA-N 2 1 410.562 3.561 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)[C@H](C)C1 ZINC000480908920 993765106 /nfs/dbraw/zinc/76/51/06/993765106.db2.gz LBOAOPMONVJXQX-AUSIDOKSSA-N 2 1 410.562 3.561 20 0 HHADMP C[C@H]1[C@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000481024412 993867849 /nfs/dbraw/zinc/86/78/49/993867849.db2.gz YNAAXNGRXNRNNN-YADARESESA-N 2 1 424.564 3.752 20 0 HHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCCCSc1ccccc1 ZINC000481190755 994023330 /nfs/dbraw/zinc/02/33/30/994023330.db2.gz LXTXTNBTHKVUON-OFNKIYASSA-N 2 1 411.615 3.785 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCCCSc1ccccc1 ZINC000481190755 994023336 /nfs/dbraw/zinc/02/33/36/994023336.db2.gz LXTXTNBTHKVUON-OFNKIYASSA-N 2 1 411.615 3.785 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCCCSc1ccccc1 ZINC000481190755 994023344 /nfs/dbraw/zinc/02/33/44/994023344.db2.gz LXTXTNBTHKVUON-OFNKIYASSA-N 2 1 411.615 3.785 20 0 HHADMP COc1ccc([C@H](NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C2CC2)cc1 ZINC000481196422 994030189 /nfs/dbraw/zinc/03/01/89/994030189.db2.gz ZBZZBZXPDQHOSW-YQIFXUADSA-N 2 1 421.585 3.763 20 0 HHADMP COc1ccc([C@H](NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C2CC2)cc1 ZINC000481196422 994030194 /nfs/dbraw/zinc/03/01/94/994030194.db2.gz ZBZZBZXPDQHOSW-YQIFXUADSA-N 2 1 421.585 3.763 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000481198583 994032877 /nfs/dbraw/zinc/03/28/77/994032877.db2.gz OHBGMOOMEIAPKW-BKMJKUGQSA-N 2 1 419.613 3.968 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000481198583 994032883 /nfs/dbraw/zinc/03/28/83/994032883.db2.gz OHBGMOOMEIAPKW-BKMJKUGQSA-N 2 1 419.613 3.968 20 0 HHADMP CCOc1ccc(CN(C)C(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481204920 994038122 /nfs/dbraw/zinc/03/81/22/994038122.db2.gz VMJDOVNPLKYXHE-RDPSFJRHSA-N 2 1 409.574 3.544 20 0 HHADMP CCOc1ccc(CN(C)C(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481204920 994038131 /nfs/dbraw/zinc/03/81/31/994038131.db2.gz VMJDOVNPLKYXHE-RDPSFJRHSA-N 2 1 409.574 3.544 20 0 HHADMP CC(C)C[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCCc2cccnc21 ZINC000481348067 994170975 /nfs/dbraw/zinc/17/09/75/994170975.db2.gz PVWRJLLPNKCHKN-PKTZIBPZSA-N 2 1 408.590 3.836 20 0 HHADMP O=C([C@H]1CC[N@@H+]1Cc1ccccc1)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000473496778 994342501 /nfs/dbraw/zinc/34/25/01/994342501.db2.gz GTSQLVZJPHWASI-AOYPEHQESA-N 2 1 403.570 3.776 20 0 HHADMP O=C([C@H]1CC[N@H+]1Cc1ccccc1)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000473496778 994342509 /nfs/dbraw/zinc/34/25/09/994342509.db2.gz GTSQLVZJPHWASI-AOYPEHQESA-N 2 1 403.570 3.776 20 0 HHADMP O=C([C@H]1CC[NH+]1Cc1ccccc1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473496778 994342514 /nfs/dbraw/zinc/34/25/14/994342514.db2.gz GTSQLVZJPHWASI-AOYPEHQESA-N 2 1 403.570 3.776 20 0 HHADMP O=C([C@H]1CC[NH+]1Cc1ccccc1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473496778 994342520 /nfs/dbraw/zinc/34/25/20/994342520.db2.gz GTSQLVZJPHWASI-AOYPEHQESA-N 2 1 403.570 3.776 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000481535555 994366027 /nfs/dbraw/zinc/36/60/27/994366027.db2.gz QGIYVQBRNGCEGK-NHCUHLMSSA-N 3 1 411.590 3.699 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000481535555 994366033 /nfs/dbraw/zinc/36/60/33/994366033.db2.gz QGIYVQBRNGCEGK-NHCUHLMSSA-N 3 1 411.590 3.699 20 0 HHADMP O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000473530029 994387698 /nfs/dbraw/zinc/38/76/98/994387698.db2.gz QLQWPBIOJVXTFX-LSJNQWAISA-N 2 1 401.517 3.563 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1F ZINC000481566251 994401388 /nfs/dbraw/zinc/40/13/88/994401388.db2.gz RXSVIDXXOZARIG-AWEZNQCLSA-N 2 1 402.495 3.542 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1F ZINC000481566252 994401462 /nfs/dbraw/zinc/40/14/62/994401462.db2.gz RXSVIDXXOZARIG-CQSZACIVSA-N 2 1 402.495 3.542 20 0 HHADMP CC[NH+](CC)CCOc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000473562307 994427576 /nfs/dbraw/zinc/42/75/76/994427576.db2.gz PTQIDLTWWLRBQQ-PSWAGMNNSA-N 2 1 421.585 3.611 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cc2cccc(F)c2o1 ZINC000473870864 994811476 /nfs/dbraw/zinc/81/14/76/994811476.db2.gz FIKXQVCUDQAOTP-FUHWJXTLSA-N 2 1 404.530 3.690 20 0 HHADMP CC(C)(C)[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000482267067 995244971 /nfs/dbraw/zinc/24/49/71/995244971.db2.gz HXFXKVIDOJILKK-FYYLOGMGSA-N 2 1 412.622 3.945 20 0 HHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000482343654 995322816 /nfs/dbraw/zinc/32/28/16/995322816.db2.gz LSYWWTVFMGDGIH-GOSISDBHSA-N 2 1 401.576 3.529 20 0 HHADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000482356370 995336401 /nfs/dbraw/zinc/33/64/01/995336401.db2.gz KKGGZPNJYOHKFF-LJQANCHMSA-N 2 1 410.400 3.526 20 0 HHADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474457345 995419378 /nfs/dbraw/zinc/41/93/78/995419378.db2.gz GLVVXKUVRVRNBJ-UHFFFAOYSA-N 2 1 422.333 3.975 20 0 HHADMP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000482436148 995428604 /nfs/dbraw/zinc/42/86/04/995428604.db2.gz IPKNQDIDROLMGE-TZIWHRDSSA-N 2 1 415.603 3.663 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3cnc(-c4cnn(C)c4)nc3)cc2)C1 ZINC000474487928 995445630 /nfs/dbraw/zinc/44/56/30/995445630.db2.gz WLKVZSUROHNUNP-KDURUIRLSA-N 2 1 404.562 3.645 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000474517047 995480904 /nfs/dbraw/zinc/48/09/04/995480904.db2.gz PDNQIYSIVPTABG-SGKWCMOWSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000482541929 995550076 /nfs/dbraw/zinc/55/00/76/995550076.db2.gz HPPUVCWPMSTURQ-RXVVDRJESA-N 2 1 413.537 3.643 20 0 HHADMP O=C([C@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000474608779 995563904 /nfs/dbraw/zinc/56/39/04/995563904.db2.gz YJOHCFHFIHTJKV-FYYLOGMGSA-N 2 1 401.570 3.905 20 0 HHADMP O=C([C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000474608779 995563911 /nfs/dbraw/zinc/56/39/11/995563911.db2.gz YJOHCFHFIHTJKV-FYYLOGMGSA-N 2 1 401.570 3.905 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000482562115 995568873 /nfs/dbraw/zinc/56/88/73/995568873.db2.gz PLYBLFRSQAIPML-HOJAQTOUSA-N 2 1 411.512 3.909 20 0 HHADMP COc1ccc(C[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2ccc(OC)cc2)cc1 ZINC000482570374 995575196 /nfs/dbraw/zinc/57/51/96/995575196.db2.gz VZMZNNNSSNULMN-RUZDIDTESA-N 2 1 411.590 3.605 20 0 HHADMP Cc1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000474634336 995580645 /nfs/dbraw/zinc/58/06/45/995580645.db2.gz OWKSKIVAPHGNIW-OAQYLSRUSA-N 2 1 410.562 3.674 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc(F)c(F)c(F)c1 ZINC000482620254 995615999 /nfs/dbraw/zinc/61/59/99/995615999.db2.gz OMXMCTUPMADBQY-PBHICJAKSA-N 2 1 405.464 3.652 20 0 HHADMP C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000482623797 995618907 /nfs/dbraw/zinc/61/89/07/995618907.db2.gz QSDANTHCVXNSSY-NNWRFLSQSA-N 2 1 400.611 3.659 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)CC[NH+]2CCc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000474743983 995677144 /nfs/dbraw/zinc/67/71/44/995677144.db2.gz UIXLCSUFTLPNRX-PXDATVDWSA-N 2 1 405.586 3.946 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)CC[N@@H+]2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000474743983 995677149 /nfs/dbraw/zinc/67/71/49/995677149.db2.gz UIXLCSUFTLPNRX-PXDATVDWSA-N 2 1 405.586 3.946 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)CC[N@H+]2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000474743983 995677155 /nfs/dbraw/zinc/67/71/55/995677155.db2.gz UIXLCSUFTLPNRX-PXDATVDWSA-N 2 1 405.586 3.946 20 0 HHADMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000482724642 995708886 /nfs/dbraw/zinc/70/88/86/995708886.db2.gz SQHYDGUOCDLCFB-QFIPXVFZSA-N 2 1 423.523 3.964 20 0 HHADMP Cc1ccc(C[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C2CC2)cc1 ZINC000482821843 995772788 /nfs/dbraw/zinc/77/27/88/995772788.db2.gz LMVKCMJSUOZFLP-JWQCQUIFSA-N 2 1 405.586 3.803 20 0 HHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000482885145 995816909 /nfs/dbraw/zinc/81/69/09/995816909.db2.gz DEOKMTARZZLSIR-IBGZPJMESA-N 2 1 412.603 3.720 20 0 HHADMP COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000482895369 995824654 /nfs/dbraw/zinc/82/46/54/995824654.db2.gz DMWUREHHPAEFIX-HXUWFJFHSA-N 2 1 410.002 3.968 20 0 HHADMP CC[NH+](CC)CCOC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000474980935 995843200 /nfs/dbraw/zinc/84/32/00/995843200.db2.gz MJCXDSDDKQQHJY-QHCPKHFHSA-N 2 1 419.585 3.530 20 0 HHADMP CC[NH+](CC)CCOC1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000474980935 995843204 /nfs/dbraw/zinc/84/32/04/995843204.db2.gz MJCXDSDDKQQHJY-QHCPKHFHSA-N 2 1 419.585 3.530 20 0 HHADMP O=C(NC1CC[NH+](CC2CC2)CC1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475118979 995933817 /nfs/dbraw/zinc/93/38/17/995933817.db2.gz NBVLFPWSMIFJSW-VWLOTQADSA-N 2 1 410.606 3.559 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCC(Oc2ccccc2Cl)CC1)c1ccccc1 ZINC000475147572 995953504 /nfs/dbraw/zinc/95/35/04/995953504.db2.gz UQLYALPIPVHOAL-NRFANRHFSA-N 2 1 415.965 3.602 20 0 HHADMP CCN(C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475175423 995972480 /nfs/dbraw/zinc/97/24/80/995972480.db2.gz XYBBPTXNTBINFA-NHCUHLMSSA-N 2 1 400.592 3.657 20 0 HHADMP CCN(C(=O)NCCCCC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475182372 995978833 /nfs/dbraw/zinc/97/88/33/995978833.db2.gz KDIDBLBZUJRSJU-HSZRJFAPSA-N 2 1 400.611 3.949 20 0 HHADMP CCN(C(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475184748 995981295 /nfs/dbraw/zinc/98/12/95/995981295.db2.gz UVURZQWQBZVKJD-BKULYWANSA-N 2 1 412.622 3.945 20 0 HHADMP CCN(C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475184748 995981302 /nfs/dbraw/zinc/98/13/02/995981302.db2.gz UVURZQWQBZVKJD-BKULYWANSA-N 2 1 412.622 3.945 20 0 HHADMP CCN(C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475184748 995981309 /nfs/dbraw/zinc/98/13/09/995981309.db2.gz UVURZQWQBZVKJD-BKULYWANSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483117292 995986378 /nfs/dbraw/zinc/98/63/78/995986378.db2.gz GQZWNPHHHWQLFL-DENIHFKCSA-N 2 1 409.549 3.784 20 0 HHADMP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000483133344 995994149 /nfs/dbraw/zinc/99/41/49/995994149.db2.gz HSJNFYRIZKMHSC-QZTJIDSGSA-N 2 1 401.576 3.934 20 0 HHADMP Brc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCCO2 ZINC000483200157 996033639 /nfs/dbraw/zinc/03/36/39/996033639.db2.gz NNBBVTNUOKCBGI-BEFAXECRSA-N 2 1 409.368 3.753 20 0 HHADMP Brc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000483236031 996052498 /nfs/dbraw/zinc/05/24/98/996052498.db2.gz OGDCAHKZHAYEKE-HNAYVOBHSA-N 2 1 409.368 3.753 20 0 HHADMP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000483236027 996052623 /nfs/dbraw/zinc/05/26/23/996052623.db2.gz OGDCAHKZHAYEKE-BEFAXECRSA-N 2 1 409.368 3.753 20 0 HHADMP O=C(NC1CC([NH+]2CCCCC2)C1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000475308630 996059740 /nfs/dbraw/zinc/05/97/40/996059740.db2.gz BLXRXHQXGLBAGQ-FPPAHVCDSA-N 2 1 410.606 3.699 20 0 HHADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000483332440 996103578 /nfs/dbraw/zinc/10/35/78/996103578.db2.gz VEQAMDGYIDKVKR-UHFFFAOYSA-N 2 1 402.608 3.718 20 0 HHADMP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483568974 996256837 /nfs/dbraw/zinc/25/68/37/996256837.db2.gz SCXKQQWIOPKJTN-ISKFKSNPSA-N 2 1 421.585 3.754 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(Br)cc2N2CCOCC2)C[C@H]1C ZINC000475725905 996325923 /nfs/dbraw/zinc/32/59/23/996325923.db2.gz PXPAJMGPTACJNW-APWZRJJASA-N 2 1 410.400 3.590 20 0 HHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Br)cc2N2CCOCC2)C[C@H]1C ZINC000475725905 996325947 /nfs/dbraw/zinc/32/59/47/996325947.db2.gz PXPAJMGPTACJNW-APWZRJJASA-N 2 1 410.400 3.590 20 0 HHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Br)cc2N2CCOCC2)C[C@H]1C ZINC000475725905 996325953 /nfs/dbraw/zinc/32/59/53/996325953.db2.gz PXPAJMGPTACJNW-APWZRJJASA-N 2 1 410.400 3.590 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000483689051 996330413 /nfs/dbraw/zinc/33/04/13/996330413.db2.gz ZCDRZOKTTULBRP-UHFFFAOYSA-N 2 1 412.553 3.530 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)C[C@@H]1C ZINC000483802376 996397414 /nfs/dbraw/zinc/39/74/14/996397414.db2.gz CSTQXVUMVPQRDE-VDGAXYAQSA-N 2 1 424.992 3.958 20 0 HHADMP C[C@H](NC(=O)NCCC[N@@H+](C)C1CCCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000483876476 996442520 /nfs/dbraw/zinc/44/25/20/996442520.db2.gz NCAXXXXIOCUBMW-UNMCSNQZSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@H](NC(=O)NCCC[NH+](C)C1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000483876476 996442521 /nfs/dbraw/zinc/44/25/21/996442521.db2.gz NCAXXXXIOCUBMW-UNMCSNQZSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@H](NC(=O)NCCC[NH+](C)C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000483876476 996442526 /nfs/dbraw/zinc/44/25/26/996442526.db2.gz NCAXXXXIOCUBMW-UNMCSNQZSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000483970960 996498991 /nfs/dbraw/zinc/49/89/91/996498991.db2.gz GNCIEXDDVDCDHG-XUZZJYLKSA-N 2 1 420.601 3.861 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000483991961 996510048 /nfs/dbraw/zinc/51/00/48/996510048.db2.gz GRUXDRIWISEKAE-JOCHJYFZSA-N 2 1 412.622 3.947 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475995988 996525312 /nfs/dbraw/zinc/52/53/12/996525312.db2.gz HPMHGWKIQMPSSG-QFIPXVFZSA-N 2 1 412.622 3.947 20 0 HHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000484022677 996526820 /nfs/dbraw/zinc/52/68/20/996526820.db2.gz FJZSHBQZCBISCZ-UHFFFAOYSA-N 2 1 400.542 3.551 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC000476041663 996561085 /nfs/dbraw/zinc/56/10/85/996561085.db2.gz HYKMDXRGTRRNEX-ILBGXUMGSA-N 2 1 412.622 3.805 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000476041663 996561090 /nfs/dbraw/zinc/56/10/90/996561090.db2.gz HYKMDXRGTRRNEX-ILBGXUMGSA-N 2 1 412.622 3.805 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000476041663 996561099 /nfs/dbraw/zinc/56/10/99/996561099.db2.gz HYKMDXRGTRRNEX-ILBGXUMGSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000484493282 996817329 /nfs/dbraw/zinc/81/73/29/996817329.db2.gz BWOSRWMOIDNUNL-QPXQOZNCSA-N 2 1 415.603 3.865 20 0 HHADMP CC(C)[NH+](CCn1c(=O)c2ccccc2nc1SC[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC000484497297 996822915 /nfs/dbraw/zinc/82/29/15/996822915.db2.gz JNFNAUFJLMCRNF-GOSISDBHSA-N 2 1 402.608 3.559 20 0 HHADMP C[C@H](CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000476681968 997220769 /nfs/dbraw/zinc/22/07/69/997220769.db2.gz RMPKETKHVIOQIG-UTKZUKDTSA-N 2 1 402.970 3.762 20 0 HHADMP C[C@H](CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000476681968 997220785 /nfs/dbraw/zinc/22/07/85/997220785.db2.gz RMPKETKHVIOQIG-UTKZUKDTSA-N 2 1 402.970 3.762 20 0 HHADMP CCN(C(=O)Cn1c(C)nc2cc(F)c(F)cc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000476687360 997226732 /nfs/dbraw/zinc/22/67/32/997226732.db2.gz GRAJPSAKUBHYCL-SFHVURJKSA-N 2 1 412.484 3.746 20 0 HHADMP C[C@H](CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000476710742 997252211 /nfs/dbraw/zinc/25/22/11/997252211.db2.gz VVYMZARWMLOGEL-UYAOXDASSA-N 2 1 400.592 3.705 20 0 HHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000484926230 997301174 /nfs/dbraw/zinc/30/11/74/997301174.db2.gz PYTAHVZWAPWRFU-MQNAVGNWSA-N 2 1 418.528 3.846 20 0 HHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC[N@H+]1C ZINC000484926230 997301181 /nfs/dbraw/zinc/30/11/81/997301181.db2.gz PYTAHVZWAPWRFU-MQNAVGNWSA-N 2 1 418.528 3.846 20 0 HHADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC[NH+]1C ZINC000484926230 997301189 /nfs/dbraw/zinc/30/11/89/997301189.db2.gz PYTAHVZWAPWRFU-MQNAVGNWSA-N 2 1 418.528 3.846 20 0 HHADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC[NH+]1C ZINC000484926230 997301196 /nfs/dbraw/zinc/30/11/96/997301196.db2.gz PYTAHVZWAPWRFU-MQNAVGNWSA-N 2 1 418.528 3.846 20 0 HHADMP Oc1ccc(C2=CC[NH+](CCOCC[N@@H+]3CC=C(c4ccc(O)cc4)CC3)CC2)cc1 ZINC000485151661 997534775 /nfs/dbraw/zinc/53/47/75/997534775.db2.gz VTDNEBORDCVCTH-UHFFFAOYSA-N 2 1 420.553 3.993 20 0 HHADMP COc1ccccc1[C@H](C)NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476972115 997590591 /nfs/dbraw/zinc/59/05/91/997590591.db2.gz KLYDQHIQKWLLCJ-PMACEKPBSA-N 2 1 401.595 3.849 20 0 HHADMP COc1ccccc1[C@H](C)NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476972115 997590607 /nfs/dbraw/zinc/59/06/07/997590607.db2.gz KLYDQHIQKWLLCJ-PMACEKPBSA-N 2 1 401.595 3.849 20 0 HHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000476979403 997598997 /nfs/dbraw/zinc/59/89/97/997598997.db2.gz FAQVCNWPVMWBDQ-LJQANCHMSA-N 2 1 415.578 3.763 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000476979403 997599005 /nfs/dbraw/zinc/59/90/05/997599005.db2.gz FAQVCNWPVMWBDQ-LJQANCHMSA-N 2 1 415.578 3.763 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)NCCc2c(F)cccc2F)CC1 ZINC000476980813 997601400 /nfs/dbraw/zinc/60/14/00/997601400.db2.gz HFINUZFKEGTTJE-SFHVURJKSA-N 2 1 407.549 3.600 20 0 HHADMP COc1ccccc1COC[C@@H](O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476981926 997602787 /nfs/dbraw/zinc/60/27/87/997602787.db2.gz IUEDKVGNCVNKRF-REWPJTCUSA-N 2 1 404.595 3.549 20 0 HHADMP COc1ccccc1COC[C@H](O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476981923 997602907 /nfs/dbraw/zinc/60/29/07/997602907.db2.gz IUEDKVGNCVNKRF-NZQKXSOJSA-N 2 1 404.595 3.549 20 0 HHADMP CC(=O)Nc1cccc(NC(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000476984041 997608311 /nfs/dbraw/zinc/60/83/11/997608311.db2.gz MECHMULPRNXQLU-GOSISDBHSA-N 2 1 400.567 3.560 20 0 HHADMP CC(=O)Nc1cccc(NC(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC000476984041 997608318 /nfs/dbraw/zinc/60/83/18/997608318.db2.gz MECHMULPRNXQLU-GOSISDBHSA-N 2 1 400.567 3.560 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000476985608 997610479 /nfs/dbraw/zinc/61/04/79/997610479.db2.gz ODGJIGKQGPHNRD-LJQANCHMSA-N 2 1 400.567 3.701 20 0 HHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccco1 ZINC000485234439 997612686 /nfs/dbraw/zinc/61/26/86/997612686.db2.gz VAKLIIBUZNLDSN-KXBFYZLASA-N 2 1 413.497 3.841 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1F ZINC000485304310 997710923 /nfs/dbraw/zinc/71/09/23/997710923.db2.gz QVSVLNBBSBZJPC-JTSKRJEESA-N 2 1 421.520 3.782 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1F ZINC000485304310 997710931 /nfs/dbraw/zinc/71/09/31/997710931.db2.gz QVSVLNBBSBZJPC-JTSKRJEESA-N 2 1 421.520 3.782 20 0 HHADMP O=C([C@H]1CC[N@@H+]1Cc1ccccc1)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000477096256 997750973 /nfs/dbraw/zinc/75/09/73/997750973.db2.gz GVMQSCZXNLANMC-XMMPIXPASA-N 2 1 403.570 3.776 20 0 HHADMP O=C([C@H]1CC[N@H+]1Cc1ccccc1)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000477096256 997750985 /nfs/dbraw/zinc/75/09/85/997750985.db2.gz GVMQSCZXNLANMC-XMMPIXPASA-N 2 1 403.570 3.776 20 0 HHADMP O=C([C@H]1CC[NH+]1Cc1ccccc1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000477096256 997750998 /nfs/dbraw/zinc/75/09/98/997750998.db2.gz GVMQSCZXNLANMC-XMMPIXPASA-N 2 1 403.570 3.776 20 0 HHADMP O=C([C@H]1CC[NH+]1Cc1ccccc1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000477096256 997751006 /nfs/dbraw/zinc/75/10/06/997751006.db2.gz GVMQSCZXNLANMC-XMMPIXPASA-N 2 1 403.570 3.776 20 0 HHADMP Cc1nccn1C[C@H](C)CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000485501790 997957189 /nfs/dbraw/zinc/95/71/89/997957189.db2.gz XKRYYCSDXMLTJL-UEVCKROQSA-N 2 1 409.578 3.524 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485501790 997957202 /nfs/dbraw/zinc/95/72/02/997957202.db2.gz XKRYYCSDXMLTJL-UEVCKROQSA-N 2 1 409.578 3.524 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000485501790 997957210 /nfs/dbraw/zinc/95/72/10/997957210.db2.gz XKRYYCSDXMLTJL-UEVCKROQSA-N 2 1 409.578 3.524 20 0 HHADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000477361734 998050160 /nfs/dbraw/zinc/05/01/60/998050160.db2.gz IATKMTRFUQTQOO-HNNXBMFYSA-N 2 1 410.400 3.696 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000485616734 998064349 /nfs/dbraw/zinc/06/43/49/998064349.db2.gz SCOYMBMQABTCGM-WXFUMESZSA-N 2 1 412.622 3.803 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000485616734 998064359 /nfs/dbraw/zinc/06/43/59/998064359.db2.gz SCOYMBMQABTCGM-WXFUMESZSA-N 2 1 412.622 3.803 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000485616734 998064370 /nfs/dbraw/zinc/06/43/70/998064370.db2.gz SCOYMBMQABTCGM-WXFUMESZSA-N 2 1 412.622 3.803 20 0 HHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](C)c3ccc4ncsc4c3)CC2)cc1 ZINC000485839970 998305410 /nfs/dbraw/zinc/30/54/10/998305410.db2.gz JNQCIFJSHRBRHO-LJQANCHMSA-N 2 1 422.598 3.990 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000478415115 998945940 /nfs/dbraw/zinc/94/59/40/998945940.db2.gz JIOHSCMSPWVPBP-XVAYZXCPSA-N 2 1 400.611 3.564 20 0 HHADMP C[N@H+]1CC[C@@H](CNC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000478416018 998946437 /nfs/dbraw/zinc/94/64/37/998946437.db2.gz INJLRWLZPBJFPK-FXAWDEMLSA-N 2 1 424.992 3.893 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2scnc2C2CC2)c1)C1CCOCC1 ZINC000486988849 999028567 /nfs/dbraw/zinc/02/85/67/999028567.db2.gz KJBJFLCWBJFXLT-UHFFFAOYSA-N 2 1 401.576 3.800 20 0 HHADMP Cc1cnccc1OC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000487224341 999102904 /nfs/dbraw/zinc/10/29/04/999102904.db2.gz NVWJUKQOSMIADY-QFIPXVFZSA-N 2 1 411.521 3.954 20 0 HHADMP Cc1cnccc1OC1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000487224341 999102909 /nfs/dbraw/zinc/10/29/09/999102909.db2.gz NVWJUKQOSMIADY-QFIPXVFZSA-N 2 1 411.521 3.954 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000479073160 999280732 /nfs/dbraw/zinc/28/07/32/999280732.db2.gz DCIOBAJCDDCGSM-CNNODRBYSA-N 2 1 415.603 3.512 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000479073160 999280735 /nfs/dbraw/zinc/28/07/35/999280735.db2.gz DCIOBAJCDDCGSM-CNNODRBYSA-N 2 1 415.603 3.512 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000487917912 999315224 /nfs/dbraw/zinc/31/52/24/999315224.db2.gz NAEUTBWRTSJNMI-TYCQWZJGSA-N 2 1 408.537 3.520 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000487917912 999315229 /nfs/dbraw/zinc/31/52/29/999315229.db2.gz NAEUTBWRTSJNMI-TYCQWZJGSA-N 2 1 408.537 3.520 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000487950304 999325902 /nfs/dbraw/zinc/32/59/02/999325902.db2.gz GWDPMGFPVFYVQW-PGUVCAJQSA-N 2 1 422.564 3.908 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000487950304 999325909 /nfs/dbraw/zinc/32/59/09/999325909.db2.gz GWDPMGFPVFYVQW-PGUVCAJQSA-N 2 1 422.564 3.908 20 0 HHADMP C[C@@H](NC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488009647 999346701 /nfs/dbraw/zinc/34/67/01/999346701.db2.gz URLSBTFVSTVFCE-NQIIRXRSSA-N 2 1 412.553 3.597 20 0 HHADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000479284483 999364882 /nfs/dbraw/zinc/36/48/82/999364882.db2.gz OKGGCYBCTUBRHU-LAUBAEHRSA-N 2 1 403.364 3.607 20 0 HHADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000479284483 999364883 /nfs/dbraw/zinc/36/48/83/999364883.db2.gz OKGGCYBCTUBRHU-LAUBAEHRSA-N 2 1 403.364 3.607 20 0 HHADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000479302995 999375007 /nfs/dbraw/zinc/37/50/07/999375007.db2.gz WBNXXNMQWATCPX-KKSFZXQISA-N 2 1 403.364 3.737 20 0 HHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479331524 999389178 /nfs/dbraw/zinc/38/91/78/999389178.db2.gz RBPBMNUOOWPIQX-KBPBESRZSA-N 2 1 422.422 3.946 20 0 HHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCc4cc(OC)c(OC)cc43)cc2)CC1 ZINC000479340013 999393308 /nfs/dbraw/zinc/39/33/08/999393308.db2.gz YWKFWJFTGAOUQC-QHCPKHFHSA-N 2 1 409.574 3.618 20 0 HHADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000479356962 999401147 /nfs/dbraw/zinc/40/11/47/999401147.db2.gz YFRAGQBVWRWOFJ-JSFDBMSQSA-N 2 1 412.622 3.931 20 0 HHADMP COc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000479444521 999420469 /nfs/dbraw/zinc/42/04/69/999420469.db2.gz IWGQFRLOIUTYRB-XUZZJYLKSA-N 2 1 405.546 3.530 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479452872 999424171 /nfs/dbraw/zinc/42/41/71/999424171.db2.gz IKOHPKNNYIWQFB-IRFCIJBXSA-N 2 1 415.603 3.512 20 0 HHADMP Cc1cc2[nH]c(C[NH2+]Cc3cccc(NC(=O)CC[NH+]4CCOCC4)c3)cc2c(C)c1 ZINC000479544333 999470061 /nfs/dbraw/zinc/47/00/61/999470061.db2.gz RPSXFNBSMSJZSS-UHFFFAOYSA-N 2 1 420.557 3.735 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000488474399 999499259 /nfs/dbraw/zinc/49/92/59/999499259.db2.gz YJDJGKADWBNAQB-NQHRYMMQSA-N 2 1 405.586 3.925 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000488474399 999499261 /nfs/dbraw/zinc/49/92/61/999499261.db2.gz YJDJGKADWBNAQB-NQHRYMMQSA-N 2 1 405.586 3.925 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000488474399 999499263 /nfs/dbraw/zinc/49/92/63/999499263.db2.gz YJDJGKADWBNAQB-NQHRYMMQSA-N 2 1 405.586 3.925 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000488529162 999519059 /nfs/dbraw/zinc/51/90/59/999519059.db2.gz HDDONTKHQQSQIA-YMPZKCBVSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000488529162 999519063 /nfs/dbraw/zinc/51/90/63/999519063.db2.gz HDDONTKHQQSQIA-YMPZKCBVSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000488529162 999519067 /nfs/dbraw/zinc/51/90/67/999519067.db2.gz HDDONTKHQQSQIA-YMPZKCBVSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000488546462 999523509 /nfs/dbraw/zinc/52/35/09/999523509.db2.gz KWHSTCZKSRKKJX-NYVOZVTQSA-N 2 1 420.548 3.758 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000488546462 999523513 /nfs/dbraw/zinc/52/35/13/999523513.db2.gz KWHSTCZKSRKKJX-NYVOZVTQSA-N 2 1 420.548 3.758 20 0 HHADMP C[C@@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488551362 999525065 /nfs/dbraw/zinc/52/50/65/999525065.db2.gz UIBJQZKSMLKXNA-BWKNWUBXSA-N 2 1 420.601 3.992 20 0 HHADMP CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)cc1)C(C)C ZINC000479809391 999605274 /nfs/dbraw/zinc/60/52/74/999605274.db2.gz VSCJFOFEOFTOGV-FQEVSTJZSA-N 2 1 401.595 3.680 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)cc1)C(C)C ZINC000479809391 999605277 /nfs/dbraw/zinc/60/52/77/999605277.db2.gz VSCJFOFEOFTOGV-FQEVSTJZSA-N 2 1 401.595 3.680 20 0 HHADMP CC[N@H+](Cc1ccc(C(=O)N[C@H](C)C2([NH+]3CCOCC3)CCCC2)cc1)C(C)C ZINC000479809392 999605327 /nfs/dbraw/zinc/60/53/27/999605327.db2.gz VSCJFOFEOFTOGV-HXUWFJFHSA-N 2 1 401.595 3.680 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)C2([NH+]3CCOCC3)CCCC2)cc1)C(C)C ZINC000479809392 999605330 /nfs/dbraw/zinc/60/53/30/999605330.db2.gz VSCJFOFEOFTOGV-HXUWFJFHSA-N 2 1 401.595 3.680 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000479885279 999636178 /nfs/dbraw/zinc/63/61/78/999636178.db2.gz DYEGDNUOONRKNU-GOSISDBHSA-N 2 1 408.546 3.654 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1)C1CC1 ZINC000479969032 999668091 /nfs/dbraw/zinc/66/80/91/999668091.db2.gz UPIPCWLOTUKDEK-UHFFFAOYSA-N 2 1 421.585 3.558 20 0 HHADMP C[NH+](C)C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000489178965 999717201 /nfs/dbraw/zinc/71/72/01/999717201.db2.gz XXZABCMPISSDEJ-UWJYYQICSA-N 2 1 418.582 3.701 20 0 HHADMP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(CN2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000489254695 999730982 /nfs/dbraw/zinc/73/09/82/999730982.db2.gz KRSWCEPNKVGPNU-DNQXCXABSA-N 3 1 410.650 3.522 20 0 HHADMP c1ccc(CN2CC[C@H](C[NH+]3CCCC3)C2)c(CN2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000489254695 999730983 /nfs/dbraw/zinc/73/09/83/999730983.db2.gz KRSWCEPNKVGPNU-DNQXCXABSA-N 2 1 410.650 3.522 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000489290224 999738353 /nfs/dbraw/zinc/73/83/53/999738353.db2.gz AZPCMBUNJHDSAJ-YSZBQJHXSA-N 2 1 412.553 3.638 20 0 HHADMP C[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)CC[N@H+](C2CCC2)C1 ZINC000489403568 999760021 /nfs/dbraw/zinc/76/00/21/999760021.db2.gz ODRMWYCEYCAZCT-WFXMLNOXSA-N 2 1 404.624 3.647 20 0 HHADMP C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC[NH+](C2CCC2)C1 ZINC000489403568 999760022 /nfs/dbraw/zinc/76/00/22/999760022.db2.gz ODRMWYCEYCAZCT-WFXMLNOXSA-N 2 1 404.624 3.647 20 0 HHADMP C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC[NH+](C2CCC2)C1 ZINC000489403568 999760025 /nfs/dbraw/zinc/76/00/25/999760025.db2.gz ODRMWYCEYCAZCT-WFXMLNOXSA-N 2 1 404.624 3.647 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000489498781 999778965 /nfs/dbraw/zinc/77/89/65/999778965.db2.gz REMJPEQQLQHVHZ-SQJMNOBHSA-N 2 1 420.601 3.645 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000489498781 999778966 /nfs/dbraw/zinc/77/89/66/999778966.db2.gz REMJPEQQLQHVHZ-SQJMNOBHSA-N 2 1 420.601 3.645 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000489498781 999778967 /nfs/dbraw/zinc/77/89/67/999778967.db2.gz REMJPEQQLQHVHZ-SQJMNOBHSA-N 2 1 420.601 3.645 20 0 HHADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cccc(OC)c1 ZINC000480397737 999789439 /nfs/dbraw/zinc/78/94/39/999789439.db2.gz RMNAGJHSXALLRE-DCEDVJGZSA-N 2 1 410.606 3.973 20 0 HHADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cccc(OC)c1 ZINC000480397737 999789441 /nfs/dbraw/zinc/78/94/41/999789441.db2.gz RMNAGJHSXALLRE-DCEDVJGZSA-N 2 1 410.606 3.973 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000489658964 999811931 /nfs/dbraw/zinc/81/19/31/999811931.db2.gz MOVKAGPVBFGRST-UHFFFAOYSA-N 2 1 419.569 3.907 20 0 HHADMP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)NCC[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000489742536 999829150 /nfs/dbraw/zinc/82/91/50/999829150.db2.gz JGPRSOLCMDPXPT-QRADPCAZSA-N 2 1 412.622 3.659 20 0 HHADMP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000489742536 999829151 /nfs/dbraw/zinc/82/91/51/999829151.db2.gz JGPRSOLCMDPXPT-QRADPCAZSA-N 2 1 412.622 3.659 20 0 HHADMP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000489742536 999829152 /nfs/dbraw/zinc/82/91/52/999829152.db2.gz JGPRSOLCMDPXPT-QRADPCAZSA-N 2 1 412.622 3.659 20 0 HHADMP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)cn2)C[C@@H](C)O1 ZINC000480610461 999840408 /nfs/dbraw/zinc/84/04/08/999840408.db2.gz JBXGLJXHPLELGM-GECPAALWSA-N 2 1 408.590 3.695 20 0 HHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000489832899 999846034 /nfs/dbraw/zinc/84/60/34/999846034.db2.gz CDCSIFVKKZYODP-RDGATRHJSA-N 2 1 422.617 3.979 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000489838677 999847064 /nfs/dbraw/zinc/84/70/64/999847064.db2.gz UGRSJKXVOFJQOO-ZJSXRUAMSA-N 2 1 408.590 3.718 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000489838677 999847065 /nfs/dbraw/zinc/84/70/65/999847065.db2.gz UGRSJKXVOFJQOO-ZJSXRUAMSA-N 2 1 408.590 3.718 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000489838677 999847068 /nfs/dbraw/zinc/84/70/68/999847068.db2.gz UGRSJKXVOFJQOO-ZJSXRUAMSA-N 2 1 408.590 3.718 20 0 HHADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000489839149 999847285 /nfs/dbraw/zinc/84/72/85/999847285.db2.gz MSDCVJXSDTWYCN-VWLOTQADSA-N 2 1 420.601 3.646 20 0 HHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000480701648 999863274 /nfs/dbraw/zinc/86/32/74/999863274.db2.gz GJTIFSORNQTUCI-NRFANRHFSA-N 2 1 403.574 3.861 20 0 HHADMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1ccccc1 ZINC000490056897 999886496 /nfs/dbraw/zinc/88/64/96/999886496.db2.gz IGKONGGIVSTFRS-FYYLOGMGSA-N 2 1 407.558 3.784 20 0 HHADMP Cn1cc([C@H]([NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c2cccc(F)c2)cn1 ZINC000490119163 999895695 /nfs/dbraw/zinc/89/56/95/999895695.db2.gz NGAZQMQTIVAXSO-LOSJGSFVSA-N 2 1 421.564 3.617 20 0 HHADMP CCC[N@H+](C)[C@@H](CNC(=O)NC[C@H](C)Cn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000490190647 999907849 /nfs/dbraw/zinc/90/78/49/999907849.db2.gz KURRNTZLNZOYOS-JXFKEZNVSA-N 2 1 405.974 3.863 20 0 HHADMP CCC[N@@H+](C)[C@@H](CNC(=O)NC[C@H](C)Cn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000490190647 999907852 /nfs/dbraw/zinc/90/78/52/999907852.db2.gz KURRNTZLNZOYOS-JXFKEZNVSA-N 2 1 405.974 3.863 20 0 HHADMP Brc1cnn(CCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000490238799 999918314 /nfs/dbraw/zinc/91/83/14/999918314.db2.gz FPFHKNUCANTODK-ACDBMABISA-N 2 1 403.368 3.821 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(-c2ccco2)cc1F ZINC000490479134 999964098 /nfs/dbraw/zinc/96/40/98/999964098.db2.gz JRVVSMKFOOGKRS-GOSISDBHSA-N 2 1 402.514 3.966 20 0 HHADMP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000490752431 1000000895 /nfs/dbraw/zinc/00/08/95/1000000895.db2.gz BUTBLZGOWPKQQT-NRFANRHFSA-N 2 1 400.567 3.703 20 0 HHADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490769784 1000003628 /nfs/dbraw/zinc/00/36/28/1000003628.db2.gz NPJACZVZXFHJED-GPUOULLFSA-N 2 1 405.586 3.925 20 0 HHADMP C[C@H](NC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490769784 1000003630 /nfs/dbraw/zinc/00/36/30/1000003630.db2.gz NPJACZVZXFHJED-GPUOULLFSA-N 2 1 405.586 3.925 20 0 HHADMP C[C@H](NC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490769784 1000003631 /nfs/dbraw/zinc/00/36/31/1000003631.db2.gz NPJACZVZXFHJED-GPUOULLFSA-N 2 1 405.586 3.925 20 0 HHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000491031761 1000036708 /nfs/dbraw/zinc/03/67/08/1000036708.db2.gz NUZKVLOGVHXYIY-MBSDFSHPSA-N 2 1 411.571 3.919 20 0 HHADMP C[C@H]1C[C@@H](CCNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[N@H+]1Cc1ccccc1 ZINC000491310820 1000063883 /nfs/dbraw/zinc/06/38/83/1000063883.db2.gz SBXYXIKSINILQF-PZJWPPBQSA-N 2 1 424.593 3.572 20 0 HHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](c3cnn(C)c3)c3cccc(F)c3)CC2)oc1C ZINC000491998044 1000104232 /nfs/dbraw/zinc/10/42/32/1000104232.db2.gz JWNKHJJCDWMPFA-QHCPKHFHSA-N 2 1 411.525 3.755 20 0 HHADMP CC(=O)N1CC[C@@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c2ccccc2C1 ZINC000492044231 1000106471 /nfs/dbraw/zinc/10/64/71/1000106471.db2.gz OUFHVSAMAIEJNO-HSZRJFAPSA-N 2 1 410.562 3.587 20 0 HHADMP Cc1ccc(NC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000492043719 1000106499 /nfs/dbraw/zinc/10/64/99/1000106499.db2.gz ODQKYHVPXFCZEC-UNMCSNQZSA-N 2 1 424.589 3.968 20 0 HHADMP C[C@@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492462466 1000128082 /nfs/dbraw/zinc/12/80/82/1000128082.db2.gz GJIZCKMRYNHWHU-GJZUVCINSA-N 2 1 419.613 3.968 20 0 HHADMP C[C@@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492462466 1000128084 /nfs/dbraw/zinc/12/80/84/1000128084.db2.gz GJIZCKMRYNHWHU-GJZUVCINSA-N 2 1 419.613 3.968 20 0 HHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[NH+](C)C ZINC000492515518 1000130417 /nfs/dbraw/zinc/13/04/17/1000130417.db2.gz NYFFMPQZMVMJKG-PWWKTKHKSA-N 2 1 422.617 3.850 20 0 HHADMP C[N@@H+]1CCCC[C@H]1CCC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000493769101 1000191752 /nfs/dbraw/zinc/19/17/52/1000191752.db2.gz ZWGPZNMLTIKIAO-QFIPXVFZSA-N 2 1 410.562 3.687 20 0 HHADMP C[N@H+]1CCCC[C@H]1CCC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000493769101 1000191753 /nfs/dbraw/zinc/19/17/53/1000191753.db2.gz ZWGPZNMLTIKIAO-QFIPXVFZSA-N 2 1 410.562 3.687 20 0 HHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)Cc2cccc3[nH]ccc32)CC1 ZINC000493997924 1000259166 /nfs/dbraw/zinc/25/91/66/1000259166.db2.gz BQEQKSVXWXOAJG-UHFFFAOYSA-N 2 1 404.558 3.643 20 0 HHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)Cc2cccc3[nH]ccc32)CC1 ZINC000493997924 1000259169 /nfs/dbraw/zinc/25/91/69/1000259169.db2.gz BQEQKSVXWXOAJG-UHFFFAOYSA-N 2 1 404.558 3.643 20 0 HHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)Cc2cccc3[nH]ccc32)CC1 ZINC000493997924 1000259172 /nfs/dbraw/zinc/25/91/72/1000259172.db2.gz BQEQKSVXWXOAJG-UHFFFAOYSA-N 2 1 404.558 3.643 20 0 HHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)Cc2cccc3[nH]ccc32)CC1 ZINC000493997924 1000259175 /nfs/dbraw/zinc/25/91/75/1000259175.db2.gz BQEQKSVXWXOAJG-UHFFFAOYSA-N 2 1 404.558 3.643 20 0 HHADMP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000504589068 1000282652 /nfs/dbraw/zinc/28/26/52/1000282652.db2.gz HGJYEBLDIFXYMJ-NRFANRHFSA-N 2 1 422.617 3.868 20 0 HHADMP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000504589068 1000282656 /nfs/dbraw/zinc/28/26/56/1000282656.db2.gz HGJYEBLDIFXYMJ-NRFANRHFSA-N 2 1 422.617 3.868 20 0 HHADMP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000494189770 1000352021 /nfs/dbraw/zinc/35/20/21/1000352021.db2.gz UTTOQVBJZUAWMX-MSOLQXFVSA-N 2 1 401.776 3.960 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000494442663 1000494265 /nfs/dbraw/zinc/49/42/65/1000494265.db2.gz LJWOLILJRBYRHC-JPYJTQIMSA-N 2 1 416.585 3.552 20 0 HHADMP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000494566756 1000557429 /nfs/dbraw/zinc/55/74/29/1000557429.db2.gz WUDRZKWEMOIAEU-ZJSXRUAMSA-N 2 1 415.622 3.542 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H](Cc2ccccc2Cl)c2cccs2)C1 ZINC000495081767 1000818658 /nfs/dbraw/zinc/81/86/58/1000818658.db2.gz VLKTXZDMNGPQOB-HKUYNNGSSA-N 2 1 405.995 3.862 20 0 HHADMP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000505686794 1000976047 /nfs/dbraw/zinc/97/60/47/1000976047.db2.gz WAYHMCTVNWXDQG-RPWUZVMVSA-N 2 1 406.574 3.841 20 0 HHADMP O=C(N[C@H]1CC[NH+]2CCCC[C@@H]12)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000505691509 1000977356 /nfs/dbraw/zinc/97/73/56/1000977356.db2.gz HGKVPWXWQMWBFN-PMACEKPBSA-N 2 1 424.511 3.550 20 0 HHADMP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000505691509 1000977358 /nfs/dbraw/zinc/97/73/58/1000977358.db2.gz HGKVPWXWQMWBFN-PMACEKPBSA-N 2 1 424.511 3.550 20 0 HHADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000505691509 1000977365 /nfs/dbraw/zinc/97/73/65/1000977365.db2.gz HGKVPWXWQMWBFN-PMACEKPBSA-N 2 1 424.511 3.550 20 0 HHADMP C[NH+](C)[C@H](C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)c1ccccc1 ZINC000505738440 1001000743 /nfs/dbraw/zinc/00/07/43/1001000743.db2.gz RYOCASZKBGIMFF-QHCPKHFHSA-N 2 1 408.546 3.743 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000505738448 1001001074 /nfs/dbraw/zinc/00/10/74/1001001074.db2.gz SCVVIYFYJUCPHI-CQSZACIVSA-N 2 1 410.971 3.545 20 0 HHADMP COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC2 ZINC000505751824 1001006487 /nfs/dbraw/zinc/00/64/87/1001006487.db2.gz XGDNBQHLTBBXIA-UHFFFAOYSA-N 2 1 409.574 3.793 20 0 HHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000495432662 1001010845 /nfs/dbraw/zinc/01/08/45/1001010845.db2.gz KDHPRENMZDANIY-ZWOKBUDYSA-N 2 1 404.551 3.790 20 0 HHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000495432662 1001010854 /nfs/dbraw/zinc/01/08/54/1001010854.db2.gz KDHPRENMZDANIY-ZWOKBUDYSA-N 2 1 404.551 3.790 20 0 HHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000495432659 1001010953 /nfs/dbraw/zinc/01/09/53/1001010953.db2.gz KDHPRENMZDANIY-ABSDTBQOSA-N 2 1 404.551 3.790 20 0 HHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000495432659 1001010958 /nfs/dbraw/zinc/01/09/58/1001010958.db2.gz KDHPRENMZDANIY-ABSDTBQOSA-N 2 1 404.551 3.790 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495434206 1001011545 /nfs/dbraw/zinc/01/15/45/1001011545.db2.gz QRNOZASETIEKPM-UEXGIBASSA-N 2 1 401.576 3.619 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(OC2CCCC2)c(OC)c1 ZINC000505803148 1001034213 /nfs/dbraw/zinc/03/42/13/1001034213.db2.gz UFDNXMFJBPEEQO-FQEVSTJZSA-N 2 1 417.594 3.505 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(COc2ccccc2)cc1 ZINC000505806732 1001036669 /nfs/dbraw/zinc/03/66/69/1001036669.db2.gz KTLHGJSVNITRHI-HSZRJFAPSA-N 2 1 409.574 3.754 20 0 HHADMP C[N@H+](CC(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)Cc1ccccc1 ZINC000505812338 1001039421 /nfs/dbraw/zinc/03/94/21/1001039421.db2.gz NFLNISOLRJCGMZ-UHFFFAOYSA-N 2 1 408.546 3.572 20 0 HHADMP C[N@@H+](CC(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)Cc1ccccc1 ZINC000505812338 1001039428 /nfs/dbraw/zinc/03/94/28/1001039428.db2.gz NFLNISOLRJCGMZ-UHFFFAOYSA-N 2 1 408.546 3.572 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000505822708 1001045333 /nfs/dbraw/zinc/04/53/33/1001045333.db2.gz BVPXTIMFUREAGJ-AWEZNQCLSA-N 2 1 411.377 3.963 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)CC2)cs1 ZINC000505910828 1001095082 /nfs/dbraw/zinc/09/50/82/1001095082.db2.gz DDIGJLCDCBUHQS-QUCCMNQESA-N 2 1 418.651 3.777 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)CC2)cs1 ZINC000505910828 1001095085 /nfs/dbraw/zinc/09/50/85/1001095085.db2.gz DDIGJLCDCBUHQS-QUCCMNQESA-N 2 1 418.651 3.777 20 0 HHADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000497452087 1001373071 /nfs/dbraw/zinc/37/30/71/1001373071.db2.gz SJERDWSTTRTIBI-UNMCSNQZSA-N 2 1 413.606 3.579 20 0 HHADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000497452087 1001373079 /nfs/dbraw/zinc/37/30/79/1001373079.db2.gz SJERDWSTTRTIBI-UNMCSNQZSA-N 2 1 413.606 3.579 20 0 HHADMP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000497566400 1001438110 /nfs/dbraw/zinc/43/81/10/1001438110.db2.gz RSYSWMSPRIAVQR-GBXCKJPGSA-N 2 1 412.622 3.993 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCC1(F)F ZINC000506511229 1001445927 /nfs/dbraw/zinc/44/59/27/1001445927.db2.gz OKPMWSSVXHDMJE-FPOVZHCZSA-N 2 1 407.549 3.915 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000506511229 1001445931 /nfs/dbraw/zinc/44/59/31/1001445931.db2.gz OKPMWSSVXHDMJE-FPOVZHCZSA-N 2 1 407.549 3.915 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000506511229 1001445934 /nfs/dbraw/zinc/44/59/34/1001445934.db2.gz OKPMWSSVXHDMJE-FPOVZHCZSA-N 2 1 407.549 3.915 20 0 HHADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000497602306 1001454513 /nfs/dbraw/zinc/45/45/13/1001454513.db2.gz BRGKUWDMLLKFCP-QHCPKHFHSA-N 2 1 401.570 3.951 20 0 HHADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000497602306 1001454516 /nfs/dbraw/zinc/45/45/16/1001454516.db2.gz BRGKUWDMLLKFCP-QHCPKHFHSA-N 2 1 401.570 3.951 20 0 HHADMP CS[C@@H]1CN(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C[C@H]1[NH+](C)C ZINC000497651739 1001472984 /nfs/dbraw/zinc/47/29/84/1001472984.db2.gz LYHPUQJJXAWZSK-RTBURBONSA-N 2 1 401.580 3.564 20 0 HHADMP C[NH+](C)CCN1CCC(C[NH2+][C@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000497826626 1001526648 /nfs/dbraw/zinc/52/66/48/1001526648.db2.gz VPGFFNMHAUWEJQ-NRFANRHFSA-N 2 1 420.395 3.995 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000506866269 1001572227 /nfs/dbraw/zinc/57/22/27/1001572227.db2.gz WDLHDNRFGLXDNP-QHAWAJNXSA-N 2 1 402.583 3.713 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000498121469 1001650652 /nfs/dbraw/zinc/65/06/52/1001650652.db2.gz QPFGRPDJOSBKRD-RRPUWOKSSA-N 2 1 424.589 3.508 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000498121469 1001650655 /nfs/dbraw/zinc/65/06/55/1001650655.db2.gz QPFGRPDJOSBKRD-RRPUWOKSSA-N 2 1 424.589 3.508 20 0 HHADMP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000498126617 1001652891 /nfs/dbraw/zinc/65/28/91/1001652891.db2.gz KZOFLSFLAPEVFQ-URXFXBBRSA-N 2 1 406.574 3.651 20 0 HHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC000506949420 1001723795 /nfs/dbraw/zinc/72/37/95/1001723795.db2.gz IVHSEFFDPDYSMM-GMAHTHKFSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000506949420 1001723800 /nfs/dbraw/zinc/72/38/00/1001723800.db2.gz IVHSEFFDPDYSMM-GMAHTHKFSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000506949420 1001723806 /nfs/dbraw/zinc/72/38/06/1001723806.db2.gz IVHSEFFDPDYSMM-GMAHTHKFSA-N 2 1 400.611 3.805 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](c3ccccc3C)C2)CC1 ZINC000507210849 1001898784 /nfs/dbraw/zinc/89/87/84/1001898784.db2.gz TYTAXYOGGONWQA-QHCPKHFHSA-N 2 1 405.586 3.874 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccc(Cl)s1 ZINC000498484733 1001910296 /nfs/dbraw/zinc/91/02/96/1001910296.db2.gz PIYVKBMGCYXVEZ-OAHLLOKOSA-N 2 1 407.967 3.913 20 0 HHADMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000507365399 1002026112 /nfs/dbraw/zinc/02/61/12/1002026112.db2.gz ZIVVNUBSPVOAJB-MRXNPFEDSA-N 2 1 419.791 3.647 20 0 HHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000507365399 1002026123 /nfs/dbraw/zinc/02/61/23/1002026123.db2.gz ZIVVNUBSPVOAJB-MRXNPFEDSA-N 2 1 419.791 3.647 20 0 HHADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000507379038 1002034840 /nfs/dbraw/zinc/03/48/40/1002034840.db2.gz LOHPFMRYUFDJPX-HBMCJLEFSA-N 2 1 400.611 3.696 20 0 HHADMP CC[NH+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000507379038 1002034865 /nfs/dbraw/zinc/03/48/65/1002034865.db2.gz LOHPFMRYUFDJPX-HBMCJLEFSA-N 2 1 400.611 3.696 20 0 HHADMP CC[NH+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000507379038 1002034848 /nfs/dbraw/zinc/03/48/48/1002034848.db2.gz LOHPFMRYUFDJPX-HBMCJLEFSA-N 2 1 400.611 3.696 20 0 HHADMP CC[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000507383264 1002039062 /nfs/dbraw/zinc/03/90/62/1002039062.db2.gz SJMCWZXNZQVDOW-ZRCGQRJVSA-N 2 1 400.611 3.696 20 0 HHADMP CC[NH+]1CCC[C@H](CNC(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000507383264 1002039089 /nfs/dbraw/zinc/03/90/89/1002039089.db2.gz SJMCWZXNZQVDOW-ZRCGQRJVSA-N 2 1 400.611 3.696 20 0 HHADMP CC[NH+]1CCC[C@H](CNC(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000507383264 1002039074 /nfs/dbraw/zinc/03/90/74/1002039074.db2.gz SJMCWZXNZQVDOW-ZRCGQRJVSA-N 2 1 400.611 3.696 20 0 HHADMP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000498676170 1002068051 /nfs/dbraw/zinc/06/80/51/1002068051.db2.gz PPCAHAHGUXCJFN-HAFPXEGZSA-N 2 1 422.564 3.860 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000498676170 1002068066 /nfs/dbraw/zinc/06/80/66/1002068066.db2.gz PPCAHAHGUXCJFN-HAFPXEGZSA-N 2 1 422.564 3.860 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000498676170 1002068071 /nfs/dbraw/zinc/06/80/71/1002068071.db2.gz PPCAHAHGUXCJFN-HAFPXEGZSA-N 2 1 422.564 3.860 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000498676170 1002068082 /nfs/dbraw/zinc/06/80/82/1002068082.db2.gz PPCAHAHGUXCJFN-HAFPXEGZSA-N 2 1 422.564 3.860 20 0 HHADMP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000498691476 1002078616 /nfs/dbraw/zinc/07/86/16/1002078616.db2.gz CZRKDOUSLNAUIM-GVXSCFBNSA-N 2 1 420.601 3.813 20 0 HHADMP C[C@H](NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498691476 1002078631 /nfs/dbraw/zinc/07/86/31/1002078631.db2.gz CZRKDOUSLNAUIM-GVXSCFBNSA-N 2 1 420.601 3.813 20 0 HHADMP C[C@H](NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498691476 1002078641 /nfs/dbraw/zinc/07/86/41/1002078641.db2.gz CZRKDOUSLNAUIM-GVXSCFBNSA-N 2 1 420.601 3.813 20 0 HHADMP O=C(CCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N1CCc2ccccc21 ZINC000507464068 1002086128 /nfs/dbraw/zinc/08/61/28/1002086128.db2.gz WJDXICYALWVVHJ-KMDXXIMOSA-N 2 1 403.570 3.856 20 0 HHADMP C[C@@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000499112097 1002501866 /nfs/dbraw/zinc/50/18/66/1002501866.db2.gz NWOSUVKYAZXSPZ-CHOVIJNXSA-N 2 1 408.590 3.888 20 0 HHADMP Cc1cc(N2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)nc(C)n1 ZINC000499123070 1002509309 /nfs/dbraw/zinc/50/93/09/1002509309.db2.gz FQSBSXOUDQOSIF-JOZNFPNDSA-N 2 1 405.590 3.847 20 0 HHADMP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cn2)C[C@H](C)O1 ZINC000499138313 1002523442 /nfs/dbraw/zinc/52/34/42/1002523442.db2.gz DNEKXTNSPGJANG-QETSIRBWSA-N 2 1 420.601 3.980 20 0 HHADMP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cn2)C[C@H](C)O1 ZINC000499138313 1002523451 /nfs/dbraw/zinc/52/34/51/1002523451.db2.gz DNEKXTNSPGJANG-QETSIRBWSA-N 2 1 420.601 3.980 20 0 HHADMP COc1cc([C@@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1OCCO ZINC000499139600 1002524597 /nfs/dbraw/zinc/52/45/97/1002524597.db2.gz PUNPOAMXLKNYOL-TWHAJKEOSA-N 2 1 410.558 3.913 20 0 HHADMP O=C1C[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CN1Cc1ccccc1 ZINC000499187963 1002577373 /nfs/dbraw/zinc/57/73/73/1002577373.db2.gz FPZKALXSGSWIDJ-VPBXCIAMSA-N 2 1 403.570 3.820 20 0 HHADMP C[NH+]1CCC(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)(N2CCCCC2)CC1 ZINC000499257146 1002656796 /nfs/dbraw/zinc/65/67/96/1002656796.db2.gz TZHOBZSUSHNNMC-MPIKPJSNSA-N 3 1 410.650 3.722 20 0 HHADMP C[NH+]1CCC(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)(N2CCCCC2)CC1 ZINC000499257146 1002656804 /nfs/dbraw/zinc/65/68/04/1002656804.db2.gz TZHOBZSUSHNNMC-MPIKPJSNSA-N 2 1 410.650 3.722 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000499514774 1002903583 /nfs/dbraw/zinc/90/35/83/1002903583.db2.gz ROCXVPRGORIHKV-SFHVURJKSA-N 2 1 421.010 3.952 20 0 HHADMP CN(C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000499634197 1003000613 /nfs/dbraw/zinc/00/06/13/1003000613.db2.gz TYRVAYDOPCGFFG-XMMPIXPASA-N 2 1 423.626 3.900 20 0 HHADMP C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508692829 1003130973 /nfs/dbraw/zinc/13/09/73/1003130973.db2.gz BENOKFZMKMMGHK-TZIWHRDSSA-N 2 1 409.549 3.931 20 0 HHADMP Cc1cc(NC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)n(C2CC[NH+](C)CC2)n1 ZINC000499884561 1003220611 /nfs/dbraw/zinc/22/06/11/1003220611.db2.gz CUOJBKAYTCAVPQ-UXHICEINSA-N 2 1 424.593 3.585 20 0 HHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)CCC[N@@H+](C)Cc1ccco1)[NH+](C)C ZINC000508870113 1003291106 /nfs/dbraw/zinc/29/11/06/1003291106.db2.gz KQWLJAFLZGJYEH-KNQAVFIVSA-N 2 1 400.567 3.743 20 0 HHADMP CC(C)(CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@H+]1CCc2ccccc2C1 ZINC000500127055 1003488343 /nfs/dbraw/zinc/48/83/43/1003488343.db2.gz BXWBNZPKFXQRAJ-UHFFFAOYSA-N 2 1 420.601 3.919 20 0 HHADMP C[C@@H]([NH2+]CCCN1CCN(c2ccccc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000509020028 1003491929 /nfs/dbraw/zinc/49/19/29/1003491929.db2.gz BHIOQPYHARNIQS-NOZRDPDXSA-N 2 1 406.618 3.699 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000509365704 1003794759 /nfs/dbraw/zinc/79/47/59/1003794759.db2.gz LENNOJJSBSSENX-XLIONFOSSA-N 2 1 410.587 3.592 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000509365704 1003794766 /nfs/dbraw/zinc/79/47/66/1003794766.db2.gz LENNOJJSBSSENX-XLIONFOSSA-N 2 1 410.587 3.592 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000509365704 1003794774 /nfs/dbraw/zinc/79/47/74/1003794774.db2.gz LENNOJJSBSSENX-XLIONFOSSA-N 2 1 410.587 3.592 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000509365704 1003794779 /nfs/dbraw/zinc/79/47/79/1003794779.db2.gz LENNOJJSBSSENX-XLIONFOSSA-N 2 1 410.587 3.592 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000500762087 1003942439 /nfs/dbraw/zinc/94/24/39/1003942439.db2.gz CUCNKMNSVOLGDO-UHFFFAOYSA-N 2 1 409.578 3.591 20 0 HHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1)c1ccco1 ZINC000509595178 1003968074 /nfs/dbraw/zinc/96/80/74/1003968074.db2.gz GPGRCTUGRCXMSX-HKUYNNGSSA-N 2 1 400.523 3.665 20 0 HHADMP CCCC[NH+]1CCC(NC(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512091904 1004016523 /nfs/dbraw/zinc/01/65/23/1004016523.db2.gz VJTDYHOPKZALOV-UNMCSNQZSA-N 2 1 400.611 3.851 20 0 HHADMP CC[N@H+](Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCO[C@@H](C)C3)c2)cc1)C1CC1 ZINC000512149170 1004058589 /nfs/dbraw/zinc/05/85/89/1004058589.db2.gz PCPFEFJAJVPQOL-FQEVSTJZSA-N 2 1 421.585 3.822 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCO[C@@H](C)C3)c2)cc1)C1CC1 ZINC000512149170 1004058595 /nfs/dbraw/zinc/05/85/95/1004058595.db2.gz PCPFEFJAJVPQOL-FQEVSTJZSA-N 2 1 421.585 3.822 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1)C1CC1 ZINC000512149170 1004058604 /nfs/dbraw/zinc/05/86/04/1004058604.db2.gz PCPFEFJAJVPQOL-FQEVSTJZSA-N 2 1 421.585 3.822 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1)C1CC1 ZINC000512149170 1004058610 /nfs/dbraw/zinc/05/86/10/1004058610.db2.gz PCPFEFJAJVPQOL-FQEVSTJZSA-N 2 1 421.585 3.822 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)NCc2cccc(C[NH+](C)C)c2)C[N@H+]1Cc1ccccc1 ZINC000509744631 1004067033 /nfs/dbraw/zinc/06/70/33/1004067033.db2.gz GMGRYIRLKAETSB-YKSBVNFPSA-N 2 1 408.590 3.848 20 0 HHADMP C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)C2)CC1 ZINC000512163672 1004068924 /nfs/dbraw/zinc/06/89/24/1004068924.db2.gz GZDZRCLARSGOPN-PKTZIBPZSA-N 2 1 412.622 3.660 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)CC2)c1 ZINC000512188755 1004089817 /nfs/dbraw/zinc/08/98/17/1004089817.db2.gz CNCACYIQYMBCMT-QFIPXVFZSA-N 2 1 421.589 3.522 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)CC2)c1 ZINC000512188755 1004089826 /nfs/dbraw/zinc/08/98/26/1004089826.db2.gz CNCACYIQYMBCMT-QFIPXVFZSA-N 2 1 421.589 3.522 20 0 HHADMP O[C@@H](COc1ccc(Cl)cc1)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237448 1004139492 /nfs/dbraw/zinc/13/94/92/1004139492.db2.gz RCYCFWOAPIKCSB-FYYLOGMGSA-N 2 1 400.950 3.678 20 0 HHADMP O[C@@H](COc1ccc(Cl)cc1)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237448 1004139500 /nfs/dbraw/zinc/13/95/00/1004139500.db2.gz RCYCFWOAPIKCSB-FYYLOGMGSA-N 2 1 400.950 3.678 20 0 HHADMP O[C@@H](COc1ccc(Cl)cc1)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512237448 1004139506 /nfs/dbraw/zinc/13/95/06/1004139506.db2.gz RCYCFWOAPIKCSB-FYYLOGMGSA-N 2 1 400.950 3.678 20 0 HHADMP O[C@@H](COc1ccc(Cl)cc1)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512237448 1004139513 /nfs/dbraw/zinc/13/95/13/1004139513.db2.gz RCYCFWOAPIKCSB-FYYLOGMGSA-N 2 1 400.950 3.678 20 0 HHADMP C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501045415 1004146542 /nfs/dbraw/zinc/14/65/42/1004146542.db2.gz JVPRHIBZDMIBMX-INIZCTEOSA-N 2 1 418.488 3.858 20 0 HHADMP CN(C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCc2ccccc21 ZINC000501046147 1004147502 /nfs/dbraw/zinc/14/75/02/1004147502.db2.gz OPTNZIFEXVESER-XMMPIXPASA-N 2 1 406.574 3.766 20 0 HHADMP COc1ccc([C@@H](NC(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)C2CC2)cc1 ZINC000501046744 1004148546 /nfs/dbraw/zinc/14/85/46/1004148546.db2.gz MSWKJMYMGNWYEB-VWLOTQADSA-N 2 1 422.573 3.506 20 0 HHADMP C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501063326 1004165619 /nfs/dbraw/zinc/16/56/19/1004165619.db2.gz NZSLAEJECDMWNW-KRWDZBQOSA-N 2 1 400.954 3.588 20 0 HHADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000501065675 1004168395 /nfs/dbraw/zinc/16/83/95/1004168395.db2.gz GUUCJMOIOZUWAG-DEOSSOPVSA-N 2 1 421.589 3.604 20 0 HHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccnn2CC2CCCCC2)CC1 ZINC000512270013 1004171110 /nfs/dbraw/zinc/17/11/10/1004171110.db2.gz LRIIHEVRLWHICF-UHFFFAOYSA-N 2 1 403.615 3.846 20 0 HHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccnn2CC2CCCCC2)CC1 ZINC000512270013 1004171112 /nfs/dbraw/zinc/17/11/12/1004171112.db2.gz LRIIHEVRLWHICF-UHFFFAOYSA-N 2 1 403.615 3.846 20 0 HHADMP CCC[N@H+](CC(=O)Nc1ccc(C)c(F)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512277446 1004178295 /nfs/dbraw/zinc/17/82/95/1004178295.db2.gz GRPXWIBPDBGOEV-UHFFFAOYSA-N 2 1 413.541 3.860 20 0 HHADMP CCC[N@@H+](CC(=O)Nc1ccc(C)c(F)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512277446 1004178301 /nfs/dbraw/zinc/17/83/01/1004178301.db2.gz GRPXWIBPDBGOEV-UHFFFAOYSA-N 2 1 413.541 3.860 20 0 HHADMP CCC[N@H+](CC(=O)Nc1ccc2c(c1)CCC2)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512280733 1004182110 /nfs/dbraw/zinc/18/21/10/1004182110.db2.gz PPJZEXXTMCHKFT-UHFFFAOYSA-N 2 1 421.589 3.902 20 0 HHADMP CCC[N@@H+](CC(=O)Nc1ccc2c(c1)CCC2)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512280733 1004182115 /nfs/dbraw/zinc/18/21/15/1004182115.db2.gz PPJZEXXTMCHKFT-UHFFFAOYSA-N 2 1 421.589 3.902 20 0 HHADMP CCC[N@H+](CC(=O)N(C)[C@@H]1CCCC[C@H]1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512283441 1004185447 /nfs/dbraw/zinc/18/54/47/1004185447.db2.gz PQWATNJEQAJDMX-XMSQKQJNSA-N 2 1 415.626 3.811 20 0 HHADMP CCC[N@@H+](CC(=O)N(C)[C@@H]1CCCC[C@H]1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512283441 1004185455 /nfs/dbraw/zinc/18/54/55/1004185455.db2.gz PQWATNJEQAJDMX-XMSQKQJNSA-N 2 1 415.626 3.811 20 0 HHADMP C[N@@H+](C[C@H](O)COc1ccc(C(C)(C)C)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501082027 1004186560 /nfs/dbraw/zinc/18/65/60/1004186560.db2.gz QLGIGYGQWWASAO-QHCPKHFHSA-N 2 1 411.590 3.967 20 0 HHADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000501089373 1004195687 /nfs/dbraw/zinc/19/56/87/1004195687.db2.gz QHYZYTJKMVOITM-JKMAKKBCSA-N 2 1 422.976 3.740 20 0 HHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@H]2CCc3ccccc3C2)CC1 ZINC000512315027 1004210730 /nfs/dbraw/zinc/21/07/30/1004210730.db2.gz RJXRKRHKZLMFSM-VWLOTQADSA-N 2 1 405.586 3.519 20 0 HHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@H]2CCc3ccccc3C2)CC1 ZINC000512315027 1004210739 /nfs/dbraw/zinc/21/07/39/1004210739.db2.gz RJXRKRHKZLMFSM-VWLOTQADSA-N 2 1 405.586 3.519 20 0 HHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@H]2CCc3ccccc3C2)CC1 ZINC000512315027 1004210750 /nfs/dbraw/zinc/21/07/50/1004210750.db2.gz RJXRKRHKZLMFSM-VWLOTQADSA-N 2 1 405.586 3.519 20 0 HHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000501116488 1004215661 /nfs/dbraw/zinc/21/56/61/1004215661.db2.gz RYXJGUIVWRZJEG-RTBURBONSA-N 2 1 413.528 3.965 20 0 HHADMP C[N@H+](CCCCN1C(=O)c2ccccc2C1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000512332361 1004223319 /nfs/dbraw/zinc/22/33/19/1004223319.db2.gz PHYWKFHGSWFBNS-UHFFFAOYSA-N 2 1 405.542 3.659 20 0 HHADMP C[N@@H+](CCCCN1C(=O)c2ccccc2C1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000512332361 1004223330 /nfs/dbraw/zinc/22/33/30/1004223330.db2.gz PHYWKFHGSWFBNS-UHFFFAOYSA-N 2 1 405.542 3.659 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000512391693 1004265378 /nfs/dbraw/zinc/26/53/78/1004265378.db2.gz GVISCIWCCQCJMG-WWNPGLIZSA-N 2 1 400.611 3.660 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000512391693 1004265390 /nfs/dbraw/zinc/26/53/90/1004265390.db2.gz GVISCIWCCQCJMG-WWNPGLIZSA-N 2 1 400.611 3.660 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000512391693 1004265399 /nfs/dbraw/zinc/26/53/99/1004265399.db2.gz GVISCIWCCQCJMG-WWNPGLIZSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000512393159 1004266190 /nfs/dbraw/zinc/26/61/90/1004266190.db2.gz OKJIYDVGJKREAK-GMKZXUHWSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C[NH+]1Cc1ccccc1 ZINC000512393808 1004266786 /nfs/dbraw/zinc/26/67/86/1004266786.db2.gz VYNVOJOFMCWRGE-PUHATCMVSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C[N@@H+]1Cc1ccccc1 ZINC000512393808 1004266795 /nfs/dbraw/zinc/26/67/95/1004266795.db2.gz VYNVOJOFMCWRGE-PUHATCMVSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C[N@H+]1Cc1ccccc1 ZINC000512393808 1004266804 /nfs/dbraw/zinc/26/68/04/1004266804.db2.gz VYNVOJOFMCWRGE-PUHATCMVSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000512424841 1004290768 /nfs/dbraw/zinc/29/07/68/1004290768.db2.gz URXXLTYARIKWTK-YFNKSVMNSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000512424680 1004291187 /nfs/dbraw/zinc/29/11/87/1004291187.db2.gz SHFPAYMENQPXGI-SJHORNLWSA-N 2 1 424.633 3.945 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000512424680 1004291197 /nfs/dbraw/zinc/29/11/97/1004291197.db2.gz SHFPAYMENQPXGI-SJHORNLWSA-N 2 1 424.633 3.945 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000512424680 1004291208 /nfs/dbraw/zinc/29/12/08/1004291208.db2.gz SHFPAYMENQPXGI-SJHORNLWSA-N 2 1 424.633 3.945 20 0 HHADMP CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000512487087 1004337697 /nfs/dbraw/zinc/33/76/97/1004337697.db2.gz PXUNBVCGZAGZMP-UNMCSNQZSA-N 2 1 414.638 3.734 20 0 HHADMP C[C@@H](NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc(F)c1F ZINC000501320544 1004347363 /nfs/dbraw/zinc/34/73/63/1004347363.db2.gz PTRQYRRBALXTMY-QGZVFWFLSA-N 2 1 422.564 3.864 20 0 HHADMP C[C@H](c1ccc(NC(=O)N2CCC(CCC[NH+](C)C)CC2)cc1)[NH+]1CCOCC1 ZINC000501391305 1004386372 /nfs/dbraw/zinc/38/63/72/1004386372.db2.gz HHXDJMIMFKCUIR-LJQANCHMSA-N 2 1 402.583 3.666 20 0 HHADMP C[C@H]1C[C@@H](CCNc2ncnc3c2cnn3-c2cc[nH+]cc2)C[N@@H+]1Cc1ccccc1 ZINC000512585173 1004402201 /nfs/dbraw/zinc/40/22/01/1004402201.db2.gz BMKHMCNDHGNBFS-AZUAARDMSA-N 2 1 413.529 3.923 20 0 HHADMP C[C@H]1C[C@@H](CCNc2ncnc3c2cnn3-c2cc[nH+]cc2)C[N@H+]1Cc1ccccc1 ZINC000512585173 1004402207 /nfs/dbraw/zinc/40/22/07/1004402207.db2.gz BMKHMCNDHGNBFS-AZUAARDMSA-N 2 1 413.529 3.923 20 0 HHADMP O=S(=O)(CCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000512625962 1004438977 /nfs/dbraw/zinc/43/89/77/1004438977.db2.gz RAOBPOCFZJNXGM-YFNKSVMNSA-N 2 1 412.599 3.741 20 0 HHADMP O=S(=O)(CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000512625962 1004438982 /nfs/dbraw/zinc/43/89/82/1004438982.db2.gz RAOBPOCFZJNXGM-YFNKSVMNSA-N 2 1 412.599 3.741 20 0 HHADMP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000501475646 1004449955 /nfs/dbraw/zinc/44/99/55/1004449955.db2.gz GLRJZVOLSXEBMQ-ROUUACIJSA-N 2 1 407.002 3.867 20 0 HHADMP COC(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512653968 1004466414 /nfs/dbraw/zinc/46/64/14/1004466414.db2.gz IGSFBTJYMCQLSB-YFNKSVMNSA-N 2 1 408.542 3.629 20 0 HHADMP O=C1COc2ccccc2N1CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512661851 1004472953 /nfs/dbraw/zinc/47/29/53/1004472953.db2.gz USGQVUBHTVRHEZ-YTFSRNRJSA-N 2 1 419.569 3.692 20 0 HHADMP O=C(NCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1c(F)cccc1F ZINC000512664573 1004475783 /nfs/dbraw/zinc/47/57/83/1004475783.db2.gz AGGAYOSRUVRURH-XQBPLPMBSA-N 2 1 413.512 3.585 20 0 HHADMP C[C@@H](NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000512687960 1004493789 /nfs/dbraw/zinc/49/37/89/1004493789.db2.gz AAEQLKXAPKLTEM-CTNGQTDRSA-N 2 1 400.611 3.849 20 0 HHADMP C[C@@H](NC(=O)NC(C)(C)C[NH+](C)Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512687960 1004493794 /nfs/dbraw/zinc/49/37/94/1004493794.db2.gz AAEQLKXAPKLTEM-CTNGQTDRSA-N 2 1 400.611 3.849 20 0 HHADMP C[C@@H](NC(=O)NC(C)(C)C[NH+](C)Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512687960 1004493798 /nfs/dbraw/zinc/49/37/98/1004493798.db2.gz AAEQLKXAPKLTEM-CTNGQTDRSA-N 2 1 400.611 3.849 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)NC2CCC(C[NH+](C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000510343706 1004495428 /nfs/dbraw/zinc/49/54/28/1004495428.db2.gz UEROMQHZDDSMPU-JYUKWDKTSA-N 2 1 400.611 3.707 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1 ZINC000501546637 1004505790 /nfs/dbraw/zinc/50/57/90/1004505790.db2.gz PPRUAUKWOAKRGW-HXUWFJFHSA-N 2 1 408.590 3.946 20 0 HHADMP C[C@H](NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000512708691 1004509153 /nfs/dbraw/zinc/50/91/53/1004509153.db2.gz VFRDRIZOWYCNBF-GIWBLDEGSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@H](NC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512708691 1004509163 /nfs/dbraw/zinc/50/91/63/1004509163.db2.gz VFRDRIZOWYCNBF-GIWBLDEGSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@H](NC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512708691 1004509170 /nfs/dbraw/zinc/50/91/70/1004509170.db2.gz VFRDRIZOWYCNBF-GIWBLDEGSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@@H](NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512713325 1004512623 /nfs/dbraw/zinc/51/26/23/1004512623.db2.gz ZLSWWAIIHBYQOH-MOPGFXCFSA-N 2 1 402.583 3.538 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+]1CCCC1 ZINC000501583602 1004533846 /nfs/dbraw/zinc/53/38/46/1004533846.db2.gz XSGGYTIRHQCGIW-JOCHJYFZSA-N 2 1 416.610 3.786 20 0 HHADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000501615711 1004554757 /nfs/dbraw/zinc/55/47/57/1004554757.db2.gz HUDQEZAFHCZZTH-QFIPXVFZSA-N 2 1 424.564 3.808 20 0 HHADMP Cc1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(OCC[NH+](C)C)c1 ZINC000512836679 1004595688 /nfs/dbraw/zinc/59/56/88/1004595688.db2.gz AWDGEPZWPXYFMY-OALUTQOASA-N 2 1 402.583 3.710 20 0 HHADMP C[C@@H](NC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)C1=CC[NH+](C)CC1 ZINC000510480878 1004597603 /nfs/dbraw/zinc/59/76/03/1004597603.db2.gz LSKAXPULDVIJGG-GCJKJVERSA-N 2 1 424.614 3.797 20 0 HHADMP C[C@@H](NC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)C1=CC[NH+](C)CC1 ZINC000510480878 1004597608 /nfs/dbraw/zinc/59/76/08/1004597608.db2.gz LSKAXPULDVIJGG-GCJKJVERSA-N 2 1 424.614 3.797 20 0 HHADMP C[C@@H](NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1)C1=CC[N@H+](C)CC1 ZINC000510480878 1004597611 /nfs/dbraw/zinc/59/76/11/1004597611.db2.gz LSKAXPULDVIJGG-GCJKJVERSA-N 2 1 424.614 3.797 20 0 HHADMP C[C@@H](NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1)C1=CC[N@@H+](C)CC1 ZINC000510480878 1004597615 /nfs/dbraw/zinc/59/76/15/1004597615.db2.gz LSKAXPULDVIJGG-GCJKJVERSA-N 2 1 424.614 3.797 20 0 HHADMP C[C@H](NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510482409 1004599432 /nfs/dbraw/zinc/59/94/32/1004599432.db2.gz PGFKIPJCEVQRJM-FIKGOQFSSA-N 2 1 407.002 3.895 20 0 HHADMP C[C@H](NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510482409 1004599440 /nfs/dbraw/zinc/59/94/40/1004599440.db2.gz PGFKIPJCEVQRJM-FIKGOQFSSA-N 2 1 407.002 3.895 20 0 HHADMP O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000512839061 1004599397 /nfs/dbraw/zinc/59/93/97/1004599397.db2.gz QSJMWBQRMBBUJR-VQTJNVASSA-N 2 1 424.511 3.550 20 0 HHADMP C[C@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510495391 1004613848 /nfs/dbraw/zinc/61/38/48/1004613848.db2.gz YZPKNUWXWMHEKE-RBBKRZOGSA-N 2 1 412.622 3.646 20 0 HHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000510509483 1004632070 /nfs/dbraw/zinc/63/20/70/1004632070.db2.gz DLBLHANNDOCWJR-DENIHFKCSA-N 2 1 400.611 3.981 20 0 HHADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000501728768 1004653447 /nfs/dbraw/zinc/65/34/47/1004653447.db2.gz RUDGPWKHGZRZFS-UHFFFAOYSA-N 2 1 420.601 3.920 20 0 HHADMP C[C@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510561329 1004704057 /nfs/dbraw/zinc/70/40/57/1004704057.db2.gz NCPFMTOZFZDJKV-AZUAARDMSA-N 2 1 416.585 3.742 20 0 HHADMP CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501768223 1004705402 /nfs/dbraw/zinc/70/54/02/1004705402.db2.gz ARHHBGQXKRZQJY-INIZCTEOSA-N 2 1 409.596 3.614 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000501770158 1004707699 /nfs/dbraw/zinc/70/76/99/1004707699.db2.gz NGLGWDDVZZMCBN-TZIWHRDSSA-N 2 1 421.651 3.871 20 0 HHADMP C[C@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510575637 1004722398 /nfs/dbraw/zinc/72/23/98/1004722398.db2.gz ZMHLPLYBNDACES-QKNQBKEWSA-N 2 1 402.583 3.759 20 0 HHADMP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)Nc2nc3ccccc3s2)CC1 ZINC000501791856 1004734674 /nfs/dbraw/zinc/73/46/74/1004734674.db2.gz HADLYVRGCJVFOP-QGZVFWFLSA-N 2 1 418.607 3.694 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)Nc2nc3ccccc3s2)CC1 ZINC000501791856 1004734680 /nfs/dbraw/zinc/73/46/80/1004734680.db2.gz HADLYVRGCJVFOP-QGZVFWFLSA-N 2 1 418.607 3.694 20 0 HHADMP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000513056218 1004782948 /nfs/dbraw/zinc/78/29/48/1004782948.db2.gz FMRLSJCSCKXDNN-XXBNENTESA-N 2 1 421.651 3.848 20 0 HHADMP CCSc1ccc(CC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000501926060 1004813921 /nfs/dbraw/zinc/81/39/21/1004813921.db2.gz ZWJNNZFPJGYGNF-UHFFFAOYSA-N 2 1 417.663 3.996 20 0 HHADMP CC(C)(CNC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000510782499 1004849327 /nfs/dbraw/zinc/84/93/27/1004849327.db2.gz KUQGMFPJDOABBN-UHFFFAOYSA-N 2 1 423.626 3.802 20 0 HHADMP CC1(C)CC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC(C)(C)[NH2+]1 ZINC000510882463 1004908636 /nfs/dbraw/zinc/90/86/36/1004908636.db2.gz KLZZXPUDHVWMKI-HXUWFJFHSA-N 2 1 400.611 3.896 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@H](C)O1 ZINC000513360766 1004925522 /nfs/dbraw/zinc/92/55/22/1004925522.db2.gz DXLRZFAFOPIZOA-SFTDATJTSA-N 2 1 421.585 3.822 20 0 HHADMP O=C(Cc1ccccc1)N1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000510945807 1004948095 /nfs/dbraw/zinc/94/80/95/1004948095.db2.gz MTAWBXOHQRTYQG-VWLOTQADSA-N 2 1 423.576 3.656 20 0 HHADMP COc1ccccc1CN1CC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000513434228 1004964471 /nfs/dbraw/zinc/96/44/71/1004964471.db2.gz GQQLGTMREKUNCT-UHFFFAOYSA-N 2 1 422.617 3.543 20 0 HHADMP C[C@H]([NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000511003781 1004975706 /nfs/dbraw/zinc/97/57/06/1004975706.db2.gz WSZRMZNDKKYQHJ-TUSQITKMSA-N 2 1 405.586 3.720 20 0 HHADMP C[C@H]([NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000511003778 1004975787 /nfs/dbraw/zinc/97/57/87/1004975787.db2.gz WSZRMZNDKKYQHJ-FTBPSBKWSA-N 2 1 405.586 3.720 20 0 HHADMP CCN(C(C)=O)c1nc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cs1 ZINC000513514748 1004999625 /nfs/dbraw/zinc/99/96/25/1004999625.db2.gz YMTNUOZYQJKKQD-PXNSSMCTSA-N 2 1 400.592 3.906 20 0 HHADMP CCN(C(C)=O)c1nc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cs1 ZINC000513514748 1004999631 /nfs/dbraw/zinc/99/96/31/1004999631.db2.gz YMTNUOZYQJKKQD-PXNSSMCTSA-N 2 1 400.592 3.906 20 0 HHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000513527483 1005006330 /nfs/dbraw/zinc/00/63/30/1005006330.db2.gz SOPVOSUZCJFFHN-SANMLTNESA-N 2 1 415.585 3.688 20 0 HHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000513527482 1005006609 /nfs/dbraw/zinc/00/66/09/1005006609.db2.gz SOPVOSUZCJFFHN-AREMUKBSSA-N 2 1 415.585 3.688 20 0 HHADMP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(C)(c3nc4ccccc4s3)CC2)CC1 ZINC000511087943 1005013204 /nfs/dbraw/zinc/01/32/04/1005013204.db2.gz DEEKPGSCWJNULG-UHFFFAOYSA-N 2 1 414.619 3.639 20 0 HHADMP C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511232037 1005084035 /nfs/dbraw/zinc/08/40/35/1005084035.db2.gz QXVSNUSIFXSHGA-FKBYEOEOSA-N 2 1 404.643 3.793 20 0 HHADMP COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)c2)cc1 ZINC000513696645 1005086353 /nfs/dbraw/zinc/08/63/53/1005086353.db2.gz BUUYGMRBAALVHG-VXNXHJTFSA-N 2 1 423.557 3.789 20 0 HHADMP COc1cc(C)c(C[C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1OC ZINC000502475111 1005086749 /nfs/dbraw/zinc/08/67/49/1005086749.db2.gz IWOYBFLWGCNJLB-XXBNENTESA-N 2 1 412.574 3.690 20 0 HHADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000513713120 1005092774 /nfs/dbraw/zinc/09/27/74/1005092774.db2.gz KSUGCHXFERAQFU-ACRUOGEOSA-N 2 1 406.412 3.876 20 0 HHADMP COc1cccc([C@@H]2C[N@H+](Cc3ccccc3N(C)C3CC[NH+](C)CC3)CCO2)c1 ZINC000513713270 1005092907 /nfs/dbraw/zinc/09/29/07/1005092907.db2.gz MZHQEEIIUHCFBK-VWLOTQADSA-N 2 1 409.574 3.799 20 0 HHADMP COc1cccc([C@@H]2C[N@@H+](Cc3ccccc3N(C)C3CC[NH+](C)CC3)CCO2)c1 ZINC000513713270 1005092912 /nfs/dbraw/zinc/09/29/12/1005092912.db2.gz MZHQEEIIUHCFBK-VWLOTQADSA-N 2 1 409.574 3.799 20 0 HHADMP C[C@H](NC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)C1=CC[NH+](C)CC1 ZINC000511284819 1005107378 /nfs/dbraw/zinc/10/73/78/1005107378.db2.gz FBVXNFUSWSHLHE-LAUBAEHRSA-N 2 1 404.986 3.644 20 0 HHADMP C[C@H](NC(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1)C1=CC[N@H+](C)CC1 ZINC000511284819 1005107380 /nfs/dbraw/zinc/10/73/80/1005107380.db2.gz FBVXNFUSWSHLHE-LAUBAEHRSA-N 2 1 404.986 3.644 20 0 HHADMP C[C@H](NC(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1)C1=CC[N@@H+](C)CC1 ZINC000511284819 1005107382 /nfs/dbraw/zinc/10/73/82/1005107382.db2.gz FBVXNFUSWSHLHE-LAUBAEHRSA-N 2 1 404.986 3.644 20 0 HHADMP C[C@@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511304758 1005116590 /nfs/dbraw/zinc/11/65/90/1005116590.db2.gz GERZJJTZDKSUQR-WIYYLYMNSA-N 2 1 401.620 3.618 20 0 HHADMP C[N@@H+](CCCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000502644433 1005157072 /nfs/dbraw/zinc/15/70/72/1005157072.db2.gz NOYHKVWWFSPLQQ-UHFFFAOYSA-N 2 1 400.611 3.806 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)NC[C@H](c2cccs2)[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000511428436 1005172438 /nfs/dbraw/zinc/17/24/38/1005172438.db2.gz NSBZUUJWMOGVDT-HMXCVIKNSA-N 2 1 414.619 3.951 20 0 HHADMP O=C([C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000511505717 1005204199 /nfs/dbraw/zinc/20/41/99/1005204199.db2.gz FCLFKLVIRXNGPQ-LEWJYISDSA-N 2 1 405.533 3.621 20 0 HHADMP Cc1ccc(NCCCNC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)[nH+]c1 ZINC000514064794 1005250988 /nfs/dbraw/zinc/25/09/88/1005250988.db2.gz GOWKQALKPUVUGE-UHFFFAOYSA-N 2 1 409.578 3.542 20 0 HHADMP Cc1ccc(NCCCNC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)[nH+]c1 ZINC000514064794 1005250992 /nfs/dbraw/zinc/25/09/92/1005250992.db2.gz GOWKQALKPUVUGE-UHFFFAOYSA-N 2 1 409.578 3.542 20 0 HHADMP O=C([C@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000511648103 1005260828 /nfs/dbraw/zinc/26/08/28/1005260828.db2.gz NNKWNEUKIVQHKI-QHCPKHFHSA-N 2 1 409.549 3.772 20 0 HHADMP O=C([C@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000511648103 1005260832 /nfs/dbraw/zinc/26/08/32/1005260832.db2.gz NNKWNEUKIVQHKI-QHCPKHFHSA-N 2 1 409.549 3.772 20 0 HHADMP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000511648103 1005260836 /nfs/dbraw/zinc/26/08/36/1005260836.db2.gz NNKWNEUKIVQHKI-QHCPKHFHSA-N 2 1 409.549 3.772 20 0 HHADMP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000511648103 1005260841 /nfs/dbraw/zinc/26/08/41/1005260841.db2.gz NNKWNEUKIVQHKI-QHCPKHFHSA-N 2 1 409.549 3.772 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000514123597 1005276732 /nfs/dbraw/zinc/27/67/32/1005276732.db2.gz WAKVWZOWWLOUSN-VQTJNVASSA-N 2 1 406.640 3.914 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000514123597 1005276735 /nfs/dbraw/zinc/27/67/35/1005276735.db2.gz WAKVWZOWWLOUSN-VQTJNVASSA-N 2 1 406.640 3.914 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000514123597 1005276739 /nfs/dbraw/zinc/27/67/39/1005276739.db2.gz WAKVWZOWWLOUSN-VQTJNVASSA-N 2 1 406.640 3.914 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000514131436 1005280908 /nfs/dbraw/zinc/28/09/08/1005280908.db2.gz YGJYVGZDGZTILX-JOCHJYFZSA-N 2 1 406.574 3.782 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)cc1 ZINC000514171451 1005297981 /nfs/dbraw/zinc/29/79/81/1005297981.db2.gz BQHKLKAFMBIXBR-BJKOFHAPSA-N 2 1 406.574 3.706 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCC1 ZINC000514178665 1005299912 /nfs/dbraw/zinc/29/99/12/1005299912.db2.gz AJRPCZFSYYUXRE-CTNGQTDRSA-N 2 1 416.610 3.642 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)[NH+]1CCCC1 ZINC000514178666 1005299934 /nfs/dbraw/zinc/29/99/34/1005299934.db2.gz AJRPCZFSYYUXRE-FPOVZHCZSA-N 2 1 416.610 3.642 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1)[NH+](C)C ZINC000514181528 1005301359 /nfs/dbraw/zinc/30/13/59/1005301359.db2.gz CUFSQQPLWZCLRE-DHIUTWEWSA-N 2 1 424.589 3.743 20 0 HHADMP CC(C)(C)[N@H+]1C[C@@H](C(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)[C@H](C(F)(F)F)C1 ZINC000511803901 1005336742 /nfs/dbraw/zinc/33/67/42/1005336742.db2.gz BAYCYFXOGWTAAF-KZNAEPCWSA-N 2 1 403.533 3.809 20 0 HHADMP CC(C)(C)[NH+]1C[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)[C@H](C(F)(F)F)C1 ZINC000511803901 1005336749 /nfs/dbraw/zinc/33/67/49/1005336749.db2.gz BAYCYFXOGWTAAF-KZNAEPCWSA-N 2 1 403.533 3.809 20 0 HHADMP CC(C)(C)[NH+]1C[C@@H](C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)[C@H](C(F)(F)F)C1 ZINC000511803901 1005336754 /nfs/dbraw/zinc/33/67/54/1005336754.db2.gz BAYCYFXOGWTAAF-KZNAEPCWSA-N 2 1 403.533 3.809 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000503083624 1005343036 /nfs/dbraw/zinc/34/30/36/1005343036.db2.gz CTTMJVPZRVYRMF-FDFHNCONSA-N 2 1 424.614 3.774 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000503083624 1005343038 /nfs/dbraw/zinc/34/30/38/1005343038.db2.gz CTTMJVPZRVYRMF-FDFHNCONSA-N 2 1 424.614 3.774 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000503083624 1005343040 /nfs/dbraw/zinc/34/30/40/1005343040.db2.gz CTTMJVPZRVYRMF-FDFHNCONSA-N 2 1 424.614 3.774 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000503083624 1005343044 /nfs/dbraw/zinc/34/30/44/1005343044.db2.gz CTTMJVPZRVYRMF-FDFHNCONSA-N 2 1 424.614 3.774 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[NH+](C)C ZINC000503110009 1005349468 /nfs/dbraw/zinc/34/94/68/1005349468.db2.gz SDDGXLIBEQDJDR-RXVVDRJESA-N 2 1 412.578 3.727 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[N@@H+]1CCc2sccc2C1 ZINC000503328059 1005391119 /nfs/dbraw/zinc/39/11/19/1005391119.db2.gz HNNOGQXFEQHPKU-WOJBJXKFSA-N 2 1 418.651 3.792 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[N@H+]1CCc2sccc2C1 ZINC000503328059 1005391122 /nfs/dbraw/zinc/39/11/22/1005391122.db2.gz HNNOGQXFEQHPKU-WOJBJXKFSA-N 2 1 418.651 3.792 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[N@@H+]1CCc2sccc2C1 ZINC000503328512 1005391298 /nfs/dbraw/zinc/39/12/98/1005391298.db2.gz LODLVGGPLRUXJT-PMACEKPBSA-N 2 1 418.651 3.648 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[N@H+]1CCc2sccc2C1 ZINC000503328512 1005391302 /nfs/dbraw/zinc/39/13/02/1005391302.db2.gz LODLVGGPLRUXJT-PMACEKPBSA-N 2 1 418.651 3.648 20 0 HHADMP C[N@H+](CCC(F)(F)F)[C@H](CNC(=O)N1CCC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000504381741 1005612849 /nfs/dbraw/zinc/61/28/49/1005612849.db2.gz JYQPUEXVDDWZQS-QGZVFWFLSA-N 2 1 420.907 3.612 20 0 HHADMP C[N@@H+](CCC(F)(F)F)[C@H](CNC(=O)N1CCC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000504381741 1005612850 /nfs/dbraw/zinc/61/28/50/1005612850.db2.gz JYQPUEXVDDWZQS-QGZVFWFLSA-N 2 1 420.907 3.612 20 0 HHADMP C[NH+](CCC(F)(F)F)[C@H](CNC(=O)N1CCC[N@H+](C)CC1)c1ccc(Cl)cc1 ZINC000504381741 1005612851 /nfs/dbraw/zinc/61/28/51/1005612851.db2.gz JYQPUEXVDDWZQS-QGZVFWFLSA-N 2 1 420.907 3.612 20 0 HHADMP C[NH+](CCC(F)(F)F)[C@H](CNC(=O)N1CCC[N@@H+](C)CC1)c1ccc(Cl)cc1 ZINC000504381741 1005612852 /nfs/dbraw/zinc/61/28/52/1005612852.db2.gz JYQPUEXVDDWZQS-QGZVFWFLSA-N 2 1 420.907 3.612 20 0 HHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000504434634 1005627900 /nfs/dbraw/zinc/62/79/00/1005627900.db2.gz DWEYDRFJMKZJJA-OAQYLSRUSA-N 2 1 423.605 3.729 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000514413106 1005978963 /nfs/dbraw/zinc/97/89/63/1005978963.db2.gz WDOUCKTWZBNRFE-IBGZPJMESA-N 2 1 402.583 3.666 20 0 HHADMP C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000534054499 1006023701 /nfs/dbraw/zinc/02/37/01/1006023701.db2.gz CXDXIGZVKVTVMI-FDFHNCONSA-N 2 1 412.965 3.659 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000534054499 1006023715 /nfs/dbraw/zinc/02/37/15/1006023715.db2.gz CXDXIGZVKVTVMI-FDFHNCONSA-N 2 1 412.965 3.659 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000534054499 1006023726 /nfs/dbraw/zinc/02/37/26/1006023726.db2.gz CXDXIGZVKVTVMI-FDFHNCONSA-N 2 1 412.965 3.659 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000534054499 1006023731 /nfs/dbraw/zinc/02/37/31/1006023731.db2.gz CXDXIGZVKVTVMI-FDFHNCONSA-N 2 1 412.965 3.659 20 0 HHADMP C[N@H+](CCNC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)Cc1ccccc1 ZINC000531165497 1006025072 /nfs/dbraw/zinc/02/50/72/1006025072.db2.gz WZIQEMGNYZLXLK-UHFFFAOYSA-N 2 1 417.956 3.939 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)Cc1ccccc1 ZINC000531165497 1006025086 /nfs/dbraw/zinc/02/50/86/1006025086.db2.gz WZIQEMGNYZLXLK-UHFFFAOYSA-N 2 1 417.956 3.939 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cnc2ccsc2c1 ZINC000531189437 1006035544 /nfs/dbraw/zinc/03/55/44/1006035544.db2.gz DPDVNEHWHKANOM-UHFFFAOYSA-N 2 1 400.592 3.565 20 0 HHADMP CCC(CC)(CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000531300490 1006103255 /nfs/dbraw/zinc/10/32/55/1006103255.db2.gz WMBDFAXTRWYCOI-LVXARBLLSA-N 2 1 423.601 3.649 20 0 HHADMP O=C(C[N@H+]1CCc2ccccc2[C@H]1Cc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000534151238 1006129552 /nfs/dbraw/zinc/12/95/52/1006129552.db2.gz NFIAPWKOIHWVBX-RUZDIDTESA-N 2 1 403.570 3.572 20 0 HHADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000514833564 1006163733 /nfs/dbraw/zinc/16/37/33/1006163733.db2.gz JEGDJVJJZPNIIG-RPBOFIJWSA-N 2 1 420.601 3.712 20 0 HHADMP O=C(NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000514833564 1006163744 /nfs/dbraw/zinc/16/37/44/1006163744.db2.gz JEGDJVJJZPNIIG-RPBOFIJWSA-N 2 1 420.601 3.712 20 0 HHADMP O=C(NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000514833564 1006163754 /nfs/dbraw/zinc/16/37/54/1006163754.db2.gz JEGDJVJJZPNIIG-RPBOFIJWSA-N 2 1 420.601 3.712 20 0 HHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534249078 1006256397 /nfs/dbraw/zinc/25/63/97/1006256397.db2.gz AKYFSYOBDOIPSI-LVCYWYKZSA-N 2 1 424.992 3.988 20 0 HHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534249078 1006256405 /nfs/dbraw/zinc/25/64/05/1006256405.db2.gz AKYFSYOBDOIPSI-LVCYWYKZSA-N 2 1 424.992 3.988 20 0 HHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534249078 1006256413 /nfs/dbraw/zinc/25/64/13/1006256413.db2.gz AKYFSYOBDOIPSI-LVCYWYKZSA-N 2 1 424.992 3.988 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2CNc2cccc(C[NH+]3CCN(C)CC3)c2)CC1 ZINC000531532119 1006259823 /nfs/dbraw/zinc/25/98/23/1006259823.db2.gz UCQBQLFCWYEIHX-UHFFFAOYSA-N 2 1 421.633 3.578 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000531540448 1006264753 /nfs/dbraw/zinc/26/47/53/1006264753.db2.gz OWPINEHBTHELJX-NQIIRXRSSA-N 2 1 407.002 3.754 20 0 HHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCSCCOc1cccc(Br)c1 ZINC000531715211 1006374194 /nfs/dbraw/zinc/37/41/94/1006374194.db2.gz ABCQMOUJVSHVRF-IIDMSEBBSA-N 2 1 401.414 3.879 20 0 HHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000531759633 1006403665 /nfs/dbraw/zinc/40/36/65/1006403665.db2.gz ZBXCKLVVNLHRHG-PKTZIBPZSA-N 2 1 416.997 3.669 20 0 HHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Br)cc4cccnc43)C2)CC1 ZINC000531841985 1006464099 /nfs/dbraw/zinc/46/40/99/1006464099.db2.gz RJZZDRAYTQFZHT-HXUWFJFHSA-N 2 1 417.395 3.598 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000515518340 1006510296 /nfs/dbraw/zinc/51/02/96/1006510296.db2.gz AKXIUYMTGDIJCY-ROUUACIJSA-N 2 1 409.530 3.764 20 0 HHADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3csc(-c4ccccc4F)n3)CC2)CC1 ZINC000515556550 1006533064 /nfs/dbraw/zinc/53/30/64/1006533064.db2.gz LDIJSTWCRLYYHO-UHFFFAOYSA-N 2 1 402.583 3.799 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)cc1 ZINC000531970485 1006553198 /nfs/dbraw/zinc/55/31/98/1006553198.db2.gz WFNOIIJZALVJNJ-RDPSFJRHSA-N 2 1 404.558 3.775 20 0 HHADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000531976294 1006556189 /nfs/dbraw/zinc/55/61/89/1006556189.db2.gz WLNVPZUOADQIBC-JPYJTQIMSA-N 2 1 415.965 3.592 20 0 HHADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000531976294 1006556197 /nfs/dbraw/zinc/55/61/97/1006556197.db2.gz WLNVPZUOADQIBC-JPYJTQIMSA-N 2 1 415.965 3.592 20 0 HHADMP Cc1oc2ccccc2c1C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000534630338 1006611319 /nfs/dbraw/zinc/61/13/19/1006611319.db2.gz SXNNCDWBKLBKHV-UHFFFAOYSA-N 2 1 407.514 3.692 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)NC(=O)NC1CCCCC1 ZINC000515756050 1006644288 /nfs/dbraw/zinc/64/42/88/1006644288.db2.gz GPJDDOLFIDPZMR-MOPGFXCFSA-N 2 1 414.594 3.698 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2c(C)nc3sc(C)nn23)CC1 ZINC000538409961 1006677707 /nfs/dbraw/zinc/67/77/07/1006677707.db2.gz HNDSFBYHSXXNIW-CQSZACIVSA-N 2 1 416.570 3.539 20 0 HHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](CC(=O)N[C@@H](c3cccs3)C(C)(C)C)CC2)C[C@H](C)O1 ZINC000532155698 1006679413 /nfs/dbraw/zinc/67/94/13/1006679413.db2.gz LQJOAGYNAJSJEF-SVMVAKDDSA-N 2 1 421.651 3.773 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](CC(=O)N[C@@H](c3cccs3)C(C)(C)C)CC2)C[C@H](C)O1 ZINC000532155698 1006679422 /nfs/dbraw/zinc/67/94/22/1006679422.db2.gz LQJOAGYNAJSJEF-SVMVAKDDSA-N 2 1 421.651 3.773 20 0 HHADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)C[NH+]1CCCC1 ZINC000515809982 1006690588 /nfs/dbraw/zinc/69/05/88/1006690588.db2.gz FYOSUVUJIIXHGW-FQEVSTJZSA-N 2 1 400.611 3.982 20 0 HHADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc2c(c1)OCCCO2 ZINC000532188488 1006707092 /nfs/dbraw/zinc/70/70/92/1006707092.db2.gz FJYKOQUNAXLJQT-MJGOQNOKSA-N 2 1 401.576 3.549 20 0 HHADMP CC[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(OC)c(OC)c1 ZINC000532188401 1006707285 /nfs/dbraw/zinc/70/72/85/1006707285.db2.gz FCGMLKHFEBYSNP-MOPGFXCFSA-N 2 1 403.592 3.795 20 0 HHADMP C[C@@H]1CN([C@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)c2c(F)cccc2Cl)CCO1 ZINC000532202236 1006718172 /nfs/dbraw/zinc/71/81/72/1006718172.db2.gz NFIOUTMXOQLRTG-IIBYNOLFSA-N 2 1 409.977 3.705 20 0 HHADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000532232289 1006737922 /nfs/dbraw/zinc/73/79/22/1006737922.db2.gz DVDZPOOYTWBCRW-FDDCHVKYSA-N 2 1 415.965 3.592 20 0 HHADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000532232289 1006737934 /nfs/dbraw/zinc/73/79/34/1006737934.db2.gz DVDZPOOYTWBCRW-FDDCHVKYSA-N 2 1 415.965 3.592 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000532249826 1006749214 /nfs/dbraw/zinc/74/92/14/1006749214.db2.gz LXZAJMHGIVEEND-SPEDKVCISA-N 2 1 401.576 3.619 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000532249826 1006749221 /nfs/dbraw/zinc/74/92/21/1006749221.db2.gz LXZAJMHGIVEEND-SPEDKVCISA-N 2 1 401.576 3.619 20 0 HHADMP C[NH+](C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000515922838 1006765795 /nfs/dbraw/zinc/76/57/95/1006765795.db2.gz LRLCVUNQGGKCSB-JOCHJYFZSA-N 2 1 412.553 3.564 20 0 HHADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C(C)(C)C)CC1 ZINC000532347241 1006807820 /nfs/dbraw/zinc/80/78/20/1006807820.db2.gz BENYRQJBEOUSGM-UHFFFAOYSA-N 2 1 411.638 3.986 20 0 HHADMP COc1cc(F)c([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1OC ZINC000532442179 1006884867 /nfs/dbraw/zinc/88/48/67/1006884867.db2.gz AWRDJOCJEIZEEZ-QAPCUYQASA-N 2 1 407.555 3.544 20 0 HHADMP COc1cc(C)c([C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1OC ZINC000532442198 1006886110 /nfs/dbraw/zinc/88/61/10/1006886110.db2.gz GYOIKDXKVJZDGI-PKOBYXMFSA-N 2 1 403.592 3.713 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H]2CCc3c2cccc3Cl)c1 ZINC000532448505 1006891283 /nfs/dbraw/zinc/89/12/83/1006891283.db2.gz XCUZTVNSBBRHRC-JOCHJYFZSA-N 2 1 413.949 3.778 20 0 HHADMP FC(F)(F)c1cccc(N2CC[NH+](CCCNC3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC000532449782 1006892314 /nfs/dbraw/zinc/89/23/14/1006892314.db2.gz ZAVJHQOSWKUUJT-UHFFFAOYSA-N 2 1 424.555 3.682 20 0 HHADMP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)N2CCOCC2)cc1 ZINC000532460349 1006899868 /nfs/dbraw/zinc/89/98/68/1006899868.db2.gz GWEKUCUGDYWRJM-QQSVUBKYSA-N 2 1 423.601 3.711 20 0 HHADMP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)N2CCOCC2)cc1 ZINC000532460349 1006899881 /nfs/dbraw/zinc/89/98/81/1006899881.db2.gz GWEKUCUGDYWRJM-QQSVUBKYSA-N 2 1 423.601 3.711 20 0 HHADMP COc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)N2CCOCC2)cc1 ZINC000532460347 1006900178 /nfs/dbraw/zinc/90/01/78/1006900178.db2.gz GWEKUCUGDYWRJM-DSBYRVASSA-N 2 1 423.601 3.711 20 0 HHADMP COc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)N2CCOCC2)cc1 ZINC000532460347 1006900188 /nfs/dbraw/zinc/90/01/88/1006900188.db2.gz GWEKUCUGDYWRJM-DSBYRVASSA-N 2 1 423.601 3.711 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538665955 1006949756 /nfs/dbraw/zinc/94/97/56/1006949756.db2.gz OIQRNSYZHGVAJO-CZAAIQMYSA-N 2 1 424.992 3.986 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538665955 1006949765 /nfs/dbraw/zinc/94/97/65/1006949765.db2.gz OIQRNSYZHGVAJO-CZAAIQMYSA-N 2 1 424.992 3.986 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538665955 1006949777 /nfs/dbraw/zinc/94/97/77/1006949777.db2.gz OIQRNSYZHGVAJO-CZAAIQMYSA-N 2 1 424.992 3.986 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538665955 1006949791 /nfs/dbraw/zinc/94/97/91/1006949791.db2.gz OIQRNSYZHGVAJO-CZAAIQMYSA-N 2 1 424.992 3.986 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)cc1)C(C)C ZINC000534920702 1006956513 /nfs/dbraw/zinc/95/65/13/1006956513.db2.gz TWABXEMINPXGDU-DQEYMECFSA-N 2 1 423.601 3.530 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cc1)C(C)C ZINC000534920702 1006956525 /nfs/dbraw/zinc/95/65/25/1006956525.db2.gz TWABXEMINPXGDU-DQEYMECFSA-N 2 1 423.601 3.530 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cc1)C(C)C ZINC000534920702 1006956534 /nfs/dbraw/zinc/95/65/34/1006956534.db2.gz TWABXEMINPXGDU-DQEYMECFSA-N 2 1 423.601 3.530 20 0 HHADMP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000532549998 1006981455 /nfs/dbraw/zinc/98/14/55/1006981455.db2.gz KQVXNBPSFRQMQT-BZSNNMDCSA-N 2 1 407.986 3.797 20 0 HHADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3cccc(NC(=O)c4ccccc4)c3)C2)CC1 ZINC000532552491 1006984019 /nfs/dbraw/zinc/98/40/19/1006984019.db2.gz RHMMJJKKDRCXNG-GBXCKJPGSA-N 2 1 406.574 3.712 20 0 HHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000538724163 1007001067 /nfs/dbraw/zinc/00/10/67/1007001067.db2.gz WECLBENIXHONIZ-UZUQRXQVSA-N 2 1 416.013 3.600 20 0 HHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000538724163 1007001080 /nfs/dbraw/zinc/00/10/80/1007001080.db2.gz WECLBENIXHONIZ-UZUQRXQVSA-N 2 1 416.013 3.600 20 0 HHADMP COc1nc2ccccc2cc1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000538724078 1007002286 /nfs/dbraw/zinc/00/22/86/1007002286.db2.gz QNNKZRYXHRCPFD-UHFFFAOYSA-N 2 1 410.606 3.872 20 0 HHADMP C[NH+]1CCN([C@H](C[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)c2cccs2)CC1 ZINC000516373178 1007048643 /nfs/dbraw/zinc/04/86/43/1007048643.db2.gz TUAOCNPORGCAFW-BVYCBKJFSA-N 2 1 417.594 3.933 20 0 HHADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3nc4ccc(Cl)cc4n3C)CC2)C[C@H](C)O1 ZINC000538763607 1007049166 /nfs/dbraw/zinc/04/91/66/1007049166.db2.gz MSLPYHGKYBSJLI-IRXDYDNUSA-N 2 1 404.986 3.938 20 0 HHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000532627870 1007050000 /nfs/dbraw/zinc/05/00/00/1007050000.db2.gz PWABMWQDQKFQLU-FGZHOGPDSA-N 2 1 402.970 3.610 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534991202 1007050970 /nfs/dbraw/zinc/05/09/70/1007050970.db2.gz CLBLDTBDCKSYGA-MDYRTPRTSA-N 2 1 410.965 3.503 20 0 HHADMP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534991202 1007050983 /nfs/dbraw/zinc/05/09/83/1007050983.db2.gz CLBLDTBDCKSYGA-MDYRTPRTSA-N 2 1 410.965 3.503 20 0 HHADMP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534991202 1007050996 /nfs/dbraw/zinc/05/09/96/1007050996.db2.gz CLBLDTBDCKSYGA-MDYRTPRTSA-N 2 1 410.965 3.503 20 0 HHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000538795944 1007076745 /nfs/dbraw/zinc/07/67/45/1007076745.db2.gz FIRQSERWOHEGDS-AKIFATBCSA-N 2 1 416.997 3.885 20 0 HHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000538795944 1007076759 /nfs/dbraw/zinc/07/67/59/1007076759.db2.gz FIRQSERWOHEGDS-AKIFATBCSA-N 2 1 416.997 3.885 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc1F ZINC000516717062 1007254729 /nfs/dbraw/zinc/25/47/29/1007254729.db2.gz ZBRGMDPYVPYSQQ-OAQYLSRUSA-N 2 1 401.530 3.630 20 0 HHADMP Cc1sc2nc(C[NH+]3CCC(CC[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)nc(N)c2c1C ZINC000538966924 1007257608 /nfs/dbraw/zinc/25/76/08/1007257608.db2.gz MMBJSOSNWGSRPC-GASCZTMLSA-N 2 1 417.623 3.602 20 0 HHADMP Cc1sc2nc(C[NH+]3CCC(CC[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)nc(N)c2c1C ZINC000538966924 1007257619 /nfs/dbraw/zinc/25/76/19/1007257619.db2.gz MMBJSOSNWGSRPC-GASCZTMLSA-N 2 1 417.623 3.602 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1nc2c(s1)CCCC2 ZINC000538987768 1007282530 /nfs/dbraw/zinc/28/25/30/1007282530.db2.gz NGJHCTVOUHTUNJ-VQIMIIECSA-N 2 1 412.603 3.570 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1nc2c(s1)CCCC2 ZINC000538987768 1007282543 /nfs/dbraw/zinc/28/25/43/1007282543.db2.gz NGJHCTVOUHTUNJ-VQIMIIECSA-N 2 1 412.603 3.570 20 0 HHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000539062581 1007355318 /nfs/dbraw/zinc/35/53/18/1007355318.db2.gz WPTDINBUUCWADK-GBESFXJTSA-N 2 1 409.368 3.630 20 0 HHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCC(=O)Nc3ccccc3-c3ccccc3)C2)CC1 ZINC000532986448 1007357141 /nfs/dbraw/zinc/35/71/41/1007357141.db2.gz NGFXAIAVFZXWPR-QHCPKHFHSA-N 2 1 420.601 3.783 20 0 HHADMP Cc1c([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000539072106 1007363111 /nfs/dbraw/zinc/36/31/11/1007363111.db2.gz CSJOSHKLMVLNPK-IXDOHACOSA-N 2 1 405.974 3.769 20 0 HHADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1Cl ZINC000539081492 1007371580 /nfs/dbraw/zinc/37/15/80/1007371580.db2.gz ZHHYUQKEYFDVAF-GOSISDBHSA-N 2 1 407.986 3.990 20 0 HHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N[C@@H]2CCOc3ccccc32)CC1)CC(C)C ZINC000539096606 1007386133 /nfs/dbraw/zinc/38/61/33/1007386133.db2.gz IDJVHVYQUBYVRM-JOCHJYFZSA-N 2 1 401.595 3.706 20 0 HHADMP CCC[N@H+](CCc1nc2ccccc2n1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533061607 1007423467 /nfs/dbraw/zinc/42/34/67/1007423467.db2.gz YYBLWRSDIGNEED-UHFFFAOYSA-N 2 1 406.578 3.904 20 0 HHADMP CCC[N@@H+](CCc1nc2ccccc2n1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533061607 1007423473 /nfs/dbraw/zinc/42/34/73/1007423473.db2.gz YYBLWRSDIGNEED-UHFFFAOYSA-N 2 1 406.578 3.904 20 0 HHADMP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccc(Cl)cc2)C1 ZINC000535504089 1007560498 /nfs/dbraw/zinc/56/04/98/1007560498.db2.gz NCWMMKZGCFVACT-QMMLZNLJSA-N 2 1 407.002 3.897 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccc(Cl)cc2)C1 ZINC000535504089 1007560508 /nfs/dbraw/zinc/56/05/08/1007560508.db2.gz NCWMMKZGCFVACT-QMMLZNLJSA-N 2 1 407.002 3.897 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)C1 ZINC000535504089 1007560516 /nfs/dbraw/zinc/56/05/16/1007560516.db2.gz NCWMMKZGCFVACT-QMMLZNLJSA-N 2 1 407.002 3.897 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)C1 ZINC000535504089 1007560530 /nfs/dbraw/zinc/56/05/30/1007560530.db2.gz NCWMMKZGCFVACT-QMMLZNLJSA-N 2 1 407.002 3.897 20 0 HHADMP O=C(C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)NCc1cccc(Cl)c1 ZINC000535674709 1007698133 /nfs/dbraw/zinc/69/81/33/1007698133.db2.gz HWZIHWBKYKJREK-UHFFFAOYSA-N 2 1 411.977 3.944 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3c(C4CC4)nc4sccn34)CC2)CC1 ZINC000539403759 1007711476 /nfs/dbraw/zinc/71/14/76/1007711476.db2.gz CAJFSZRGOCYFMO-UHFFFAOYSA-N 2 1 415.651 3.901 20 0 HHADMP CC1CC[NH+](CCNC(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535683959 1007714798 /nfs/dbraw/zinc/71/47/98/1007714798.db2.gz OCGVLQRKQUUVMU-XLIONFOSSA-N 2 1 410.965 3.503 20 0 HHADMP Cn1cc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(-c2ccccc2)n1 ZINC000539408568 1007715324 /nfs/dbraw/zinc/71/53/24/1007715324.db2.gz ZAKLAPUXUKQCQV-UHFFFAOYSA-N 2 1 409.622 3.715 20 0 HHADMP Cn1cc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(-c2ccccc2)n1 ZINC000539408568 1007715336 /nfs/dbraw/zinc/71/53/36/1007715336.db2.gz ZAKLAPUXUKQCQV-UHFFFAOYSA-N 3 1 409.622 3.715 20 0 HHADMP Cn1cc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(-c2ccccc2)n1 ZINC000539408568 1007715348 /nfs/dbraw/zinc/71/53/48/1007715348.db2.gz ZAKLAPUXUKQCQV-UHFFFAOYSA-N 3 1 409.622 3.715 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)c1ccco1 ZINC000535700325 1007737528 /nfs/dbraw/zinc/73/75/28/1007737528.db2.gz MWRIBEWDSUTFTP-OAQYLSRUSA-N 2 1 410.562 3.580 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccco1 ZINC000535700325 1007737537 /nfs/dbraw/zinc/73/75/37/1007737537.db2.gz MWRIBEWDSUTFTP-OAQYLSRUSA-N 2 1 410.562 3.580 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000535702598 1007739556 /nfs/dbraw/zinc/73/95/56/1007739556.db2.gz UUOFUUMVMPMTBP-DBSRCYSRSA-N 2 1 424.992 3.986 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000535702598 1007739584 /nfs/dbraw/zinc/73/95/84/1007739584.db2.gz UUOFUUMVMPMTBP-DBSRCYSRSA-N 2 1 424.992 3.986 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000535702598 1007739596 /nfs/dbraw/zinc/73/95/96/1007739596.db2.gz UUOFUUMVMPMTBP-DBSRCYSRSA-N 2 1 424.992 3.986 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C3CCC(c4ccc(O)cc4)CC3)c2)C1 ZINC000539501709 1007812275 /nfs/dbraw/zinc/81/22/75/1007812275.db2.gz GQYTXOCQLUBHLK-SHSGKGFPSA-N 2 1 421.585 3.906 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)NCC(C)(C)[N@H+]3CCC[C@H](C)C3)c(C)c2)CC1 ZINC000517642401 1007852504 /nfs/dbraw/zinc/85/25/04/1007852504.db2.gz RZJRGVGHLGNWPE-IBGZPJMESA-N 2 1 415.626 3.769 20 0 HHADMP CCC1(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000533593040 1007892207 /nfs/dbraw/zinc/89/22/07/1007892207.db2.gz RRLFXDMSBFLVMJ-XZOQPEGZSA-N 2 1 412.622 3.805 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[NH+](CCc2cccs2)CC1)c1ccsc1 ZINC000517676466 1007892302 /nfs/dbraw/zinc/89/23/02/1007892302.db2.gz DOIACYQMGKIXQU-HXUWFJFHSA-N 2 1 420.648 3.762 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000539628809 1007945737 /nfs/dbraw/zinc/94/57/37/1007945737.db2.gz VSSQWIGXXVRTOT-HFZDXXHNSA-N 2 1 419.617 3.936 20 0 HHADMP Cc1cccc([C@@H]2CC[N@@H+](CC(=O)NC3CC[NH+](Cc4ccccc4C)CC3)C2)c1 ZINC000517777161 1007960006 /nfs/dbraw/zinc/96/00/06/1007960006.db2.gz CJZSODBKKDPTEY-XMMPIXPASA-N 2 1 405.586 3.874 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)cc2)C1 ZINC000535942096 1007974215 /nfs/dbraw/zinc/97/42/15/1007974215.db2.gz FTTBULVVPPTDIE-HYBUGGRVSA-N 2 1 412.622 3.792 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539767377 1008085255 /nfs/dbraw/zinc/08/52/55/1008085255.db2.gz VURMFRXASBVMGB-YYWHXJBOSA-N 2 1 422.976 3.883 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539767377 1008085264 /nfs/dbraw/zinc/08/52/64/1008085264.db2.gz VURMFRXASBVMGB-YYWHXJBOSA-N 2 1 422.976 3.883 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1F ZINC000536096805 1008119816 /nfs/dbraw/zinc/11/98/16/1008119816.db2.gz VRHMAUGXWJPKPK-IFMALSPDSA-N 2 1 407.493 3.564 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1F ZINC000536096805 1008119819 /nfs/dbraw/zinc/11/98/19/1008119819.db2.gz VRHMAUGXWJPKPK-IFMALSPDSA-N 2 1 407.493 3.564 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000518402428 1008289690 /nfs/dbraw/zinc/28/96/90/1008289690.db2.gz AHLYVVHASLTQBC-KDURUIRLSA-N 2 1 404.599 3.642 20 0 HHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000518440122 1008306453 /nfs/dbraw/zinc/30/64/53/1008306453.db2.gz BVJAKXSDRFGLLZ-HXUWFJFHSA-N 2 1 400.611 3.982 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(Br)c2)[C@H](C)C1 ZINC000540143453 1008310075 /nfs/dbraw/zinc/31/00/75/1008310075.db2.gz GSQVUAXTQSFCIT-BEFAXECRSA-N 2 1 401.364 3.857 20 0 HHADMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000540246013 1008351143 /nfs/dbraw/zinc/35/11/43/1008351143.db2.gz BXWKYZGROCSWPD-IRXDYDNUSA-N 2 1 400.485 3.796 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1cccc(S(N)(=O)=O)c1 ZINC000540257957 1008357565 /nfs/dbraw/zinc/35/75/65/1008357565.db2.gz ADTWCBADCIHONH-MSOLQXFVSA-N 2 1 401.576 3.559 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)c1cccc(S(N)(=O)=O)c1 ZINC000540257957 1008357568 /nfs/dbraw/zinc/35/75/68/1008357568.db2.gz ADTWCBADCIHONH-MSOLQXFVSA-N 2 1 401.576 3.559 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1cccc(S(N)(=O)=O)c1 ZINC000540257958 1008357640 /nfs/dbraw/zinc/35/76/40/1008357640.db2.gz ADTWCBADCIHONH-QZTJIDSGSA-N 2 1 401.576 3.559 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)c1cccc(S(N)(=O)=O)c1 ZINC000540257958 1008357645 /nfs/dbraw/zinc/35/76/45/1008357645.db2.gz ADTWCBADCIHONH-QZTJIDSGSA-N 2 1 401.576 3.559 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000540264841 1008360359 /nfs/dbraw/zinc/36/03/59/1008360359.db2.gz LWTQDPYBCXTATN-ZWKOTPCHSA-N 2 1 401.576 3.559 20 0 HHADMP COc1ccc([C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C2CC2)cc1 ZINC000540301487 1008372695 /nfs/dbraw/zinc/37/26/95/1008372695.db2.gz ZTIGUNRSIQFLEE-VWNXMTODSA-N 2 1 407.558 3.633 20 0 HHADMP COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000540467652 1008442833 /nfs/dbraw/zinc/44/28/33/1008442833.db2.gz FIKADIVLZMVRBX-INIZCTEOSA-N 2 1 406.486 3.565 20 0 HHADMP C[C@H]1C[NH+](Cc2ccc(C(=O)N(CC[NH+](C)C)C3CCCCC3)cc2)C[C@H](C)O1 ZINC000518892716 1008462008 /nfs/dbraw/zinc/46/20/08/1008462008.db2.gz ZLFIVCXIYNLHDH-PMACEKPBSA-N 2 1 401.595 3.632 20 0 HHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](Cc3ccccc3)C(C)C)CC2)cc1 ZINC000540560792 1008482122 /nfs/dbraw/zinc/48/21/22/1008482122.db2.gz ZIMROSZHRZWWEG-UHFFFAOYSA-N 2 1 409.574 3.640 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](Cc3ccccc3)C(C)C)CC2)cc1 ZINC000540560792 1008482126 /nfs/dbraw/zinc/48/21/26/1008482126.db2.gz ZIMROSZHRZWWEG-UHFFFAOYSA-N 2 1 409.574 3.640 20 0 HHADMP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](Cc3ccccc3)C(C)C)CC2)cc1 ZINC000540560792 1008482128 /nfs/dbraw/zinc/48/21/28/1008482128.db2.gz ZIMROSZHRZWWEG-UHFFFAOYSA-N 2 1 409.574 3.640 20 0 HHADMP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](Cc3ccccc3)C(C)C)CC2)cc1 ZINC000540560792 1008482131 /nfs/dbraw/zinc/48/21/31/1008482131.db2.gz ZIMROSZHRZWWEG-UHFFFAOYSA-N 2 1 409.574 3.640 20 0 HHADMP C[C@H]1C[C@H](N(C)C(=O)NCC2(C[NH+](C)C)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000545448724 1008561692 /nfs/dbraw/zinc/56/16/92/1008561692.db2.gz XTKTXWRUXPVVAK-RBBKRZOGSA-N 2 1 400.611 3.803 20 0 HHADMP COc1ccc([C@H](CNC(=O)C[N@H+](C)CCc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000519227416 1008633291 /nfs/dbraw/zinc/63/32/91/1008633291.db2.gz NBFFEZAFBCGMPC-DEOSSOPVSA-N 2 1 409.574 3.513 20 0 HHADMP COc1ccc([C@H](CNC(=O)C[N@@H+](C)CCc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000519227416 1008633304 /nfs/dbraw/zinc/63/33/04/1008633304.db2.gz NBFFEZAFBCGMPC-DEOSSOPVSA-N 2 1 409.574 3.513 20 0 HHADMP CCN(C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000545562086 1008658580 /nfs/dbraw/zinc/65/85/80/1008658580.db2.gz TUIXMPWDEPZKIM-RUZDIDTESA-N 2 1 420.601 3.565 20 0 HHADMP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000549132532 1008702653 /nfs/dbraw/zinc/70/26/53/1008702653.db2.gz XLRWGDWPARHLBZ-CQSZACIVSA-N 2 1 406.983 3.587 20 0 HHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c2ccccc21 ZINC000549142750 1008710886 /nfs/dbraw/zinc/71/08/86/1008710886.db2.gz NZXSLGLNOQQYPL-RPBOFIJWSA-N 2 1 421.585 3.705 20 0 HHADMP C[N@@H+]1[C@@H]2CC[C@H]1CC([C@@H](NC(=O)NC[C@@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1)C2 ZINC000549231555 1008801610 /nfs/dbraw/zinc/80/16/10/1008801610.db2.gz JGSUFJNDAADWSM-PHASAHSISA-N 2 1 419.013 3.895 20 0 HHADMP C[NH+]1[C@@H]2CC[C@H]1CC([C@@H](NC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1)C2 ZINC000549231555 1008801625 /nfs/dbraw/zinc/80/16/25/1008801625.db2.gz JGSUFJNDAADWSM-PHASAHSISA-N 2 1 419.013 3.895 20 0 HHADMP C[NH+]1[C@@H]2CC[C@H]1CC([C@@H](NC(=O)NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1)C2 ZINC000549231555 1008801636 /nfs/dbraw/zinc/80/16/36/1008801636.db2.gz JGSUFJNDAADWSM-PHASAHSISA-N 2 1 419.013 3.895 20 0 HHADMP Cc1ccc([C@H]2CC[N@@H+](CC(=O)Nc3cccc(C[NH+]4CCSCC4)c3)C2)cc1 ZINC000543248887 1008816685 /nfs/dbraw/zinc/81/66/85/1008816685.db2.gz GXPJYTNRPUDUOV-QFIPXVFZSA-N 2 1 409.599 3.972 20 0 HHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)C1 ZINC000519507033 1008878421 /nfs/dbraw/zinc/87/84/21/1008878421.db2.gz JXMLGSWVAWXBLI-QGZVFWFLSA-N 2 1 410.553 3.549 20 0 HHADMP COc1cccc2c1CCC[C@@H]2[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000519862930 1009040362 /nfs/dbraw/zinc/04/03/62/1009040362.db2.gz JEAAZKMLSRZTJV-OFNKIYASSA-N 2 1 407.558 3.560 20 0 HHADMP C[C@H]([NH2+]C[C@H](O)COc1ccccc1C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543458603 1009041587 /nfs/dbraw/zinc/04/15/87/1009041587.db2.gz GYADJAKHYMLBEG-JZXOWHBKSA-N 2 1 400.485 3.688 20 0 HHADMP C[C@@H]([NH2+]CCc1nc2sc3c(c2c(N)n1)CCCC3)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543461622 1009048248 /nfs/dbraw/zinc/04/82/48/1009048248.db2.gz OKPCECKVSASATC-CVEARBPZSA-N 2 1 413.635 3.937 20 0 HHADMP CN1CC[NH+](CC2(C)CC[NH+]([C@@H](C(=O)Nc3ccccc3)c3ccccc3)CC2)CC1 ZINC000543523562 1009115219 /nfs/dbraw/zinc/11/52/19/1009115219.db2.gz GTZKJXQMMMFKRN-XMMPIXPASA-N 2 1 420.601 3.716 20 0 HHADMP CC[C@@H]1CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000546143390 1009173506 /nfs/dbraw/zinc/17/35/06/1009173506.db2.gz OLMAWVQZNQNUCQ-HSZRJFAPSA-N 2 1 421.589 3.604 20 0 HHADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549582915 1009209377 /nfs/dbraw/zinc/20/93/77/1009209377.db2.gz CLZZXDCRORGMSJ-QFIPXVFZSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000543628039 1009233935 /nfs/dbraw/zinc/23/39/35/1009233935.db2.gz JSAHCHDPGSNJEX-RZUBCFFCSA-N 2 1 400.588 3.739 20 0 HHADMP C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000520109289 1009266206 /nfs/dbraw/zinc/26/62/06/1009266206.db2.gz HIUMIBHVOJBOEL-NRFANRHFSA-N 2 1 415.528 3.767 20 0 HHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)C1 ZINC000543775791 1009345052 /nfs/dbraw/zinc/34/50/52/1009345052.db2.gz UQUWQCOJDRTOCN-OXQOHEQNSA-N 2 1 419.338 3.932 20 0 HHADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)CC3 ZINC000546603921 1009625241 /nfs/dbraw/zinc/62/52/41/1009625241.db2.gz PGORSYSKRWCZKZ-HXUWFJFHSA-N 2 1 405.542 3.656 20 0 HHADMP CCOc1ccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)c2ncccc12 ZINC000546648090 1009652769 /nfs/dbraw/zinc/65/27/69/1009652769.db2.gz CUGVSOFPKWJOIF-GOSISDBHSA-N 2 1 413.566 3.513 20 0 HHADMP C[C@@H](CNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[N@H+](C)C1CC1 ZINC000544113888 1009722482 /nfs/dbraw/zinc/72/24/82/1009722482.db2.gz FYGSYPJKFXWDLO-AWEZNQCLSA-N 2 1 413.393 3.740 20 0 HHADMP C[C@@H](CNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[N@@H+](C)C1CC1 ZINC000544113888 1009722492 /nfs/dbraw/zinc/72/24/92/1009722492.db2.gz FYGSYPJKFXWDLO-AWEZNQCLSA-N 2 1 413.393 3.740 20 0 HHADMP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000520733350 1009801365 /nfs/dbraw/zinc/80/13/65/1009801365.db2.gz AQXPSTIFUNQRCA-GHTZIAJQSA-N 2 1 409.496 3.574 20 0 HHADMP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000520733350 1009801385 /nfs/dbraw/zinc/80/13/85/1009801385.db2.gz AQXPSTIFUNQRCA-GHTZIAJQSA-N 2 1 409.496 3.574 20 0 HHADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000520733350 1009801396 /nfs/dbraw/zinc/80/13/96/1009801396.db2.gz AQXPSTIFUNQRCA-GHTZIAJQSA-N 2 1 409.496 3.574 20 0 HHADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCN(C(=O)c3ccc(Br)cc3C)CC2)C1 ZINC000546873443 1009835825 /nfs/dbraw/zinc/83/58/25/1009835825.db2.gz XFKQHXADEPOKGN-KRWDZBQOSA-N 2 1 422.411 3.684 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2cccc(OC(C)C)c2)CC1 ZINC000550354641 1009883316 /nfs/dbraw/zinc/88/33/16/1009883316.db2.gz VQHRTUPRUFHVLX-UHFFFAOYSA-N 2 1 423.601 3.995 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)Cc2cccc(OC(C)C)c2)CC1 ZINC000550354641 1009883333 /nfs/dbraw/zinc/88/33/33/1009883333.db2.gz VQHRTUPRUFHVLX-UHFFFAOYSA-N 2 1 423.601 3.995 20 0 HHADMP C[C@H](CCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000544332675 1009956346 /nfs/dbraw/zinc/95/63/46/1009956346.db2.gz VOZDRYUSBPYBRT-JRFVFWCSSA-N 2 1 412.622 3.947 20 0 HHADMP CCOc1ccccc1[C@H](CC)NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544421716 1010041099 /nfs/dbraw/zinc/04/10/99/1010041099.db2.gz OXNNIRRWOYYLHX-DXIQSLLYSA-N 2 1 401.595 3.895 20 0 HHADMP CCOc1ccccc1[C@H](CC)NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544421716 1010041111 /nfs/dbraw/zinc/04/11/11/1010041111.db2.gz OXNNIRRWOYYLHX-DXIQSLLYSA-N 2 1 401.595 3.895 20 0 HHADMP CN1CC[NH+](CC2(C)CCN(c3cc[nH+]c4ccc(Br)cc43)CC2)CC1 ZINC000544447796 1010070461 /nfs/dbraw/zinc/07/04/61/1010070461.db2.gz FCTRRVGTUIREBL-UHFFFAOYSA-N 2 1 417.395 3.851 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)C1 ZINC000521067540 1010086011 /nfs/dbraw/zinc/08/60/11/1010086011.db2.gz YBKORMXYKOJIQN-KDURUIRLSA-N 2 1 424.580 3.796 20 0 HHADMP CC[N@@H+](Cc1ccc(-c2nc(-c3ccnc(OCC[NH+](C)C)c3)no2)cc1)C(C)C ZINC000547194903 1010138545 /nfs/dbraw/zinc/13/85/45/1010138545.db2.gz MLCZCCUONVUAKR-UHFFFAOYSA-N 2 1 409.534 3.969 20 0 HHADMP C[C@@H](c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000521144536 1010170354 /nfs/dbraw/zinc/17/03/54/1010170354.db2.gz PSAVZSQBHZEXIP-REWPJTCUSA-N 2 1 407.558 3.931 20 0 HHADMP C[C@@H](c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000521144536 1010170387 /nfs/dbraw/zinc/17/03/87/1010170387.db2.gz PSAVZSQBHZEXIP-REWPJTCUSA-N 2 1 407.558 3.931 20 0 HHADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)C[C@H]1c1ccccc1 ZINC000551005090 1010311251 /nfs/dbraw/zinc/31/12/51/1010311251.db2.gz ISLYLERGPKRNIN-YADHBBJMSA-N 2 1 408.542 3.889 20 0 HHADMP C[N@H+]1CC[C@@H]([NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)C[C@H]1c1ccccc1 ZINC000551005090 1010311264 /nfs/dbraw/zinc/31/12/64/1010311264.db2.gz ISLYLERGPKRNIN-YADHBBJMSA-N 2 1 408.542 3.889 20 0 HHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000551020855 1010322605 /nfs/dbraw/zinc/32/26/05/1010322605.db2.gz RODQYTCUFXRMFI-GOSISDBHSA-N 2 1 401.576 3.923 20 0 HHADMP COc1ccccc1CC(=O)N1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000551029610 1010326511 /nfs/dbraw/zinc/32/65/11/1010326511.db2.gz LTFMXIHKENIOPK-ZEQRLZLVSA-N 2 1 421.585 3.654 20 0 HHADMP COc1ccccc1CC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000551029610 1010326524 /nfs/dbraw/zinc/32/65/24/1010326524.db2.gz LTFMXIHKENIOPK-ZEQRLZLVSA-N 2 1 421.585 3.654 20 0 HHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547505544 1010332366 /nfs/dbraw/zinc/33/23/66/1010332366.db2.gz TYFCKQDKIUTYAK-OFVILXPXSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CCN(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547511429 1010334306 /nfs/dbraw/zinc/33/43/06/1010334306.db2.gz FUJKBGHDXLUKQY-MDNUFGMLSA-N 2 1 412.647 3.537 20 0 HHADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000544832027 1010422330 /nfs/dbraw/zinc/42/23/30/1010422330.db2.gz IFLNUFUDFYDFSL-QHCPKHFHSA-N 2 1 400.998 3.882 20 0 HHADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CCN(C(=O)c3ccc(Br)cc3C)CC2)C1 ZINC000544865985 1010447319 /nfs/dbraw/zinc/44/73/19/1010447319.db2.gz VZUDOZWXJSIKSX-QGZVFWFLSA-N 2 1 422.411 3.684 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000521584495 1010481698 /nfs/dbraw/zinc/48/16/98/1010481698.db2.gz NZIWWLOLSQRAGY-CKUXNOBLSA-N 2 1 409.549 3.989 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000521584495 1010481710 /nfs/dbraw/zinc/48/17/10/1010481710.db2.gz NZIWWLOLSQRAGY-CKUXNOBLSA-N 2 1 409.549 3.989 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000521584495 1010481720 /nfs/dbraw/zinc/48/17/20/1010481720.db2.gz NZIWWLOLSQRAGY-CKUXNOBLSA-N 2 1 409.549 3.989 20 0 HHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000521624089 1010510299 /nfs/dbraw/zinc/51/02/99/1010510299.db2.gz VHAQWPAQHLCQSX-LJQANCHMSA-N 2 1 407.002 3.582 20 0 HHADMP COc1cc(CN2CC[C@H]([NH2+][C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)cc(OC)c1 ZINC000548154457 1010546691 /nfs/dbraw/zinc/54/66/91/1010546691.db2.gz FNBPUSWBAMQLKY-QDSKXPNFSA-N 2 1 423.601 3.778 20 0 HHADMP O=C(N1CC[C@H]([NH+]2CCCCC2)C1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000521690377 1010554139 /nfs/dbraw/zinc/55/41/39/1010554139.db2.gz NIVGVCRJKYOVBJ-FPOVZHCZSA-N 2 1 409.496 3.528 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)CC1 ZINC000548333733 1010598252 /nfs/dbraw/zinc/59/82/52/1010598252.db2.gz OMSUXBRBCOKNJM-XMMPIXPASA-N 2 1 400.611 3.803 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000548333733 1010598263 /nfs/dbraw/zinc/59/82/63/1010598263.db2.gz OMSUXBRBCOKNJM-XMMPIXPASA-N 2 1 400.611 3.803 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000548333733 1010598275 /nfs/dbraw/zinc/59/82/75/1010598275.db2.gz OMSUXBRBCOKNJM-XMMPIXPASA-N 2 1 400.611 3.803 20 0 HHADMP CCC[N@H+](Cc1ccc(C(=O)OC)cc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000548423655 1010622010 /nfs/dbraw/zinc/62/20/10/1010622010.db2.gz KAKNGCJLDZNPIY-UHFFFAOYSA-N 2 1 414.525 3.900 20 0 HHADMP CCC[N@@H+](Cc1ccc(C(=O)OC)cc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000548423655 1010622020 /nfs/dbraw/zinc/62/20/20/1010622020.db2.gz KAKNGCJLDZNPIY-UHFFFAOYSA-N 2 1 414.525 3.900 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548482137 1010640800 /nfs/dbraw/zinc/64/08/00/1010640800.db2.gz XNJIGGCYZHDQJZ-URXFXBBRSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@H](NCc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548482137 1010640806 /nfs/dbraw/zinc/64/08/06/1010640806.db2.gz XNJIGGCYZHDQJZ-URXFXBBRSA-N 2 1 407.602 3.644 20 0 HHADMP C[C@H](NCc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548482137 1010640812 /nfs/dbraw/zinc/64/08/12/1010640812.db2.gz XNJIGGCYZHDQJZ-URXFXBBRSA-N 2 1 407.602 3.644 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1coc(C2CCCCC2)n1 ZINC000548604139 1010678437 /nfs/dbraw/zinc/67/84/37/1010678437.db2.gz PZIZDNSAIFJIPY-UHFFFAOYSA-N 2 1 416.610 3.991 20 0 HHADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000522048221 1010777699 /nfs/dbraw/zinc/77/76/99/1010777699.db2.gz IHLILJFRMAMJKO-FULJZNEXSA-N 2 1 418.585 3.756 20 0 HHADMP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000522048221 1010777705 /nfs/dbraw/zinc/77/77/05/1010777705.db2.gz IHLILJFRMAMJKO-FULJZNEXSA-N 2 1 418.585 3.756 20 0 HHADMP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000522048221 1010777712 /nfs/dbraw/zinc/77/77/12/1010777712.db2.gz IHLILJFRMAMJKO-FULJZNEXSA-N 2 1 418.585 3.756 20 0 HHADMP CCCC[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000522173824 1010847122 /nfs/dbraw/zinc/84/71/22/1010847122.db2.gz KHSCCBSWXDVEDS-HXUWFJFHSA-N 2 1 400.611 3.982 20 0 HHADMP CCN(C(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000522176733 1010848297 /nfs/dbraw/zinc/84/82/97/1010848297.db2.gz KPYFFFIMNDRRFW-SDUSCBPUSA-N 2 1 420.601 3.978 20 0 HHADMP CCN(C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000522176733 1010848304 /nfs/dbraw/zinc/84/83/04/1010848304.db2.gz KPYFFFIMNDRRFW-SDUSCBPUSA-N 2 1 420.601 3.978 20 0 HHADMP CCN(C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000522176733 1010848308 /nfs/dbraw/zinc/84/83/08/1010848308.db2.gz KPYFFFIMNDRRFW-SDUSCBPUSA-N 2 1 420.601 3.978 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)C1 ZINC000522323796 1010930325 /nfs/dbraw/zinc/93/03/25/1010930325.db2.gz CPQCBBXNEBWNIQ-VIZSFHNOSA-N 2 1 400.611 3.694 20 0 HHADMP CCCN(C(=O)NC[C@@H]1CC[NH+](CCC)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000522433685 1011009203 /nfs/dbraw/zinc/00/92/03/1011009203.db2.gz CRHMHDWCOHYXGD-XZOQPEGZSA-N 2 1 400.611 3.805 20 0 HHADMP CCCN(C(=O)NC[C@@H]1CC[N@H+](CCC)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000522433685 1011009211 /nfs/dbraw/zinc/00/92/11/1011009211.db2.gz CRHMHDWCOHYXGD-XZOQPEGZSA-N 2 1 400.611 3.805 20 0 HHADMP CCCN(C(=O)NC[C@@H]1CC[N@@H+](CCC)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000522433685 1011009216 /nfs/dbraw/zinc/00/92/16/1011009216.db2.gz CRHMHDWCOHYXGD-XZOQPEGZSA-N 2 1 400.611 3.805 20 0 HHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H](c3ccccc3)[NH+]3CCSCC3)C2)CC1 ZINC000522703210 1011167352 /nfs/dbraw/zinc/16/73/52/1011167352.db2.gz VCPBQJKMYHDQNZ-JTHBVZDNSA-N 2 1 415.647 3.747 20 0 HHADMP CN(C)c1ncc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000522756567 1011197690 /nfs/dbraw/zinc/19/76/90/1011197690.db2.gz ZZSGOUXQAMEZPP-IEBWSBKVSA-N 2 1 407.484 3.734 20 0 HHADMP CN(C)c1ncc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000522756567 1011197694 /nfs/dbraw/zinc/19/76/94/1011197694.db2.gz ZZSGOUXQAMEZPP-IEBWSBKVSA-N 2 1 407.484 3.734 20 0 HHADMP COc1ccc([C@H]([NH2+]CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)C2CC2)cc1 ZINC000540590387 1011246594 /nfs/dbraw/zinc/24/65/94/1011246594.db2.gz KQZBHAQUWSZADM-AREMUKBSSA-N 2 1 421.585 3.779 20 0 HHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](C)c3cc(C)cc(C)c3)CC2)cc1 ZINC000540592799 1011250072 /nfs/dbraw/zinc/25/00/72/1011250072.db2.gz UHPZBEUSBXUJTH-NRFANRHFSA-N 2 1 409.574 3.697 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](C)c3cc(C)cc(C)c3)CC2)cc1 ZINC000540592799 1011250089 /nfs/dbraw/zinc/25/00/89/1011250089.db2.gz UHPZBEUSBXUJTH-NRFANRHFSA-N 2 1 409.574 3.697 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000522828264 1011263340 /nfs/dbraw/zinc/26/33/40/1011263340.db2.gz WFWRKTUBWOLURI-BWKNWUBXSA-N 2 1 420.601 3.842 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000522828264 1011263356 /nfs/dbraw/zinc/26/33/56/1011263356.db2.gz WFWRKTUBWOLURI-BWKNWUBXSA-N 2 1 420.601 3.842 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000522828264 1011263368 /nfs/dbraw/zinc/26/33/68/1011263368.db2.gz WFWRKTUBWOLURI-BWKNWUBXSA-N 2 1 420.601 3.842 20 0 HHADMP COCCc1nc(C)c([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)s1 ZINC000536157358 1011282538 /nfs/dbraw/zinc/28/25/38/1011282538.db2.gz GPBOUYSGNBCKSC-RXVVDRJESA-N 2 1 416.635 3.670 20 0 HHADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000540643449 1011294036 /nfs/dbraw/zinc/29/40/36/1011294036.db2.gz MNXNXSLXZJPPOZ-OAQYLSRUSA-N 2 1 424.593 3.592 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540718731 1011369842 /nfs/dbraw/zinc/36/98/42/1011369842.db2.gz WVJOUNWDUFVJQS-IVAOSVALSA-N 2 1 422.976 3.929 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540718731 1011369848 /nfs/dbraw/zinc/36/98/48/1011369848.db2.gz WVJOUNWDUFVJQS-IVAOSVALSA-N 2 1 422.976 3.929 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540718731 1011369861 /nfs/dbraw/zinc/36/98/61/1011369861.db2.gz WVJOUNWDUFVJQS-IVAOSVALSA-N 2 1 422.976 3.929 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540718731 1011369874 /nfs/dbraw/zinc/36/98/74/1011369874.db2.gz WVJOUNWDUFVJQS-IVAOSVALSA-N 2 1 422.976 3.929 20 0 HHADMP COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c(OC)c1 ZINC000541026185 1011661572 /nfs/dbraw/zinc/66/15/72/1011661572.db2.gz TXAKSYCKXFRNBR-HZPDHXFCSA-N 2 1 408.502 3.876 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCCOc2c(C)cccc2C)cc1 ZINC000541027603 1011662787 /nfs/dbraw/zinc/66/27/87/1011662787.db2.gz GINMGRABNDOPSO-IBGZPJMESA-N 2 1 406.530 3.643 20 0 HHADMP CC(C)[N@@H+](Cc1ccc(NC(=O)N[C@H](C)CC[NH+](C)C)cc1)C[C@H]1CCCCO1 ZINC000541031927 1011666062 /nfs/dbraw/zinc/66/60/62/1011666062.db2.gz JORBYQKNSJTHHP-DENIHFKCSA-N 2 1 404.599 3.928 20 0 HHADMP CC(C)[N@H+](Cc1ccc(NC(=O)NC[C@@H]2CCC[NH+](C)C2)cc1)C[C@H]1CCCCO1 ZINC000541033233 1011667096 /nfs/dbraw/zinc/66/70/96/1011667096.db2.gz VIIDVUCEDHDRDM-JTHBVZDNSA-N 2 1 416.610 3.929 20 0 HHADMP CC(C)[NH+](Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1)C[C@H]1CCCCO1 ZINC000541033233 1011667105 /nfs/dbraw/zinc/66/71/05/1011667105.db2.gz VIIDVUCEDHDRDM-JTHBVZDNSA-N 2 1 416.610 3.929 20 0 HHADMP CC(C)[NH+](Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1)C[C@H]1CCCCO1 ZINC000541033233 1011667109 /nfs/dbraw/zinc/66/71/09/1011667109.db2.gz VIIDVUCEDHDRDM-JTHBVZDNSA-N 2 1 416.610 3.929 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000523219408 1011707500 /nfs/dbraw/zinc/70/75/00/1011707500.db2.gz XIWXWZZKPFIHLN-BJKOFHAPSA-N 2 1 423.605 3.689 20 0 HHADMP C[C@@H]1CCC[C@](CNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)([NH+](C)C)C1 ZINC000523301039 1011780654 /nfs/dbraw/zinc/78/06/54/1011780654.db2.gz KNAPGNCUITTWKZ-KNKQGSTJSA-N 2 1 406.640 3.770 20 0 HHADMP CC(C)(CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000523302487 1011781703 /nfs/dbraw/zinc/78/17/03/1011781703.db2.gz OMBUMFNGEBPJFM-NRFANRHFSA-N 2 1 411.512 3.822 20 0 HHADMP COc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(-c2ccccc2)cc1OC ZINC000536664783 1011816354 /nfs/dbraw/zinc/81/63/54/1011816354.db2.gz LCBMGOAYVCWECC-HSZRJFAPSA-N 2 1 423.601 3.971 20 0 HHADMP C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000541207006 1011877616 /nfs/dbraw/zinc/87/76/16/1011877616.db2.gz JQGQOJFUHIZPIL-KRWDZBQOSA-N 2 1 400.567 3.606 20 0 HHADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000541231784 1011907765 /nfs/dbraw/zinc/90/77/65/1011907765.db2.gz VKAAYQGZPKTYEG-MRXNPFEDSA-N 2 1 415.500 3.902 20 0 HHADMP COC(=O)COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000541236582 1011913714 /nfs/dbraw/zinc/91/37/14/1011913714.db2.gz RINXAIIBXPUZPT-LADGPHEKSA-N 2 1 408.542 3.725 20 0 HHADMP COC(=O)COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000541236582 1011913730 /nfs/dbraw/zinc/91/37/30/1011913730.db2.gz RINXAIIBXPUZPT-LADGPHEKSA-N 2 1 408.542 3.725 20 0 HHADMP COC(=O)COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000541236582 1011913739 /nfs/dbraw/zinc/91/37/39/1011913739.db2.gz RINXAIIBXPUZPT-LADGPHEKSA-N 2 1 408.542 3.725 20 0 HHADMP COC(=O)COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000541236582 1011913747 /nfs/dbraw/zinc/91/37/47/1011913747.db2.gz RINXAIIBXPUZPT-LADGPHEKSA-N 2 1 408.542 3.725 20 0 HHADMP Cc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000523446177 1011941418 /nfs/dbraw/zinc/94/14/18/1011941418.db2.gz ONYVQZYNAPZHPA-OAQYLSRUSA-N 2 1 410.562 3.722 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000536770344 1011972974 /nfs/dbraw/zinc/97/29/74/1011972974.db2.gz CZYIKMOBYJKCIO-IFMALSPDSA-N 2 1 413.610 3.594 20 0 HHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000536770384 1011973810 /nfs/dbraw/zinc/97/38/10/1011973810.db2.gz CZYIKMOBYJKCIO-RBBKRZOGSA-N 2 1 413.610 3.594 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(c3ccc4c(c3)OCCO4)CCCC2)[C@@H](C)C1 ZINC000536806282 1012028447 /nfs/dbraw/zinc/02/84/47/1012028447.db2.gz KYNDYVPLQXVCKL-UNMCSNQZSA-N 2 1 416.606 3.996 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1 ZINC000523524074 1012050352 /nfs/dbraw/zinc/05/03/52/1012050352.db2.gz CEVJHXOYOVQGHM-NRFANRHFSA-N 2 1 408.590 3.945 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H](NCC4([NH+]5CCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000552047563 1012066486 /nfs/dbraw/zinc/06/64/86/1012066486.db2.gz QTRMYLSACQRTPX-ISJGIBHGSA-N 2 1 411.634 3.912 20 0 HHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CC4(N5CCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000552047563 1012066501 /nfs/dbraw/zinc/06/65/01/1012066501.db2.gz QTRMYLSACQRTPX-ISJGIBHGSA-N 2 1 411.634 3.912 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CC4(N5CCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000552047563 1012066510 /nfs/dbraw/zinc/06/65/10/1012066510.db2.gz QTRMYLSACQRTPX-ISJGIBHGSA-N 2 1 411.634 3.912 20 0 HHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]C4CCN(c5cccnn5)CC4)[C@@H]3C2)cc1 ZINC000552057389 1012074208 /nfs/dbraw/zinc/07/42/08/1012074208.db2.gz RQCAQRCPTFALRR-QTJGBDASSA-N 2 1 405.590 3.726 20 0 HHADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C[C@H](C)O1 ZINC000536863113 1012099460 /nfs/dbraw/zinc/09/94/60/1012099460.db2.gz MEBRRRUTZZIKRM-HDICACEKSA-N 2 1 411.993 3.923 20 0 HHADMP O=C1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000536875816 1012117595 /nfs/dbraw/zinc/11/75/95/1012117595.db2.gz KNNOHFCXFBDRSA-ISJGIBHGSA-N 2 1 421.560 3.579 20 0 HHADMP O=C1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000536875813 1012118142 /nfs/dbraw/zinc/11/81/42/1012118142.db2.gz KNNOHFCXFBDRSA-GVAUOCQISA-N 2 1 421.560 3.579 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)[C@@H](C)C1 ZINC000536876584 1012118887 /nfs/dbraw/zinc/11/88/87/1012118887.db2.gz OJVMHXZGABHPLC-NZQKXSOJSA-N 2 1 401.595 3.539 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(OC)c(OC2CCCC2)c1 ZINC000541424828 1012173558 /nfs/dbraw/zinc/17/35/58/1012173558.db2.gz FJKKMNBFNFWFAS-HXUWFJFHSA-N 2 1 417.594 3.505 20 0 HHADMP C[C@H](C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)[N@@H+]1CCc2ccccc2C1 ZINC000552199848 1012212582 /nfs/dbraw/zinc/21/25/82/1012212582.db2.gz KZEFYTMPNVCLLY-JOCHJYFZSA-N 2 1 417.597 3.948 20 0 HHADMP C[C@H](C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)[N@H+]1CCc2ccccc2C1 ZINC000552199848 1012212590 /nfs/dbraw/zinc/21/25/90/1012212590.db2.gz KZEFYTMPNVCLLY-JOCHJYFZSA-N 2 1 417.597 3.948 20 0 HHADMP C[NH+]1CCC(CNC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000541478646 1012249155 /nfs/dbraw/zinc/24/91/55/1012249155.db2.gz XKFUNWBKNGSDGN-UHFFFAOYSA-N 2 1 413.393 3.599 20 0 HHADMP C[C@@H](CCNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000541520641 1012301832 /nfs/dbraw/zinc/30/18/32/1012301832.db2.gz JVNZIPGYKBWLRN-QFIPXVFZSA-N 2 1 400.611 3.601 20 0 HHADMP COC(=O)c1ccc([C@H](C)[N@@H+](C)C2CCN(Cc3ncc(C)c(OC)c3C)CC2)o1 ZINC000537017106 1012318688 /nfs/dbraw/zinc/31/86/88/1012318688.db2.gz JQFFCQPHEYJBCP-KRWDZBQOSA-N 2 1 415.534 3.744 20 0 HHADMP COC(=O)c1ccc([C@H](C)[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)o1 ZINC000537017106 1012318698 /nfs/dbraw/zinc/31/86/98/1012318698.db2.gz JQFFCQPHEYJBCP-KRWDZBQOSA-N 2 1 415.534 3.744 20 0 HHADMP COC(=O)c1ccc([C@H](C)[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)o1 ZINC000537017106 1012318713 /nfs/dbraw/zinc/31/87/13/1012318713.db2.gz JQFFCQPHEYJBCP-KRWDZBQOSA-N 2 1 415.534 3.744 20 0 HHADMP CC1CCC([NH+]2CCN(C(=O)c3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)CC2)CC1 ZINC000523720570 1012331165 /nfs/dbraw/zinc/33/11/65/1012331165.db2.gz MMYRGHZUFZCMLH-GDWXLSOHSA-N 2 1 413.606 3.632 20 0 HHADMP CC1CCC([NH+]2CCN(C(=O)c3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)CC2)CC1 ZINC000523720570 1012331186 /nfs/dbraw/zinc/33/11/86/1012331186.db2.gz MMYRGHZUFZCMLH-GDWXLSOHSA-N 2 1 413.606 3.632 20 0 HHADMP Cc1nn(C)c2ncc(C[NH2+]CCc3ccc(OCC[N@@H+]4C[C@H](C)[C@H](C)C4)cc3)cc12 ZINC000537024016 1012331285 /nfs/dbraw/zinc/33/12/85/1012331285.db2.gz UMZSGVBGWZBCSF-KDURUIRLSA-N 2 1 421.589 3.576 20 0 HHADMP Fc1ccc([C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c2ccccn2)cc1 ZINC000541545295 1012331520 /nfs/dbraw/zinc/33/15/20/1012331520.db2.gz GJHYMVUNLVWDDM-DEOSSOPVSA-N 2 1 405.521 3.507 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)[C@H](C)C1 ZINC000523732648 1012350983 /nfs/dbraw/zinc/35/09/83/1012350983.db2.gz PPJVELHZMQLFHY-OXQOHEQNSA-N 2 1 423.395 3.952 20 0 HHADMP CC[C@@H]([NH2+][C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C)cc1 ZINC000537057630 1012389300 /nfs/dbraw/zinc/38/93/00/1012389300.db2.gz KXKWLHLEYFRNIE-HYBUGGRVSA-N 2 1 409.574 3.573 20 0 HHADMP COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1OC ZINC000537167341 1012568745 /nfs/dbraw/zinc/56/87/45/1012568745.db2.gz FAGUMOTXTVFIJY-CVEARBPZSA-N 2 1 408.502 3.876 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000537166892 1012569996 /nfs/dbraw/zinc/56/99/96/1012569996.db2.gz HZNFFRHYKYTMAP-CVEARBPZSA-N 2 1 406.486 3.630 20 0 HHADMP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@H](c3ccccc3)c3cncnc3)CC2)cc1 ZINC000541746651 1012604894 /nfs/dbraw/zinc/60/48/94/1012604894.db2.gz KRVMLWLDHZJSAH-AREMUKBSSA-N 2 1 415.585 3.754 20 0 HHADMP C[NH+]1CCC2(CC1)C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1O2 ZINC000537192766 1012606265 /nfs/dbraw/zinc/60/62/65/1012606265.db2.gz YOXDUJWFQQOXOE-KRWDZBQOSA-N 2 1 419.447 3.620 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc(Br)c2Cl)CC1 ZINC000541864358 1012743552 /nfs/dbraw/zinc/74/35/52/1012743552.db2.gz XVFIZAWKCALYGN-UHFFFAOYSA-N 2 1 409.715 3.502 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(NC(=O)NC2CC2)cc1 ZINC000541915891 1012774037 /nfs/dbraw/zinc/77/40/37/1012774037.db2.gz FCPHYROYVWQFFE-MHECFPHRSA-N 2 1 422.573 3.778 20 0 HHADMP O=C1Nc2ccccc2C12CCC([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)CC2 ZINC000541917860 1012775850 /nfs/dbraw/zinc/77/58/50/1012775850.db2.gz GITFKLJQZGWEJI-HCYSDIRSSA-N 2 1 419.569 3.566 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(N3CCCC3=O)c2)cc1 ZINC000541956212 1012819187 /nfs/dbraw/zinc/81/91/87/1012819187.db2.gz VXPPNLFEMFORQV-QGZVFWFLSA-N 2 1 417.513 3.597 20 0 HHADMP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C[C@@H](C)C1 ZINC000487816607 1072063558 /nfs/dbraw/zinc/06/35/58/1072063558.db2.gz DMKXIGPEUFYZCC-NPPFBWRTSA-N 2 1 419.013 3.676 20 0 HHADMP O=C(C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000615098575 1072144759 /nfs/dbraw/zinc/14/47/59/1072144759.db2.gz FCPGOCFMDCMSDQ-XMMPIXPASA-N 2 1 409.549 3.745 20 0 HHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000586855772 1072477199 /nfs/dbraw/zinc/47/71/99/1072477199.db2.gz IKLGYNXASNRKQX-RBBKRZOGSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000586855772 1072477200 /nfs/dbraw/zinc/47/72/00/1072477200.db2.gz IKLGYNXASNRKQX-RBBKRZOGSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000586855772 1072477201 /nfs/dbraw/zinc/47/72/01/1072477201.db2.gz IKLGYNXASNRKQX-RBBKRZOGSA-N 2 1 400.611 3.708 20 0 HHADMP Cc1cccc(COC[C@]23CCCO[C@@H]2CC[N@H+](C2CCC([NH+](C)C)CC2)C3)n1 ZINC001168323445 1072504614 /nfs/dbraw/zinc/50/46/14/1072504614.db2.gz ZMZZMGOOKIZCNK-SNDHGLFQSA-N 2 1 401.595 3.651 20 0 HHADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000537705062 1072618623 /nfs/dbraw/zinc/61/86/23/1072618623.db2.gz CHMOTNPYRQSHPV-RLLQIKCJSA-N 2 1 420.395 3.529 20 0 HHADMP CC(C)(C)OC(=O)N1CCC(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000760670678 1072696749 /nfs/dbraw/zinc/69/67/49/1072696749.db2.gz QVNUDUGVFSMKRI-JOCHJYFZSA-N 2 1 401.595 3.788 20 0 HHADMP C[C@H]1C[C@H](NC(=O)[C@@H]2C[NH+](C(C)(C)C)C[C@H]2C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000645768852 1072731629 /nfs/dbraw/zinc/73/16/29/1072731629.db2.gz QGKXFAPTXSLSSM-GDAAHCPNSA-N 2 1 411.512 3.674 20 0 HHADMP C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C[NH+]1Cc1ccccc1 ZINC000645768852 1072731638 /nfs/dbraw/zinc/73/16/38/1072731638.db2.gz QGKXFAPTXSLSSM-GDAAHCPNSA-N 2 1 411.512 3.674 20 0 HHADMP C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C[NH+]1Cc1ccccc1 ZINC000645768852 1072731646 /nfs/dbraw/zinc/73/16/46/1072731646.db2.gz QGKXFAPTXSLSSM-GDAAHCPNSA-N 2 1 411.512 3.674 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@H]2CCc3ccc(Cl)cc32)c1 ZINC000479122173 1072758998 /nfs/dbraw/zinc/75/89/98/1072758998.db2.gz RDLSADGSWVVSSF-QFIPXVFZSA-N 2 1 413.949 3.778 20 0 HHADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCC(CC[NH+]3CCCC[C@H]3C)CC2)C[C@H](C)O1 ZINC000479409553 1072831765 /nfs/dbraw/zinc/83/17/65/1072831765.db2.gz FTBWPSYGCXANHZ-NJYVYQBISA-N 2 1 422.658 3.560 20 0 HHADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCC(CC[NH+]3CCCC[C@H]3C)CC2)C[C@H](C)O1 ZINC000479409553 1072831774 /nfs/dbraw/zinc/83/17/74/1072831774.db2.gz FTBWPSYGCXANHZ-NJYVYQBISA-N 2 1 422.658 3.560 20 0 HHADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)C[C@H](C)O1 ZINC000479409553 1072831786 /nfs/dbraw/zinc/83/17/86/1072831786.db2.gz FTBWPSYGCXANHZ-NJYVYQBISA-N 2 1 422.658 3.560 20 0 HHADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)C[C@H](C)O1 ZINC000479409553 1072831799 /nfs/dbraw/zinc/83/17/99/1072831799.db2.gz FTBWPSYGCXANHZ-NJYVYQBISA-N 2 1 422.658 3.560 20 0 HHADMP CN(C(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001126870379 1072858312 /nfs/dbraw/zinc/85/83/12/1072858312.db2.gz RUADQYDYWCAYCI-LXGWOEDASA-N 2 1 421.585 3.763 20 0 HHADMP C[C@@H](NC(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc2ccccc2c1 ZINC000588711366 1073155915 /nfs/dbraw/zinc/15/59/15/1073155915.db2.gz ZOCARQRNPHLJRL-QHAWAJNXSA-N 2 1 423.601 3.838 20 0 HHADMP C[C@@H](NC(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc2ccccc2c1 ZINC000588711366 1073155917 /nfs/dbraw/zinc/15/59/17/1073155917.db2.gz ZOCARQRNPHLJRL-QHAWAJNXSA-N 2 1 423.601 3.838 20 0 HHADMP O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000555107079 1073159845 /nfs/dbraw/zinc/15/98/45/1073159845.db2.gz CPCSLVNSONTJDJ-QHCPKHFHSA-N 2 1 409.599 3.630 20 0 HHADMP O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000555107079 1073159852 /nfs/dbraw/zinc/15/98/52/1073159852.db2.gz CPCSLVNSONTJDJ-QHCPKHFHSA-N 2 1 409.599 3.630 20 0 HHADMP C[NH+]1CCN(c2ccccc2-c2noc([C@@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)CC1 ZINC000555109411 1073165931 /nfs/dbraw/zinc/16/59/31/1073165931.db2.gz PMSZTRWEVYWGOE-OAQYLSRUSA-N 2 1 417.557 3.868 20 0 HHADMP Cc1cc(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)cc(N2CCCC2)[nH+]1 ZINC000555176334 1073235417 /nfs/dbraw/zinc/23/54/17/1073235417.db2.gz LZBZIWAVNSSKKD-NRFANRHFSA-N 2 1 401.599 3.690 20 0 HHADMP C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000555209719 1073250311 /nfs/dbraw/zinc/25/03/11/1073250311.db2.gz GNRBJVCUORYHLC-HNNXBMFYSA-N 2 1 414.377 3.755 20 0 HHADMP COCCN1CCC([NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000555225026 1073263717 /nfs/dbraw/zinc/26/37/17/1073263717.db2.gz FZQVDGMYJXBSNF-RMXUSPLISA-N 2 1 406.014 3.954 20 0 HHADMP COCC[NH+]1CCC([NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000555225026 1073263722 /nfs/dbraw/zinc/26/37/22/1073263722.db2.gz FZQVDGMYJXBSNF-RMXUSPLISA-N 3 1 406.014 3.954 20 0 HHADMP COCC[NH+]1CCC([NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000555225026 1073263726 /nfs/dbraw/zinc/26/37/26/1073263726.db2.gz FZQVDGMYJXBSNF-RMXUSPLISA-N 3 1 406.014 3.954 20 0 HHADMP Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)c1 ZINC000555418248 1073451267 /nfs/dbraw/zinc/45/12/67/1073451267.db2.gz IOSPNFAXUKSHKG-DFCKQENNSA-N 2 1 417.597 3.811 20 0 HHADMP Cc1cccc([C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000555418248 1073451276 /nfs/dbraw/zinc/45/12/76/1073451276.db2.gz IOSPNFAXUKSHKG-DFCKQENNSA-N 2 1 417.597 3.811 20 0 HHADMP Cc1cccc([C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000555418248 1073451284 /nfs/dbraw/zinc/45/12/84/1073451284.db2.gz IOSPNFAXUKSHKG-DFCKQENNSA-N 2 1 417.597 3.811 20 0 HHADMP C[C@H](c1ccc(F)cc1)N1CC[C@H](N2CCC[C@H](c3ncc4n3CCCC4)C2)C1=O ZINC000555501247 1073565159 /nfs/dbraw/zinc/56/51/59/1073565159.db2.gz JDGIXDAHEXLJNM-LZNRXBQRSA-N 2 1 410.537 3.900 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000555582621 1073650551 /nfs/dbraw/zinc/65/05/51/1073650551.db2.gz DSHSFKQTQQPVTP-FPOVZHCZSA-N 2 1 409.549 3.784 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000555582618 1073650709 /nfs/dbraw/zinc/65/07/09/1073650709.db2.gz DSHSFKQTQQPVTP-CTNGQTDRSA-N 2 1 409.549 3.784 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000590786180 1074003318 /nfs/dbraw/zinc/00/33/18/1074003318.db2.gz FRJPAMGTSXXEMW-KRWDZBQOSA-N 2 1 424.427 3.848 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)CC2)cs1 ZINC000591078564 1074099989 /nfs/dbraw/zinc/09/99/89/1074099989.db2.gz PUIDCIMIDXOJIU-FQEVSTJZSA-N 2 1 418.651 3.634 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000591581245 1074424545 /nfs/dbraw/zinc/42/45/45/1074424545.db2.gz LMNCUEZOVIYFKV-HSZRJFAPSA-N 2 1 400.611 3.982 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cccc3c2OCCCO3)CC1 ZINC000591711243 1074500517 /nfs/dbraw/zinc/50/05/17/1074500517.db2.gz UGBGFPFFXBMTCW-SFHVURJKSA-N 2 1 413.537 3.980 20 0 HHADMP CN(CC[N@@H+](C)Cc1ccc(OC(F)F)c(Br)c1)C1CC[NH+](C)CC1 ZINC000573927436 1074665152 /nfs/dbraw/zinc/66/51/52/1074665152.db2.gz MMSLCQIWADZWFR-UHFFFAOYSA-N 2 1 420.342 3.508 20 0 HHADMP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000573965609 1074744643 /nfs/dbraw/zinc/74/46/43/1074744643.db2.gz XVTYSLGHMIJOCG-IUZFBFHQSA-N 2 1 402.485 3.918 20 0 HHADMP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000573965609 1074744649 /nfs/dbraw/zinc/74/46/49/1074744649.db2.gz XVTYSLGHMIJOCG-IUZFBFHQSA-N 2 1 402.485 3.918 20 0 HHADMP CC(C)[N@H+](C)CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000596295201 1075550302 /nfs/dbraw/zinc/55/03/02/1075550302.db2.gz SBIIBGFARIYBKU-UHFFFAOYSA-N 2 1 401.382 3.597 20 0 HHADMP CC(C)[N@@H+](C)CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000596295201 1075550304 /nfs/dbraw/zinc/55/03/04/1075550304.db2.gz SBIIBGFARIYBKU-UHFFFAOYSA-N 2 1 401.382 3.597 20 0 HHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)n1 ZINC001164625876 719122996 /nfs/dbraw/zinc/12/29/96/719122996.db2.gz ZGGBMEVYVGNMOO-CVEARBPZSA-N 2 1 405.587 3.663 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(-c2cc(-c3ccc(Cl)nn3)ccc2F)c2c1CC[NH2+]C2 ZINC001164679597 719645508 /nfs/dbraw/zinc/64/55/08/719645508.db2.gz IKCSTLNYDLSADZ-UHFFFAOYSA-N 2 1 414.916 3.608 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(-c3ccc(Cl)nn3)ccc2F)c2c1CC[NH2+]C2 ZINC001164679597 719645515 /nfs/dbraw/zinc/64/55/15/719645515.db2.gz IKCSTLNYDLSADZ-UHFFFAOYSA-N 2 1 414.916 3.608 20 0 HHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc3[nH]ccc3c(C)[nH+]1)CC2 ZINC001164711726 720136924 /nfs/dbraw/zinc/13/69/24/720136924.db2.gz IMVSABGCFFHKHJ-FQEVSTJZSA-N 2 1 405.546 3.774 20 0 HHADMP COc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]c2ccccc21 ZINC001164842155 720575600 /nfs/dbraw/zinc/57/56/00/720575600.db2.gz WZWSBDWEYZLWAP-NNMXDRDESA-N 2 1 405.546 3.818 20 0 HHADMP COc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]c2ccccc21 ZINC001164842155 720575612 /nfs/dbraw/zinc/57/56/12/720575612.db2.gz WZWSBDWEYZLWAP-NNMXDRDESA-N 2 1 405.546 3.818 20 0 HHADMP Cc1[nH]c2nc[nH+]c(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2c1C ZINC001164843877 720693030 /nfs/dbraw/zinc/69/30/30/720693030.db2.gz ROAVCDKKAWXCNU-HXUWFJFHSA-N 2 1 405.546 3.835 20 0 HHADMP Cc1[nH]c2nc[nH+]c(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2c1C ZINC001164843877 720693034 /nfs/dbraw/zinc/69/30/34/720693034.db2.gz ROAVCDKKAWXCNU-HXUWFJFHSA-N 2 1 405.546 3.835 20 0 HHADMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc[nH+]c(N3CCCCC3)n1)CC2 ZINC001164841774 720709621 /nfs/dbraw/zinc/70/96/21/720709621.db2.gz WUUIQJHNIJSVGH-QFIPXVFZSA-N 2 1 421.589 3.727 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc[nH+]c(N3CCCCC3)n1)CC2 ZINC001164841774 720709630 /nfs/dbraw/zinc/70/96/30/720709630.db2.gz WUUIQJHNIJSVGH-QFIPXVFZSA-N 2 1 421.589 3.727 20 0 HHADMP COc1cc2cc[nH+]c(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c2cc1OC ZINC001164856185 720966869 /nfs/dbraw/zinc/96/68/69/720966869.db2.gz CFFOAJMYWBLJDB-INIZCTEOSA-N 2 1 409.534 3.870 20 0 HHADMP Cc1cc(N2CCCC2)nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)[nH+]1 ZINC001164792137 721489061 /nfs/dbraw/zinc/48/90/61/721489061.db2.gz HEFLUCBXVMZOJD-UHFFFAOYSA-N 2 1 406.578 3.661 20 0 HHADMP FC1(F)CCN(c2cc(N3CCCC3)cc[nH+]2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906806 721715259 /nfs/dbraw/zinc/71/52/59/721715259.db2.gz OLUJKKIETRYWIC-JOCHJYFZSA-N 2 1 413.516 3.815 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164912174 721761284 /nfs/dbraw/zinc/76/12/84/721761284.db2.gz USMPSVXXBYXUSA-UHFFFAOYSA-N 2 1 417.557 3.860 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164912174 721761288 /nfs/dbraw/zinc/76/12/88/721761288.db2.gz USMPSVXXBYXUSA-UHFFFAOYSA-N 2 1 417.557 3.860 20 0 HHADMP CC(C)n1ccc2c1nc[nH+]c2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164960017 722058954 /nfs/dbraw/zinc/05/89/54/722058954.db2.gz CVMWZGWVKTWUAI-UHFFFAOYSA-N 2 1 420.561 3.526 20 0 HHADMP CC(C)n1ccc2c1nc[nH+]c2N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164960017 722058956 /nfs/dbraw/zinc/05/89/56/722058956.db2.gz CVMWZGWVKTWUAI-UHFFFAOYSA-N 2 1 420.561 3.526 20 0 HHADMP C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000301198907 970803029 /nfs/dbraw/zinc/80/30/29/970803029.db2.gz PFXBIOZADABHGV-QGZVFWFLSA-N 2 1 403.368 3.604 20 0 HHADMP C[N@H+]1CCCC[C@@H]1CN1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000301198907 970803036 /nfs/dbraw/zinc/80/30/36/970803036.db2.gz PFXBIOZADABHGV-QGZVFWFLSA-N 2 1 403.368 3.604 20 0 HHADMP COc1cc2[nH+]c(NC3CC[NH+]([C@H](C)c4ccccc4)CC3)nc(N)c2cc1OC ZINC000301320666 970865956 /nfs/dbraw/zinc/86/59/56/970865956.db2.gz SEWNVPISCSYQCE-OAHLLOKOSA-N 2 1 407.518 3.867 20 0 HHADMP Cc1cc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301330072 970870734 /nfs/dbraw/zinc/87/07/34/970870734.db2.gz ALQBRGPSDVJAIY-FQEVSTJZSA-N 2 1 409.502 3.764 20 0 HHADMP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000542135979 1013068969 /nfs/dbraw/zinc/06/89/69/1013068969.db2.gz WTXNHQYKUPJBJA-SFYKDHMMSA-N 2 1 423.557 3.691 20 0 HHADMP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000542135979 1013068987 /nfs/dbraw/zinc/06/89/87/1013068987.db2.gz WTXNHQYKUPJBJA-SFYKDHMMSA-N 2 1 423.557 3.691 20 0 HHADMP CCC[N@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)C1 ZINC000303011471 971453032 /nfs/dbraw/zinc/45/30/32/971453032.db2.gz OUWUOBACPOXMOY-SXWKCWPCSA-N 2 1 400.611 3.696 20 0 HHADMP c1cc([C@H]2CCC[NH+](Cc3cccc(C[N@H+]4CCC[C@H](c5cc[nH]n5)C4)c3)C2)n[nH]1 ZINC000303219693 971566468 /nfs/dbraw/zinc/56/64/68/971566468.db2.gz RKRSXOUGVWGPHL-VXKWHMMOSA-N 2 1 404.562 3.892 20 0 HHADMP C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000542169819 1013107572 /nfs/dbraw/zinc/10/75/72/1013107572.db2.gz UWUVPPWXDBFLSU-IEXUWNMDSA-N 2 1 407.558 3.629 20 0 HHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000303479926 971779682 /nfs/dbraw/zinc/77/96/82/971779682.db2.gz PQJDXVHELGOGKN-SNWXZZBVSA-N 2 1 412.622 3.992 20 0 HHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000303479926 971779685 /nfs/dbraw/zinc/77/96/85/971779685.db2.gz PQJDXVHELGOGKN-SNWXZZBVSA-N 2 1 412.622 3.992 20 0 HHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000303479926 971779693 /nfs/dbraw/zinc/77/96/93/971779693.db2.gz PQJDXVHELGOGKN-SNWXZZBVSA-N 2 1 412.622 3.992 20 0 HHADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000303494117 971791905 /nfs/dbraw/zinc/79/19/05/971791905.db2.gz SVILFTRQSVYGTE-MYJTWYDDSA-N 2 1 412.622 3.848 20 0 HHADMP O=C(NCC[N@H+]1CCc2ccccc2C1)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000303494550 971792648 /nfs/dbraw/zinc/79/26/48/971792648.db2.gz SWQWVTYAFPRBFC-QILAJZQNSA-N 2 1 418.585 3.540 20 0 HHADMP O=C(NCC[NH+]1CCc2ccccc2C1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000303494550 971792654 /nfs/dbraw/zinc/79/26/54/971792654.db2.gz SWQWVTYAFPRBFC-QILAJZQNSA-N 2 1 418.585 3.540 20 0 HHADMP O=C(NCC[NH+]1CCc2ccccc2C1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000303494550 971792658 /nfs/dbraw/zinc/79/26/58/971792658.db2.gz SWQWVTYAFPRBFC-QILAJZQNSA-N 2 1 418.585 3.540 20 0 HHADMP COc1ccc([C@@H](CNC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000303520125 971821397 /nfs/dbraw/zinc/82/13/97/971821397.db2.gz YVVZSEKSURFMEE-HYBUGGRVSA-N 2 1 424.589 3.652 20 0 HHADMP C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000303609710 971897430 /nfs/dbraw/zinc/89/74/30/971897430.db2.gz AYQTWFXSPWQBNG-DENIHFKCSA-N 2 1 417.594 3.655 20 0 HHADMP C[C@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)C(=O)N1CCc2ccccc21 ZINC000303788971 972028412 /nfs/dbraw/zinc/02/84/12/972028412.db2.gz JQOQRZODBJJHLH-IBGZPJMESA-N 2 1 406.574 3.854 20 0 HHADMP CCOc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1OCC(F)(F)F ZINC000303811457 972045418 /nfs/dbraw/zinc/04/54/18/972045418.db2.gz VHEMZDHSOQDCEZ-KRWDZBQOSA-N 2 1 416.484 3.617 20 0 HHADMP C[C@@H]1C[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000537621849 1013167494 /nfs/dbraw/zinc/16/74/94/1013167494.db2.gz JHYRFADUOQPVCO-BWKNWUBXSA-N 2 1 421.633 3.683 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000537621849 1013167502 /nfs/dbraw/zinc/16/75/02/1013167502.db2.gz JHYRFADUOQPVCO-BWKNWUBXSA-N 2 1 421.633 3.683 20 0 HHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCSc4ccc(F)cc43)CC2)CC1 ZINC000553211093 1013172975 /nfs/dbraw/zinc/17/29/75/1013172975.db2.gz CSJSEEFLXUVKTP-HXUWFJFHSA-N 2 1 405.583 3.675 20 0 HHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000537647098 1013208013 /nfs/dbraw/zinc/20/80/13/1013208013.db2.gz OHBQRMHUDQKDDF-HXUWFJFHSA-N 2 1 421.383 3.568 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000537660066 1013220667 /nfs/dbraw/zinc/22/06/67/1013220667.db2.gz XGDXKXVMTOQTCV-HDICACEKSA-N 2 1 400.542 3.927 20 0 HHADMP CC(C)[NH+](C)CC1CCN(c2cncc(N3CCC(C[N@H+](C)C(C)C)CC3)n2)CC1 ZINC000553291862 1013249318 /nfs/dbraw/zinc/24/93/18/1013249318.db2.gz MGYARZSTNZGXHW-UHFFFAOYSA-N 2 1 416.658 3.590 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc(F)cc2F)CC1 ZINC000553338120 1013284336 /nfs/dbraw/zinc/28/43/36/1013284336.db2.gz URMTYQWMNDXDFL-KRWDZBQOSA-N 2 1 401.501 3.705 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000537733266 1013294514 /nfs/dbraw/zinc/29/45/14/1013294514.db2.gz KPNKXXZAZMVEEB-CPJSRVTESA-N 2 1 421.585 3.526 20 0 HHADMP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ncc(-c4ccccc4)s3)c2)C1 ZINC000537747671 1013310314 /nfs/dbraw/zinc/31/03/14/1013310314.db2.gz DMZKOORXKCPTMR-OAQYLSRUSA-N 2 1 420.582 3.797 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ncc(-c4ccccc4)s3)c2)C1 ZINC000537747671 1013310322 /nfs/dbraw/zinc/31/03/22/1013310322.db2.gz DMZKOORXKCPTMR-OAQYLSRUSA-N 2 1 420.582 3.797 20 0 HHADMP C[NH+](C)[C@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000542395494 1013349169 /nfs/dbraw/zinc/34/91/69/1013349169.db2.gz XVKXJCWWTPWYGC-CCDWMCETSA-N 2 1 421.585 3.642 20 0 HHADMP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)c2ccccc2)CC1 ZINC000553435741 1013352298 /nfs/dbraw/zinc/35/22/98/1013352298.db2.gz PCRUDOXHYATMRQ-HXUWFJFHSA-N 2 1 406.343 3.667 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000553445870 1013360020 /nfs/dbraw/zinc/36/00/20/1013360020.db2.gz FQHMGOJIVWTJSM-RCZVLFRGSA-N 2 1 412.622 3.949 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553445870 1013360029 /nfs/dbraw/zinc/36/00/29/1013360029.db2.gz FQHMGOJIVWTJSM-RCZVLFRGSA-N 2 1 412.622 3.949 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553445870 1013360041 /nfs/dbraw/zinc/36/00/41/1013360041.db2.gz FQHMGOJIVWTJSM-RCZVLFRGSA-N 2 1 412.622 3.949 20 0 HHADMP CC[N@@H+](CCC1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1)CC1CC1 ZINC000537807720 1013369388 /nfs/dbraw/zinc/36/93/88/1013369388.db2.gz GKPDFGZDJFDKDG-UHFFFAOYSA-N 2 1 404.643 3.937 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@H]3c3ccc(OC)cc3)cc2)CC1 ZINC000015452803 962766757 /nfs/dbraw/zinc/76/67/57/962766757.db2.gz RPQIMWDYMYBFBL-DEOSSOPVSA-N 2 1 422.573 3.613 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@H]3c3ccc(OC)cc3)cc2)CC1 ZINC000015452803 962766759 /nfs/dbraw/zinc/76/67/59/962766759.db2.gz RPQIMWDYMYBFBL-DEOSSOPVSA-N 2 1 422.573 3.613 20 0 HHADMP CC[N@@H+](CCC1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC1)CC1CC1 ZINC000537818929 1013382164 /nfs/dbraw/zinc/38/21/64/1013382164.db2.gz WDENZVSRODFQLL-UHFFFAOYSA-N 2 1 400.611 3.792 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000537841438 1013403281 /nfs/dbraw/zinc/40/32/81/1013403281.db2.gz LLJXFXPDEMCWTQ-XMMPIXPASA-N 2 1 406.574 3.814 20 0 HHADMP COc1ccc(-c2noc(C[N@@H+](C)CCC3CCN(c4cc[nH+]cc4)CC3)n2)cc1 ZINC000537842735 1013404344 /nfs/dbraw/zinc/40/43/44/1013404344.db2.gz CBYUCHRFLHEQAC-UHFFFAOYSA-N 2 1 407.518 3.879 20 0 HHADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2ccc3c(c2)OCO3)CC1)CC1CC1 ZINC000537847331 1013412914 /nfs/dbraw/zinc/41/29/14/1013412914.db2.gz QXJIIISYYOSLJK-QGZVFWFLSA-N 2 1 401.551 3.576 20 0 HHADMP C[C@H]([NH2+]CC(=O)N[C@@H](c1nccs1)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529802 1013471507 /nfs/dbraw/zinc/47/15/07/1013471507.db2.gz TXXHSINZVJMEKL-LRXVAGHRSA-N 2 1 412.603 3.591 20 0 HHADMP C[C@H]([NH2+]CC(=O)N[C@@H](c1nccs1)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529802 1013471510 /nfs/dbraw/zinc/47/15/10/1013471510.db2.gz TXXHSINZVJMEKL-LRXVAGHRSA-N 2 1 412.603 3.591 20 0 HHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000542529172 1013470658 /nfs/dbraw/zinc/47/06/58/1013470658.db2.gz QLMIWEPQPPCMKG-SOUVJXGZSA-N 2 1 409.477 3.578 20 0 HHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000542529172 1013470664 /nfs/dbraw/zinc/47/06/64/1013470664.db2.gz QLMIWEPQPPCMKG-SOUVJXGZSA-N 2 1 409.477 3.578 20 0 HHADMP C[C@H]1C[NH+](Cc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC000024964254 964125925 /nfs/dbraw/zinc/12/59/25/964125925.db2.gz RUGFQYKXQIEZRW-SFTDATJTSA-N 2 1 421.585 3.690 20 0 HHADMP C[C@@H]([NH2+]CC(=O)NCc1ccccc1OC1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542531692 1013475144 /nfs/dbraw/zinc/47/51/44/1013475144.db2.gz FCOKOAUCGABATD-TZIWHRDSSA-N 2 1 413.606 3.867 20 0 HHADMP C[C@@H]([NH2+]CC(=O)NCc1ccccc1OC1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542531692 1013475149 /nfs/dbraw/zinc/47/51/49/1013475149.db2.gz FCOKOAUCGABATD-TZIWHRDSSA-N 2 1 413.606 3.867 20 0 HHADMP Cc1cc([C@H](C)[NH2+][C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c(C)s1 ZINC000542532514 1013476017 /nfs/dbraw/zinc/47/60/17/1013476017.db2.gz OUJHJVIOHXJJJQ-ZWKOTPCHSA-N 2 1 415.603 3.553 20 0 HHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@@H]3C[N@H+](CC(C)C)CCO3)c2c1C ZINC000025372714 964256597 /nfs/dbraw/zinc/25/65/97/964256597.db2.gz KAFNZIBKATXCTI-GOSISDBHSA-N 2 1 417.623 3.673 20 0 HHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@@H]3C[N@@H+](CC(C)C)CCO3)c2c1C ZINC000025372714 964256605 /nfs/dbraw/zinc/25/66/05/964256605.db2.gz KAFNZIBKATXCTI-GOSISDBHSA-N 2 1 417.623 3.673 20 0 HHADMP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000052713789 964960155 /nfs/dbraw/zinc/96/01/55/964960155.db2.gz FKMRCPKXWAUBOP-GOSISDBHSA-N 2 1 400.567 3.560 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000537965942 1013542994 /nfs/dbraw/zinc/54/29/94/1013542994.db2.gz MUQNRLXTUBAJMW-HNNXBMFYSA-N 2 1 403.935 3.959 20 0 HHADMP CC[NH+](CC)CCCNC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000056992753 965241870 /nfs/dbraw/zinc/24/18/70/965241870.db2.gz LPZVPNCZXOCUCI-UHFFFAOYSA-N 2 1 414.516 3.701 20 0 HHADMP COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)C2=O)c1 ZINC000537983501 1013559059 /nfs/dbraw/zinc/55/90/59/1013559059.db2.gz NWWLPJIYOPGRQT-WAIKUNEKSA-N 2 1 420.513 3.654 20 0 HHADMP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058879975 965937672 /nfs/dbraw/zinc/93/76/72/965937672.db2.gz VEZIQJMSBXCQGI-NRFANRHFSA-N 2 1 415.528 3.767 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[NH+](C(C)(C)C)CC3)cc2)C1 ZINC000060545135 966197749 /nfs/dbraw/zinc/19/77/49/966197749.db2.gz NVQLPNMOPTVQFK-HXUWFJFHSA-N 2 1 400.611 3.934 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CCC[N@@H+](C(C)(C)C)CC3)cc2)C1 ZINC000060545135 966197755 /nfs/dbraw/zinc/19/77/55/966197755.db2.gz NVQLPNMOPTVQFK-HXUWFJFHSA-N 2 1 400.611 3.934 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CCC[N@H+](C(C)(C)C)CC3)cc2)C1 ZINC000060545135 966197761 /nfs/dbraw/zinc/19/77/61/966197761.db2.gz NVQLPNMOPTVQFK-HXUWFJFHSA-N 2 1 400.611 3.934 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000538058375 1013634932 /nfs/dbraw/zinc/63/49/32/1013634932.db2.gz AIDKONYGMWQVMI-CEXWTWQISA-N 2 1 415.603 3.663 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)o1 ZINC000056846307 966490691 /nfs/dbraw/zinc/49/06/91/966490691.db2.gz YXALWGDNJCORFS-UHFFFAOYSA-N 2 1 400.567 3.702 20 0 HHADMP C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000061553379 966499314 /nfs/dbraw/zinc/49/93/14/966499314.db2.gz JFCJYTUMPJNEAQ-HXUWFJFHSA-N 2 1 406.574 3.528 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1cccs1 ZINC000061790484 966554711 /nfs/dbraw/zinc/55/47/11/966554711.db2.gz ZCUXAJRQTYUKTC-GOSISDBHSA-N 2 1 404.605 3.721 20 0 HHADMP C[N@@H+](CCNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)Cc1ccccc1 ZINC000061791166 966555846 /nfs/dbraw/zinc/55/58/46/966555846.db2.gz JUNNMVVNKZVZSG-UHFFFAOYSA-N 2 1 412.603 3.531 20 0 HHADMP C[C@@H](CNC(=O)NC1CC[NH+](CC2CCCCC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000062528151 966698393 /nfs/dbraw/zinc/69/83/93/966698393.db2.gz BUVDFZFYALBERO-FQEVSTJZSA-N 2 1 412.622 3.777 20 0 HHADMP COc1nc(C)cc(C)c1C[N@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000553890837 1013678690 /nfs/dbraw/zinc/67/86/90/1013678690.db2.gz OQWUUBKJDMRKLZ-UHFFFAOYSA-N 2 1 412.578 3.824 20 0 HHADMP COc1nc(C)cc(C)c1C[N@@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000553890837 1013678696 /nfs/dbraw/zinc/67/86/96/1013678696.db2.gz OQWUUBKJDMRKLZ-UHFFFAOYSA-N 2 1 412.578 3.824 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)c1 ZINC000064229449 967095122 /nfs/dbraw/zinc/09/51/22/967095122.db2.gz BDKBYGDAKVZJHK-UHFFFAOYSA-N 2 1 400.542 3.551 20 0 HHADMP C[N@@H+]1CCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)[C@@H](c2ccccc2)C1 ZINC000064251342 967105375 /nfs/dbraw/zinc/10/53/75/967105375.db2.gz UMXYMHSJYZKITR-JOCHJYFZSA-N 2 1 412.603 3.658 20 0 HHADMP C[N@H+]1CCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)[C@@H](c2ccccc2)C1 ZINC000064251342 967105381 /nfs/dbraw/zinc/10/53/81/967105381.db2.gz UMXYMHSJYZKITR-JOCHJYFZSA-N 2 1 412.603 3.658 20 0 HHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000542847716 1013706635 /nfs/dbraw/zinc/70/66/35/1013706635.db2.gz XBZSZNDXYVWMBJ-JWQCQUIFSA-N 2 1 402.542 3.507 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000064643945 967256804 /nfs/dbraw/zinc/25/68/04/967256804.db2.gz AWUYIVCTFGSTJU-FQEVSTJZSA-N 2 1 400.592 3.521 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000064644570 967258910 /nfs/dbraw/zinc/25/89/10/967258910.db2.gz RQAKVUOBNUXRDY-RXVVDRJESA-N 2 1 400.592 3.562 20 0 HHADMP C[N@@H+]1CCN(C(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)[C@@H](c2ccccc2)C1 ZINC000064754807 967283754 /nfs/dbraw/zinc/28/37/54/967283754.db2.gz TZSUPYLNAXBTAV-DENIHFKCSA-N 2 1 412.603 3.658 20 0 HHADMP C[N@H+]1CCN(C(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)[C@@H](c2ccccc2)C1 ZINC000064754807 967283764 /nfs/dbraw/zinc/28/37/64/967283764.db2.gz TZSUPYLNAXBTAV-DENIHFKCSA-N 2 1 412.603 3.658 20 0 HHADMP C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H](c2ccccc2)C1 ZINC000064754807 967283774 /nfs/dbraw/zinc/28/37/74/967283774.db2.gz TZSUPYLNAXBTAV-DENIHFKCSA-N 2 1 412.603 3.658 20 0 HHADMP C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)[C@@H](c2ccccc2)C1 ZINC000064754807 967283782 /nfs/dbraw/zinc/28/37/82/967283782.db2.gz TZSUPYLNAXBTAV-DENIHFKCSA-N 2 1 412.603 3.658 20 0 HHADMP CCC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@H](C)c1cc2ccccc2o1 ZINC000064940860 967333267 /nfs/dbraw/zinc/33/32/67/967333267.db2.gz JNJYUVICXFLJCZ-TZIWHRDSSA-N 2 1 415.578 3.679 20 0 HHADMP CCC[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[C@H](C)c1cc2ccccc2o1 ZINC000064940860 967333274 /nfs/dbraw/zinc/33/32/74/967333274.db2.gz JNJYUVICXFLJCZ-TZIWHRDSSA-N 2 1 415.578 3.679 20 0 HHADMP CCC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@H](C)c1cc2ccccc2o1 ZINC000064940860 967333283 /nfs/dbraw/zinc/33/32/83/967333283.db2.gz JNJYUVICXFLJCZ-TZIWHRDSSA-N 2 1 415.578 3.679 20 0 HHADMP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553955487 1013721839 /nfs/dbraw/zinc/72/18/39/1013721839.db2.gz RNDBCWMPAWEDKL-RUZDIDTESA-N 2 1 410.606 3.701 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000065518324 967503793 /nfs/dbraw/zinc/50/37/93/967503793.db2.gz GMIHCFQJUCYUAF-QHCPKHFHSA-N 2 1 400.611 3.710 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000065519143 967503842 /nfs/dbraw/zinc/50/38/42/967503842.db2.gz NZNLOJKZKXHGRQ-ZDXQCDESSA-N 2 1 414.638 3.956 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000065519143 967503845 /nfs/dbraw/zinc/50/38/45/967503845.db2.gz NZNLOJKZKXHGRQ-ZDXQCDESSA-N 2 1 414.638 3.956 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000065519143 967503852 /nfs/dbraw/zinc/50/38/52/967503852.db2.gz NZNLOJKZKXHGRQ-ZDXQCDESSA-N 2 1 414.638 3.956 20 0 HHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000065549986 967514305 /nfs/dbraw/zinc/51/43/05/967514305.db2.gz ZKUANFUXVPVZMK-HXUWFJFHSA-N 2 1 400.611 3.982 20 0 HHADMP COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000538167287 1013727726 /nfs/dbraw/zinc/72/77/26/1013727726.db2.gz BIADSYMNYYTWES-ZWKOTPCHSA-N 2 1 413.537 3.654 20 0 HHADMP Cn1ccnc1[C@H]([NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000538274531 1013813811 /nfs/dbraw/zinc/81/38/11/1013813811.db2.gz BACFZVUZOODLBT-RUZDIDTESA-N 2 1 415.585 3.983 20 0 HHADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000554181579 1013841014 /nfs/dbraw/zinc/84/10/14/1013841014.db2.gz CLEBTKZIOYYRMG-UHFFFAOYSA-N 2 1 424.614 3.626 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000072049459 968959216 /nfs/dbraw/zinc/95/92/16/968959216.db2.gz SXNSPSMJXJWROR-FQEVSTJZSA-N 2 1 400.592 3.836 20 0 HHADMP C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000078928007 969024858 /nfs/dbraw/zinc/02/48/58/969024858.db2.gz PBCQIESYFNPWFE-IBGZPJMESA-N 2 1 409.599 3.663 20 0 HHADMP C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000078928007 969024862 /nfs/dbraw/zinc/02/48/62/969024862.db2.gz PBCQIESYFNPWFE-IBGZPJMESA-N 2 1 409.599 3.663 20 0 HHADMP O=C(NC[C@H]1CC[NH+](CCc2ccccc2)C1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000097549221 969157943 /nfs/dbraw/zinc/15/79/43/969157943.db2.gz DKMDRTAYYQDUGH-DNQXCXABSA-N 2 1 423.576 3.719 20 0 HHADMP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000097549221 969157948 /nfs/dbraw/zinc/15/79/48/969157948.db2.gz DKMDRTAYYQDUGH-DNQXCXABSA-N 2 1 423.576 3.719 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000097549221 969157952 /nfs/dbraw/zinc/15/79/52/969157952.db2.gz DKMDRTAYYQDUGH-DNQXCXABSA-N 2 1 423.576 3.719 20 0 HHADMP COc1c(Br)cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000097604717 969178627 /nfs/dbraw/zinc/17/86/27/969178627.db2.gz NSAKENNJCRTSGS-JQWIXIFHSA-N 2 1 406.162 3.793 20 0 HHADMP COc1c(Br)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Br ZINC000097604717 969178631 /nfs/dbraw/zinc/17/86/31/969178631.db2.gz NSAKENNJCRTSGS-JQWIXIFHSA-N 2 1 406.162 3.793 20 0 HHADMP CN(C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000554237514 1013867277 /nfs/dbraw/zinc/86/72/77/1013867277.db2.gz KTMNVVZBVILLAS-APZTZJSISA-N 2 1 404.986 3.744 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000108596995 969398044 /nfs/dbraw/zinc/39/80/44/969398044.db2.gz WNGWFMREWRNHSF-FQEVSTJZSA-N 2 1 409.574 3.789 20 0 HHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000554259101 1013880681 /nfs/dbraw/zinc/88/06/81/1013880681.db2.gz BGEUWRNNUZZKRW-HXUWFJFHSA-N 2 1 402.539 3.563 20 0 HHADMP CC(C)[NH+]1CCN(c2ccc(C(=O)NCCC[N@@H+](C)C3CCCCC3)cc2)CC1 ZINC000109900685 969589809 /nfs/dbraw/zinc/58/98/09/969589809.db2.gz YIHIUSKYCCNZCT-UHFFFAOYSA-N 2 1 400.611 3.601 20 0 HHADMP CC[NH+](CC)[C@H](C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccccc1 ZINC000111100477 969777158 /nfs/dbraw/zinc/77/71/58/969777158.db2.gz NVAWGIOQEHBVPR-YKSBVNFPSA-N 2 1 409.574 3.607 20 0 HHADMP CC[NH+](CC)[C@H](C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccccc1 ZINC000111100477 969777161 /nfs/dbraw/zinc/77/71/61/969777161.db2.gz NVAWGIOQEHBVPR-YKSBVNFPSA-N 2 1 409.574 3.607 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000116393336 969890465 /nfs/dbraw/zinc/89/04/65/969890465.db2.gz WFWRKTUBWOLURI-SQJMNOBHSA-N 2 1 420.601 3.842 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000116393336 969890468 /nfs/dbraw/zinc/89/04/68/969890468.db2.gz WFWRKTUBWOLURI-SQJMNOBHSA-N 2 1 420.601 3.842 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000116393336 969890472 /nfs/dbraw/zinc/89/04/72/969890472.db2.gz WFWRKTUBWOLURI-SQJMNOBHSA-N 2 1 420.601 3.842 20 0 HHADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000116437219 969894935 /nfs/dbraw/zinc/89/49/35/969894935.db2.gz WJRANRZSEVPQCD-JOCHJYFZSA-N 2 1 424.614 3.790 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000228631475 970125537 /nfs/dbraw/zinc/12/55/37/970125537.db2.gz DUBYFEPKEWWISM-TZIWHRDSSA-N 2 1 411.512 3.678 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000142198918 970145783 /nfs/dbraw/zinc/14/57/83/970145783.db2.gz LFPDSPXIYHAADE-IBGZPJMESA-N 2 1 406.640 3.771 20 0 HHADMP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000236746506 970167817 /nfs/dbraw/zinc/16/78/17/970167817.db2.gz IBHPLNNCJCESAU-NRFANRHFSA-N 2 1 401.595 3.930 20 0 HHADMP CCN1CC[NH+](CCCC[NH2+]Cc2c(C)nn(Cc3ccc(F)cc3)c2Cl)CC1 ZINC000236940140 970190783 /nfs/dbraw/zinc/19/07/83/970190783.db2.gz DQKMOZFPJFEVJE-UHFFFAOYSA-N 2 1 421.992 3.540 20 0 HHADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)cc1 ZINC000237178230 970236883 /nfs/dbraw/zinc/23/68/83/970236883.db2.gz YMBCQGWZQZPTLE-UHFFFAOYSA-N 2 1 412.534 3.530 20 0 HHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)C[C@H](C)O1 ZINC000237610273 970322261 /nfs/dbraw/zinc/32/22/61/970322261.db2.gz GYAQZGFDVRFXHH-KDURUIRLSA-N 2 1 417.594 3.963 20 0 HHADMP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000237685046 970338734 /nfs/dbraw/zinc/33/87/34/970338734.db2.gz MWOHPWMBQZYQNX-LJQANCHMSA-N 2 1 404.986 3.777 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccsc1 ZINC000148996566 970377315 /nfs/dbraw/zinc/37/73/15/970377315.db2.gz XFLGSDMQDAZRGA-VQIMIIECSA-N 2 1 406.621 3.624 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccccc3C(F)(F)F)c2)C1 ZINC000237917025 970394411 /nfs/dbraw/zinc/39/44/11/970394411.db2.gz JWYWCNUGLRFQQT-LJQANCHMSA-N 2 1 405.464 3.693 20 0 HHADMP COc1c(Br)cc(C[NH2+]CCCn2cc[nH+]c2C)cc1Br ZINC000554694760 1014016603 /nfs/dbraw/zinc/01/66/03/1014016603.db2.gz RTUHLJCTVDJDQA-UHFFFAOYSA-N 2 1 417.145 3.905 20 0 HHADMP CC1CC[NH+](CCCNC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000410335316 973916076 /nfs/dbraw/zinc/91/60/76/973916076.db2.gz OTBLKSCVJBFHQI-NRFANRHFSA-N 2 1 400.611 3.982 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000410353442 973944166 /nfs/dbraw/zinc/94/41/66/973944166.db2.gz LTSNLROUVHHJPR-FQEVSTJZSA-N 2 1 408.590 3.980 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000410355773 973947867 /nfs/dbraw/zinc/94/78/67/973947867.db2.gz SSJJEQTWMNKAPB-HXUWFJFHSA-N 2 1 400.611 3.981 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CC[NH+](Cc4ccccc4)C3)cc2)C1 ZINC000410377206 973974888 /nfs/dbraw/zinc/97/48/88/973974888.db2.gz YPMUVJFALHUZJC-BWKNWUBXSA-N 2 1 420.601 3.992 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)C1 ZINC000410377206 973974894 /nfs/dbraw/zinc/97/48/94/973974894.db2.gz YPMUVJFALHUZJC-BWKNWUBXSA-N 2 1 420.601 3.992 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)C1 ZINC000410377206 973974900 /nfs/dbraw/zinc/97/49/00/973974900.db2.gz YPMUVJFALHUZJC-BWKNWUBXSA-N 2 1 420.601 3.992 20 0 HHADMP CC[N@@H+](CCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)CCC(F)(F)F ZINC000426002403 974117518 /nfs/dbraw/zinc/11/75/18/974117518.db2.gz FQVXJQVJOQHZNQ-GOSISDBHSA-N 2 1 406.537 3.558 20 0 HHADMP C[C@@H](CCCC(F)(F)F)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000426090226 974214118 /nfs/dbraw/zinc/21/41/18/974214118.db2.gz QZJNLXJTKKVINF-KRWDZBQOSA-N 2 1 420.564 3.945 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)CC2)c1 ZINC000426128444 974250901 /nfs/dbraw/zinc/25/09/01/974250901.db2.gz PVRVDDLZVXWLFY-UHFFFAOYSA-N 2 1 423.561 3.609 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1ccco1 ZINC000426160850 974274459 /nfs/dbraw/zinc/27/44/59/974274459.db2.gz LHODKTRFCGZGLC-FQEVSTJZSA-N 2 1 400.523 3.569 20 0 HHADMP Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426792286 974663297 /nfs/dbraw/zinc/66/32/97/974663297.db2.gz IQVJQXNRCDEPJD-IAGOWNOFSA-N 2 1 407.986 3.798 20 0 HHADMP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426795563 974665931 /nfs/dbraw/zinc/66/59/31/974665931.db2.gz XYLSJIMAARJIQT-YUMYIRISSA-N 2 1 415.622 3.506 20 0 HHADMP CCOc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000426816953 974682366 /nfs/dbraw/zinc/68/23/66/974682366.db2.gz QZYHLBGYQUYCJS-UFYCRDLUSA-N 2 1 417.594 3.624 20 0 HHADMP CC(C)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000427611217 975210787 /nfs/dbraw/zinc/21/07/87/975210787.db2.gz YKBPSUJNLVBEEH-DEOSSOPVSA-N 2 1 409.574 3.704 20 0 HHADMP Cc1cc(NC(=O)C2CC[NH+](C(C)C)CC2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000427932121 975355863 /nfs/dbraw/zinc/35/58/63/975355863.db2.gz NWBFKILDZOAQKM-JOCHJYFZSA-N 2 1 409.578 3.697 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000428638243 975940144 /nfs/dbraw/zinc/94/01/44/975940144.db2.gz FVYBAYNKDMDTLY-GIWBLDEGSA-N 2 1 400.611 3.993 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000428638243 975940148 /nfs/dbraw/zinc/94/01/48/975940148.db2.gz FVYBAYNKDMDTLY-GIWBLDEGSA-N 2 1 400.611 3.993 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000428638243 975940159 /nfs/dbraw/zinc/94/01/59/975940159.db2.gz FVYBAYNKDMDTLY-GIWBLDEGSA-N 2 1 400.611 3.993 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000428643787 975945302 /nfs/dbraw/zinc/94/53/02/975945302.db2.gz RUXYUPJVHQLNMD-GIWBLDEGSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000428643787 975945308 /nfs/dbraw/zinc/94/53/08/975945308.db2.gz RUXYUPJVHQLNMD-GIWBLDEGSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000428643787 975945316 /nfs/dbraw/zinc/94/53/16/975945316.db2.gz RUXYUPJVHQLNMD-GIWBLDEGSA-N 2 1 400.611 3.851 20 0 HHADMP COC1(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CCOCC1 ZINC000428869522 976160423 /nfs/dbraw/zinc/16/04/23/976160423.db2.gz BINRCGBSRWSXRT-IEBWSBKVSA-N 2 1 400.485 3.874 20 0 HHADMP COC1(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CCOCC1 ZINC000428869522 976160428 /nfs/dbraw/zinc/16/04/28/976160428.db2.gz BINRCGBSRWSXRT-IEBWSBKVSA-N 2 1 400.485 3.874 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)[nH+]c1 ZINC000428906087 976208431 /nfs/dbraw/zinc/20/84/31/976208431.db2.gz JZANOFAMJZDMII-OFNKIYASSA-N 2 1 421.589 3.711 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)[nH+]c1 ZINC000428906087 976208441 /nfs/dbraw/zinc/20/84/41/976208441.db2.gz JZANOFAMJZDMII-OFNKIYASSA-N 2 1 421.589 3.711 20 0 HHADMP O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000429049923 976336057 /nfs/dbraw/zinc/33/60/57/976336057.db2.gz RDDMCSZSGDYZQT-DEOSSOPVSA-N 2 1 423.626 3.632 20 0 HHADMP O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000429049923 976336070 /nfs/dbraw/zinc/33/60/70/976336070.db2.gz RDDMCSZSGDYZQT-DEOSSOPVSA-N 2 1 423.626 3.632 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N(C)Cc1ccccc1Br ZINC000429230864 976522907 /nfs/dbraw/zinc/52/29/07/976522907.db2.gz YLUDXBPVNKATKR-UHFFFAOYSA-N 2 1 421.383 3.579 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N(C)Cc1ccccc1Br ZINC000429230864 976522911 /nfs/dbraw/zinc/52/29/11/976522911.db2.gz YLUDXBPVNKATKR-UHFFFAOYSA-N 2 1 421.383 3.579 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccc(Br)c(C)c1 ZINC000429238009 976528331 /nfs/dbraw/zinc/52/83/31/976528331.db2.gz QDKVKHSEPVGHSR-UHFFFAOYSA-N 2 1 407.356 3.867 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc(Br)c(C)c1 ZINC000429238009 976528341 /nfs/dbraw/zinc/52/83/41/976528341.db2.gz QDKVKHSEPVGHSR-UHFFFAOYSA-N 2 1 407.356 3.867 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCCO2)cc1)C1CC1 ZINC000429331785 976596538 /nfs/dbraw/zinc/59/65/38/976596538.db2.gz OUEMTZQTWKEQCR-VWLOTQADSA-N 2 1 421.585 3.692 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1)C1CC1 ZINC000429331785 976596548 /nfs/dbraw/zinc/59/65/48/976596548.db2.gz OUEMTZQTWKEQCR-VWLOTQADSA-N 2 1 421.585 3.692 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1)C1CC1 ZINC000429331785 976596561 /nfs/dbraw/zinc/59/65/61/976596561.db2.gz OUEMTZQTWKEQCR-VWLOTQADSA-N 2 1 421.585 3.692 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)CC[N@H+]1C ZINC000429494180 976752000 /nfs/dbraw/zinc/75/20/00/976752000.db2.gz RAIZHAVNBXKPQW-STZQEDGTSA-N 2 1 400.611 3.584 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)CC[NH+]1C ZINC000429494180 976752006 /nfs/dbraw/zinc/75/20/06/976752006.db2.gz RAIZHAVNBXKPQW-STZQEDGTSA-N 2 1 400.611 3.584 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)CC[NH+]1C ZINC000429494180 976752011 /nfs/dbraw/zinc/75/20/11/976752011.db2.gz RAIZHAVNBXKPQW-STZQEDGTSA-N 2 1 400.611 3.584 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429678935 976975289 /nfs/dbraw/zinc/97/52/89/976975289.db2.gz BLPJKEPHOIHEND-IZZNHLLZSA-N 2 1 407.602 3.731 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429678935 976975295 /nfs/dbraw/zinc/97/52/95/976975295.db2.gz BLPJKEPHOIHEND-IZZNHLLZSA-N 2 1 407.602 3.731 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429678935 976975303 /nfs/dbraw/zinc/97/53/03/976975303.db2.gz BLPJKEPHOIHEND-IZZNHLLZSA-N 2 1 407.602 3.731 20 0 HHADMP CC[C@H](Oc1cccc(C)c1)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430666822 977678514 /nfs/dbraw/zinc/67/85/14/977678514.db2.gz DJHGTGCHUDHYGI-DEOSSOPVSA-N 2 1 415.622 3.807 20 0 HHADMP Cc1cccc2c(CC(=O)N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)c[nH]c21 ZINC000430666793 977678686 /nfs/dbraw/zinc/67/86/86/977678686.db2.gz DCLJAKBAIIKCPK-UHFFFAOYSA-N 2 1 410.606 3.674 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000430674281 977685729 /nfs/dbraw/zinc/68/57/29/977685729.db2.gz ALXXJHDLIRTGGP-FGZHOGPDSA-N 2 1 419.560 3.723 20 0 HHADMP CC[C@@H](Oc1ccccc1C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430674386 977685743 /nfs/dbraw/zinc/68/57/43/977685743.db2.gz IZINCHLQJIMNMZ-HSZRJFAPSA-N 2 1 415.622 3.807 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cc(-c2cccs2)on1 ZINC000430680564 977690703 /nfs/dbraw/zinc/69/07/03/977690703.db2.gz YRJICPPNMZCKKD-UHFFFAOYSA-N 2 1 416.591 3.671 20 0 HHADMP COc1ccccc1[C@@H](C)CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430685006 977694226 /nfs/dbraw/zinc/69/42/26/977694226.db2.gz GKKBBTFCBYJNKB-FQEVSTJZSA-N 2 1 415.622 3.844 20 0 HHADMP CCO[C@@H](C)c1ncc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000430687139 977695068 /nfs/dbraw/zinc/69/50/68/977695068.db2.gz PGZWZHUFLMARMZ-KRWDZBQOSA-N 2 1 422.639 3.509 20 0 HHADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1C ZINC000430945565 977906358 /nfs/dbraw/zinc/90/63/58/977906358.db2.gz RRFUNNSWRXMVOO-NRFANRHFSA-N 2 1 414.638 3.759 20 0 HHADMP C[C@@H]1CCC[C@@H](CNC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@H]1C ZINC000431001125 977945564 /nfs/dbraw/zinc/94/55/64/977945564.db2.gz ICWBTVXMSNEJOV-URVUXULASA-N 2 1 406.659 3.896 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)Nc2cccc(OCC[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000431056865 977986014 /nfs/dbraw/zinc/98/60/14/977986014.db2.gz FPCDKRZROBBKJN-UGKGYDQZSA-N 2 1 410.562 3.802 20 0 HHADMP Cc1cc(NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000431150139 978051762 /nfs/dbraw/zinc/05/17/62/978051762.db2.gz NEBFOTIGQULADH-UHFFFAOYSA-N 2 1 416.614 3.578 20 0 HHADMP Cc1ccc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c2n[nH]cc21 ZINC000431202789 978090967 /nfs/dbraw/zinc/09/09/67/978090967.db2.gz KZJRQUZEAYINSG-UHFFFAOYSA-N 2 1 412.582 3.531 20 0 HHADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cc2)CC1 ZINC000431322755 978207800 /nfs/dbraw/zinc/20/78/00/978207800.db2.gz YAEIUTZBPVZTKC-QPPBQGQZSA-N 2 1 420.601 3.611 20 0 HHADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)cc2)CC1 ZINC000431322756 978207888 /nfs/dbraw/zinc/20/78/88/978207888.db2.gz YAEIUTZBPVZTKC-URXFXBBRSA-N 2 1 420.601 3.611 20 0 HHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000431569460 978363396 /nfs/dbraw/zinc/36/33/96/978363396.db2.gz HYARLCZBLRPYAA-FPOVZHCZSA-N 2 1 406.640 3.680 20 0 HHADMP C[C@H](CCc1ccccc1)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431863709 978558507 /nfs/dbraw/zinc/55/85/07/978558507.db2.gz STVQKRYTJGZUSI-OAQYLSRUSA-N 2 1 414.638 3.845 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCCCOC1CCCCC1 ZINC000431867760 978561653 /nfs/dbraw/zinc/56/16/53/978561653.db2.gz LJZTYNRROGCDIJ-UHFFFAOYSA-N 2 1 422.658 3.564 20 0 HHADMP CC(C)(C)[N@H+]1C[C@@H](C(=O)NCc2cccc(C[NH+]3CCCC3)c2)[C@H](C(F)(F)F)C1 ZINC000431947551 978613905 /nfs/dbraw/zinc/61/39/05/978613905.db2.gz AEHBKHHRBIMFDP-RTBURBONSA-N 2 1 411.512 3.807 20 0 HHADMP C[C@H](C(=O)NCCc1ccccc1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433050379 979052331 /nfs/dbraw/zinc/05/23/31/979052331.db2.gz BKTJMXVVYUSIKI-JOCHJYFZSA-N 2 1 405.586 3.722 20 0 HHADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000433314887 979231550 /nfs/dbraw/zinc/23/15/50/979231550.db2.gz ACLSIBPMFLGAOY-UHFFFAOYSA-N 2 1 406.534 3.503 20 0 HHADMP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000433365967 979257776 /nfs/dbraw/zinc/25/77/76/979257776.db2.gz QYHDLTSTRRSLGG-QFIPXVFZSA-N 2 1 414.594 3.573 20 0 HHADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC[C@H]3CCCCO3)c(F)c2)CC1 ZINC000433376891 979263213 /nfs/dbraw/zinc/26/32/13/979263213.db2.gz ONKPYHHYZVGIKE-WIYYLYMNSA-N 2 1 408.558 3.925 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1)C(C)C ZINC000433541332 979368496 /nfs/dbraw/zinc/36/84/96/979368496.db2.gz XTVZHTMAIWAWBY-UHFFFAOYSA-N 2 1 414.638 3.548 20 0 HHADMP CC[C@H](C)c1ncc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000434519107 980224687 /nfs/dbraw/zinc/22/46/87/980224687.db2.gz WWAIDVUDHDZNNP-SFHVURJKSA-N 2 1 416.614 3.650 20 0 HHADMP O[C@H](COc1cccc(C(F)(F)F)c1)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434690606 980341974 /nfs/dbraw/zinc/34/19/74/980341974.db2.gz IPKBAHUXCIVKEX-IBGZPJMESA-N 2 1 423.479 3.858 20 0 HHADMP COc1cc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)cc1C ZINC000434900351 980480280 /nfs/dbraw/zinc/48/02/80/980480280.db2.gz DBLUULZTEVSXPT-UHFFFAOYSA-N 2 1 416.610 3.972 20 0 HHADMP Cc1cc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)n([C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000435092859 980633045 /nfs/dbraw/zinc/63/30/45/980633045.db2.gz ASYVPUXHCYVGED-RBBKRZOGSA-N 2 1 424.593 3.634 20 0 HHADMP Cc1cc(NC(=O)NCC[NH+]2CCCC[C@@H]2C)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435092859 980633050 /nfs/dbraw/zinc/63/30/50/980633050.db2.gz ASYVPUXHCYVGED-RBBKRZOGSA-N 2 1 424.593 3.634 20 0 HHADMP Cc1cc(NC(=O)NCC[NH+]2CCCC[C@@H]2C)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435092859 980633054 /nfs/dbraw/zinc/63/30/54/980633054.db2.gz ASYVPUXHCYVGED-RBBKRZOGSA-N 2 1 424.593 3.634 20 0 HHADMP CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000435747616 981014440 /nfs/dbraw/zinc/01/44/40/981014440.db2.gz AADQNZBZVHKRFJ-NRFANRHFSA-N 2 1 413.610 3.747 20 0 HHADMP CN(c1ccccc1)c1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cn1 ZINC000435791349 981033123 /nfs/dbraw/zinc/03/31/23/981033123.db2.gz OGZWQBBTPJWEFP-UHFFFAOYSA-N 2 1 402.542 3.972 20 0 HHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(I)c(Cl)c1 ZINC000436126435 981210896 /nfs/dbraw/zinc/21/08/96/981210896.db2.gz OLEJUVRQZREMLQ-UHFFFAOYSA-N 2 1 403.695 3.972 20 0 HHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(I)c(Cl)c1 ZINC000436126435 981210900 /nfs/dbraw/zinc/21/09/00/981210900.db2.gz OLEJUVRQZREMLQ-UHFFFAOYSA-N 2 1 403.695 3.972 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)c1 ZINC000436283189 981282885 /nfs/dbraw/zinc/28/28/85/981282885.db2.gz VOSSXSBBQLTSTC-GOTSBHOMSA-N 2 1 407.558 3.773 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000436284441 981283406 /nfs/dbraw/zinc/28/34/06/981283406.db2.gz ZOCJAMXRLQFYDZ-VWNXMTODSA-N 2 1 421.585 3.848 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000448205135 981617270 /nfs/dbraw/zinc/61/72/70/981617270.db2.gz NZLDJRFAAGTBIS-NYEZAAIKSA-N 2 1 422.617 3.840 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448205135 981617273 /nfs/dbraw/zinc/61/72/73/981617273.db2.gz NZLDJRFAAGTBIS-NYEZAAIKSA-N 2 1 422.617 3.840 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448205135 981617278 /nfs/dbraw/zinc/61/72/78/981617278.db2.gz NZLDJRFAAGTBIS-NYEZAAIKSA-N 2 1 422.617 3.840 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000448208013 981621490 /nfs/dbraw/zinc/62/14/90/981621490.db2.gz CXTQJFUACIWNCQ-HSZRJFAPSA-N 2 1 400.611 3.566 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)C1 ZINC000448365098 981726057 /nfs/dbraw/zinc/72/60/57/981726057.db2.gz HMVDPRRCKWLRGW-VQTJNVASSA-N 2 1 402.583 3.569 20 0 HHADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000448365098 981726061 /nfs/dbraw/zinc/72/60/61/981726061.db2.gz HMVDPRRCKWLRGW-VQTJNVASSA-N 2 1 402.583 3.569 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000448365098 981726066 /nfs/dbraw/zinc/72/60/66/981726066.db2.gz HMVDPRRCKWLRGW-VQTJNVASSA-N 2 1 402.583 3.569 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000448460555 981793976 /nfs/dbraw/zinc/79/39/76/981793976.db2.gz CTSVCKMCWCSVPX-UFYCRDLUSA-N 2 1 406.640 3.893 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)[C@@H](C)C1 ZINC000448464803 981798837 /nfs/dbraw/zinc/79/88/37/981798837.db2.gz GBZSIBCAHYRBRP-REWPJTCUSA-N 2 1 400.611 3.934 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000448475856 981819145 /nfs/dbraw/zinc/81/91/45/981819145.db2.gz WSIMCWXPAFJXGA-GMAHTHKFSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000448475856 981819157 /nfs/dbraw/zinc/81/91/57/981819157.db2.gz WSIMCWXPAFJXGA-GMAHTHKFSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000448475856 981819169 /nfs/dbraw/zinc/81/91/69/981819169.db2.gz WSIMCWXPAFJXGA-GMAHTHKFSA-N 2 1 400.611 3.660 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)[C@@H](C)C1 ZINC000448519300 981845409 /nfs/dbraw/zinc/84/54/09/981845409.db2.gz CUORAGNBGADUMG-PGRDOPGGSA-N 2 1 421.029 3.924 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000448520262 981848396 /nfs/dbraw/zinc/84/83/96/981848396.db2.gz IVCFJXBDVFNMIW-GZOXUSKESA-N 2 1 423.605 3.541 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000448520262 981848415 /nfs/dbraw/zinc/84/84/15/981848415.db2.gz IVCFJXBDVFNMIW-GZOXUSKESA-N 2 1 423.605 3.541 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)[C@@H](C)C1 ZINC000448521132 981849895 /nfs/dbraw/zinc/84/98/95/981849895.db2.gz NDXLWKGTFKTNFZ-PTLNGURQSA-N 2 1 400.611 3.515 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@@H](C)C1 ZINC000448521132 981849904 /nfs/dbraw/zinc/84/99/04/981849904.db2.gz NDXLWKGTFKTNFZ-PTLNGURQSA-N 2 1 400.611 3.515 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)[C@@H](C)C1 ZINC000448521132 981849918 /nfs/dbraw/zinc/84/99/18/981849918.db2.gz NDXLWKGTFKTNFZ-PTLNGURQSA-N 2 1 400.611 3.515 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000460171634 981943554 /nfs/dbraw/zinc/94/35/54/981943554.db2.gz XBOGKMBPXIFDQY-JRFVFWCSSA-N 2 1 412.622 3.662 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000460171634 981943564 /nfs/dbraw/zinc/94/35/64/981943564.db2.gz XBOGKMBPXIFDQY-JRFVFWCSSA-N 2 1 412.622 3.662 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000460171634 981943576 /nfs/dbraw/zinc/94/35/76/981943576.db2.gz XBOGKMBPXIFDQY-JRFVFWCSSA-N 2 1 412.622 3.662 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000460171636 981943970 /nfs/dbraw/zinc/94/39/70/981943970.db2.gz XBOGKMBPXIFDQY-NHTMILBNSA-N 2 1 412.622 3.662 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000460171636 981943976 /nfs/dbraw/zinc/94/39/76/981943976.db2.gz XBOGKMBPXIFDQY-NHTMILBNSA-N 2 1 412.622 3.662 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000460171636 981943977 /nfs/dbraw/zinc/94/39/77/981943977.db2.gz XBOGKMBPXIFDQY-NHTMILBNSA-N 2 1 412.622 3.662 20 0 HHADMP CCOC(=O)c1ccc(NC(=O)C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000460362089 982136467 /nfs/dbraw/zinc/13/64/67/982136467.db2.gz JQZOYXGNQHGEAR-RTBURBONSA-N 2 1 423.557 3.548 20 0 HHADMP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460411772 982195545 /nfs/dbraw/zinc/19/55/45/982195545.db2.gz ZZPCAEVNFWPCTH-PKTZIBPZSA-N 2 1 424.633 3.947 20 0 HHADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000437634696 982255005 /nfs/dbraw/zinc/25/50/05/982255005.db2.gz MPUJVGXGXTVSLS-QHCPKHFHSA-N 2 1 416.585 3.886 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(Br)c1 ZINC000437675991 982290303 /nfs/dbraw/zinc/29/03/03/982290303.db2.gz SLQSCTDIRSUQIU-QGZVFWFLSA-N 2 1 411.388 3.637 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(OC)cc1C(F)(F)F ZINC000437732769 982325063 /nfs/dbraw/zinc/32/50/63/982325063.db2.gz FLYYLBXQHGPHJQ-OAHLLOKOSA-N 2 1 416.488 3.594 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000437772639 982347197 /nfs/dbraw/zinc/34/71/97/982347197.db2.gz KGCHNHMNKKDLHE-ZWKOTPCHSA-N 2 1 413.484 3.558 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000460561291 982347307 /nfs/dbraw/zinc/34/73/07/982347307.db2.gz WCNXQFZYSOKQDH-QORCZRPOSA-N 2 1 418.585 3.595 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000460561291 982347312 /nfs/dbraw/zinc/34/73/12/982347312.db2.gz WCNXQFZYSOKQDH-QORCZRPOSA-N 2 1 418.585 3.595 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000460561291 982347317 /nfs/dbraw/zinc/34/73/17/982347317.db2.gz WCNXQFZYSOKQDH-QORCZRPOSA-N 2 1 418.585 3.595 20 0 HHADMP C[NH+]1CCC(N(Cc2ccco2)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000438348440 982737163 /nfs/dbraw/zinc/73/71/63/982737163.db2.gz XLWIKHURNJUQQJ-OAQYLSRUSA-N 2 1 402.583 3.683 20 0 HHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2C[C@@H](O)CN2Cc2ccccc2)CC1 ZINC000438833577 983103752 /nfs/dbraw/zinc/10/37/52/983103752.db2.gz XUHBPXZAJVLESD-WNZNVHFWSA-N 2 1 407.602 3.655 20 0 HHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000439076381 983239312 /nfs/dbraw/zinc/23/93/12/983239312.db2.gz JDQQXTOEIKCYHO-MSOLQXFVSA-N 2 1 411.546 3.725 20 0 HHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000439076381 983239319 /nfs/dbraw/zinc/23/93/19/983239319.db2.gz JDQQXTOEIKCYHO-MSOLQXFVSA-N 2 1 411.546 3.725 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000439230503 983320773 /nfs/dbraw/zinc/32/07/73/983320773.db2.gz SAOLMVHWKIZKHE-UYAOXDASSA-N 2 1 400.592 3.657 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000439756936 983526570 /nfs/dbraw/zinc/52/65/70/983526570.db2.gz MHWIRZRWXYTKCW-SIKLNZKXSA-N 2 1 424.564 3.775 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000439765063 983529517 /nfs/dbraw/zinc/52/95/17/983529517.db2.gz DRKCYOLPWHJVDG-NFBKMPQASA-N 2 1 406.574 3.635 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000439765067 983529603 /nfs/dbraw/zinc/52/96/03/983529603.db2.gz DRKCYOLPWHJVDG-OFNKIYASSA-N 2 1 406.574 3.635 20 0 HHADMP C[C@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441072107 984056170 /nfs/dbraw/zinc/05/61/70/984056170.db2.gz SALUYFFGHPQJSN-DCFHFQCYSA-N 2 1 417.597 3.808 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCC(=O)Nc1c(Cl)cccc1Cl ZINC000441252901 984139600 /nfs/dbraw/zinc/13/96/00/984139600.db2.gz GZYDKDGXHWNTGZ-XYPHTWIQSA-N 2 1 400.350 3.506 20 0 HHADMP C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)CC[C@@H]1CCCC[NH+]1C ZINC000441356760 984204808 /nfs/dbraw/zinc/20/48/08/984204808.db2.gz MBGUYFCAUKGXDA-HNNXBMFYSA-N 2 1 400.336 3.723 20 0 HHADMP C[NH+](CCC(=O)Nc1ccc(Br)cc1F)CC[C@@H]1CCCC[N@@H+]1C ZINC000441356760 984204812 /nfs/dbraw/zinc/20/48/12/984204812.db2.gz MBGUYFCAUKGXDA-HNNXBMFYSA-N 2 1 400.336 3.723 20 0 HHADMP C[NH+](CCC(=O)Nc1ccc(Br)cc1F)CC[C@@H]1CCCC[N@H+]1C ZINC000441356760 984204815 /nfs/dbraw/zinc/20/48/15/984204815.db2.gz MBGUYFCAUKGXDA-HNNXBMFYSA-N 2 1 400.336 3.723 20 0 HHADMP COc1cc(OC)cc(Oc2ccc(C[NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)cc2)c1 ZINC000441389418 984225723 /nfs/dbraw/zinc/22/57/23/984225723.db2.gz ZKZUCCMTGTXLMM-UHFFFAOYSA-N 2 1 413.562 3.612 20 0 HHADMP C[N@@H+](C[C@H](O)CO[C@H]1CCCc2ccccc21)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000441630214 984364239 /nfs/dbraw/zinc/36/42/39/984364239.db2.gz XULSZRPVAFZLKK-CWDLOFLHSA-N 2 1 408.586 3.895 20 0 HHADMP C[NH+](C[C@H](O)CO[C@H]1CCCc2ccccc21)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000441630214 984364246 /nfs/dbraw/zinc/36/42/46/984364246.db2.gz XULSZRPVAFZLKK-CWDLOFLHSA-N 2 1 408.586 3.895 20 0 HHADMP C[NH+](C[C@H](O)CO[C@H]1CCCc2ccccc21)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000441630214 984364252 /nfs/dbraw/zinc/36/42/52/984364252.db2.gz XULSZRPVAFZLKK-CWDLOFLHSA-N 2 1 408.586 3.895 20 0 HHADMP CC1CC[NH+]([C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)c2cccs2)CC1 ZINC000461736049 984749618 /nfs/dbraw/zinc/74/96/18/984749618.db2.gz KDDBROYJZVWMHE-IBGZPJMESA-N 2 1 402.564 3.535 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000461912209 984927041 /nfs/dbraw/zinc/92/70/41/984927041.db2.gz WHDPITPLKKLFEE-RTBURBONSA-N 2 1 410.562 3.678 20 0 HHADMP CCCN(CC[NH+](CC)CC)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000461990646 984973247 /nfs/dbraw/zinc/97/32/47/984973247.db2.gz GILPNWZWHFRALK-NOTZXAQLSA-N 2 1 400.611 3.945 20 0 HHADMP COCC[NH+]1CCC([NH2+][C@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)CC1 ZINC000462039754 985014982 /nfs/dbraw/zinc/01/49/82/985014982.db2.gz OQPLLPSCBJTGTM-HSZRJFAPSA-N 2 1 412.574 3.996 20 0 HHADMP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000462126106 985096281 /nfs/dbraw/zinc/09/62/81/985096281.db2.gz MTTIHNXRYHMDSI-FPOVZHCZSA-N 2 1 400.592 3.692 20 0 HHADMP CCCN(CC[NH+](CC)CC)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000462135428 985105866 /nfs/dbraw/zinc/10/58/66/985105866.db2.gz CEZHAKCCSNZIEL-UHFFFAOYSA-N 2 1 410.553 3.693 20 0 HHADMP C[N@H+]1CCN(CC[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1(C)C ZINC000442869690 985252710 /nfs/dbraw/zinc/25/27/10/985252710.db2.gz FAQYJGJHSSZLPT-NRFANRHFSA-N 2 1 403.517 3.993 20 0 HHADMP COCCC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Br)cc1 ZINC000442871882 985253325 /nfs/dbraw/zinc/25/33/25/985253325.db2.gz IPYNETYQDCCLOB-IBGZPJMESA-N 2 1 412.416 3.532 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1F ZINC000462307177 985292861 /nfs/dbraw/zinc/29/28/61/985292861.db2.gz DOZVUAXCBJBLRD-JTSKRJEESA-N 2 1 421.520 3.640 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1F ZINC000462307177 985292869 /nfs/dbraw/zinc/29/28/69/985292869.db2.gz DOZVUAXCBJBLRD-JTSKRJEESA-N 2 1 421.520 3.640 20 0 HHADMP C[C@H](NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C(C)(C)C[NH+](C)C ZINC000443234609 985455702 /nfs/dbraw/zinc/45/57/02/985455702.db2.gz APJCULLSCFALCU-GBXCKJPGSA-N 2 1 400.611 3.660 20 0 HHADMP Cc1ccc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(OCC[NH+](C)C)c1 ZINC000467923667 985556962 /nfs/dbraw/zinc/55/69/62/985556962.db2.gz YRVNOTAVJGKDTA-SZPZYZBQSA-N 2 1 422.573 3.531 20 0 HHADMP CCN(C(=O)CC1([NH+]2CCOCC2)CCCC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000467980525 985625543 /nfs/dbraw/zinc/62/55/43/985625543.db2.gz ZCIXFDIJGGGPMO-FYYLOGMGSA-N 2 1 413.606 3.706 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000462738875 985681680 /nfs/dbraw/zinc/68/16/80/985681680.db2.gz MAENWTQMGOLGRC-WWNPGLIZSA-N 2 1 400.611 3.803 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000462738875 985681688 /nfs/dbraw/zinc/68/16/88/985681688.db2.gz MAENWTQMGOLGRC-WWNPGLIZSA-N 2 1 400.611 3.803 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000462738875 985681691 /nfs/dbraw/zinc/68/16/91/985681691.db2.gz MAENWTQMGOLGRC-WWNPGLIZSA-N 2 1 400.611 3.803 20 0 HHADMP CC(=O)N1CC[NH+](CCOc2ccc(CC[NH2+]C3CCC(C(C)C)CC3)cc2)CC1 ZINC000462771586 985707762 /nfs/dbraw/zinc/70/77/62/985707762.db2.gz GCNSKSMXGABOSR-UHFFFAOYSA-N 2 1 415.622 3.576 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N(C)[C@@H]3CC[NH+](C)C[C@H]3C)cc2)C1 ZINC000443636094 985819379 /nfs/dbraw/zinc/81/93/79/985819379.db2.gz BJBJXKZNYHWKFP-VLVHOKLOSA-N 2 1 400.611 3.646 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)[C@@H]3CC[N@H+](C)C[C@H]3C)cc2)C1 ZINC000443636094 985819396 /nfs/dbraw/zinc/81/93/96/985819396.db2.gz BJBJXKZNYHWKFP-VLVHOKLOSA-N 2 1 400.611 3.646 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@H]3C)cc2)C1 ZINC000443636094 985819405 /nfs/dbraw/zinc/81/94/05/985819405.db2.gz BJBJXKZNYHWKFP-VLVHOKLOSA-N 2 1 400.611 3.646 20 0 HHADMP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463076530 986033613 /nfs/dbraw/zinc/03/36/13/986033613.db2.gz BPSDMZOHTRCFHL-DENIHFKCSA-N 2 1 415.603 3.516 20 0 HHADMP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463076530 986033626 /nfs/dbraw/zinc/03/36/26/986033626.db2.gz BPSDMZOHTRCFHL-DENIHFKCSA-N 2 1 415.603 3.516 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000463112852 986074855 /nfs/dbraw/zinc/07/48/55/986074855.db2.gz MNGJQNQZYWPBFS-CNNODRBYSA-N 2 1 415.603 3.641 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000463112852 986074868 /nfs/dbraw/zinc/07/48/68/986074868.db2.gz MNGJQNQZYWPBFS-CNNODRBYSA-N 2 1 415.603 3.641 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)CCc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463193633 986165790 /nfs/dbraw/zinc/16/57/90/986165790.db2.gz RZLSULZIIMUBSZ-ZODMCCGTSA-N 2 1 405.586 3.863 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)CCc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463193633 986165795 /nfs/dbraw/zinc/16/57/95/986165795.db2.gz RZLSULZIIMUBSZ-ZODMCCGTSA-N 2 1 405.586 3.863 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463235120 986203937 /nfs/dbraw/zinc/20/39/37/986203937.db2.gz GIUKIQRJSHIUIE-AHRSYUTCSA-N 2 1 406.492 3.898 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000463235120 986203950 /nfs/dbraw/zinc/20/39/50/986203950.db2.gz GIUKIQRJSHIUIE-AHRSYUTCSA-N 2 1 406.492 3.898 20 0 HHADMP OC[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)Cc1ccc(F)c(F)c1 ZINC000463246266 986214753 /nfs/dbraw/zinc/21/47/53/986214753.db2.gz VNLKYUUYCROKGX-LJQANCHMSA-N 2 1 406.492 3.552 20 0 HHADMP Cc1cc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)on1 ZINC000463276402 986243150 /nfs/dbraw/zinc/24/31/50/986243150.db2.gz YQIDCRPZXSDBQA-GBAJDQEWSA-N 2 1 400.542 3.538 20 0 HHADMP Cc1cc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)on1 ZINC000463276402 986243157 /nfs/dbraw/zinc/24/31/57/986243157.db2.gz YQIDCRPZXSDBQA-GBAJDQEWSA-N 2 1 400.542 3.538 20 0 HHADMP Fc1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)N2CCOCC2)cc1 ZINC000463303243 986270598 /nfs/dbraw/zinc/27/05/98/986270598.db2.gz QQFWESJJDOQJAU-SBZWWDHJSA-N 2 1 423.576 3.984 20 0 HHADMP C[C@H]1CCc2c(sc3nc(CC[N@H+](C)CC[C@@H]4CCCC[NH+]4C)nc(N)c23)C1 ZINC000444169448 986346191 /nfs/dbraw/zinc/34/61/91/986346191.db2.gz KFJJWEMLTNROPC-HOTGVXAUSA-N 2 1 401.624 3.747 20 0 HHADMP C[C@H]1CCc2c(sc3nc(CC[N@@H+](C)CC[C@@H]4CCCC[NH+]4C)nc(N)c23)C1 ZINC000444169448 986346195 /nfs/dbraw/zinc/34/61/95/986346195.db2.gz KFJJWEMLTNROPC-HOTGVXAUSA-N 2 1 401.624 3.747 20 0 HHADMP C[C@H]1CCc2c(sc3nc(CC[NH+](C)CC[C@@H]4CCCC[N@@H+]4C)nc(N)c23)C1 ZINC000444169448 986346204 /nfs/dbraw/zinc/34/62/04/986346204.db2.gz KFJJWEMLTNROPC-HOTGVXAUSA-N 2 1 401.624 3.747 20 0 HHADMP C[C@H]1CCc2c(sc3nc(CC[NH+](C)CC[C@@H]4CCCC[N@H+]4C)nc(N)c23)C1 ZINC000444169448 986346210 /nfs/dbraw/zinc/34/62/10/986346210.db2.gz KFJJWEMLTNROPC-HOTGVXAUSA-N 2 1 401.624 3.747 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000444337201 986515639 /nfs/dbraw/zinc/51/56/39/986515639.db2.gz LLZSVBSPJIFRDF-JPYJTQIMSA-N 2 1 405.546 3.714 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]C2CCC(C(F)(F)F)CC2)c1 ZINC000463555848 986532612 /nfs/dbraw/zinc/53/26/12/986532612.db2.gz HCMXWRNYKRWGOI-UHFFFAOYSA-N 2 1 413.484 3.558 20 0 HHADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000468903776 986611126 /nfs/dbraw/zinc/61/11/26/986611126.db2.gz HXUJIDFBLPLQQQ-RDJZCZTQSA-N 2 1 411.456 3.770 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000468903776 986611132 /nfs/dbraw/zinc/61/11/32/986611132.db2.gz HXUJIDFBLPLQQQ-RDJZCZTQSA-N 2 1 411.456 3.770 20 0 HHADMP Cc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1NC(=O)CC[NH+](C)C ZINC000469031701 986742377 /nfs/dbraw/zinc/74/23/77/986742377.db2.gz QHYSKYFGAZMROC-HSZRJFAPSA-N 2 1 422.573 3.878 20 0 HHADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000469115431 986830955 /nfs/dbraw/zinc/83/09/55/986830955.db2.gz YTHQXWSJCZCGDE-INMHGKMJSA-N 2 1 403.477 3.682 20 0 HHADMP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000444782860 986939084 /nfs/dbraw/zinc/93/90/84/986939084.db2.gz RMPNSPLANKWELR-PMACEKPBSA-N 2 1 407.480 3.997 20 0 HHADMP CCC[N@H+](CCOCC(F)(F)C(F)(F)F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000469720743 987373509 /nfs/dbraw/zinc/37/35/09/987373509.db2.gz KRPGVCYLTAREBA-UHFFFAOYSA-N 2 1 424.458 3.988 20 0 HHADMP CCC[N@@H+](CCOCC(F)(F)C(F)(F)F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000469720743 987373515 /nfs/dbraw/zinc/37/35/15/987373515.db2.gz KRPGVCYLTAREBA-UHFFFAOYSA-N 2 1 424.458 3.988 20 0 HHADMP CC(C)Oc1cccc(CNC(=O)C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c1 ZINC000469759725 987413568 /nfs/dbraw/zinc/41/35/68/987413568.db2.gz CHUHOTVUJUJCSJ-NHCUHLMSSA-N 2 1 423.601 3.836 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(I)cc2)[C@H](C)C1 ZINC000469761596 987415137 /nfs/dbraw/zinc/41/51/37/987415137.db2.gz AOJCYXCFGXFKNA-QAPCUYQASA-N 2 1 416.347 3.518 20 0 HHADMP COc1ccccc1[C@H](C)N(C)C(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000469764594 987417108 /nfs/dbraw/zinc/41/71/08/987417108.db2.gz OQXIUPKTEAUYOK-KKPNIWNPSA-N 2 1 423.601 3.961 20 0 HHADMP COc1ccccc1[C@H](C)N(C)C(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000469764594 987417111 /nfs/dbraw/zinc/41/71/11/987417111.db2.gz OQXIUPKTEAUYOK-KKPNIWNPSA-N 2 1 423.601 3.961 20 0 HHADMP CCOCc1ccccc1CNC(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000469787009 987432311 /nfs/dbraw/zinc/43/23/11/987432311.db2.gz MSXYZNRLXOLQPZ-NHCUHLMSSA-N 2 1 423.601 3.586 20 0 HHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470281505 988236201 /nfs/dbraw/zinc/23/62/01/988236201.db2.gz YJUKZMQLBHQPPF-OALUTQOASA-N 2 1 414.516 3.824 20 0 HHADMP CC(C)[NH+](CCCNC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000470472492 988460414 /nfs/dbraw/zinc/46/04/14/988460414.db2.gz GOBUWCDXNRYQJE-OYRHEFFESA-N 2 1 418.626 3.604 20 0 HHADMP CN(C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470739212 988777111 /nfs/dbraw/zinc/77/71/11/988777111.db2.gz YVDLOCVXPZMXKE-YADHBBJMSA-N 2 1 410.562 3.723 20 0 HHADMP COc1cccc([C@@H](CNC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)c1 ZINC000470739840 988777950 /nfs/dbraw/zinc/77/79/50/988777950.db2.gz FZPOZZCUVJEEPB-ISKFKSNPSA-N 2 1 424.589 3.604 20 0 HHADMP Cn1ccnc1COc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000470994157 989059532 /nfs/dbraw/zinc/05/95/32/989059532.db2.gz LPCSHGPIGHODSW-ZRZAMGCNSA-N 2 1 402.542 3.563 20 0 HHADMP Cn1ccnc1COc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000470994157 989059537 /nfs/dbraw/zinc/05/95/37/989059537.db2.gz LPCSHGPIGHODSW-ZRZAMGCNSA-N 2 1 402.542 3.563 20 0 HHADMP Cn1ccnc1COc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000470994157 989059544 /nfs/dbraw/zinc/05/95/44/989059544.db2.gz LPCSHGPIGHODSW-ZRZAMGCNSA-N 2 1 402.542 3.563 20 0 HHADMP Cn1ccnc1COc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000470994157 989059550 /nfs/dbraw/zinc/05/95/50/989059550.db2.gz LPCSHGPIGHODSW-ZRZAMGCNSA-N 2 1 402.542 3.563 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000464825397 989063471 /nfs/dbraw/zinc/06/34/71/989063471.db2.gz WVHJCJMBAJWOJA-NRFANRHFSA-N 2 1 400.611 3.696 20 0 HHADMP COC(=O)c1ccc(OCC[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c(Cl)c1 ZINC000464859586 989113996 /nfs/dbraw/zinc/11/39/96/989113996.db2.gz YLEQELYBXSGCSP-IBGZPJMESA-N 2 1 416.949 3.959 20 0 HHADMP COC(=O)c1ccc(OCC[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c(Cl)c1 ZINC000464859586 989114000 /nfs/dbraw/zinc/11/40/00/989114000.db2.gz YLEQELYBXSGCSP-IBGZPJMESA-N 2 1 416.949 3.959 20 0 HHADMP COC(=O)c1ccc(OCC[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000464859586 989114012 /nfs/dbraw/zinc/11/40/12/989114012.db2.gz YLEQELYBXSGCSP-IBGZPJMESA-N 2 1 416.949 3.959 20 0 HHADMP COC(=O)c1ccc(OCC[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000464859586 989114018 /nfs/dbraw/zinc/11/40/18/989114018.db2.gz YLEQELYBXSGCSP-IBGZPJMESA-N 2 1 416.949 3.959 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000471041970 989119160 /nfs/dbraw/zinc/11/91/60/989119160.db2.gz FYJPVILYRQPOGG-AWEZNQCLSA-N 2 1 400.336 3.581 20 0 HHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000471041970 989119164 /nfs/dbraw/zinc/11/91/64/989119164.db2.gz FYJPVILYRQPOGG-AWEZNQCLSA-N 2 1 400.336 3.581 20 0 HHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000471041970 989119169 /nfs/dbraw/zinc/11/91/69/989119169.db2.gz FYJPVILYRQPOGG-AWEZNQCLSA-N 2 1 400.336 3.581 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000464940675 989228843 /nfs/dbraw/zinc/22/88/43/989228843.db2.gz DJXMBGRUULCJAK-HXUWFJFHSA-N 2 1 421.029 3.829 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000465010363 989326085 /nfs/dbraw/zinc/32/60/85/989326085.db2.gz NWHRCRANXMYSFW-LJQANCHMSA-N 2 1 407.002 3.582 20 0 HHADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000471296947 989457624 /nfs/dbraw/zinc/45/76/24/989457624.db2.gz IPMVNTXRPUDXAV-VWNXMTODSA-N 2 1 409.549 3.819 20 0 HHADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000471296947 989457628 /nfs/dbraw/zinc/45/76/28/989457628.db2.gz IPMVNTXRPUDXAV-VWNXMTODSA-N 2 1 409.549 3.819 20 0 HHADMP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000471296947 989457631 /nfs/dbraw/zinc/45/76/31/989457631.db2.gz IPMVNTXRPUDXAV-VWNXMTODSA-N 2 1 409.549 3.819 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000471296947 989457634 /nfs/dbraw/zinc/45/76/34/989457634.db2.gz IPMVNTXRPUDXAV-VWNXMTODSA-N 2 1 409.549 3.819 20 0 HHADMP CC[C@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471564031 989765144 /nfs/dbraw/zinc/76/51/44/989765144.db2.gz RANRYZUIPFSCRX-XZOQPEGZSA-N 2 1 410.562 3.549 20 0 HHADMP CC[C@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471564031 989765155 /nfs/dbraw/zinc/76/51/55/989765155.db2.gz RANRYZUIPFSCRX-XZOQPEGZSA-N 2 1 410.562 3.549 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000465425852 989769585 /nfs/dbraw/zinc/76/95/85/989769585.db2.gz BZODTCGPBKYXDR-QFBILLFUSA-N 2 1 414.516 3.824 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465429443 989774311 /nfs/dbraw/zinc/77/43/11/989774311.db2.gz NSHROEFOTLANPM-JWQCQUIFSA-N 2 1 420.601 3.815 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000465429443 989774316 /nfs/dbraw/zinc/77/43/16/989774316.db2.gz NSHROEFOTLANPM-JWQCQUIFSA-N 2 1 420.601 3.815 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000465429443 989774320 /nfs/dbraw/zinc/77/43/20/989774320.db2.gz NSHROEFOTLANPM-JWQCQUIFSA-N 2 1 420.601 3.815 20 0 HHADMP CC1CC[NH+]([C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c2cccs2)CC1 ZINC000465433167 989779441 /nfs/dbraw/zinc/77/94/41/989779441.db2.gz MMPJQOSJAHKPDJ-NXEWRWPSSA-N 2 1 404.624 3.836 20 0 HHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000471596822 989799812 /nfs/dbraw/zinc/79/98/12/989799812.db2.gz MIRQYCDPQHQWOO-PLQXJYEYSA-N 2 1 420.601 3.802 20 0 HHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000465570477 989938888 /nfs/dbraw/zinc/93/88/88/989938888.db2.gz JDQXTOQHZHGSPB-HSZRJFAPSA-N 2 1 400.611 3.934 20 0 HHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000465570478 989939271 /nfs/dbraw/zinc/93/92/71/989939271.db2.gz JDQXTOQHZHGSPB-QHCPKHFHSA-N 2 1 400.611 3.934 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000471805571 989988717 /nfs/dbraw/zinc/98/87/17/989988717.db2.gz SUCOQTKFCYDMKO-FGZHOGPDSA-N 2 1 410.562 3.546 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000465609379 989992032 /nfs/dbraw/zinc/99/20/32/989992032.db2.gz UFQFGHITXLLGSU-PZJWPPBQSA-N 2 1 406.640 3.942 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465613873 989999582 /nfs/dbraw/zinc/99/95/82/989999582.db2.gz ZRZHCCYOOYCPDA-JTHBVZDNSA-N 2 1 400.611 3.662 20 0 HHADMP C[C@H]1CCC[NH+](CCCCNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465613873 989999588 /nfs/dbraw/zinc/99/95/88/989999588.db2.gz ZRZHCCYOOYCPDA-JTHBVZDNSA-N 2 1 400.611 3.662 20 0 HHADMP C[C@H]1CCC[NH+](CCCCNC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465613873 989999590 /nfs/dbraw/zinc/99/95/90/989999590.db2.gz ZRZHCCYOOYCPDA-JTHBVZDNSA-N 2 1 400.611 3.662 20 0 HHADMP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000465632749 990018875 /nfs/dbraw/zinc/01/88/75/990018875.db2.gz LRFBXEJYDUHGFI-HXUWFJFHSA-N 2 1 412.578 3.975 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000465632749 990018880 /nfs/dbraw/zinc/01/88/80/990018880.db2.gz LRFBXEJYDUHGFI-HXUWFJFHSA-N 2 1 412.578 3.975 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000465632749 990018889 /nfs/dbraw/zinc/01/88/89/990018889.db2.gz LRFBXEJYDUHGFI-HXUWFJFHSA-N 2 1 412.578 3.975 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000465632749 990018899 /nfs/dbraw/zinc/01/88/99/990018899.db2.gz LRFBXEJYDUHGFI-HXUWFJFHSA-N 2 1 412.578 3.975 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[NH+]1CCCCC1 ZINC000465680882 990065685 /nfs/dbraw/zinc/06/56/85/990065685.db2.gz GALLJYHJHMMBSH-RKKYOWQMSA-N 2 1 414.594 3.537 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(F)cc1 ZINC000465696986 990082939 /nfs/dbraw/zinc/08/29/39/990082939.db2.gz UGINMDCKIVNZCT-DSKINZAPSA-N 2 1 418.582 3.872 20 0 HHADMP C[C@H](OC1CCCCCC1)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000471931091 990097355 /nfs/dbraw/zinc/09/73/55/990097355.db2.gz RCCKRVKBEFRTFT-FQEVSTJZSA-N 2 1 407.643 3.769 20 0 HHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465737788 990123531 /nfs/dbraw/zinc/12/35/31/990123531.db2.gz OIBZSXPSSFKXNJ-KGSLCBSSSA-N 2 1 400.611 3.516 20 0 HHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000465737788 990123533 /nfs/dbraw/zinc/12/35/33/990123533.db2.gz OIBZSXPSSFKXNJ-KGSLCBSSSA-N 2 1 400.611 3.516 20 0 HHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000465737788 990123543 /nfs/dbraw/zinc/12/35/43/990123543.db2.gz OIBZSXPSSFKXNJ-KGSLCBSSSA-N 2 1 400.611 3.516 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465753855 990140043 /nfs/dbraw/zinc/14/00/43/990140043.db2.gz KUGNDUZNKYXROR-MQSCRBSSSA-N 2 1 414.638 3.906 20 0 HHADMP C[N@@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCc3sccc3C2)[C@H]1c1cccs1 ZINC000465757209 990142557 /nfs/dbraw/zinc/14/25/57/990142557.db2.gz PMMCUENDNKLBAK-JXFKEZNVSA-N 2 1 418.632 3.550 20 0 HHADMP C[N@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCc3sccc3C2)[C@H]1c1cccs1 ZINC000465757209 990142562 /nfs/dbraw/zinc/14/25/62/990142562.db2.gz PMMCUENDNKLBAK-JXFKEZNVSA-N 2 1 418.632 3.550 20 0 HHADMP C[NH+]1CCC[C@@H](CNC(=O)NCC[N@@H+]2CCc3sccc3C2)[C@H]1c1cccs1 ZINC000465757209 990142566 /nfs/dbraw/zinc/14/25/66/990142566.db2.gz PMMCUENDNKLBAK-JXFKEZNVSA-N 2 1 418.632 3.550 20 0 HHADMP C[NH+]1CCC[C@@H](CNC(=O)NCC[N@H+]2CCc3sccc3C2)[C@H]1c1cccs1 ZINC000465757209 990142569 /nfs/dbraw/zinc/14/25/69/990142569.db2.gz PMMCUENDNKLBAK-JXFKEZNVSA-N 2 1 418.632 3.550 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000465820541 990203430 /nfs/dbraw/zinc/20/34/30/990203430.db2.gz XWPIDDUSNUAZJM-DHIUTWEWSA-N 2 1 424.589 3.888 20 0 HHADMP CCN(CCC[NH+]1CCCC1)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000472059329 990223192 /nfs/dbraw/zinc/22/31/92/990223192.db2.gz USQOKSWSUPOSQS-GGAORHGYSA-N 2 1 400.611 3.805 20 0 HHADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C1 ZINC000465896419 991022892 /nfs/dbraw/zinc/02/28/92/991022892.db2.gz UTQZXIAWHFTDFK-HXUWFJFHSA-N 2 1 412.578 3.831 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C1 ZINC000465896419 991022896 /nfs/dbraw/zinc/02/28/96/991022896.db2.gz UTQZXIAWHFTDFK-HXUWFJFHSA-N 2 1 412.578 3.831 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C1 ZINC000465896419 991022905 /nfs/dbraw/zinc/02/29/05/991022905.db2.gz UTQZXIAWHFTDFK-HXUWFJFHSA-N 2 1 412.578 3.831 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000465896419 991022916 /nfs/dbraw/zinc/02/29/16/991022916.db2.gz UTQZXIAWHFTDFK-HXUWFJFHSA-N 2 1 412.578 3.831 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC[N@H+]1C ZINC000465913948 991046024 /nfs/dbraw/zinc/04/60/24/991046024.db2.gz YNDHWCWLTFMXRD-YLJYHZDGSA-N 2 1 407.002 3.676 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000466092309 991270944 /nfs/dbraw/zinc/27/09/44/991270944.db2.gz LATYQVBTDLXZHY-QHCPKHFHSA-N 2 1 400.611 3.662 20 0 HHADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000466215527 991426736 /nfs/dbraw/zinc/42/67/36/991426736.db2.gz GJSHKGGAMBPOHR-UUOWRZLLSA-N 2 1 406.574 3.697 20 0 HHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466292545 991542847 /nfs/dbraw/zinc/54/28/47/991542847.db2.gz BPUSNZJOGGEAGK-HXUWFJFHSA-N 2 1 402.583 3.793 20 0 HHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466299160 991550950 /nfs/dbraw/zinc/55/09/50/991550950.db2.gz SJYUFXKSZVDTGP-FQEVSTJZSA-N 2 1 406.640 3.866 20 0 HHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cncc(Br)c3)CC2)cs1 ZINC000466373619 991651553 /nfs/dbraw/zinc/65/15/53/991651553.db2.gz NPEPGWMDIFJWKK-UHFFFAOYSA-N 2 1 409.397 3.865 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[N@H+]1Cc1ccccc1 ZINC000466400987 991694456 /nfs/dbraw/zinc/69/44/56/991694456.db2.gz XOUCBBYPDNSRMM-GBXCKJPGSA-N 2 1 406.574 3.745 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000466530742 991829297 /nfs/dbraw/zinc/82/92/97/991829297.db2.gz RRIJTJXXWDPZBD-ZJSXRUAMSA-N 2 1 420.601 3.955 20 0 HHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000466535604 991836859 /nfs/dbraw/zinc/83/68/59/991836859.db2.gz GSIPPHHJZFMKKV-RDPSFJRHSA-N 2 1 408.590 3.943 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NCc2ccc(CC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000466783726 992091232 /nfs/dbraw/zinc/09/12/32/992091232.db2.gz ZQVQVALMZYVVKJ-HYBUGGRVSA-N 2 1 408.590 3.643 20 0 HHADMP C[C@H]1C[C@H](CCNC(=O)NCc2ccc(CC[NH+](C)C)cc2)C[N@H+]1Cc1ccccc1 ZINC000467089122 992394918 /nfs/dbraw/zinc/39/49/18/992394918.db2.gz CDCCVLITFFGNTR-OFVILXPXSA-N 2 1 422.617 3.891 20 0 HHADMP C[NH+](C)CCc1ccc(CNC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1 ZINC000467093643 992399208 /nfs/dbraw/zinc/39/92/08/992399208.db2.gz HHWPUUFHMCMKQD-UHFFFAOYSA-N 2 1 422.617 3.641 20 0 HHADMP O=C(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)N[C@H](c1ccccc1)C1CCCC1 ZINC000467207908 992533350 /nfs/dbraw/zinc/53/33/50/992533350.db2.gz QLOJFNIRLYQZEJ-RUZDIDTESA-N 2 1 413.606 3.611 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)c1)C1CCOCC1 ZINC000467347288 992667704 /nfs/dbraw/zinc/66/77/04/992667704.db2.gz NVRWYAAFKBQVON-XMMPIXPASA-N 2 1 413.537 3.951 20 0 HHADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000467354628 992673665 /nfs/dbraw/zinc/67/36/65/992673665.db2.gz NDBXOQVHSAPDSM-WXFUMESZSA-N 2 1 420.601 3.903 20 0 HHADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000467360469 992678910 /nfs/dbraw/zinc/67/89/10/992678910.db2.gz XZSXSBVORMGCSS-PKTZIBPZSA-N 2 1 406.574 3.594 20 0 HHADMP C[C@@H]1[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC(=O)N1Cc1ccccc1 ZINC000467436586 992734383 /nfs/dbraw/zinc/73/43/83/992734383.db2.gz XYINXXNTRBTZFM-WAKWQXKPSA-N 2 1 403.570 3.961 20 0 HHADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](Cc2ccccc2Br)c2ccc(F)cc2)C1 ZINC000467633171 992897304 /nfs/dbraw/zinc/89/73/04/992897304.db2.gz ATCBPEUTTHUZCJ-PMACEKPBSA-N 2 1 407.327 3.528 20 0 HHADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](Cc2ccccc2Br)c2ccc(F)cc2)C1 ZINC000467633171 992897315 /nfs/dbraw/zinc/89/73/15/992897315.db2.gz ATCBPEUTTHUZCJ-PMACEKPBSA-N 2 1 407.327 3.528 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C[N@H+]1Cc1ccccc1 ZINC000467690242 992946593 /nfs/dbraw/zinc/94/65/93/992946593.db2.gz CNFIYPVAQZIHAK-XXBNENTESA-N 2 1 409.599 3.628 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467836765 993068049 /nfs/dbraw/zinc/06/80/49/993068049.db2.gz RKYNDBSZWWGFGW-GOSISDBHSA-N 2 1 403.592 3.628 20 0 HHADMP Cc1cccc(N2CCC([NH2+][C@H](C)CCCCN3C(=O)c4ccccc4C3=O)CC2)[nH+]1 ZINC000472157867 993209314 /nfs/dbraw/zinc/20/93/14/993209314.db2.gz OQMVEXPHCBGMSR-GOSISDBHSA-N 2 1 420.557 3.803 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCSCc1ccccc1 ZINC000472260854 993285659 /nfs/dbraw/zinc/28/56/59/993285659.db2.gz JCAZUZPSNDVCKD-UHFFFAOYSA-N 2 1 417.663 3.965 20 0 HHADMP C[C@H](c1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000472330318 993339883 /nfs/dbraw/zinc/33/98/83/993339883.db2.gz UMHBARQZOMPWSY-SXSPYAJSSA-N 2 1 408.546 3.647 20 0 HHADMP C[C@H](c1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000472330318 993339889 /nfs/dbraw/zinc/33/98/89/993339889.db2.gz UMHBARQZOMPWSY-SXSPYAJSSA-N 2 1 408.546 3.647 20 0 HHADMP O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000480724541 993592177 /nfs/dbraw/zinc/59/21/77/993592177.db2.gz CEXRCSMWYTWVSC-NRFANRHFSA-N 2 1 424.589 3.567 20 0 HHADMP O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480724541 993592183 /nfs/dbraw/zinc/59/21/83/993592183.db2.gz CEXRCSMWYTWVSC-NRFANRHFSA-N 2 1 424.589 3.567 20 0 HHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000472670951 993596244 /nfs/dbraw/zinc/59/62/44/993596244.db2.gz ODXGAZRASNHYRV-QGZVFWFLSA-N 2 1 408.384 3.974 20 0 HHADMP CN(C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000472695766 993616620 /nfs/dbraw/zinc/61/66/20/993616620.db2.gz CYGRUSNJDLTYER-QFIPXVFZSA-N 2 1 410.562 3.755 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000480757913 993623817 /nfs/dbraw/zinc/62/38/17/993623817.db2.gz REMDZNYMRAMQOA-GOSISDBHSA-N 2 1 403.592 3.628 20 0 HHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000480779417 993646034 /nfs/dbraw/zinc/64/60/34/993646034.db2.gz KODJUDJDLOCLRR-OFVILXPXSA-N 2 1 420.601 3.843 20 0 HHADMP Cc1cccc([C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)N2CCOCC2)c1 ZINC000480780544 993647281 /nfs/dbraw/zinc/64/72/81/993647281.db2.gz QUMRUYGVYHDMHN-RCXJIHSJSA-N 2 1 407.602 3.869 20 0 HHADMP Cc1c([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)nnn1-c1ccccc1 ZINC000480792403 993661554 /nfs/dbraw/zinc/66/15/54/993661554.db2.gz BHRQBDPJGLQTOX-YKSBVNFPSA-N 2 1 418.589 3.605 20 0 HHADMP CC[NH+]1CCN(c2ccccc2NC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000472765199 993704641 /nfs/dbraw/zinc/70/46/41/993704641.db2.gz CFQDNHUYTMKDBB-NRFANRHFSA-N 2 1 423.605 3.861 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1cc2c(s1)CCC2 ZINC000480903916 993760630 /nfs/dbraw/zinc/76/06/30/993760630.db2.gz ATIFIXBVVQABCH-KRWDZBQOSA-N 2 1 413.587 3.748 20 0 HHADMP CCS[C@H]1CCCC[N@@H+](CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C1 ZINC000481023172 993866948 /nfs/dbraw/zinc/86/69/48/993866948.db2.gz XBQSDPDRXZXCMG-QFIPXVFZSA-N 2 1 403.636 3.637 20 0 HHADMP CCS[C@H]1CCCC[NH+](CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)C1 ZINC000481023172 993866952 /nfs/dbraw/zinc/86/69/52/993866952.db2.gz XBQSDPDRXZXCMG-QFIPXVFZSA-N 2 1 403.636 3.637 20 0 HHADMP CCS[C@H]1CCCC[NH+](CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)C1 ZINC000481023172 993866970 /nfs/dbraw/zinc/86/69/70/993866970.db2.gz XBQSDPDRXZXCMG-QFIPXVFZSA-N 2 1 403.636 3.637 20 0 HHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCOc3ccc(I)cc32)C1 ZINC000481049809 993891995 /nfs/dbraw/zinc/89/19/95/993891995.db2.gz NTWYNDPLLKTXOJ-PBHICJAKSA-N 2 1 414.331 3.826 20 0 HHADMP CCC[N@H+](CC)CCNC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000472973657 993908344 /nfs/dbraw/zinc/90/83/44/993908344.db2.gz DEZSTQRPIWEDJE-UHFFFAOYSA-N 2 1 414.516 3.701 20 0 HHADMP CCC[N@@H+](CC)CCNC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000472973657 993908355 /nfs/dbraw/zinc/90/83/55/993908355.db2.gz DEZSTQRPIWEDJE-UHFFFAOYSA-N 2 1 414.516 3.701 20 0 HHADMP CC(C)OCc1ccccc1CNC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481176174 994006967 /nfs/dbraw/zinc/00/69/67/994006967.db2.gz LNBJYKVALUCTNA-OFVILXPXSA-N 2 1 423.601 3.728 20 0 HHADMP CC(C)OCc1ccccc1CNC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481176174 994006979 /nfs/dbraw/zinc/00/69/79/994006979.db2.gz LNBJYKVALUCTNA-OFVILXPXSA-N 2 1 423.601 3.728 20 0 HHADMP COc1ccc(CN(C(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C2CC2)cc1 ZINC000481200363 994034793 /nfs/dbraw/zinc/03/47/93/994034793.db2.gz QGVQDOUKMXYONJ-NBGIEHNGSA-N 2 1 421.585 3.686 20 0 HHADMP COc1ccc(CN(C(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C2CC2)cc1 ZINC000481200363 994034805 /nfs/dbraw/zinc/03/48/05/994034805.db2.gz QGVQDOUKMXYONJ-NBGIEHNGSA-N 2 1 421.585 3.686 20 0 HHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000481299227 994114625 /nfs/dbraw/zinc/11/46/25/994114625.db2.gz LINAGAGQTVSMPK-SFHVURJKSA-N 2 1 401.576 3.682 20 0 HHADMP CC(C)C[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCCc2cccnc21 ZINC000481348069 994171164 /nfs/dbraw/zinc/17/11/64/994171164.db2.gz PVWRJLLPNKCHKN-XZOQPEGZSA-N 2 1 408.590 3.836 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cc(Br)ccc2F)[C@H](C)C1 ZINC000481408179 994242857 /nfs/dbraw/zinc/24/28/57/994242857.db2.gz RPRAVBVMTSHSAV-BEFAXECRSA-N 2 1 401.364 3.857 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NC3CC[NH+](C4CCCCC4)CC3)CC2)cs1 ZINC000473527448 994384028 /nfs/dbraw/zinc/38/40/28/994384028.db2.gz NUZRJDYODHODPH-UHFFFAOYSA-N 2 1 404.624 3.577 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481561857 994396561 /nfs/dbraw/zinc/39/65/61/994396561.db2.gz AZYRFEKMBSJBDA-RTWAWAEBSA-N 3 1 411.590 3.699 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481561857 994396570 /nfs/dbraw/zinc/39/65/70/994396570.db2.gz AZYRFEKMBSJBDA-RTWAWAEBSA-N 3 1 411.590 3.699 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000481561619 994396711 /nfs/dbraw/zinc/39/67/11/994396711.db2.gz KQYXNJLICTUGFS-PIPMEXSNSA-N 2 1 422.491 3.945 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481561854 994396771 /nfs/dbraw/zinc/39/67/71/994396771.db2.gz AZYRFEKMBSJBDA-LEWJYISDSA-N 3 1 411.590 3.699 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481561854 994396783 /nfs/dbraw/zinc/39/67/83/994396783.db2.gz AZYRFEKMBSJBDA-LEWJYISDSA-N 3 1 411.590 3.699 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)NCC[C@H](C)[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000473824154 994752742 /nfs/dbraw/zinc/75/27/42/994752742.db2.gz UHLZRYBTZHWWFX-NRFANRHFSA-N 2 1 423.605 3.861 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000473885737 994834825 /nfs/dbraw/zinc/83/48/25/994834825.db2.gz NPLPEMOHGVHQHN-FIDNPTQWSA-N 2 1 414.638 3.954 20 0 HHADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000481972939 994865761 /nfs/dbraw/zinc/86/57/61/994865761.db2.gz LFIPWBMKRJEUDS-IBGZPJMESA-N 2 1 407.624 3.776 20 0 HHADMP COc1ccc(-c2ccncc2)cc1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000482010979 994916580 /nfs/dbraw/zinc/91/65/80/994916580.db2.gz SAYFHMYKMACALG-NHCUHLMSSA-N 2 1 408.590 3.748 20 0 HHADMP Cc1ccc(NCCCNC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)[nH+]c1 ZINC000473953454 994931748 /nfs/dbraw/zinc/93/17/48/994931748.db2.gz UHLRNAGKCJUGKB-PMACEKPBSA-N 2 1 409.578 3.648 20 0 HHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000482146937 995098336 /nfs/dbraw/zinc/09/83/36/995098336.db2.gz QGUNKFNVPPUFKR-IRXDYDNUSA-N 2 1 407.605 3.682 20 0 HHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000482146937 995098346 /nfs/dbraw/zinc/09/83/46/995098346.db2.gz QGUNKFNVPPUFKR-IRXDYDNUSA-N 2 1 407.605 3.682 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000482157697 995112722 /nfs/dbraw/zinc/11/27/22/995112722.db2.gz NCDFOLFDQLUPFE-FCEWJHQRSA-N 2 1 415.500 3.759 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000482157697 995112730 /nfs/dbraw/zinc/11/27/30/995112730.db2.gz NCDFOLFDQLUPFE-FCEWJHQRSA-N 2 1 415.500 3.759 20 0 HHADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C3CCOCC3)c1)CC2 ZINC000482258594 995236457 /nfs/dbraw/zinc/23/64/57/995236457.db2.gz FSNGQJCWVBBBCC-VWLOTQADSA-N 2 1 410.558 3.962 20 0 HHADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474295304 995286050 /nfs/dbraw/zinc/28/60/50/995286050.db2.gz CDJKKAPIUPQDKX-DENIHFKCSA-N 2 1 415.578 3.880 20 0 HHADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474295304 995286058 /nfs/dbraw/zinc/28/60/58/995286058.db2.gz CDJKKAPIUPQDKX-DENIHFKCSA-N 2 1 415.578 3.880 20 0 HHADMP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474295304 995286063 /nfs/dbraw/zinc/28/60/63/995286063.db2.gz CDJKKAPIUPQDKX-DENIHFKCSA-N 2 1 415.578 3.880 20 0 HHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474295304 995286069 /nfs/dbraw/zinc/28/60/69/995286069.db2.gz CDJKKAPIUPQDKX-DENIHFKCSA-N 2 1 415.578 3.880 20 0 HHADMP CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000482461486 995465097 /nfs/dbraw/zinc/46/50/97/995465097.db2.gz SMGUKMZEODDPKP-QGZVFWFLSA-N 2 1 421.511 3.700 20 0 HHADMP CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000482461486 995465108 /nfs/dbraw/zinc/46/51/08/995465108.db2.gz SMGUKMZEODDPKP-QGZVFWFLSA-N 2 1 421.511 3.700 20 0 HHADMP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCCN3CCC[N@@H+](C)CC3)s2)cc1 ZINC000482540868 995549199 /nfs/dbraw/zinc/54/91/99/995549199.db2.gz ZXXKWTBPWJYTBL-KRWDZBQOSA-N 2 1 402.608 3.805 20 0 HHADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000482541925 995550479 /nfs/dbraw/zinc/55/04/79/995550479.db2.gz HPPUVCWPMSTURQ-GHTZIAJQSA-N 2 1 413.537 3.643 20 0 HHADMP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)CCC3)cc1 ZINC000482550401 995557918 /nfs/dbraw/zinc/55/79/18/995557918.db2.gz QGWWYLVDJSKVDX-OALUTQOASA-N 2 1 412.603 3.673 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000474634048 995580691 /nfs/dbraw/zinc/58/06/91/995580691.db2.gz LFJMODYHQFACJM-GHZCZGOHSA-N 2 1 420.548 3.805 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000474634048 995580700 /nfs/dbraw/zinc/58/07/00/995580700.db2.gz LFJMODYHQFACJM-GHZCZGOHSA-N 2 1 420.548 3.805 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cc(F)c(F)c(F)c1 ZINC000482620256 995615805 /nfs/dbraw/zinc/61/58/05/995615805.db2.gz OMXMCTUPMADBQY-RHSMWYFYSA-N 2 1 405.464 3.652 20 0 HHADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000482643714 995638811 /nfs/dbraw/zinc/63/88/11/995638811.db2.gz QGWQQJPTZHOXKV-YQOVMPOYSA-N 2 1 409.549 3.936 20 0 HHADMP CN(C(=O)Nc1ccccc1CN1CCSCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474741538 995674126 /nfs/dbraw/zinc/67/41/26/995674126.db2.gz XPSLAFQAPQVMLO-QFIPXVFZSA-N 2 1 424.614 3.974 20 0 HHADMP CN(C(=O)Nc1ccccc1C[NH+]1CCSCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474741538 995674134 /nfs/dbraw/zinc/67/41/34/995674134.db2.gz XPSLAFQAPQVMLO-QFIPXVFZSA-N 2 1 424.614 3.974 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(OC(F)F)cc1 ZINC000482815305 995768340 /nfs/dbraw/zinc/76/83/40/995768340.db2.gz NDFIUNBJVZVHMZ-JXFKEZNVSA-N 2 1 417.500 3.836 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc2ccccc2n1 ZINC000482822859 995772480 /nfs/dbraw/zinc/77/24/80/995772480.db2.gz ROSTXYBSWIOPMC-GCJKJVERSA-N 2 1 402.542 3.783 20 0 HHADMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000482856314 995795632 /nfs/dbraw/zinc/79/56/32/995795632.db2.gz JRDSGKYMPAEGFM-CABCVRRESA-N 2 1 416.393 3.682 20 0 HHADMP COc1ccccc1-c1ccc([C@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000482886352 995817867 /nfs/dbraw/zinc/81/78/67/995817867.db2.gz JDDXMSDYCVLQEP-IBGZPJMESA-N 2 1 409.574 3.956 20 0 HHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475012537 995868998 /nfs/dbraw/zinc/86/89/98/995868998.db2.gz IPTBVZKADYIMAH-DEOSSOPVSA-N 2 1 408.590 3.944 20 0 HHADMP CCN(C(=O)NC[C@H](c1ccccc1OC)[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475032764 995883176 /nfs/dbraw/zinc/88/31/76/995883176.db2.gz XKMHMLQPGPNSNP-JTHBVZDNSA-N 2 1 424.589 3.604 20 0 HHADMP CCN(C(=O)NC[C@H](c1ccccc1OC)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475032764 995883182 /nfs/dbraw/zinc/88/31/82/995883182.db2.gz XKMHMLQPGPNSNP-JTHBVZDNSA-N 2 1 424.589 3.604 20 0 HHADMP C[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@@H+]1CCc2sccc2C1 ZINC000475050576 995891585 /nfs/dbraw/zinc/89/15/85/995891585.db2.gz BVBGSZNFFXCIJP-QGZVFWFLSA-N 2 1 404.624 3.591 20 0 HHADMP C[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@H+]1CCc2sccc2C1 ZINC000475050576 995891591 /nfs/dbraw/zinc/89/15/91/995891591.db2.gz BVBGSZNFFXCIJP-QGZVFWFLSA-N 2 1 404.624 3.591 20 0 HHADMP CCN(C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475160141 995960700 /nfs/dbraw/zinc/96/07/00/995960700.db2.gz AZNDOBHEELCZCP-QHCPKHFHSA-N 2 1 421.589 3.665 20 0 HHADMP CCN(C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475160141 995960706 /nfs/dbraw/zinc/96/07/06/995960706.db2.gz AZNDOBHEELCZCP-QHCPKHFHSA-N 2 1 421.589 3.665 20 0 HHADMP C[C@H](CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000475192531 995986929 /nfs/dbraw/zinc/98/69/29/995986929.db2.gz UEAZVRISKMRMCU-HXUWFJFHSA-N 2 1 400.611 3.993 20 0 HHADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000483139211 995997920 /nfs/dbraw/zinc/99/79/20/995997920.db2.gz XGHJKNPOJHYBFP-MSOLQXFVSA-N 2 1 401.576 3.934 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)CC2)[nH+]c1 ZINC000483144793 996000943 /nfs/dbraw/zinc/00/09/43/996000943.db2.gz NTMOBMRFBFIWJW-UHFFFAOYSA-N 2 1 406.574 3.777 20 0 HHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000483190439 996028141 /nfs/dbraw/zinc/02/81/41/996028141.db2.gz DBGYXCJMTWALNR-MOPGFXCFSA-N 2 1 420.619 3.554 20 0 HHADMP Cc1cc(-c2noc(C[NH+]3CCC(CC[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)n2)ccc1F ZINC000483200420 996033562 /nfs/dbraw/zinc/03/35/62/996033562.db2.gz LNSCOWPAIJEMOO-ROUUACIJSA-N 2 1 416.541 3.895 20 0 HHADMP C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@H]1CC[N@H+](C3CCCCC3)C1)c1ccccc1O2 ZINC000483221349 996045636 /nfs/dbraw/zinc/04/56/36/996045636.db2.gz ZIRUWPSNNDMYMM-UGKGYDQZSA-N 2 1 411.590 3.745 20 0 HHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000483248155 996059530 /nfs/dbraw/zinc/05/95/30/996059530.db2.gz ZRAUFCUXTSPHRS-HNNXBMFYSA-N 2 1 406.246 3.686 20 0 HHADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000475319649 996067700 /nfs/dbraw/zinc/06/77/00/996067700.db2.gz MUEKXLSNIDACOB-UHFFFAOYSA-N 2 1 406.534 3.851 20 0 HHADMP CN(C(=O)c1ccc(C[NH+]2CCSCC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475321835 996069628 /nfs/dbraw/zinc/06/96/28/996069628.db2.gz MBJULHGQXYPLLJ-HSZRJFAPSA-N 2 1 409.599 3.582 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000483417579 996165142 /nfs/dbraw/zinc/16/51/42/996165142.db2.gz YMJCICFVKHUWBG-FNZWTVRRSA-N 2 1 423.576 3.958 20 0 HHADMP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)ccc2c1 ZINC000483502246 996221567 /nfs/dbraw/zinc/22/15/67/996221567.db2.gz HCXQLFMZHIFJMM-KUWBRRTOSA-N 2 1 409.574 3.611 20 0 HHADMP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)ccc2c1 ZINC000483502246 996221574 /nfs/dbraw/zinc/22/15/74/996221574.db2.gz HCXQLFMZHIFJMM-KUWBRRTOSA-N 2 1 409.574 3.611 20 0 HHADMP COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)ccc2c1 ZINC000483502246 996221575 /nfs/dbraw/zinc/22/15/75/996221575.db2.gz HCXQLFMZHIFJMM-KUWBRRTOSA-N 2 1 409.574 3.611 20 0 HHADMP COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)ccc2c1 ZINC000483502246 996221580 /nfs/dbraw/zinc/22/15/80/996221580.db2.gz HCXQLFMZHIFJMM-KUWBRRTOSA-N 2 1 409.574 3.611 20 0 HHADMP Brc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(N2CCOCC2)c1 ZINC000475578004 996228557 /nfs/dbraw/zinc/22/85/57/996228557.db2.gz KMNCGDUQKHSRRF-UHFFFAOYSA-N 2 1 422.411 3.594 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000483614285 996286669 /nfs/dbraw/zinc/28/66/69/996286669.db2.gz IUFWGMQTRGSCCK-GGAORHGYSA-N 2 1 400.611 3.805 20 0 HHADMP OC[C@]1(Cc2ccccc2)CCC[NH+]1CCC[N@@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000475668416 996288869 /nfs/dbraw/zinc/28/88/69/996288869.db2.gz QTISGTIDNITHFG-MKPDMIMOSA-N 2 1 422.613 3.516 20 0 HHADMP OC[C@]1(Cc2ccccc2)CCC[N@H+]1CCC[NH+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000475668416 996288873 /nfs/dbraw/zinc/28/88/73/996288873.db2.gz QTISGTIDNITHFG-MKPDMIMOSA-N 2 1 422.613 3.516 20 0 HHADMP OC[C@]1(Cc2ccccc2)CCC[N@@H+]1CCC[NH+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000475668416 996288882 /nfs/dbraw/zinc/28/88/82/996288882.db2.gz QTISGTIDNITHFG-MKPDMIMOSA-N 2 1 422.613 3.516 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)C1CC1 ZINC000483680160 996325412 /nfs/dbraw/zinc/32/54/12/996325412.db2.gz GECHZBKUBPQSEK-DEOSSOPVSA-N 2 1 424.589 3.796 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC000483711352 996343216 /nfs/dbraw/zinc/34/32/16/996343216.db2.gz NOUKQDYMCJUKKT-MZKRTTBSSA-N 2 1 400.611 3.933 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC000483711352 996343222 /nfs/dbraw/zinc/34/32/22/996343222.db2.gz NOUKQDYMCJUKKT-MZKRTTBSSA-N 2 1 400.611 3.933 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC000483711352 996343227 /nfs/dbraw/zinc/34/32/27/996343227.db2.gz NOUKQDYMCJUKKT-MZKRTTBSSA-N 2 1 400.611 3.933 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)C[C@@H]1C ZINC000483714473 996345164 /nfs/dbraw/zinc/34/51/64/996345164.db2.gz WKBBDTNNNNMMIU-JAXLGGSGSA-N 2 1 416.610 3.736 20 0 HHADMP O=C(NC1CC[NH+](C2CCCC2)CC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000483806523 996399957 /nfs/dbraw/zinc/39/99/57/996399957.db2.gz KHICUXFDYILOLR-DIMPSALBSA-N 2 1 410.606 3.888 20 0 HHADMP COc1cc(F)c([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1OC ZINC000484470593 996791091 /nfs/dbraw/zinc/79/10/91/996791091.db2.gz GQYSDHLGHMZMPN-INIZCTEOSA-N 2 1 402.510 3.650 20 0 HHADMP COc1cc(CN2CC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)C2)cc(OC)c1 ZINC000484617507 996951109 /nfs/dbraw/zinc/95/11/09/996951109.db2.gz IKPNTVYBIWGUQI-SEIBCYHCSA-N 2 1 423.601 3.778 20 0 HHADMP COc1cc(CN2CC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)C2)cc(OC)c1 ZINC000484617507 996951127 /nfs/dbraw/zinc/95/11/27/996951127.db2.gz IKPNTVYBIWGUQI-SEIBCYHCSA-N 2 1 423.601 3.778 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)C1CC1 ZINC000476629791 997151522 /nfs/dbraw/zinc/15/15/22/997151522.db2.gz GNXFKPBYWDDTNT-YADHBBJMSA-N 2 1 410.562 3.626 20 0 HHADMP C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000484968317 997340418 /nfs/dbraw/zinc/34/04/18/997340418.db2.gz FNUFZSATDIBDEP-SXLOBPIMSA-N 2 1 400.592 3.561 20 0 HHADMP C[C@@H]1[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000476871372 997447395 /nfs/dbraw/zinc/44/73/95/997447395.db2.gz DDGXYIOIMSQKNG-YKSBVNFPSA-N 2 1 406.574 3.745 20 0 HHADMP CC(=O)c1cccc(OC[C@H](O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC000476986355 997610159 /nfs/dbraw/zinc/61/01/59/997610159.db2.gz PLPAPCCHJRMYJJ-AUSIDOKSSA-N 2 1 402.579 3.605 20 0 HHADMP CC(=O)c1cccc(OC[C@@H](O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000476986357 997610798 /nfs/dbraw/zinc/61/07/98/997610798.db2.gz PLPAPCCHJRMYJJ-CVDCTZTESA-N 2 1 402.579 3.605 20 0 HHADMP COc1cccc(CN(C)C(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000476989481 997615795 /nfs/dbraw/zinc/61/57/95/997615795.db2.gz YIKLUZJYIPJNAM-FQEVSTJZSA-N 2 1 401.595 3.630 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cc2)C1 ZINC000485292016 997693738 /nfs/dbraw/zinc/69/37/38/997693738.db2.gz RQJQZFOYMGOVMN-QEFHDYNCSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cc2)C1 ZINC000485292016 997693747 /nfs/dbraw/zinc/69/37/47/997693747.db2.gz RQJQZFOYMGOVMN-QEFHDYNCSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cc2)C1 ZINC000485292016 997693753 /nfs/dbraw/zinc/69/37/53/997693753.db2.gz RQJQZFOYMGOVMN-QEFHDYNCSA-N 2 1 412.622 3.790 20 0 HHADMP CC[NH+](CC)CCSCC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000477080164 997733542 /nfs/dbraw/zinc/73/35/42/997733542.db2.gz GPRZJQWTUWVMIA-UHFFFAOYSA-N 2 1 403.636 3.576 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)NCc3ccccc3C[NH+]3CCCCCC3)CC2)c1 ZINC000485340118 997759129 /nfs/dbraw/zinc/75/91/29/997759129.db2.gz SRBWWQJFGFEYQT-UHFFFAOYSA-N 2 1 421.589 3.798 20 0 HHADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000485394854 997822323 /nfs/dbraw/zinc/82/23/23/997822323.db2.gz AXWCPFGDOWZWQM-HXUWFJFHSA-N 2 1 400.611 3.934 20 0 HHADMP CC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000485394854 997822335 /nfs/dbraw/zinc/82/23/35/997822335.db2.gz AXWCPFGDOWZWQM-HXUWFJFHSA-N 2 1 400.611 3.934 20 0 HHADMP CC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000485394854 997822349 /nfs/dbraw/zinc/82/23/49/997822349.db2.gz AXWCPFGDOWZWQM-HXUWFJFHSA-N 2 1 400.611 3.934 20 0 HHADMP O[C@@H](COCc1ccccc1F)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485485569 997938062 /nfs/dbraw/zinc/93/80/62/997938062.db2.gz GAGZZCPXYMDHLY-HSZRJFAPSA-N 2 1 412.549 3.691 20 0 HHADMP C[NH+]1CCC(CC(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)CC1 ZINC000485752568 998224249 /nfs/dbraw/zinc/22/42/49/998224249.db2.gz ARNXXQJVEWQMAN-UHFFFAOYSA-N 2 1 415.578 3.930 20 0 HHADMP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc[nH+]1 ZINC000485987476 998430327 /nfs/dbraw/zinc/43/03/27/998430327.db2.gz YQDVELGIEYZCRM-GGAORHGYSA-N 2 1 424.593 3.840 20 0 HHADMP CC(C)[C@H]1OCCC[C@@H]1Nc1nc(N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc[nH+]1 ZINC000485987478 998430594 /nfs/dbraw/zinc/43/05/94/998430594.db2.gz YQDVELGIEYZCRM-JTHBVZDNSA-N 2 1 424.593 3.840 20 0 HHADMP O=C(NC1CC([NH+]2CCCCC2)C1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000477955245 998679951 /nfs/dbraw/zinc/67/99/51/998679951.db2.gz ONNRXBVCRBWUHK-GZNCHQMQSA-N 2 1 409.496 3.574 20 0 HHADMP COc1cc(NC(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc(OC)c1 ZINC000478058050 998741260 /nfs/dbraw/zinc/74/12/60/998741260.db2.gz YROMYGAIURCKPR-GOSISDBHSA-N 2 1 403.567 3.619 20 0 HHADMP COc1cc(NC(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc(OC)c1 ZINC000478058050 998741263 /nfs/dbraw/zinc/74/12/63/998741263.db2.gz YROMYGAIURCKPR-GOSISDBHSA-N 2 1 403.567 3.619 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000487024708 999039830 /nfs/dbraw/zinc/03/98/30/999039830.db2.gz ADNAMLYLFKREKD-QDSKXPNFSA-N 2 1 408.590 3.808 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000487120839 999068566 /nfs/dbraw/zinc/06/85/66/999068566.db2.gz QBYQSGHZKWVXCB-XMMPIXPASA-N 2 1 405.586 3.579 20 0 HHADMP CC(C)C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000479051474 999267959 /nfs/dbraw/zinc/26/79/59/999267959.db2.gz AALLUXFMDWSNGH-IEBWSBKVSA-N 2 1 410.400 3.713 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000487897464 999308786 /nfs/dbraw/zinc/30/87/86/999308786.db2.gz NVRUXOMWWIZEOV-SEONNTABSA-N 2 1 408.537 3.661 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000487897464 999308793 /nfs/dbraw/zinc/30/87/93/999308793.db2.gz NVRUXOMWWIZEOV-SEONNTABSA-N 2 1 408.537 3.661 20 0 HHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000479276995 999360641 /nfs/dbraw/zinc/36/06/41/999360641.db2.gz CBMOHFFPQRTOFF-PIPMEXSNSA-N 2 1 417.391 3.853 20 0 HHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000479276995 999360648 /nfs/dbraw/zinc/36/06/48/999360648.db2.gz CBMOHFFPQRTOFF-PIPMEXSNSA-N 2 1 417.391 3.853 20 0 HHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000479302993 999374451 /nfs/dbraw/zinc/37/44/51/999374451.db2.gz WBNXXNMQWATCPX-IERDGZPVSA-N 2 1 403.364 3.737 20 0 HHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000479302994 999375090 /nfs/dbraw/zinc/37/50/90/999375090.db2.gz WBNXXNMQWATCPX-IIBYNOLFSA-N 2 1 403.364 3.737 20 0 HHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479438983 999417661 /nfs/dbraw/zinc/41/76/61/999417661.db2.gz PIHZHTWHBWSRBI-ILBGXUMGSA-N 2 1 416.569 3.996 20 0 HHADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)CCC(F)(F)F ZINC000488340417 999448151 /nfs/dbraw/zinc/44/81/51/999448151.db2.gz QLVWJQKFVQSXND-XYPHTWIQSA-N 2 1 405.892 3.579 20 0 HHADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)CCC(F)(F)F ZINC000488340417 999448154 /nfs/dbraw/zinc/44/81/54/999448154.db2.gz QLVWJQKFVQSXND-XYPHTWIQSA-N 2 1 405.892 3.579 20 0 HHADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000488340417 999448157 /nfs/dbraw/zinc/44/81/57/999448157.db2.gz QLVWJQKFVQSXND-XYPHTWIQSA-N 2 1 405.892 3.579 20 0 HHADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000488340417 999448163 /nfs/dbraw/zinc/44/81/63/999448163.db2.gz QLVWJQKFVQSXND-XYPHTWIQSA-N 2 1 405.892 3.579 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccco1 ZINC000488459705 999492904 /nfs/dbraw/zinc/49/29/04/999492904.db2.gz LSQMJNCSWBNXGG-RCZVLFRGSA-N 2 1 424.589 3.970 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000488474405 999499234 /nfs/dbraw/zinc/49/92/34/999499234.db2.gz YJDJGKADWBNAQB-ZODMCCGTSA-N 2 1 405.586 3.925 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000488474405 999499235 /nfs/dbraw/zinc/49/92/35/999499235.db2.gz YJDJGKADWBNAQB-ZODMCCGTSA-N 2 1 405.586 3.925 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000488474405 999499237 /nfs/dbraw/zinc/49/92/37/999499237.db2.gz YJDJGKADWBNAQB-ZODMCCGTSA-N 2 1 405.586 3.925 20 0 HHADMP C[C@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488544536 999523169 /nfs/dbraw/zinc/52/31/69/999523169.db2.gz GYMXRTKQPARUTO-REWPJTCUSA-N 2 1 421.589 3.508 20 0 HHADMP C[C@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488544533 999523208 /nfs/dbraw/zinc/52/32/08/999523208.db2.gz GYMXRTKQPARUTO-NZQKXSOJSA-N 2 1 421.589 3.508 20 0 HHADMP C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488596043 999540216 /nfs/dbraw/zinc/54/02/16/999540216.db2.gz NAFKMLCWVLDGOI-BWKNWUBXSA-N 2 1 420.601 3.992 20 0 HHADMP C[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488642408 999555117 /nfs/dbraw/zinc/55/51/17/999555117.db2.gz IUMAXZVUQRAWBX-IFMALSPDSA-N 2 1 412.622 3.993 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cccnc2OCC(F)F)CC1 ZINC000479927636 999651740 /nfs/dbraw/zinc/65/17/40/999651740.db2.gz KHBQZHZIZXTHCY-UHFFFAOYSA-N 2 1 404.505 3.547 20 0 HHADMP CC[NH+]1CCC([NH2+][C@H](C)c2cccc(S(=O)(=O)NC3CCCCCC3)c2)CC1 ZINC000480013882 999686627 /nfs/dbraw/zinc/68/66/27/999686627.db2.gz CWMUXHJIDLJNGB-GOSISDBHSA-N 2 1 407.624 3.823 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)[NH+]2CCCC2)o1 ZINC000489140511 999710326 /nfs/dbraw/zinc/71/03/26/999710326.db2.gz PODMZCDOARQAQW-OIBXWCBGSA-N 2 1 424.589 3.935 20 0 HHADMP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C[C@@H](C)C1 ZINC000489361477 999751985 /nfs/dbraw/zinc/75/19/85/999751985.db2.gz KEPFPGFOZNUHLW-SKPFHBQLSA-N 2 1 424.589 3.783 20 0 HHADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C[C@@H](C)C1 ZINC000489361477 999751987 /nfs/dbraw/zinc/75/19/87/999751987.db2.gz KEPFPGFOZNUHLW-SKPFHBQLSA-N 2 1 424.589 3.783 20 0 HHADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C[C@@H](C)C1 ZINC000489361477 999751989 /nfs/dbraw/zinc/75/19/89/999751989.db2.gz KEPFPGFOZNUHLW-SKPFHBQLSA-N 2 1 424.589 3.783 20 0 HHADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C[C@@H](C)C1 ZINC000489361477 999751991 /nfs/dbraw/zinc/75/19/91/999751991.db2.gz KEPFPGFOZNUHLW-SKPFHBQLSA-N 2 1 424.589 3.783 20 0 HHADMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000480239436 999753817 /nfs/dbraw/zinc/75/38/17/999753817.db2.gz HEROFEFLSHPEJG-SFHVURJKSA-N 2 1 401.576 3.547 20 0 HHADMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000480239436 999753819 /nfs/dbraw/zinc/75/38/19/999753819.db2.gz HEROFEFLSHPEJG-SFHVURJKSA-N 2 1 401.576 3.547 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)[NH+](C)C)cc1 ZINC000489400160 999759404 /nfs/dbraw/zinc/75/94/04/999759404.db2.gz JNFCOBFDGSOLCC-OYDLWJJNSA-N 2 1 408.590 3.808 20 0 HHADMP COc1ccccc1[C@@H]1CC[NH+](CCOCC[N@@H+]2CC[C@@H](c3ccccc3OC)C2)C1 ZINC000489421078 999763779 /nfs/dbraw/zinc/76/37/79/999763779.db2.gz GLNVUQXGGQBAHA-FGZHOGPDSA-N 2 1 424.585 3.999 20 0 HHADMP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489631682 999806445 /nfs/dbraw/zinc/80/64/45/999806445.db2.gz DYXGGSRDMAUDMN-HYBUGGRVSA-N 2 1 421.585 3.859 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)cc2)C[C@@H](C)O1 ZINC000480522158 999817718 /nfs/dbraw/zinc/81/77/18/999817718.db2.gz CJWCQVMUGOQRDX-VIZSFHNOSA-N 2 1 413.606 3.567 20 0 HHADMP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000480612511 999840957 /nfs/dbraw/zinc/84/09/57/999840957.db2.gz PCVCLOQGRHLGNT-RTBURBONSA-N 2 1 415.603 3.677 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cccc(-c2ccncc2)c1 ZINC000480619421 999842539 /nfs/dbraw/zinc/84/25/39/999842539.db2.gz ZYIHFXIRUMUBFW-HXUWFJFHSA-N 2 1 414.553 3.987 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000489824932 999844801 /nfs/dbraw/zinc/84/48/01/999844801.db2.gz DLPUKDPUEDAESA-HYVLGVRCSA-N 2 1 414.638 3.954 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000489824932 999844805 /nfs/dbraw/zinc/84/48/05/999844805.db2.gz DLPUKDPUEDAESA-HYVLGVRCSA-N 2 1 414.638 3.954 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000489824932 999844806 /nfs/dbraw/zinc/84/48/06/999844806.db2.gz DLPUKDPUEDAESA-HYVLGVRCSA-N 2 1 414.638 3.954 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000489896261 999857782 /nfs/dbraw/zinc/85/77/82/999857782.db2.gz ITECRFAVVCZAFQ-NRFANRHFSA-N 2 1 400.611 3.805 20 0 HHADMP Cn1cc([C@H]([NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c2cccc(F)c2)cn1 ZINC000490119161 999895672 /nfs/dbraw/zinc/89/56/72/999895672.db2.gz NGAZQMQTIVAXSO-JWQCQUIFSA-N 2 1 421.564 3.617 20 0 HHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)CC3 ZINC000490142371 999899431 /nfs/dbraw/zinc/89/94/31/999899431.db2.gz HSSMAPIJQOQULY-OAQYLSRUSA-N 2 1 416.569 3.511 20 0 HHADMP c1cc(-c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)ccc1C[NH+]1CCCC1 ZINC000490396830 999950739 /nfs/dbraw/zinc/95/07/39/999950739.db2.gz HJLCUJOXOQIOOY-UHFFFAOYSA-N 2 1 404.514 3.832 20 0 HHADMP C[C@@H]1C[N@@H+](CC/C=C\c2ccc(Br)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490649358 999988712 /nfs/dbraw/zinc/98/87/12/999988712.db2.gz OKUFADQPFMBPBV-COEOQKCKSA-N 2 1 406.412 3.810 20 0 HHADMP C[C@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[N@H+]1CCCC[C@H]1C ZINC000490953761 1000027011 /nfs/dbraw/zinc/02/70/11/1000027011.db2.gz XBNZOTFVRRSMOR-RTBURBONSA-N 2 1 404.624 3.662 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@H+]1Cc1ccccc1 ZINC000491259896 1000059828 /nfs/dbraw/zinc/05/98/28/1000059828.db2.gz RWGWPWZMMPKXQO-KNQAVFIVSA-N 2 1 424.593 3.667 20 0 HHADMP C[C@H]1C[C@H](CCNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[N@H+]1Cc1ccccc1 ZINC000491310819 1000063791 /nfs/dbraw/zinc/06/37/91/1000063791.db2.gz SBXYXIKSINILQF-FPOVZHCZSA-N 2 1 424.593 3.572 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000491403090 1000072115 /nfs/dbraw/zinc/07/21/15/1000072115.db2.gz WSEZHMIJJXSQCQ-LJQANCHMSA-N 2 1 424.593 3.703 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000493098614 1000157128 /nfs/dbraw/zinc/15/71/28/1000157128.db2.gz RCRLJKJYKUESOF-UHFFFAOYSA-N 2 1 423.601 3.661 20 0 HHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)CC3 ZINC000493276517 1000166555 /nfs/dbraw/zinc/16/65/55/1000166555.db2.gz KECOVOYXKRTVJV-YZUZCNPQSA-N 2 1 403.570 3.806 20 0 HHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)CC3 ZINC000493276517 1000166558 /nfs/dbraw/zinc/16/65/58/1000166558.db2.gz KECOVOYXKRTVJV-YZUZCNPQSA-N 2 1 403.570 3.806 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000494131358 1000322666 /nfs/dbraw/zinc/32/26/66/1000322666.db2.gz GXCPWLXKLVMGCE-FCHUYYIVSA-N 2 1 401.501 3.980 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000494131358 1000322672 /nfs/dbraw/zinc/32/26/72/1000322672.db2.gz GXCPWLXKLVMGCE-FCHUYYIVSA-N 2 1 401.501 3.980 20 0 HHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@H]2CCC[NH+]2C2CC2)CC1 ZINC000495184489 1000906102 /nfs/dbraw/zinc/90/61/02/1000906102.db2.gz OJMRODDEHUUOKK-FQEVSTJZSA-N 2 1 409.496 3.755 20 0 HHADMP C[NH+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000495184489 1000906112 /nfs/dbraw/zinc/90/61/12/1000906112.db2.gz OJMRODDEHUUOKK-FQEVSTJZSA-N 2 1 409.496 3.755 20 0 HHADMP C[NH+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000495184489 1000906122 /nfs/dbraw/zinc/90/61/22/1000906122.db2.gz OJMRODDEHUUOKK-FQEVSTJZSA-N 2 1 409.496 3.755 20 0 HHADMP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000505691898 1000978186 /nfs/dbraw/zinc/97/81/86/1000978186.db2.gz MGWAFHYKOZCLMU-BJKOFHAPSA-N 2 1 418.585 3.730 20 0 HHADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000505691898 1000978193 /nfs/dbraw/zinc/97/81/93/1000978193.db2.gz MGWAFHYKOZCLMU-BJKOFHAPSA-N 2 1 418.585 3.730 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000505760876 1001010220 /nfs/dbraw/zinc/01/02/20/1001010220.db2.gz ZJZAPGPBXOMXJE-QRQLOZEOSA-N 2 1 411.512 3.683 20 0 HHADMP CCCC[C@@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)C(=O)Nc1cc(C)on1 ZINC000495481819 1001028365 /nfs/dbraw/zinc/02/83/65/1001028365.db2.gz VYSIDGBEEUILDV-LJQANCHMSA-N 2 1 417.554 3.587 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1csc(-c2ccc(C)cc2)n1 ZINC000505800592 1001033408 /nfs/dbraw/zinc/03/34/08/1001033408.db2.gz CYAMLKNNLZQLPE-OAQYLSRUSA-N 2 1 414.619 3.536 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1cccc(Cl)c1 ZINC000495591977 1001049139 /nfs/dbraw/zinc/04/91/39/1001049139.db2.gz NDKMDKULLNOWPH-KRWDZBQOSA-N 2 1 401.938 3.852 20 0 HHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000505925974 1001106016 /nfs/dbraw/zinc/10/60/16/1001106016.db2.gz ZHHZAXLRKZIOPI-RBBKRZOGSA-N 2 1 415.647 3.962 20 0 HHADMP Fc1ccc(-c2nnc3n2C[C@@H]([NH2+]C2CC[NH+](Cc4ccccc4)CC2)CC3)cc1 ZINC000505990283 1001146959 /nfs/dbraw/zinc/14/69/59/1001146959.db2.gz BKOVKLXMMBAVBD-QFIPXVFZSA-N 2 1 405.521 3.653 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000506020445 1001167867 /nfs/dbraw/zinc/16/78/67/1001167867.db2.gz XBOCZRNDTYLOLB-IBGZPJMESA-N 2 1 416.569 3.568 20 0 HHADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000506020445 1001167873 /nfs/dbraw/zinc/16/78/73/1001167873.db2.gz XBOCZRNDTYLOLB-IBGZPJMESA-N 2 1 416.569 3.568 20 0 HHADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000497473549 1001385463 /nfs/dbraw/zinc/38/54/63/1001385463.db2.gz UFVCDBGNICMZDF-UXPWSPDFSA-N 2 1 424.511 3.548 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497564898 1001437829 /nfs/dbraw/zinc/43/78/29/1001437829.db2.gz UBWZKODVVZXVPA-HSZRJFAPSA-N 2 1 412.622 3.805 20 0 HHADMP CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000506787746 1001530409 /nfs/dbraw/zinc/53/04/09/1001530409.db2.gz AYYHWPRQPOPLJS-UHFFFAOYSA-N 2 1 424.589 3.688 20 0 HHADMP CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000506787746 1001530413 /nfs/dbraw/zinc/53/04/13/1001530413.db2.gz AYYHWPRQPOPLJS-UHFFFAOYSA-N 2 1 424.589 3.688 20 0 HHADMP C[C@H](Cc1ccc(O)cc1)[NH+](C)CC1(C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)COC1 ZINC000497845355 1001534683 /nfs/dbraw/zinc/53/46/83/1001534683.db2.gz NNFJWDNHIONYAN-WOJBJXKFSA-N 2 1 412.574 3.540 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)[NH+]1CCc2ccccc2C1 ZINC000506922043 1001595090 /nfs/dbraw/zinc/59/50/90/1001595090.db2.gz MPHMXBZYNIRUCI-BDTNDASRSA-N 2 1 412.622 3.729 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000506922043 1001595094 /nfs/dbraw/zinc/59/50/94/1001595094.db2.gz MPHMXBZYNIRUCI-BDTNDASRSA-N 2 1 412.622 3.729 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1)[N@H+]1CCc2ccccc2C1 ZINC000506922043 1001595097 /nfs/dbraw/zinc/59/50/97/1001595097.db2.gz MPHMXBZYNIRUCI-BDTNDASRSA-N 2 1 412.622 3.729 20 0 HHADMP C[C@H](NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498115550 1001647102 /nfs/dbraw/zinc/64/71/02/1001647102.db2.gz AWKRMUQJLZHAEJ-AVCGJXAMSA-N 2 1 412.553 3.638 20 0 HHADMP CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c2cccs2)CC1 ZINC000498129000 1001653986 /nfs/dbraw/zinc/65/39/86/1001653986.db2.gz XWSNDZCNSOGXDG-SLFFLAALSA-N 2 1 404.624 3.647 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000506951173 1001724765 /nfs/dbraw/zinc/72/47/65/1001724765.db2.gz MSGRFDBVOVUBPT-XQBPLPMBSA-N 2 1 404.574 3.724 20 0 HHADMP CC(C)Cc1ccc([C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[NH+](C)C)cc1 ZINC000498382470 1001812343 /nfs/dbraw/zinc/81/23/43/1001812343.db2.gz CRESJFJGDXVRAA-WVUPVLJSSA-N 2 1 400.611 3.802 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccc(Cl)s1 ZINC000498484732 1001910544 /nfs/dbraw/zinc/91/05/44/1001910544.db2.gz PIYVKBMGCYXVEZ-HNNXBMFYSA-N 2 1 407.967 3.913 20 0 HHADMP CC[NH+]1CCC[C@H](CNC(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000507379041 1002035010 /nfs/dbraw/zinc/03/50/10/1002035010.db2.gz LOHPFMRYUFDJPX-QHAWAJNXSA-N 2 1 400.611 3.696 20 0 HHADMP CC[N@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000507379041 1002035002 /nfs/dbraw/zinc/03/50/02/1002035002.db2.gz LOHPFMRYUFDJPX-QHAWAJNXSA-N 2 1 400.611 3.696 20 0 HHADMP CC[NH+]1CCC[C@H](CNC(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000507379041 1002035021 /nfs/dbraw/zinc/03/50/21/1002035021.db2.gz LOHPFMRYUFDJPX-QHAWAJNXSA-N 2 1 400.611 3.696 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CCC[NH+](C(C)C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000498666330 1002060318 /nfs/dbraw/zinc/06/03/18/1002060318.db2.gz HMLVORJNZXZXST-LEWJYISDSA-N 2 1 408.537 3.614 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CCC[NH+](C(C)C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000498666330 1002060329 /nfs/dbraw/zinc/06/03/29/1002060329.db2.gz HMLVORJNZXZXST-LEWJYISDSA-N 2 1 408.537 3.614 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CCC[N@@H+](C(C)C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000498666330 1002060340 /nfs/dbraw/zinc/06/03/40/1002060340.db2.gz HMLVORJNZXZXST-LEWJYISDSA-N 2 1 408.537 3.614 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CCC[N@H+](C(C)C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000498666330 1002060348 /nfs/dbraw/zinc/06/03/48/1002060348.db2.gz HMLVORJNZXZXST-LEWJYISDSA-N 2 1 408.537 3.614 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000498680033 1002071171 /nfs/dbraw/zinc/07/11/71/1002071171.db2.gz INPPXDCFDHSCNR-UAMLPYHUSA-N 2 1 408.537 3.613 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000498680033 1002071184 /nfs/dbraw/zinc/07/11/84/1002071184.db2.gz INPPXDCFDHSCNR-UAMLPYHUSA-N 2 1 408.537 3.613 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000498680033 1002071195 /nfs/dbraw/zinc/07/11/95/1002071195.db2.gz INPPXDCFDHSCNR-UAMLPYHUSA-N 2 1 408.537 3.613 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000498680033 1002071207 /nfs/dbraw/zinc/07/12/07/1002071207.db2.gz INPPXDCFDHSCNR-UAMLPYHUSA-N 2 1 408.537 3.613 20 0 HHADMP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498707380 1002090893 /nfs/dbraw/zinc/09/08/93/1002090893.db2.gz SXPBGXJDCSFFKA-QPPBQGQZSA-N 2 1 408.590 3.670 20 0 HHADMP C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000498722189 1002104807 /nfs/dbraw/zinc/10/48/07/1002104807.db2.gz NQPQLQOLBABGEH-TUACAJSNSA-N 2 1 406.574 3.595 20 0 HHADMP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000498722189 1002104810 /nfs/dbraw/zinc/10/48/10/1002104810.db2.gz NQPQLQOLBABGEH-TUACAJSNSA-N 2 1 406.574 3.595 20 0 HHADMP C[C@H](NC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498722189 1002104820 /nfs/dbraw/zinc/10/48/20/1002104820.db2.gz NQPQLQOLBABGEH-TUACAJSNSA-N 2 1 406.574 3.595 20 0 HHADMP C[C@H](NC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498722189 1002104828 /nfs/dbraw/zinc/10/48/28/1002104828.db2.gz NQPQLQOLBABGEH-TUACAJSNSA-N 2 1 406.574 3.595 20 0 HHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000507512883 1002123786 /nfs/dbraw/zinc/12/37/86/1002123786.db2.gz VFKKBSGTIJMNPR-AQNXPRMDSA-N 2 1 401.595 3.536 20 0 HHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000507512883 1002123801 /nfs/dbraw/zinc/12/38/01/1002123801.db2.gz VFKKBSGTIJMNPR-AQNXPRMDSA-N 2 1 401.595 3.536 20 0 HHADMP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000507512883 1002123777 /nfs/dbraw/zinc/12/37/77/1002123777.db2.gz VFKKBSGTIJMNPR-AQNXPRMDSA-N 2 1 401.595 3.536 20 0 HHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000507512883 1002123791 /nfs/dbraw/zinc/12/37/91/1002123791.db2.gz VFKKBSGTIJMNPR-AQNXPRMDSA-N 2 1 401.595 3.536 20 0 HHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](O)CO[C@@H]3CCCc4ccccc43)C2)CC1 ZINC000498833692 1002219625 /nfs/dbraw/zinc/21/96/25/1002219625.db2.gz MDHRIMQITWRXLA-QQKQFIJSSA-N 2 1 400.607 3.885 20 0 HHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](O)CO[C@@H]3CCCc4ccccc43)C2)CC1 ZINC000498833692 1002219635 /nfs/dbraw/zinc/21/96/35/1002219635.db2.gz MDHRIMQITWRXLA-QQKQFIJSSA-N 2 1 400.607 3.885 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](Cc2cccc(O)c2)CC2CC2)CC1 ZINC000498894561 1002284588 /nfs/dbraw/zinc/28/45/88/1002284588.db2.gz LDWFRDPEWOORRD-UHFFFAOYSA-N 2 1 421.585 3.693 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000507712301 1002302462 /nfs/dbraw/zinc/30/24/62/1002302462.db2.gz ATIYENYALOHUDG-UHFFFAOYSA-N 2 1 409.578 3.768 20 0 HHADMP COc1cc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1OCCO ZINC000499139598 1002524004 /nfs/dbraw/zinc/52/40/04/1002524004.db2.gz PUNPOAMXLKNYOL-HWHRFOGPSA-N 2 1 410.558 3.913 20 0 HHADMP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000499150366 1002534411 /nfs/dbraw/zinc/53/44/11/1002534411.db2.gz XXIYGAKOUPKXLD-QEIWAGNOSA-N 3 1 407.602 3.955 20 0 HHADMP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000499150366 1002534422 /nfs/dbraw/zinc/53/44/22/1002534422.db2.gz XXIYGAKOUPKXLD-QEIWAGNOSA-N 2 1 407.602 3.955 20 0 HHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000499236400 1002626507 /nfs/dbraw/zinc/62/65/07/1002626507.db2.gz XRDAJOYBKRMABH-JUCVYKANSA-N 2 1 419.613 3.655 20 0 HHADMP OC[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499236400 1002626514 /nfs/dbraw/zinc/62/65/14/1002626514.db2.gz XRDAJOYBKRMABH-JUCVYKANSA-N 2 1 419.613 3.655 20 0 HHADMP OC[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499236400 1002626520 /nfs/dbraw/zinc/62/65/20/1002626520.db2.gz XRDAJOYBKRMABH-JUCVYKANSA-N 2 1 419.613 3.655 20 0 HHADMP OC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499236400 1002626525 /nfs/dbraw/zinc/62/65/25/1002626525.db2.gz XRDAJOYBKRMABH-JUCVYKANSA-N 2 1 419.613 3.655 20 0 HHADMP OC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499236400 1002626531 /nfs/dbraw/zinc/62/65/31/1002626531.db2.gz XRDAJOYBKRMABH-JUCVYKANSA-N 2 1 419.613 3.655 20 0 HHADMP c1ccc(C[C@H](CN2CCOCC2)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000499237860 1002628051 /nfs/dbraw/zinc/62/80/51/1002628051.db2.gz PFWJDZLYDUXICL-JVYGEBFASA-N 2 1 419.613 3.715 20 0 HHADMP FC(F)(F)c1ccnc(NCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000499256756 1002656881 /nfs/dbraw/zinc/65/68/81/1002656881.db2.gz RJJACMOFPVDMHU-NNZMDNLPSA-N 2 1 405.468 3.693 20 0 HHADMP CC(C)[NH+](CCN(C)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000508285833 1002794669 /nfs/dbraw/zinc/79/46/69/1002794669.db2.gz HFJVRSFQLRFZIS-SGRGSNTQSA-N 2 1 402.627 3.903 20 0 HHADMP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000508611439 1003065993 /nfs/dbraw/zinc/06/59/93/1003065993.db2.gz BSISHTJTHZCGDY-QFIPXVFZSA-N 2 1 422.617 3.859 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000508611439 1003066010 /nfs/dbraw/zinc/06/60/10/1003066010.db2.gz BSISHTJTHZCGDY-QFIPXVFZSA-N 2 1 422.617 3.859 20 0 HHADMP C[C@H]([NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508716818 1003156727 /nfs/dbraw/zinc/15/67/27/1003156727.db2.gz LFJRDIGJZYALLF-GRYUFTJMSA-N 2 1 411.565 3.699 20 0 HHADMP Cc1cc(NC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)n(C2CC[NH+](C)CC2)n1 ZINC000499884559 1003220663 /nfs/dbraw/zinc/22/06/63/1003220663.db2.gz CUOJBKAYTCAVPQ-PMACEKPBSA-N 2 1 424.593 3.585 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000499966945 1003286012 /nfs/dbraw/zinc/28/60/12/1003286012.db2.gz DMTWLZSHDDWSCM-ZCYQVOJMSA-N 2 1 412.622 3.662 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000499966945 1003286019 /nfs/dbraw/zinc/28/60/19/1003286019.db2.gz DMTWLZSHDDWSCM-ZCYQVOJMSA-N 2 1 412.622 3.662 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000499966945 1003286026 /nfs/dbraw/zinc/28/60/26/1003286026.db2.gz DMTWLZSHDDWSCM-ZCYQVOJMSA-N 2 1 412.622 3.662 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H](C)[C@H](c3ccccc3)[NH+](C)C)CC2)cc1 ZINC000508902791 1003339209 /nfs/dbraw/zinc/33/92/09/1003339209.db2.gz DUBUQGLUJDILCN-GBXCKJPGSA-N 2 1 424.589 3.604 20 0 HHADMP C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000508941893 1003394789 /nfs/dbraw/zinc/39/47/89/1003394789.db2.gz MRMXCLTWGKVCQD-DBXWQHBBSA-N 2 1 411.512 3.820 20 0 HHADMP C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000508941893 1003394805 /nfs/dbraw/zinc/39/48/05/1003394805.db2.gz MRMXCLTWGKVCQD-DBXWQHBBSA-N 2 1 411.512 3.820 20 0 HHADMP C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000508941893 1003394798 /nfs/dbraw/zinc/39/47/98/1003394798.db2.gz MRMXCLTWGKVCQD-DBXWQHBBSA-N 2 1 411.512 3.820 20 0 HHADMP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000511909366 1003883977 /nfs/dbraw/zinc/88/39/77/1003883977.db2.gz SOOCDWODNDZUNR-CYBMUJFWSA-N 2 1 421.891 3.512 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000500678014 1003887064 /nfs/dbraw/zinc/88/70/64/1003887064.db2.gz KDOLESXWXDSJQB-IMSXRSKXSA-N 2 1 412.622 3.934 20 0 HHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cc(N2CCCC[C@@H]2CO)ncn1 ZINC000509527017 1003924524 /nfs/dbraw/zinc/92/45/24/1003924524.db2.gz MKEATENXYFMQJE-RTWAWAEBSA-N 2 1 409.578 3.540 20 0 HHADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000500835342 1003990907 /nfs/dbraw/zinc/99/09/07/1003990907.db2.gz UNEJNKQOYUKAPU-HSZRJFAPSA-N 2 1 421.589 3.604 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1F ZINC000500839013 1003993771 /nfs/dbraw/zinc/99/37/71/1003993771.db2.gz CIHYPQPOFPCLDD-SJORKVTESA-N 2 1 401.501 3.785 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCC[C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000512102869 1004024953 /nfs/dbraw/zinc/02/49/53/1004024953.db2.gz ABFRLWOFGMKSTI-AKIFATBCSA-N 2 1 400.611 3.707 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000512102869 1004024960 /nfs/dbraw/zinc/02/49/60/1004024960.db2.gz ABFRLWOFGMKSTI-AKIFATBCSA-N 2 1 400.611 3.707 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000512102869 1004024975 /nfs/dbraw/zinc/02/49/75/1004024975.db2.gz ABFRLWOFGMKSTI-AKIFATBCSA-N 2 1 400.611 3.707 20 0 HHADMP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000512132445 1004045668 /nfs/dbraw/zinc/04/56/68/1004045668.db2.gz SBTCJDPZCNGICA-SXWKCWPCSA-N 2 1 401.595 3.632 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000512132445 1004045674 /nfs/dbraw/zinc/04/56/74/1004045674.db2.gz SBTCJDPZCNGICA-SXWKCWPCSA-N 2 1 401.595 3.632 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000512171294 1004075121 /nfs/dbraw/zinc/07/51/21/1004075121.db2.gz GPSUOHDFRWCXSN-XZOQPEGZSA-N 2 1 408.590 3.889 20 0 HHADMP C[N@H+](Cc1cc2c(c(Br)c1)OCO2)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501026393 1004129828 /nfs/dbraw/zinc/12/98/28/1004129828.db2.gz SGCPGHGLAQIXQY-UHFFFAOYSA-N 2 1 418.335 3.921 20 0 HHADMP C[N@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501034950 1004137913 /nfs/dbraw/zinc/13/79/13/1004137913.db2.gz WDGXZYHDTLVSTB-UHFFFAOYSA-N 2 1 422.451 3.767 20 0 HHADMP C[N@H+](CC(=O)Nc1ccccc1Br)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501068856 1004171173 /nfs/dbraw/zinc/17/11/73/1004171173.db2.gz NHWASCDEEGDOJB-UHFFFAOYSA-N 2 1 417.351 3.631 20 0 HHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000501086358 1004192381 /nfs/dbraw/zinc/19/23/81/1004192381.db2.gz JQPQUJQINIOIJN-UWVAXJGDSA-N 2 1 410.965 3.646 20 0 HHADMP CCC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000501086358 1004192387 /nfs/dbraw/zinc/19/23/87/1004192387.db2.gz JQPQUJQINIOIJN-UWVAXJGDSA-N 2 1 410.965 3.646 20 0 HHADMP CCC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000501086358 1004192389 /nfs/dbraw/zinc/19/23/89/1004192389.db2.gz JQPQUJQINIOIJN-UWVAXJGDSA-N 2 1 410.965 3.646 20 0 HHADMP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000512290036 1004193296 /nfs/dbraw/zinc/19/32/96/1004193296.db2.gz WXOASUWNOCCANH-QPTUXGOLSA-N 2 1 412.599 3.871 20 0 HHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]CC(c3ccccc3)c3ccccc3)cc2)CC1 ZINC000509910402 1004201746 /nfs/dbraw/zinc/20/17/46/1004201746.db2.gz BLWBDRDLSGBSFD-UHFFFAOYSA-N 2 1 413.565 3.996 20 0 HHADMP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000512318210 1004213537 /nfs/dbraw/zinc/21/35/37/1004213537.db2.gz LWGIFKQRFKQVNC-BZSNNMDCSA-N 2 1 403.567 3.664 20 0 HHADMP Cc1cccc(C)c1OCCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512419974 1004286167 /nfs/dbraw/zinc/28/61/67/1004286167.db2.gz GBHUHJIEDXZSED-RUZDIDTESA-N 2 1 407.602 3.964 20 0 HHADMP CCC[NH+]1CCC(N(C)C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512423397 1004289307 /nfs/dbraw/zinc/28/93/07/1004289307.db2.gz GIUBKDVVDJMOHE-RBBKRZOGSA-N 2 1 400.611 3.803 20 0 HHADMP CSc1ccc(OCC[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512473769 1004328978 /nfs/dbraw/zinc/32/89/78/1004328978.db2.gz GCURJOOZSKTQHN-JOCHJYFZSA-N 2 1 411.615 3.679 20 0 HHADMP CSc1ccc(OCC[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512473769 1004328985 /nfs/dbraw/zinc/32/89/85/1004328985.db2.gz GCURJOOZSKTQHN-JOCHJYFZSA-N 2 1 411.615 3.679 20 0 HHADMP C[NH+](Cc1cc(Br)ccc1C[N@H+](C)[C@H]1CCCOC1)[C@H]1CCCOC1 ZINC000510143274 1004353670 /nfs/dbraw/zinc/35/36/70/1004353670.db2.gz LQWRWVADUFCGEG-PMACEKPBSA-N 2 1 411.384 3.671 20 0 HHADMP C[NH+](Cc1ccc(Br)cc1C[N@H+](C)[C@H]1CCCOC1)[C@H]1CCCOC1 ZINC000510143274 1004353674 /nfs/dbraw/zinc/35/36/74/1004353674.db2.gz LQWRWVADUFCGEG-PMACEKPBSA-N 2 1 411.384 3.671 20 0 HHADMP C[NH+](Cc1ccc(Br)cc1C[N@@H+](C)[C@H]1CCCOC1)[C@H]1CCCOC1 ZINC000510143274 1004353679 /nfs/dbraw/zinc/35/36/79/1004353679.db2.gz LQWRWVADUFCGEG-PMACEKPBSA-N 2 1 411.384 3.671 20 0 HHADMP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)N2CCOCC2)o1 ZINC000512652613 1004464942 /nfs/dbraw/zinc/46/49/42/1004464942.db2.gz ATABLSJOIVZPSZ-LIONHTAISA-N 2 1 423.601 3.852 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCc4nnc5n4CCCCC5)[C@H]3C2)cc1 ZINC000512660856 1004471334 /nfs/dbraw/zinc/47/13/34/1004471334.db2.gz OZZQFECGXHBAKY-VABKMULXSA-N 2 1 407.606 3.827 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000512673045 1004482178 /nfs/dbraw/zinc/48/21/78/1004482178.db2.gz MAFAILJSLVGUDM-HDICACEKSA-N 2 1 401.986 3.721 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000512673045 1004482185 /nfs/dbraw/zinc/48/21/85/1004482185.db2.gz MAFAILJSLVGUDM-HDICACEKSA-N 2 1 401.986 3.721 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)NC2CC[NH+](C3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000510345317 1004496570 /nfs/dbraw/zinc/49/65/70/1004496570.db2.gz ZBYXZLFTEPYIGQ-IRLDBZIGSA-N 2 1 412.622 3.993 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCCC[C@@H]1C ZINC000501553744 1004511563 /nfs/dbraw/zinc/51/15/63/1004511563.db2.gz RPLMJMRYQIQUKO-OALUTQOASA-N 2 1 407.002 3.820 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCCC[C@@H]1C ZINC000501553744 1004511570 /nfs/dbraw/zinc/51/15/70/1004511570.db2.gz RPLMJMRYQIQUKO-OALUTQOASA-N 2 1 407.002 3.820 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000501553744 1004511579 /nfs/dbraw/zinc/51/15/79/1004511579.db2.gz RPLMJMRYQIQUKO-OALUTQOASA-N 2 1 407.002 3.820 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000501553744 1004511591 /nfs/dbraw/zinc/51/15/91/1004511591.db2.gz RPLMJMRYQIQUKO-OALUTQOASA-N 2 1 407.002 3.820 20 0 HHADMP FC(F)OC[C@@H]1CC[NH+](Cc2ccc(C[N@@H+]3CC[C@H](COC(F)F)C3)cc2)C1 ZINC000512796585 1004564082 /nfs/dbraw/zinc/56/40/82/1004564082.db2.gz IMLPFOBXKJCOIW-HDICACEKSA-N 2 1 404.448 3.809 20 0 HHADMP FC(F)OC[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CC[C@H](COC(F)F)C3)cc2)C1 ZINC000512796585 1004564088 /nfs/dbraw/zinc/56/40/88/1004564088.db2.gz IMLPFOBXKJCOIW-HDICACEKSA-N 2 1 404.448 3.809 20 0 HHADMP FC(F)OC[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CC[C@H](COC(F)F)C3)cc2)C1 ZINC000512796585 1004564093 /nfs/dbraw/zinc/56/40/93/1004564093.db2.gz IMLPFOBXKJCOIW-HDICACEKSA-N 2 1 404.448 3.809 20 0 HHADMP FC(F)OC[C@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@H](COC(F)F)C2)C1 ZINC000512821664 1004580549 /nfs/dbraw/zinc/58/05/49/1004580549.db2.gz CWFMIPVCUKVORZ-HOTGVXAUSA-N 2 1 404.448 3.809 20 0 HHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510484734 1004601584 /nfs/dbraw/zinc/60/15/84/1004601584.db2.gz YMCYYQVJWFWGCD-PZJWPPBQSA-N 2 1 400.611 3.981 20 0 HHADMP CC[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCc2ccccc2C1 ZINC000510501533 1004622345 /nfs/dbraw/zinc/62/23/45/1004622345.db2.gz MGVGQQNGPGGRMV-IEIRFRATSA-N 2 1 412.622 3.776 20 0 HHADMP CC[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000510501533 1004622347 /nfs/dbraw/zinc/62/23/47/1004622347.db2.gz MGVGQQNGPGGRMV-IEIRFRATSA-N 2 1 412.622 3.776 20 0 HHADMP CC[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000510501533 1004622352 /nfs/dbraw/zinc/62/23/52/1004622352.db2.gz MGVGQQNGPGGRMV-IEIRFRATSA-N 2 1 412.622 3.776 20 0 HHADMP CCc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)[NH+](C)C)cc1 ZINC000510525344 1004654623 /nfs/dbraw/zinc/65/46/23/1004654623.db2.gz MWAPZZQVBROGHV-ZEYPLWLESA-N 2 1 400.611 3.804 20 0 HHADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000501770907 1004708697 /nfs/dbraw/zinc/70/86/97/1004708697.db2.gz FAUVHKNYNBTCIF-UHFFFAOYSA-N 2 1 404.530 3.755 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000501770907 1004708702 /nfs/dbraw/zinc/70/87/02/1004708702.db2.gz FAUVHKNYNBTCIF-UHFFFAOYSA-N 2 1 404.530 3.755 20 0 HHADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000501779751 1004719455 /nfs/dbraw/zinc/71/94/55/1004719455.db2.gz YRMYGCTWJIGTLN-NRFANRHFSA-N 2 1 412.603 3.633 20 0 HHADMP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)CC1 ZINC000501789483 1004732143 /nfs/dbraw/zinc/73/21/43/1004732143.db2.gz LLEFRFOJRQLKBJ-UHFFFAOYSA-N 2 1 409.578 3.742 20 0 HHADMP O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000512971775 1004738410 /nfs/dbraw/zinc/73/84/10/1004738410.db2.gz LNCQATFVQUCFFB-UHFFFAOYSA-N 2 1 400.954 3.527 20 0 HHADMP C[C@@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000501830766 1004764018 /nfs/dbraw/zinc/76/40/18/1004764018.db2.gz ODIWQABZLMIRAX-GHTZIAJQSA-N 2 1 412.603 3.631 20 0 HHADMP C[C@@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000501830766 1004764024 /nfs/dbraw/zinc/76/40/24/1004764024.db2.gz ODIWQABZLMIRAX-GHTZIAJQSA-N 2 1 412.603 3.631 20 0 HHADMP CC[NH+](CC)Cc1ccc(C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000513114888 1004814375 /nfs/dbraw/zinc/81/43/75/1004814375.db2.gz JAHPZFLHQBOVMJ-HXUWFJFHSA-N 2 1 409.574 3.679 20 0 HHADMP CC[NH+](CC)Cc1ccc(C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000513114888 1004814390 /nfs/dbraw/zinc/81/43/90/1004814390.db2.gz JAHPZFLHQBOVMJ-HXUWFJFHSA-N 2 1 409.574 3.679 20 0 HHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCc4ccc(Br)cc43)cc2)CC1 ZINC000510737759 1004824807 /nfs/dbraw/zinc/82/48/07/1004824807.db2.gz PCPJPMULCKWZMQ-QFIPXVFZSA-N 2 1 414.391 3.974 20 0 HHADMP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000502018208 1004864005 /nfs/dbraw/zinc/86/40/05/1004864005.db2.gz SDWZVMWIEXPOHH-AJSBUHFISA-N 2 1 400.611 3.713 20 0 HHADMP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000502018208 1004864012 /nfs/dbraw/zinc/86/40/12/1004864012.db2.gz SDWZVMWIEXPOHH-AJSBUHFISA-N 2 1 400.611 3.713 20 0 HHADMP CC[C@H](C)[C@H]1C[NH+](Cc2ccc(C)nc2)CCN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000502018208 1004864018 /nfs/dbraw/zinc/86/40/18/1004864018.db2.gz SDWZVMWIEXPOHH-AJSBUHFISA-N 2 1 400.611 3.713 20 0 HHADMP CC[C@H](C)[C@H]1C[NH+](Cc2ccc(C)nc2)CCN1C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000502018208 1004864025 /nfs/dbraw/zinc/86/40/25/1004864025.db2.gz SDWZVMWIEXPOHH-AJSBUHFISA-N 2 1 400.611 3.713 20 0 HHADMP O=C(Cc1ccccc1)N1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000510942855 1004946267 /nfs/dbraw/zinc/94/62/67/1004946267.db2.gz COFSSEYCCZCXJR-KEVKATSASA-N 2 1 417.597 3.720 20 0 HHADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000513420525 1004958150 /nfs/dbraw/zinc/95/81/50/1004958150.db2.gz PFXYLHUZCOPEHB-NRFANRHFSA-N 2 1 404.599 3.540 20 0 HHADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000513420525 1004958159 /nfs/dbraw/zinc/95/81/59/1004958159.db2.gz PFXYLHUZCOPEHB-NRFANRHFSA-N 2 1 404.599 3.540 20 0 HHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H](Cc3ccccn3)c3cccnc3)c2)CCO1 ZINC000513539508 1005012518 /nfs/dbraw/zinc/01/25/18/1005012518.db2.gz QQQWYIVUSMPHLH-CPJSRVTESA-N 2 1 402.542 3.771 20 0 HHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H](Cc3ccccn3)c3cccnc3)c2)CCO1 ZINC000513539508 1005012524 /nfs/dbraw/zinc/01/25/24/1005012524.db2.gz QQQWYIVUSMPHLH-CPJSRVTESA-N 2 1 402.542 3.771 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C[C@H](C)O1 ZINC000511166655 1005054869 /nfs/dbraw/zinc/05/48/69/1005054869.db2.gz DJAXMBTXBVNVJA-TYBLODHISA-N 2 1 421.585 3.577 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C[C@H](C)O1 ZINC000511166655 1005054876 /nfs/dbraw/zinc/05/48/76/1005054876.db2.gz DJAXMBTXBVNVJA-TYBLODHISA-N 2 1 421.585 3.577 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C[C@H](C)O1 ZINC000511166655 1005054881 /nfs/dbraw/zinc/05/48/81/1005054881.db2.gz DJAXMBTXBVNVJA-TYBLODHISA-N 2 1 421.585 3.577 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C[C@H](C)O1 ZINC000511166655 1005054888 /nfs/dbraw/zinc/05/48/88/1005054888.db2.gz DJAXMBTXBVNVJA-TYBLODHISA-N 2 1 421.585 3.577 20 0 HHADMP CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CC2 ZINC000513692305 1005084565 /nfs/dbraw/zinc/08/45/65/1005084565.db2.gz YYHAWTVUIDKVHO-BXXSPATCSA-N 2 1 407.606 3.997 20 0 HHADMP C[C@H](CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000502476209 1005087206 /nfs/dbraw/zinc/08/72/06/1005087206.db2.gz XIQHKWMVJGLKMO-QUVATAORSA-N 2 1 412.622 3.776 20 0 HHADMP COc1cccc([C@H]2C[N@H+](Cc3ccccc3N(C)C3CC[NH+](C)CC3)CCO2)c1 ZINC000513713269 1005092865 /nfs/dbraw/zinc/09/28/65/1005092865.db2.gz MZHQEEIIUHCFBK-RUZDIDTESA-N 2 1 409.574 3.799 20 0 HHADMP COc1cccc([C@H]2C[N@@H+](Cc3ccccc3N(C)C3CC[NH+](C)CC3)CCO2)c1 ZINC000513713269 1005092871 /nfs/dbraw/zinc/09/28/71/1005092871.db2.gz MZHQEEIIUHCFBK-RUZDIDTESA-N 2 1 409.574 3.799 20 0 HHADMP C[C@@H](NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511264637 1005097518 /nfs/dbraw/zinc/09/75/18/1005097518.db2.gz GNAPRKGDUHLXKV-IRLDBZIGSA-N 2 1 404.643 3.937 20 0 HHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1 ZINC000511376115 1005146453 /nfs/dbraw/zinc/14/64/53/1005146453.db2.gz GDKARSCEBHRVHQ-XZOQPEGZSA-N 2 1 401.982 3.953 20 0 HHADMP O=C(NCCC[NH+]1CCCC1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000502671540 1005172373 /nfs/dbraw/zinc/17/23/73/1005172373.db2.gz SDYMNPQUKCSLRR-UHFFFAOYSA-N 2 1 404.558 3.570 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000513891127 1005175458 /nfs/dbraw/zinc/17/54/58/1005175458.db2.gz APBKVIVHZACPIS-QDSKXPNFSA-N 2 1 406.574 3.958 20 0 HHADMP C[C@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511439990 1005177360 /nfs/dbraw/zinc/17/73/60/1005177360.db2.gz UKTAAPMOLZIFFO-ICSRJNTNSA-N 2 1 418.651 3.912 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)c1cccs1 ZINC000513904875 1005180510 /nfs/dbraw/zinc/18/05/10/1005180510.db2.gz CMEVDLRVVWVABO-NRFANRHFSA-N 2 1 414.619 3.701 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)[NH+]2CCCC2)o1 ZINC000511463875 1005187089 /nfs/dbraw/zinc/18/70/89/1005187089.db2.gz QCHCYVNIUSMMGD-ZJOUEHCJSA-N 2 1 402.583 3.677 20 0 HHADMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000511548192 1005219555 /nfs/dbraw/zinc/21/95/55/1005219555.db2.gz UASGSYAEPFNWPF-PZUNEJSGSA-N 2 1 420.601 3.686 20 0 HHADMP CCC[NH+]1CC[C@H](CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000511548192 1005219558 /nfs/dbraw/zinc/21/95/58/1005219558.db2.gz UASGSYAEPFNWPF-PZUNEJSGSA-N 2 1 420.601 3.686 20 0 HHADMP CCC[NH+]1CC[C@H](CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000511548192 1005219565 /nfs/dbraw/zinc/21/95/65/1005219565.db2.gz UASGSYAEPFNWPF-PZUNEJSGSA-N 2 1 420.601 3.686 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[NH+](C)C ZINC000502821333 1005232181 /nfs/dbraw/zinc/23/21/81/1005232181.db2.gz FJLVMXNYFLVFAM-AOMIVXANSA-N 2 1 416.610 3.640 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000511586600 1005235005 /nfs/dbraw/zinc/23/50/05/1005235005.db2.gz PJAHOWKJUFCAEP-JOCHJYFZSA-N 2 1 400.611 3.708 20 0 HHADMP CC1CC[NH+](C2CCC(NC(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)CC2)CC1 ZINC000502833192 1005237671 /nfs/dbraw/zinc/23/76/71/1005237671.db2.gz SUDRODSITYQBMD-YHBJDUNFSA-N 2 1 402.627 3.688 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000511600128 1005240657 /nfs/dbraw/zinc/24/06/57/1005240657.db2.gz RKFTUXWVBVXVLM-VXKWHMMOSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000511600128 1005240660 /nfs/dbraw/zinc/24/06/60/1005240660.db2.gz RKFTUXWVBVXVLM-VXKWHMMOSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000511600128 1005240664 /nfs/dbraw/zinc/24/06/64/1005240664.db2.gz RKFTUXWVBVXVLM-VXKWHMMOSA-N 2 1 400.611 3.564 20 0 HHADMP COc1cccc([C@@H](CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)[NH+]2CCCC2)c1 ZINC000502843696 1005241044 /nfs/dbraw/zinc/24/10/44/1005241044.db2.gz JPRXXRPXNIPTDH-NFBKMPQASA-N 2 1 416.610 3.786 20 0 HHADMP COc1ccc([C@@H](CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000502863393 1005248612 /nfs/dbraw/zinc/24/86/12/1005248612.db2.gz QCAVKUNAHYDOPY-NZQKXSOJSA-N 2 1 416.610 3.786 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[NH+]1CCCC1 ZINC000502863940 1005249065 /nfs/dbraw/zinc/24/90/65/1005249065.db2.gz SFMRPCIGEBGTGO-UNMCSNQZSA-N 2 1 416.610 3.643 20 0 HHADMP CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N1CC[NH+](C)CC1 ZINC000514094994 1005262831 /nfs/dbraw/zinc/26/28/31/1005262831.db2.gz PGXGSODEMWYUTI-POTDNYQPSA-N 3 1 412.666 3.539 20 0 HHADMP CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N1CCN(C)CC1 ZINC000514094994 1005262836 /nfs/dbraw/zinc/26/28/36/1005262836.db2.gz PGXGSODEMWYUTI-POTDNYQPSA-N 2 1 412.666 3.539 20 0 HHADMP CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N1CCN(C)CC1 ZINC000514094994 1005262842 /nfs/dbraw/zinc/26/28/42/1005262842.db2.gz PGXGSODEMWYUTI-POTDNYQPSA-N 2 1 412.666 3.539 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)CC1 ZINC000514114823 1005272247 /nfs/dbraw/zinc/27/22/47/1005272247.db2.gz KRMWIUXEAKFOIJ-UHFFFAOYSA-N 2 1 414.638 3.849 20 0 HHADMP CO[C@@H](C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(Cl)cc1 ZINC000514142693 1005286952 /nfs/dbraw/zinc/28/69/52/1005286952.db2.gz VLJHESFFLLGTRY-SVMVAKDDSA-N 2 1 410.986 3.618 20 0 HHADMP CO[C@@H](C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(Cl)cc1 ZINC000514142693 1005286956 /nfs/dbraw/zinc/28/69/56/1005286956.db2.gz VLJHESFFLLGTRY-SVMVAKDDSA-N 2 1 410.986 3.618 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000514235588 1005325737 /nfs/dbraw/zinc/32/57/37/1005325737.db2.gz FSHGQIFCXWFULH-GOTSBHOMSA-N 2 1 415.626 3.588 20 0 HHADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCOc1cccc(I)c1 ZINC000503077072 1005340822 /nfs/dbraw/zinc/34/08/22/1005340822.db2.gz XDVXEIPBTNFZHM-UHFFFAOYSA-N 2 1 413.303 3.587 20 0 HHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCOc1cccc(I)c1 ZINC000503077072 1005340827 /nfs/dbraw/zinc/34/08/27/1005340827.db2.gz XDVXEIPBTNFZHM-UHFFFAOYSA-N 2 1 413.303 3.587 20 0 HHADMP COc1ccc(NC(=O)C2([NH2+]CCCCn3cc[nH+]c3C)CCCC2)cc1OC ZINC000503077505 1005341105 /nfs/dbraw/zinc/34/11/05/1005341105.db2.gz ZISRHZSLVWPQAP-UHFFFAOYSA-N 2 1 400.523 3.530 20 0 HHADMP O=C(NCC[NH+]1CCCCC1)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000503090510 1005344708 /nfs/dbraw/zinc/34/47/08/1005344708.db2.gz QNJNPJPWURREAD-OAQYLSRUSA-N 2 1 412.603 3.633 20 0 HHADMP O=C(NCC[NH+]1CCCCC1)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000503090510 1005344712 /nfs/dbraw/zinc/34/47/12/1005344712.db2.gz QNJNPJPWURREAD-OAQYLSRUSA-N 2 1 412.603 3.633 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[NH+](C)C ZINC000503110007 1005349451 /nfs/dbraw/zinc/34/94/51/1005349451.db2.gz SDDGXLIBEQDJDR-GHTZIAJQSA-N 2 1 412.578 3.727 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)[NH+](C)C ZINC000503110008 1005349634 /nfs/dbraw/zinc/34/96/34/1005349634.db2.gz SDDGXLIBEQDJDR-NQIIRXRSSA-N 2 1 412.578 3.727 20 0 HHADMP CN(C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000503110582 1005349740 /nfs/dbraw/zinc/34/97/40/1005349740.db2.gz MEDCIQOFCUOXGS-QHCPKHFHSA-N 2 1 406.574 3.567 20 0 HHADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000503209953 1005369124 /nfs/dbraw/zinc/36/91/24/1005369124.db2.gz WIYFXJFURIUASV-RUZDIDTESA-N 2 1 420.601 3.646 20 0 HHADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccc3c(c2)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000531188787 1006034399 /nfs/dbraw/zinc/03/43/99/1006034399.db2.gz BHGZDZILAHUUME-WIYYLYMNSA-N 2 1 409.530 3.729 20 0 HHADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccc3c(c2)OCO3)CC[N@H+]1Cc1ccccc1 ZINC000531188787 1006034411 /nfs/dbraw/zinc/03/44/11/1006034411.db2.gz BHGZDZILAHUUME-WIYYLYMNSA-N 2 1 409.530 3.729 20 0 HHADMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccc3c(c2)OCO3)CC[NH+]1Cc1ccccc1 ZINC000531188787 1006034425 /nfs/dbraw/zinc/03/44/25/1006034425.db2.gz BHGZDZILAHUUME-WIYYLYMNSA-N 2 1 409.530 3.729 20 0 HHADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccc3c(c2)OCO3)CC[NH+]1Cc1ccccc1 ZINC000531188787 1006034429 /nfs/dbraw/zinc/03/44/29/1006034429.db2.gz BHGZDZILAHUUME-WIYYLYMNSA-N 2 1 409.530 3.729 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(OCC(F)F)c1 ZINC000514762219 1006114420 /nfs/dbraw/zinc/11/44/20/1006114420.db2.gz IXPYSJFCRIDYIJ-GOSISDBHSA-N 2 1 412.525 3.519 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000534181440 1006169085 /nfs/dbraw/zinc/16/90/85/1006169085.db2.gz FOWCWPQJODMGAN-JWQCQUIFSA-N 2 1 423.601 3.531 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000534181440 1006169091 /nfs/dbraw/zinc/16/90/91/1006169091.db2.gz FOWCWPQJODMGAN-JWQCQUIFSA-N 2 1 423.601 3.531 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000534181440 1006169098 /nfs/dbraw/zinc/16/90/98/1006169098.db2.gz FOWCWPQJODMGAN-JWQCQUIFSA-N 2 1 423.601 3.531 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000534181158 1006169204 /nfs/dbraw/zinc/16/92/04/1006169204.db2.gz GSKNFKRPUXYISW-DQEYMECFSA-N 2 1 423.601 3.531 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000534181158 1006169211 /nfs/dbraw/zinc/16/92/11/1006169211.db2.gz GSKNFKRPUXYISW-DQEYMECFSA-N 2 1 423.601 3.531 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000534181158 1006169217 /nfs/dbraw/zinc/16/92/17/1006169217.db2.gz GSKNFKRPUXYISW-DQEYMECFSA-N 2 1 423.601 3.531 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1cccc2c1ccn2C ZINC000531426477 1006187233 /nfs/dbraw/zinc/18/72/33/1006187233.db2.gz ZJUBHXQQOWAJBA-UHFFFAOYSA-N 2 1 411.594 3.838 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)Nc2cccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2)CC1 ZINC000531443481 1006200430 /nfs/dbraw/zinc/20/04/30/1006200430.db2.gz OZIFNTZIZKIWFD-WOJBJXKFSA-N 2 1 422.573 3.854 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000531455215 1006208029 /nfs/dbraw/zinc/20/80/29/1006208029.db2.gz RFKJEFJPNWWCPM-NFBKMPQASA-N 2 1 406.574 3.633 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534226361 1006223795 /nfs/dbraw/zinc/22/37/95/1006223795.db2.gz KHINQDTWCTXGFX-LLGFUMIMSA-N 2 1 422.976 3.788 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534226361 1006223804 /nfs/dbraw/zinc/22/38/04/1006223804.db2.gz KHINQDTWCTXGFX-LLGFUMIMSA-N 2 1 422.976 3.788 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534226361 1006223816 /nfs/dbraw/zinc/22/38/16/1006223816.db2.gz KHINQDTWCTXGFX-LLGFUMIMSA-N 2 1 422.976 3.788 20 0 HHADMP O=C(C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)Nc1ccnn1C1CCCC1 ZINC000534230349 1006229503 /nfs/dbraw/zinc/22/95/03/1006229503.db2.gz SWYBPTIFVOHNBM-UHFFFAOYSA-N 2 1 421.589 3.925 20 0 HHADMP O=C(C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)Nc1ccnn1C1CCCC1 ZINC000534230349 1006229514 /nfs/dbraw/zinc/22/95/14/1006229514.db2.gz SWYBPTIFVOHNBM-UHFFFAOYSA-N 2 1 421.589 3.925 20 0 HHADMP CC1CC[NH+](CCCNC(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534250094 1006257323 /nfs/dbraw/zinc/25/73/23/1006257323.db2.gz IJNTUNYTBZTDLO-GHTZIAJQSA-N 2 1 424.992 3.893 20 0 HHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCSCCOc1cccc(Br)c1 ZINC000531715212 1006374378 /nfs/dbraw/zinc/37/43/78/1006374378.db2.gz ABCQMOUJVSHVRF-RKVPGOIHSA-N 2 1 401.414 3.879 20 0 HHADMP CN(c1ccccc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000531851195 1006472057 /nfs/dbraw/zinc/47/20/57/1006472057.db2.gz KAPUIFZOCFGHQI-UHFFFAOYSA-N 3 1 406.618 3.755 20 0 HHADMP CN(c1ccccc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000531851195 1006472065 /nfs/dbraw/zinc/47/20/65/1006472065.db2.gz KAPUIFZOCFGHQI-UHFFFAOYSA-N 3 1 406.618 3.755 20 0 HHADMP CN(c1ccccc1CNCCC[N@@H+]1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000531851195 1006472072 /nfs/dbraw/zinc/47/20/72/1006472072.db2.gz KAPUIFZOCFGHQI-UHFFFAOYSA-N 2 1 406.618 3.755 20 0 HHADMP CN(c1ccccc1CNCCC[N@H+]1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000531851195 1006472077 /nfs/dbraw/zinc/47/20/77/1006472077.db2.gz KAPUIFZOCFGHQI-UHFFFAOYSA-N 2 1 406.618 3.755 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000531885193 1006499002 /nfs/dbraw/zinc/49/90/02/1006499002.db2.gz KYSREZFDOPIAQU-PMACEKPBSA-N 2 1 400.611 3.659 20 0 HHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000534560250 1006550930 /nfs/dbraw/zinc/55/09/30/1006550930.db2.gz VNEXSTVPWLIYGJ-OAQYLSRUSA-N 2 1 400.592 3.788 20 0 HHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000534560250 1006550936 /nfs/dbraw/zinc/55/09/36/1006550936.db2.gz VNEXSTVPWLIYGJ-OAQYLSRUSA-N 2 1 400.592 3.788 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCN2CCN(C(=O)C3CCCCC3)CC2)cc1 ZINC000531973426 1006554195 /nfs/dbraw/zinc/55/41/95/1006554195.db2.gz JUFUWFYCXSSMEX-HXUWFJFHSA-N 2 1 423.605 3.556 20 0 HHADMP COc1cc(C[C@H](CO)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc(OC)c1 ZINC000531994965 1006566772 /nfs/dbraw/zinc/56/67/72/1006566772.db2.gz VWDWZCDPQGSLRF-PXNSSMCTSA-N 2 1 409.530 3.700 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)NCCc1ccc(F)cc1 ZINC000515756233 1006645483 /nfs/dbraw/zinc/64/54/83/1006645483.db2.gz SGZKBQGKWFQNRF-PMACEKPBSA-N 2 1 411.565 3.895 20 0 HHADMP C[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1c1ccccc1 ZINC000534682824 1006662542 /nfs/dbraw/zinc/66/25/42/1006662542.db2.gz MVRJEQZEMJRUEK-RPWUZVMVSA-N 2 1 406.574 3.917 20 0 HHADMP C[N@H+]1CC[C@@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000534720395 1006707091 /nfs/dbraw/zinc/70/70/91/1006707091.db2.gz ADVJBVANPOEKQQ-RPWUZVMVSA-N 2 1 406.574 3.738 20 0 HHADMP CC(=O)c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000515874117 1006729832 /nfs/dbraw/zinc/72/98/32/1006729832.db2.gz FDENRCGDCCAHII-CYFREDJKSA-N 2 1 410.558 3.651 20 0 HHADMP C[C@H](CNC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C[NH+]1CCCC1 ZINC000515876142 1006731690 /nfs/dbraw/zinc/73/16/90/1006731690.db2.gz MJIXWHOYOGROOU-JOCHJYFZSA-N 2 1 420.601 3.835 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)[C@H](C)C1 ZINC000532223664 1006733417 /nfs/dbraw/zinc/73/34/17/1006733417.db2.gz RPWBRLRIIPEVMS-XMSQKQJNSA-N 2 1 422.013 3.671 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)c1cccs1 ZINC000534789544 1006791405 /nfs/dbraw/zinc/79/14/05/1006791405.db2.gz OCRQWPNARMCBHE-ZHALLVOQSA-N 2 1 406.983 3.749 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)c1cccs1 ZINC000534789544 1006791419 /nfs/dbraw/zinc/79/14/19/1006791419.db2.gz OCRQWPNARMCBHE-ZHALLVOQSA-N 2 1 406.983 3.749 20 0 HHADMP C[NH+]1CCN(c2ncc(C[N@H+](Cc3ccccc3)[C@H]3CC(C)(C)OC3(C)C)cn2)CC1 ZINC000538569947 1006836361 /nfs/dbraw/zinc/83/63/61/1006836361.db2.gz JQOKYSHWWKOYBQ-QFIPXVFZSA-N 2 1 423.605 3.577 20 0 HHADMP C[NH+]1CCN(c2ncc(C[N@@H+](Cc3ccccc3)[C@H]3CC(C)(C)OC3(C)C)cn2)CC1 ZINC000538569947 1006836378 /nfs/dbraw/zinc/83/63/78/1006836378.db2.gz JQOKYSHWWKOYBQ-QFIPXVFZSA-N 2 1 423.605 3.577 20 0 HHADMP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000532393914 1006841812 /nfs/dbraw/zinc/84/18/12/1006841812.db2.gz YIZJUAWXCGLNBX-MRXNPFEDSA-N 2 1 408.575 3.511 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc3ccccc3cc2OC(F)F)CC1 ZINC000534873076 1006900782 /nfs/dbraw/zinc/90/07/82/1006900782.db2.gz BRZPABLDIHWTMF-UHFFFAOYSA-N 2 1 412.440 3.840 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)CC[NH+]2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538661369 1006935220 /nfs/dbraw/zinc/93/52/20/1006935220.db2.gz DTWSHTNXTMZZSG-VQTJNVASSA-N 2 1 410.965 3.740 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N(C)CC[NH+]2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538661369 1006935232 /nfs/dbraw/zinc/93/52/32/1006935232.db2.gz DTWSHTNXTMZZSG-VQTJNVASSA-N 2 1 410.965 3.740 20 0 HHADMP Cc1nc(-c2ccc(C)cc2)c(CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)s1 ZINC000516207155 1006944286 /nfs/dbraw/zinc/94/42/86/1006944286.db2.gz YELQHWZWHVRQJD-UHFFFAOYSA-N 2 1 421.570 3.755 20 0 HHADMP CN(CC[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1)C1CC[NH+](C)CC1 ZINC000534954828 1006998878 /nfs/dbraw/zinc/99/88/78/1006998878.db2.gz PLCLRSUUAFQZML-UHFFFAOYSA-N 2 1 417.601 3.997 20 0 HHADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000538724939 1007003634 /nfs/dbraw/zinc/00/36/34/1007003634.db2.gz KGFIMBUEYZSVHF-IBGZPJMESA-N 2 1 418.626 3.928 20 0 HHADMP C[N@H+](CCNC(=O)C1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1)Cc1ccccc1 ZINC000538734893 1007016322 /nfs/dbraw/zinc/01/63/22/1007016322.db2.gz JNYPYGAFAWEVJM-UHFFFAOYSA-N 2 1 417.956 3.939 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1)Cc1ccccc1 ZINC000538734893 1007016338 /nfs/dbraw/zinc/01/63/38/1007016338.db2.gz JNYPYGAFAWEVJM-UHFFFAOYSA-N 2 1 417.956 3.939 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cnc(C4CCCC4)s3)c2)C1 ZINC000532616005 1007041226 /nfs/dbraw/zinc/04/12/26/1007041226.db2.gz BWOPJRNHZWSPPF-HXUWFJFHSA-N 2 1 412.603 3.788 20 0 HHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000532627872 1007050389 /nfs/dbraw/zinc/05/03/89/1007050389.db2.gz PWABMWQDQKFQLU-YADHBBJMSA-N 2 1 402.970 3.610 20 0 HHADMP C[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000538780569 1007061707 /nfs/dbraw/zinc/06/17/07/1007061707.db2.gz HASWSOHWVFFBNC-GOSISDBHSA-N 2 1 405.521 3.885 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000538796501 1007077254 /nfs/dbraw/zinc/07/72/54/1007077254.db2.gz JUNSLBJIZCKGDM-WXFUMESZSA-N 2 1 417.557 3.618 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000538796501 1007077267 /nfs/dbraw/zinc/07/72/67/1007077267.db2.gz JUNSLBJIZCKGDM-WXFUMESZSA-N 2 1 417.557 3.618 20 0 HHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538855032 1007129060 /nfs/dbraw/zinc/12/90/60/1007129060.db2.gz JOEKHKOGLOQARW-NRFANRHFSA-N 2 1 401.599 3.594 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCc2ccc(-c3ccccc3F)o2)CC1 ZINC000516624064 1007200908 /nfs/dbraw/zinc/20/09/08/1007200908.db2.gz GEGIRBZUJSJSAW-UHFFFAOYSA-N 2 1 408.477 3.804 20 0 HHADMP CC(=O)c1ccc(NC(=O)CC[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000538942754 1007226704 /nfs/dbraw/zinc/22/67/04/1007226704.db2.gz GLGMQYRQWVNYHE-UHFFFAOYSA-N 2 1 408.546 3.851 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)COc1ccccc1Cl ZINC000538944136 1007228375 /nfs/dbraw/zinc/22/83/75/1007228375.db2.gz MVBUMIKKYZHJBE-HXUWFJFHSA-N 2 1 403.954 3.713 20 0 HHADMP C[N@@H+](CCCS(=O)(=O)c1ccc(F)cc1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538944343 1007228718 /nfs/dbraw/zinc/22/87/18/1007228718.db2.gz OPLJBLAXKMCDQC-UHFFFAOYSA-N 2 1 419.566 3.623 20 0 HHADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000516765782 1007280291 /nfs/dbraw/zinc/28/02/91/1007280291.db2.gz QNJQKUUXHFLGTM-RBBKRZOGSA-N 2 1 413.537 3.974 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000539004841 1007303239 /nfs/dbraw/zinc/30/32/39/1007303239.db2.gz XVKGJUDJCZKUMR-SFTDATJTSA-N 2 1 421.589 3.602 20 0 HHADMP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CC1 ZINC000535269501 1007320301 /nfs/dbraw/zinc/32/03/01/1007320301.db2.gz KVHFGCKEMKLCAM-XMMPIXPASA-N 2 1 406.574 3.727 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CC1 ZINC000535269501 1007320314 /nfs/dbraw/zinc/32/03/14/1007320314.db2.gz KVHFGCKEMKLCAM-XMMPIXPASA-N 2 1 406.574 3.727 20 0 HHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000535269501 1007320327 /nfs/dbraw/zinc/32/03/27/1007320327.db2.gz KVHFGCKEMKLCAM-XMMPIXPASA-N 2 1 406.574 3.727 20 0 HHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000535269501 1007320341 /nfs/dbraw/zinc/32/03/41/1007320341.db2.gz KVHFGCKEMKLCAM-XMMPIXPASA-N 2 1 406.574 3.727 20 0 HHADMP Clc1cc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc2c1OCCO2 ZINC000539075149 1007366269 /nfs/dbraw/zinc/36/62/69/1007366269.db2.gz XTOWMEDJHRPJIF-UHFFFAOYSA-N 2 1 400.950 3.950 20 0 HHADMP CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000533064102 1007426067 /nfs/dbraw/zinc/42/60/67/1007426067.db2.gz XCBXUURCVJJIPJ-RUZDIDTESA-N 2 1 409.549 3.980 20 0 HHADMP CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000533064102 1007426072 /nfs/dbraw/zinc/42/60/72/1007426072.db2.gz XCBXUURCVJJIPJ-RUZDIDTESA-N 2 1 409.549 3.980 20 0 HHADMP CN1CC[C@@H]([NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)C[C@@H]1c1ccccc1 ZINC000517226229 1007510624 /nfs/dbraw/zinc/51/06/24/1007510624.db2.gz HCDMAMQYBHOLKK-CYXNTTPDSA-N 2 1 406.618 3.790 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000533181519 1007522664 /nfs/dbraw/zinc/52/26/64/1007522664.db2.gz CCMGJOHVXXOKQQ-FQEVSTJZSA-N 2 1 402.583 3.747 20 0 HHADMP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000539266268 1007561484 /nfs/dbraw/zinc/56/14/84/1007561484.db2.gz YWLBEGISFMXPRO-SXWKCWPCSA-N 2 1 409.574 3.904 20 0 HHADMP Cc1cc(-c2nnc(C[NH+]3CCC(CC[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)o2)c(C)o1 ZINC000535552990 1007590198 /nfs/dbraw/zinc/59/01/98/1007590198.db2.gz GXMWQPSXAVPQKO-IAGOWNOFSA-N 2 1 402.539 3.658 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2ccc(C(=O)OC)o2)CC1 ZINC000539312051 1007610960 /nfs/dbraw/zinc/61/09/60/1007610960.db2.gz GQNCSJSLKXNASK-CVEARBPZSA-N 2 1 403.498 3.759 20 0 HHADMP O=C(NCCC[NH+]1CCCC1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000517527317 1007747266 /nfs/dbraw/zinc/74/72/66/1007747266.db2.gz LEEMSHMOIQBGBW-UHFFFAOYSA-N 2 1 413.393 3.743 20 0 HHADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000517540345 1007755114 /nfs/dbraw/zinc/75/51/14/1007755114.db2.gz XITRFOCPEJIWOP-GBXCKJPGSA-N 2 1 424.564 3.879 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000517540345 1007755122 /nfs/dbraw/zinc/75/51/22/1007755122.db2.gz XITRFOCPEJIWOP-GBXCKJPGSA-N 2 1 424.564 3.879 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000517540345 1007755130 /nfs/dbraw/zinc/75/51/30/1007755130.db2.gz XITRFOCPEJIWOP-GBXCKJPGSA-N 2 1 424.564 3.879 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000517540345 1007755142 /nfs/dbraw/zinc/75/51/42/1007755142.db2.gz XITRFOCPEJIWOP-GBXCKJPGSA-N 2 1 424.564 3.879 20 0 HHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3-c3ccccc3)C2)CC1 ZINC000533445568 1007760365 /nfs/dbraw/zinc/76/03/65/1007760365.db2.gz ODWMMCLSFJELMY-FYYLOGMGSA-N 2 1 420.601 3.781 20 0 HHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3-c3ccccc3)C2)CC1 ZINC000533445568 1007760376 /nfs/dbraw/zinc/76/03/76/1007760376.db2.gz ODWMMCLSFJELMY-FYYLOGMGSA-N 2 1 420.601 3.781 20 0 HHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](C)C(C)(C)c3ccccc3)CC2)cc1 ZINC000539492250 1007803427 /nfs/dbraw/zinc/80/34/27/1007803427.db2.gz MTXRVMJLQKUCDD-OAQYLSRUSA-N 2 1 423.601 3.685 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](C)C(C)(C)c3ccccc3)CC2)cc1 ZINC000539492250 1007803435 /nfs/dbraw/zinc/80/34/35/1007803435.db2.gz MTXRVMJLQKUCDD-OAQYLSRUSA-N 2 1 423.601 3.685 20 0 HHADMP CCCC[NH+]1CCC(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000517606598 1007809219 /nfs/dbraw/zinc/80/92/19/1007809219.db2.gz DRQRFCUDLPVHEN-OAQYLSRUSA-N 2 1 411.512 3.822 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C3CCC(c4ccc(O)cc4)CC3)c2)C1 ZINC000539501708 1007812493 /nfs/dbraw/zinc/81/24/93/1007812493.db2.gz GQYTXOCQLUBHLK-RZMWZJFBSA-N 2 1 421.585 3.906 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000535809208 1007819609 /nfs/dbraw/zinc/81/96/09/1007819609.db2.gz LJXUAWLABZONKU-VJBWXMMDSA-N 2 1 410.606 3.912 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000535809208 1007819618 /nfs/dbraw/zinc/81/96/18/1007819618.db2.gz LJXUAWLABZONKU-VJBWXMMDSA-N 2 1 410.606 3.912 20 0 HHADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000517636937 1007846097 /nfs/dbraw/zinc/84/60/97/1007846097.db2.gz CESUFMHTBYIQFI-ARNLJNQMSA-N 2 1 424.633 3.947 20 0 HHADMP O=C(NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000517636937 1007846103 /nfs/dbraw/zinc/84/61/03/1007846103.db2.gz CESUFMHTBYIQFI-ARNLJNQMSA-N 2 1 424.633 3.947 20 0 HHADMP O=C(NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000517636937 1007846114 /nfs/dbraw/zinc/84/61/14/1007846114.db2.gz CESUFMHTBYIQFI-ARNLJNQMSA-N 2 1 424.633 3.947 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000517653465 1007866257 /nfs/dbraw/zinc/86/62/57/1007866257.db2.gz UYLAGFOJBAEKGY-VWNXMTODSA-N 2 1 420.601 3.541 20 0 HHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000535943022 1007975854 /nfs/dbraw/zinc/97/58/54/1007975854.db2.gz JGWCXSQBEAQTLD-YKSBVNFPSA-N 2 1 412.622 3.934 20 0 HHADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2c(Cl)cccc2N2CCCC2)cc1 ZINC000539708409 1008026075 /nfs/dbraw/zinc/02/60/75/1008026075.db2.gz YJAUXXTYUKVPKP-UHFFFAOYSA-N 2 1 414.981 3.521 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000517884055 1008028720 /nfs/dbraw/zinc/02/87/20/1008028720.db2.gz XPEWMOYKTXBXTH-PMACEKPBSA-N 2 1 406.640 3.941 20 0 HHADMP COc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)[NH+]2CCCCC2)cc1 ZINC000517884299 1008028791 /nfs/dbraw/zinc/02/87/91/1008028791.db2.gz NVNBHBXJHNEJAY-REWPJTCUSA-N 2 1 416.610 3.642 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000536017421 1008057398 /nfs/dbraw/zinc/05/73/98/1008057398.db2.gz JOJCRVQVASRRDR-SDUSCBPUSA-N 2 1 422.617 3.854 20 0 HHADMP COc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1OCc1ccccc1 ZINC000539820843 1008114816 /nfs/dbraw/zinc/11/48/16/1008114816.db2.gz TZNHTWLVBMIBGW-ZJSXRUAMSA-N 2 1 423.601 3.732 20 0 HHADMP COc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1OCc1ccccc1 ZINC000539820843 1008114818 /nfs/dbraw/zinc/11/48/18/1008114818.db2.gz TZNHTWLVBMIBGW-ZJSXRUAMSA-N 2 1 423.601 3.732 20 0 HHADMP CCOc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1OCC(F)(F)F ZINC000539894244 1008169370 /nfs/dbraw/zinc/16/93/70/1008169370.db2.gz GCVLXIAGVBXJED-YQVWRLOYSA-N 2 1 416.484 3.710 20 0 HHADMP CCOc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1OCC(F)(F)F ZINC000539894244 1008169371 /nfs/dbraw/zinc/16/93/71/1008169371.db2.gz GCVLXIAGVBXJED-YQVWRLOYSA-N 2 1 416.484 3.710 20 0 HHADMP C[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)[C@H]1c1ccccc1 ZINC000533927957 1008210982 /nfs/dbraw/zinc/21/09/82/1008210982.db2.gz KOVFZFXPXSJRNB-DHIUTWEWSA-N 2 1 410.537 3.535 20 0 HHADMP C[N@H+](CCN1CC[NH+](CCOc2ccc(C(F)(F)F)cc2)CC1)Cc1ccccc1 ZINC000518245484 1008223603 /nfs/dbraw/zinc/22/36/03/1008223603.db2.gz TXOOCWVBHCOZAH-UHFFFAOYSA-N 2 1 421.507 3.834 20 0 HHADMP C[N@@H+](CCN1CC[NH+](CCOc2ccc(C(F)(F)F)cc2)CC1)Cc1ccccc1 ZINC000518245484 1008223608 /nfs/dbraw/zinc/22/36/08/1008223608.db2.gz TXOOCWVBHCOZAH-UHFFFAOYSA-N 2 1 421.507 3.834 20 0 HHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1)CC1CC1 ZINC000540014914 1008238412 /nfs/dbraw/zinc/23/84/12/1008238412.db2.gz AWVZYWDKKKDYOI-HXUWFJFHSA-N 2 1 406.640 3.894 20 0 HHADMP COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045058 1008254706 /nfs/dbraw/zinc/25/47/06/1008254706.db2.gz AVMQTXYASWZQKF-LJQANCHMSA-N 2 1 410.562 3.964 20 0 HHADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1)CC1CC1 ZINC000540047013 1008256536 /nfs/dbraw/zinc/25/65/36/1008256536.db2.gz LCDNXPWREHVEKT-XXBNENTESA-N 2 1 413.606 3.849 20 0 HHADMP CCC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1 ZINC000518316162 1008257464 /nfs/dbraw/zinc/25/74/64/1008257464.db2.gz BGHBRBDUBKSEEK-OAQYLSRUSA-N 2 1 407.002 3.868 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000518403935 1008290982 /nfs/dbraw/zinc/29/09/82/1008290982.db2.gz ZOLRYPWHXBENQY-FGCOXFRFSA-N 2 1 406.574 3.786 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000518403935 1008290987 /nfs/dbraw/zinc/29/09/87/1008290987.db2.gz ZOLRYPWHXBENQY-FGCOXFRFSA-N 2 1 406.574 3.786 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000518403935 1008290991 /nfs/dbraw/zinc/29/09/91/1008290991.db2.gz ZOLRYPWHXBENQY-FGCOXFRFSA-N 2 1 406.574 3.786 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1)CC(C)C ZINC000518525199 1008338162 /nfs/dbraw/zinc/33/81/62/1008338162.db2.gz LPLXVNBGTRVIOE-LJQANCHMSA-N 2 1 403.546 3.876 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1cccc(S(N)(=O)=O)c1 ZINC000540257960 1008357621 /nfs/dbraw/zinc/35/76/21/1008357621.db2.gz ADTWCBADCIHONH-ZWKOTPCHSA-N 2 1 401.576 3.559 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1cccc(S(N)(=O)=O)c1 ZINC000540257960 1008357623 /nfs/dbraw/zinc/35/76/23/1008357623.db2.gz ADTWCBADCIHONH-ZWKOTPCHSA-N 2 1 401.576 3.559 20 0 HHADMP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000518623353 1008369251 /nfs/dbraw/zinc/36/92/51/1008369251.db2.gz FPFQQNJDEXNDIA-CTNGQTDRSA-N 2 1 415.603 3.548 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000540321664 1008379672 /nfs/dbraw/zinc/37/96/72/1008379672.db2.gz TWKWLGHJKDPJGD-UWVAXJGDSA-N 2 1 417.500 3.718 20 0 HHADMP COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000540468000 1008443068 /nfs/dbraw/zinc/44/30/68/1008443068.db2.gz FIKADIVLZMVRBX-MRXNPFEDSA-N 2 1 406.486 3.565 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000549036133 1008604715 /nfs/dbraw/zinc/60/47/15/1008604715.db2.gz OYKITXJBJCEVSV-SIKLNZKXSA-N 2 1 401.595 3.503 20 0 HHADMP C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000543069145 1008646614 /nfs/dbraw/zinc/64/66/14/1008646614.db2.gz IUHVKSMPWXFBGB-OTWHNJEPSA-N 2 1 414.594 3.710 20 0 HHADMP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC)C1 ZINC000543074776 1008652240 /nfs/dbraw/zinc/65/22/40/1008652240.db2.gz XLWGUOLFZJBQFE-WMLDXEAASA-N 2 1 409.596 3.580 20 0 HHADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c2ccccc21 ZINC000549142745 1008711168 /nfs/dbraw/zinc/71/11/68/1008711168.db2.gz NZXSLGLNOQQYPL-JWQCQUIFSA-N 2 1 421.585 3.705 20 0 HHADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549208211 1008779992 /nfs/dbraw/zinc/77/99/92/1008779992.db2.gz VDUAKUNFWIINSY-UGKGYDQZSA-N 2 1 400.611 3.659 20 0 HHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000549209378 1008780739 /nfs/dbraw/zinc/78/07/39/1008780739.db2.gz MIEMJSTVYNLXSR-DHIUTWEWSA-N 2 1 412.622 3.947 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccc(F)cc1 ZINC000519442945 1008819819 /nfs/dbraw/zinc/81/98/19/1008819819.db2.gz MPNHQPPARUKJMA-DENIHFKCSA-N 2 1 401.501 3.596 20 0 HHADMP Cc1cccc([C@@H]2CC[N@@H+](CC(=O)Nc3cccc(C[NH+]4CCSCC4)c3)C2)c1 ZINC000543254271 1008822033 /nfs/dbraw/zinc/82/20/33/1008822033.db2.gz VZPKKLFGRLOYCE-JOCHJYFZSA-N 2 1 409.599 3.972 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(Cc2ccccn2)ccc1C ZINC000549391493 1008975674 /nfs/dbraw/zinc/97/56/74/1008975674.db2.gz KNZNGWWGTPEWDG-HSZRJFAPSA-N 2 1 423.605 3.861 20 0 HHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000543396060 1008988300 /nfs/dbraw/zinc/98/83/00/1008988300.db2.gz AYWFVQMZYUYEDZ-JOCHJYFZSA-N 2 1 404.518 3.752 20 0 HHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000543396060 1008988310 /nfs/dbraw/zinc/98/83/10/1008988310.db2.gz AYWFVQMZYUYEDZ-JOCHJYFZSA-N 2 1 404.518 3.752 20 0 HHADMP C[C@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543459995 1009044918 /nfs/dbraw/zinc/04/49/18/1009044918.db2.gz FOLAJSXTUSOHRO-WAOWUJCRSA-N 2 1 424.545 3.793 20 0 HHADMP C[C@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543459995 1009044938 /nfs/dbraw/zinc/04/49/38/1009044938.db2.gz FOLAJSXTUSOHRO-WAOWUJCRSA-N 2 1 424.545 3.793 20 0 HHADMP C[N@H+]1CCN(CCC[NH2+][C@@H](c2ccccc2)c2cncnc2)[C@@H](c2ccccc2)C1 ZINC000543603675 1009208360 /nfs/dbraw/zinc/20/83/60/1009208360.db2.gz JVICSMQGMSJGPA-RPBOFIJWSA-N 2 1 401.558 3.534 20 0 HHADMP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549593329 1009220449 /nfs/dbraw/zinc/22/04/49/1009220449.db2.gz YJTGAIDBIZRVJW-JOCHJYFZSA-N 2 1 412.578 3.654 20 0 HHADMP Cc1ccc([C@H](CCn2cncn2)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000546307940 1009324805 /nfs/dbraw/zinc/32/48/05/1009324805.db2.gz IRIUDANIVFWNIE-OFVILXPXSA-N 2 1 419.573 3.728 20 0 HHADMP Cc1ccc([C@H](CCn2cncn2)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000546307940 1009324811 /nfs/dbraw/zinc/32/48/11/1009324811.db2.gz IRIUDANIVFWNIE-OFVILXPXSA-N 2 1 419.573 3.728 20 0 HHADMP CCc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000520202437 1009339319 /nfs/dbraw/zinc/33/93/19/1009339319.db2.gz GGHLDUPYAPVNMW-RUZDIDTESA-N 2 1 418.585 3.707 20 0 HHADMP O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000520264671 1009381656 /nfs/dbraw/zinc/38/16/56/1009381656.db2.gz WVMABWWYZBLDSV-QHCPKHFHSA-N 2 1 412.622 3.505 20 0 HHADMP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000520374162 1009510518 /nfs/dbraw/zinc/51/05/18/1009510518.db2.gz PSHQZVWBWSNYKV-XMMPIXPASA-N 2 1 421.585 3.690 20 0 HHADMP CC[NH+](CC)CCCC1CCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000543948904 1009543459 /nfs/dbraw/zinc/54/34/59/1009543459.db2.gz MAVVNXOTVCTRJS-XMMPIXPASA-N 2 1 415.622 3.638 20 0 HHADMP CC[NH+](CC)CCCC1CCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000543948904 1009543467 /nfs/dbraw/zinc/54/34/67/1009543467.db2.gz MAVVNXOTVCTRJS-XMMPIXPASA-N 2 1 415.622 3.638 20 0 HHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2sccc2Br)c2cccs2)CC1 ZINC000546611531 1009628592 /nfs/dbraw/zinc/62/85/92/1009628592.db2.gz FGDFTAUKIGLQKR-CQSZACIVSA-N 2 1 400.411 3.650 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000544040036 1009641868 /nfs/dbraw/zinc/64/18/68/1009641868.db2.gz TXYXZIUXUQOLQY-OALUTQOASA-N 2 1 414.594 3.710 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000520578642 1009658739 /nfs/dbraw/zinc/65/87/39/1009658739.db2.gz VUOCDASTXJTOET-FYYLOGMGSA-N 2 1 400.611 3.879 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)C1 ZINC000520613115 1009688572 /nfs/dbraw/zinc/68/85/72/1009688572.db2.gz RNAFPBWXBQDZTO-RTWAWAEBSA-N 2 1 400.611 3.981 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1 ZINC000520613115 1009688579 /nfs/dbraw/zinc/68/85/79/1009688579.db2.gz RNAFPBWXBQDZTO-RTWAWAEBSA-N 2 1 400.611 3.981 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000520613115 1009688585 /nfs/dbraw/zinc/68/85/85/1009688585.db2.gz RNAFPBWXBQDZTO-RTWAWAEBSA-N 2 1 400.611 3.981 20 0 HHADMP C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1=O ZINC000550105657 1009705337 /nfs/dbraw/zinc/70/53/37/1009705337.db2.gz QNKREZHGSOICSJ-VRAWNYFSSA-N 2 1 421.560 3.942 20 0 HHADMP C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1=O ZINC000550105657 1009705346 /nfs/dbraw/zinc/70/53/46/1009705346.db2.gz QNKREZHGSOICSJ-VRAWNYFSSA-N 2 1 421.560 3.942 20 0 HHADMP C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1=O ZINC000550105657 1009705362 /nfs/dbraw/zinc/70/53/62/1009705362.db2.gz QNKREZHGSOICSJ-VRAWNYFSSA-N 2 1 421.560 3.942 20 0 HHADMP C[C@H](CNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[N@H+](C)C1CC1 ZINC000544113890 1009722764 /nfs/dbraw/zinc/72/27/64/1009722764.db2.gz FYGSYPJKFXWDLO-CQSZACIVSA-N 2 1 413.393 3.740 20 0 HHADMP C[C@H](CNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[N@@H+](C)C1CC1 ZINC000544113890 1009722771 /nfs/dbraw/zinc/72/27/71/1009722771.db2.gz FYGSYPJKFXWDLO-CQSZACIVSA-N 2 1 413.393 3.740 20 0 HHADMP C[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000544118653 1009726198 /nfs/dbraw/zinc/72/61/98/1009726198.db2.gz YGYQDLOHKFUUHK-OAHLLOKOSA-N 2 1 413.393 3.599 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000544118653 1009726211 /nfs/dbraw/zinc/72/62/11/1009726211.db2.gz YGYQDLOHKFUUHK-OAHLLOKOSA-N 2 1 413.393 3.599 20 0 HHADMP Cc1cccc([C@H]2CC[N@H+]([C@@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000544189721 1009792953 /nfs/dbraw/zinc/79/29/53/1009792953.db2.gz JKRJULNKWFJHAK-URXFXBBRSA-N 2 1 405.586 3.954 20 0 HHADMP CC[C@H](C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000550280389 1009827965 /nfs/dbraw/zinc/82/79/65/1009827965.db2.gz LLBPXIWFMJNNKX-ZFGGDYGUSA-N 2 1 415.622 3.635 20 0 HHADMP CC[C@H](C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[NH+](C)Cc1ccccc1 ZINC000550280389 1009827975 /nfs/dbraw/zinc/82/79/75/1009827975.db2.gz LLBPXIWFMJNNKX-ZFGGDYGUSA-N 2 1 415.622 3.635 20 0 HHADMP CC[C@H](C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[NH+](C)Cc1ccccc1 ZINC000550280389 1009827992 /nfs/dbraw/zinc/82/79/92/1009827992.db2.gz LLBPXIWFMJNNKX-ZFGGDYGUSA-N 2 1 415.622 3.635 20 0 HHADMP C[C@@H]1C[N@H+](CCCCNC(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)C[C@H](C)O1 ZINC000544223467 1009832783 /nfs/dbraw/zinc/83/27/83/1009832783.db2.gz GOPVVFFTZCEBDE-SZPZYZBQSA-N 2 1 423.601 3.938 20 0 HHADMP C[C@@H]1C[NH+](CCCCNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C[C@H](C)O1 ZINC000544223467 1009832794 /nfs/dbraw/zinc/83/27/94/1009832794.db2.gz GOPVVFFTZCEBDE-SZPZYZBQSA-N 2 1 423.601 3.938 20 0 HHADMP C[C@@H]1C[NH+](CCCCNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C[C@H](C)O1 ZINC000544223467 1009832807 /nfs/dbraw/zinc/83/28/07/1009832807.db2.gz GOPVVFFTZCEBDE-SZPZYZBQSA-N 2 1 423.601 3.938 20 0 HHADMP CCC[N@H+](CC)CC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000546874343 1009834763 /nfs/dbraw/zinc/83/47/63/1009834763.db2.gz PIUKURRFGFDTTM-UHFFFAOYSA-N 2 1 410.400 3.684 20 0 HHADMP CCC[N@@H+](CC)CC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000546874343 1009834776 /nfs/dbraw/zinc/83/47/76/1009834776.db2.gz PIUKURRFGFDTTM-UHFFFAOYSA-N 2 1 410.400 3.684 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1ccco1 ZINC000520878479 1009933503 /nfs/dbraw/zinc/93/35/03/1009933503.db2.gz CACZNAWQWVKPDL-NRFANRHFSA-N 2 1 404.599 3.960 20 0 HHADMP C[C@H](CCNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[NH+]1CCCCC1 ZINC000544331893 1009954996 /nfs/dbraw/zinc/95/49/96/1009954996.db2.gz FVTDPGHFGGSLEZ-HXUWFJFHSA-N 2 1 412.578 3.975 20 0 HHADMP C[C@H](CCNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[NH+]1CCCCC1 ZINC000544331893 1009955007 /nfs/dbraw/zinc/95/50/07/1009955007.db2.gz FVTDPGHFGGSLEZ-HXUWFJFHSA-N 2 1 412.578 3.975 20 0 HHADMP CN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000544368674 1009996709 /nfs/dbraw/zinc/99/67/09/1009996709.db2.gz QSHGMQXJBVAHST-FXAWDEMLSA-N 2 1 410.965 3.599 20 0 HHADMP CN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000544368677 1009996875 /nfs/dbraw/zinc/99/68/75/1009996875.db2.gz QSHGMQXJBVAHST-YLJYHZDGSA-N 2 1 410.965 3.599 20 0 HHADMP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@H](c2ccco2)c2ccccc2)cc1 ZINC000544382094 1010006248 /nfs/dbraw/zinc/00/62/48/1010006248.db2.gz PNERAVAZSIXEBI-DEOSSOPVSA-N 2 1 403.526 3.984 20 0 HHADMP Cn1c[nH+]c2cc(N[C@@H](C[NH+]3CCC(C(N)=O)CC3)c3ccc(Cl)cc3)ccc21 ZINC000544383967 1010007513 /nfs/dbraw/zinc/00/75/13/1010007513.db2.gz ULFWLEVHQOCVSW-FQEVSTJZSA-N 2 1 411.937 3.577 20 0 HHADMP COc1cc(OC)c(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000544419383 1010036374 /nfs/dbraw/zinc/03/63/74/1010036374.db2.gz DLUWJJZVXFYAPD-GJZGRUSLSA-N 2 1 409.958 3.538 20 0 HHADMP COc1cc(OC)c(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000544419383 1010036387 /nfs/dbraw/zinc/03/63/87/1010036387.db2.gz DLUWJJZVXFYAPD-GJZGRUSLSA-N 2 1 409.958 3.538 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)CC1 ZINC000521092143 1010109610 /nfs/dbraw/zinc/10/96/10/1010109610.db2.gz KCUVIAYQZNREDP-GJZGRUSLSA-N 2 1 405.329 3.882 20 0 HHADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)[C@H](n2cncn2)C1 ZINC000550882964 1010240071 /nfs/dbraw/zinc/24/00/71/1010240071.db2.gz UHAZVIASYNNCIX-AYVPJYCDSA-N 2 1 423.605 3.526 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000550940746 1010269333 /nfs/dbraw/zinc/26/93/33/1010269333.db2.gz XHDHVLRLMMLFMF-LSDHHAIUSA-N 2 1 415.335 3.844 20 0 HHADMP C[C@H]1C[NH+](CCOC2CC[NH+](CC3CCC(C(F)(F)F)CC3)CC2)C[C@H](C)O1 ZINC000547441746 1010306790 /nfs/dbraw/zinc/30/67/90/1010306790.db2.gz KVOAXANMJVXUPK-YXWAVELNSA-N 2 1 406.533 3.945 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547502905 1010330144 /nfs/dbraw/zinc/33/01/44/1010330144.db2.gz KUWQYYYJBIIIFB-BCWJEPCDSA-N 2 1 403.570 3.644 20 0 HHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547505546 1010332490 /nfs/dbraw/zinc/33/24/90/1010332490.db2.gz TYFCKQDKIUTYAK-SQJMNOBHSA-N 3 1 407.602 3.644 20 0 HHADMP COc1ccc(C[NH+]2CCC(CNC(=O)CC[N@@H+](C)C3CCCCC3)CC2)cc1 ZINC000547732193 1010406268 /nfs/dbraw/zinc/40/62/68/1010406268.db2.gz ZHECFXOPKXUEOJ-UHFFFAOYSA-N 2 1 401.595 3.678 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000547756005 1010415454 /nfs/dbraw/zinc/41/54/54/1010415454.db2.gz XDQXMMMMKCFJAQ-UHFFFAOYSA-N 2 1 413.512 3.955 20 0 HHADMP CCCOc1cc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ccc1OC ZINC000521514347 1010428810 /nfs/dbraw/zinc/42/88/10/1010428810.db2.gz UMBBBRSQZPHJGS-PMACEKPBSA-N 2 1 420.594 3.574 20 0 HHADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000547822282 1010439341 /nfs/dbraw/zinc/43/93/41/1010439341.db2.gz FDABLCNGKLOPRG-JOCHJYFZSA-N 2 1 422.598 3.897 20 0 HHADMP C[C@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547827902 1010441602 /nfs/dbraw/zinc/44/16/02/1010441602.db2.gz YQXUEGXPHCBEMB-GMAHTHKFSA-N 2 1 420.601 3.590 20 0 HHADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)cc1 ZINC000521535737 1010446509 /nfs/dbraw/zinc/44/65/09/1010446509.db2.gz OSALOQPLXMQBQM-LJQANCHMSA-N 2 1 404.352 3.607 20 0 HHADMP COc1c(Br)cccc1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000548150081 1010545721 /nfs/dbraw/zinc/54/57/21/1010545721.db2.gz IPLVVHPCWHXAOC-QGZVFWFLSA-N 2 1 424.408 3.598 20 0 HHADMP COc1cc(CN2CC[C@H]([NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)cc(OC)c1 ZINC000548154455 1010546869 /nfs/dbraw/zinc/54/68/69/1010546869.db2.gz FNBPUSWBAMQLKY-HUVFLSCGSA-N 2 1 423.601 3.778 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155510 1010547332 /nfs/dbraw/zinc/54/73/32/1010547332.db2.gz XHBFWGWEKMYYMM-MIZPHKNDSA-N 2 1 421.585 3.905 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000548175680 1010552769 /nfs/dbraw/zinc/55/27/69/1010552769.db2.gz GHETUDGFPLWLDC-XMMPIXPASA-N 2 1 406.574 3.633 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548487167 1010643670 /nfs/dbraw/zinc/64/36/70/1010643670.db2.gz BBYHXRGQHIOTBL-BBVWWWHTSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC[C@@H]1CO)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548487167 1010643679 /nfs/dbraw/zinc/64/36/79/1010643679.db2.gz BBYHXRGQHIOTBL-BBVWWWHTSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC[C@@H]1CO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548487167 1010643686 /nfs/dbraw/zinc/64/36/86/1010643686.db2.gz BBYHXRGQHIOTBL-BBVWWWHTSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548487167 1010643692 /nfs/dbraw/zinc/64/36/92/1010643692.db2.gz BBYHXRGQHIOTBL-BBVWWWHTSA-N 2 1 407.602 3.644 20 0 HHADMP C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548487167 1010643698 /nfs/dbraw/zinc/64/36/98/1010643698.db2.gz BBYHXRGQHIOTBL-BBVWWWHTSA-N 2 1 407.602 3.644 20 0 HHADMP C[C@H](NCc1ccccc1C[NH+]1CCC[C@@H]1CO)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548487167 1010643706 /nfs/dbraw/zinc/64/37/06/1010643706.db2.gz BBYHXRGQHIOTBL-BBVWWWHTSA-N 2 1 407.602 3.644 20 0 HHADMP C[C@H](NCc1ccccc1C[NH+]1CCC[C@@H]1CO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548487167 1010643711 /nfs/dbraw/zinc/64/37/11/1010643711.db2.gz BBYHXRGQHIOTBL-BBVWWWHTSA-N 2 1 407.602 3.644 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NCC(C)(C)[NH2+][C@H](C)c3ccccc3)CC2)cs1 ZINC000521851237 1010659991 /nfs/dbraw/zinc/65/99/91/1010659991.db2.gz PBKFGBIPDJETIA-QGZVFWFLSA-N 2 1 414.619 3.909 20 0 HHADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCC[NH+]2Cc2cccc(Cl)c2)C1 ZINC000521875433 1010679698 /nfs/dbraw/zinc/67/96/98/1010679698.db2.gz BOOCRRFIEKHXHC-CTNGQTDRSA-N 2 1 407.002 3.726 20 0 HHADMP CCC[NH+]1CC[C@H](CNC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC000521875433 1010679702 /nfs/dbraw/zinc/67/97/02/1010679702.db2.gz BOOCRRFIEKHXHC-CTNGQTDRSA-N 2 1 407.002 3.726 20 0 HHADMP CCC[NH+]1CC[C@H](CNC(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000521875433 1010679705 /nfs/dbraw/zinc/67/97/05/1010679705.db2.gz BOOCRRFIEKHXHC-CTNGQTDRSA-N 2 1 407.002 3.726 20 0 HHADMP C[C@H]([NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548773954 1010727622 /nfs/dbraw/zinc/72/76/22/1010727622.db2.gz CHJOINPLCKEZMH-FKIWKMFDSA-N 2 1 408.586 3.942 20 0 HHADMP CCCN(C(=O)NC[C@H]1CC[NH+](CCC)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000522433682 1011009168 /nfs/dbraw/zinc/00/91/68/1011009168.db2.gz CRHMHDWCOHYXGD-DHIUTWEWSA-N 2 1 400.611 3.805 20 0 HHADMP CCCN(C(=O)NC[C@H]1CC[N@H+](CCC)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000522433682 1011009171 /nfs/dbraw/zinc/00/91/71/1011009171.db2.gz CRHMHDWCOHYXGD-DHIUTWEWSA-N 2 1 400.611 3.805 20 0 HHADMP CCCN(C(=O)NC[C@H]1CC[N@@H+](CCC)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000522433682 1011009177 /nfs/dbraw/zinc/00/91/77/1011009177.db2.gz CRHMHDWCOHYXGD-DHIUTWEWSA-N 2 1 400.611 3.805 20 0 HHADMP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC000522444479 1011016148 /nfs/dbraw/zinc/01/61/48/1011016148.db2.gz UJLAYLCMBRRANQ-PZJWPPBQSA-N 2 1 407.002 3.678 20 0 HHADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC000522444479 1011016157 /nfs/dbraw/zinc/01/61/57/1011016157.db2.gz UJLAYLCMBRRANQ-PZJWPPBQSA-N 2 1 407.002 3.678 20 0 HHADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000522444479 1011016162 /nfs/dbraw/zinc/01/61/62/1011016162.db2.gz UJLAYLCMBRRANQ-PZJWPPBQSA-N 2 1 407.002 3.678 20 0 HHADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000522444479 1011016163 /nfs/dbraw/zinc/01/61/63/1011016163.db2.gz UJLAYLCMBRRANQ-PZJWPPBQSA-N 2 1 407.002 3.678 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000522560210 1011080475 /nfs/dbraw/zinc/08/04/75/1011080475.db2.gz HQJDXBDQLYTODN-GOSISDBHSA-N 2 1 412.603 3.631 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000522560210 1011080480 /nfs/dbraw/zinc/08/04/80/1011080480.db2.gz HQJDXBDQLYTODN-GOSISDBHSA-N 2 1 412.603 3.631 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000536155707 1011280575 /nfs/dbraw/zinc/28/05/75/1011280575.db2.gz OLEODYAIDUJFMG-CDIGIKMISA-N 2 1 406.574 3.784 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000536155707 1011280592 /nfs/dbraw/zinc/28/05/92/1011280592.db2.gz OLEODYAIDUJFMG-CDIGIKMISA-N 2 1 406.574 3.784 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000536155707 1011280603 /nfs/dbraw/zinc/28/06/03/1011280603.db2.gz OLEODYAIDUJFMG-CDIGIKMISA-N 2 1 406.574 3.784 20 0 HHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000540643448 1011294227 /nfs/dbraw/zinc/29/42/27/1011294227.db2.gz MNXNXSLXZJPPOZ-NRFANRHFSA-N 2 1 424.593 3.592 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540719210 1011371596 /nfs/dbraw/zinc/37/15/96/1011371596.db2.gz ZJQIAARKRRQGFQ-GQWLDOHISA-N 2 1 422.976 3.786 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540719210 1011371607 /nfs/dbraw/zinc/37/16/07/1011371607.db2.gz ZJQIAARKRRQGFQ-GQWLDOHISA-N 2 1 422.976 3.786 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540719210 1011371616 /nfs/dbraw/zinc/37/16/16/1011371616.db2.gz ZJQIAARKRRQGFQ-GQWLDOHISA-N 2 1 422.976 3.786 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540719210 1011371625 /nfs/dbraw/zinc/37/16/25/1011371625.db2.gz ZJQIAARKRRQGFQ-GQWLDOHISA-N 2 1 422.976 3.786 20 0 HHADMP CN(C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000536231963 1011380976 /nfs/dbraw/zinc/38/09/76/1011380976.db2.gz IWUBAAPWKCYTJR-ZEQRLZLVSA-N 2 1 406.574 3.738 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C)CC[C@H]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540862270 1011530833 /nfs/dbraw/zinc/53/08/33/1011530833.db2.gz NQQSTEDPSBFISV-XPGWFJOJSA-N 2 1 410.965 3.739 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C)CC[C@H]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540862270 1011530843 /nfs/dbraw/zinc/53/08/43/1011530843.db2.gz NQQSTEDPSBFISV-XPGWFJOJSA-N 2 1 410.965 3.739 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CC[N@H+](C)CC[C@H]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540862270 1011530858 /nfs/dbraw/zinc/53/08/58/1011530858.db2.gz NQQSTEDPSBFISV-XPGWFJOJSA-N 2 1 410.965 3.739 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CC[N@@H+](C)CC[C@H]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540862270 1011530867 /nfs/dbraw/zinc/53/08/67/1011530867.db2.gz NQQSTEDPSBFISV-XPGWFJOJSA-N 2 1 410.965 3.739 20 0 HHADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000536427292 1011646776 /nfs/dbraw/zinc/64/67/76/1011646776.db2.gz GRQRCVABOUGLQN-DEOSSOPVSA-N 2 1 406.574 3.811 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)Nc2ccccc2F)cc1 ZINC000541026759 1011661187 /nfs/dbraw/zinc/66/11/87/1011661187.db2.gz DMXLZUPIQLNWKE-HUUCEWRRSA-N 2 1 409.465 3.707 20 0 HHADMP COc1ccccc1CNC(=O)[C@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536488178 1011700216 /nfs/dbraw/zinc/70/02/16/1011700216.db2.gz LZBMXYQDTGQCDQ-NRFANRHFSA-N 2 1 421.585 3.688 20 0 HHADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536494038 1011702850 /nfs/dbraw/zinc/70/28/50/1011702850.db2.gz VNBNORYOLQTBJO-SQGPQFPESA-N 2 1 410.965 3.598 20 0 HHADMP CC(C)(C)CC[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000523300897 1011780240 /nfs/dbraw/zinc/78/02/40/1011780240.db2.gz WQTROVHLLRLLEK-IBGZPJMESA-N 2 1 406.640 3.724 20 0 HHADMP CC[N@H+](CCC1CCN(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)CC1)CC1CC1 ZINC000536625881 1011781648 /nfs/dbraw/zinc/78/16/48/1011781648.db2.gz YESWTBKIXWQHEB-UHFFFAOYSA-N 2 1 413.566 3.568 20 0 HHADMP CC[N@@H+](CCC1CCN(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)CC1)CC1CC1 ZINC000536625881 1011781657 /nfs/dbraw/zinc/78/16/57/1011781657.db2.gz YESWTBKIXWQHEB-UHFFFAOYSA-N 2 1 413.566 3.568 20 0 HHADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2csc(-c3ccc(C)o3)n2)CC1 ZINC000523437525 1011928177 /nfs/dbraw/zinc/92/81/77/1011928177.db2.gz SXKXIWANFVIZJB-UHFFFAOYSA-N 2 1 418.607 3.772 20 0 HHADMP C[C@@H](CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)C[NH+]1CCOCC1 ZINC000523443632 1011937003 /nfs/dbraw/zinc/93/70/03/1011937003.db2.gz ZXISADHREDWEML-IBGZPJMESA-N 2 1 402.583 3.541 20 0 HHADMP C[C@@H](CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)C[NH+]1CCOCC1 ZINC000523443632 1011937016 /nfs/dbraw/zinc/93/70/16/1011937016.db2.gz ZXISADHREDWEML-IBGZPJMESA-N 2 1 402.583 3.541 20 0 HHADMP C[C@H]1C[C@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000536762182 1011959090 /nfs/dbraw/zinc/95/90/90/1011959090.db2.gz KOOKPSLPNLZPCH-NZQKXSOJSA-N 2 1 421.589 3.650 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000536770383 1011973876 /nfs/dbraw/zinc/97/38/76/1011973876.db2.gz CZYIKMOBYJKCIO-IRLDBZIGSA-N 2 1 413.610 3.594 20 0 HHADMP COc1ccc2c(c1)CCC[N@@H+](CC(=O)NC1CC[NH+](Cc3ccccc3C)CC1)C2 ZINC000551909356 1012021828 /nfs/dbraw/zinc/02/18/28/1012021828.db2.gz MBLVBUHBIJNODI-UHFFFAOYSA-N 2 1 421.585 3.533 20 0 HHADMP COc1ccc2c(c1)CCC[N@H+](CC(=O)NC1CC[NH+](Cc3ccccc3C)CC1)C2 ZINC000551909356 1012021841 /nfs/dbraw/zinc/02/18/41/1012021841.db2.gz MBLVBUHBIJNODI-UHFFFAOYSA-N 2 1 421.585 3.533 20 0 HHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCOc3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000536848105 1012079319 /nfs/dbraw/zinc/07/93/19/1012079319.db2.gz XRPNKKBITSTCPW-UHFFFAOYSA-N 2 1 411.443 3.915 20 0 HHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCN2c3ccccc3OCC2=O)CC1 ZINC000552061795 1012079987 /nfs/dbraw/zinc/07/99/87/1012079987.db2.gz AESZYNPIKWPZIA-UHFFFAOYSA-N 2 1 407.558 3.835 20 0 HHADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2([NH+]3CCCCC3)CCOCC2)c(Cl)c1 ZINC000536850469 1012081209 /nfs/dbraw/zinc/08/12/09/1012081209.db2.gz FTCBSSLVORSCMW-SFHVURJKSA-N 2 1 407.986 3.990 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]Cc4cccc(N5CCOCC5)n4)[C@@H]3C2)cc1 ZINC000552067617 1012086154 /nfs/dbraw/zinc/08/61/54/1012086154.db2.gz RJMLLEZBXBUKLX-CAOCKLPOSA-N 2 1 420.601 3.699 20 0 HHADMP Brc1ccc2c(c1)CC[C@@H]([NH2+]CC1([NH+]3CCCCC3)CCOCC1)C2 ZINC000536856497 1012088122 /nfs/dbraw/zinc/08/81/22/1012088122.db2.gz GLVYKTBGRPBJLZ-HXUWFJFHSA-N 2 1 407.396 3.931 20 0 HHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000536857850 1012091260 /nfs/dbraw/zinc/09/12/60/1012091260.db2.gz NKMDMTKRDWAVDE-GOSISDBHSA-N 2 1 403.592 3.628 20 0 HHADMP CCc1ccccc1OCCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000552101116 1012119125 /nfs/dbraw/zinc/11/91/25/1012119125.db2.gz FKDCIVHEMHIZHG-UHFFFAOYSA-N 2 1 415.622 3.673 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000523616084 1012188595 /nfs/dbraw/zinc/18/85/95/1012188595.db2.gz OKQKYBIYHPQMEU-UNMCSNQZSA-N 2 1 415.626 3.588 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000523616084 1012188609 /nfs/dbraw/zinc/18/86/09/1012188609.db2.gz OKQKYBIYHPQMEU-UNMCSNQZSA-N 2 1 415.626 3.588 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000523616084 1012188622 /nfs/dbraw/zinc/18/86/22/1012188622.db2.gz OKQKYBIYHPQMEU-UNMCSNQZSA-N 2 1 415.626 3.588 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000552199273 1012211380 /nfs/dbraw/zinc/21/13/80/1012211380.db2.gz SPMJNPFMVCCZGQ-JOCHJYFZSA-N 2 1 409.549 3.704 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000552199273 1012211401 /nfs/dbraw/zinc/21/14/01/1012211401.db2.gz SPMJNPFMVCCZGQ-JOCHJYFZSA-N 2 1 409.549 3.704 20 0 HHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)[C@H]2CCC[C@H]21 ZINC000552255859 1012266850 /nfs/dbraw/zinc/26/68/50/1012266850.db2.gz XNJDYMKQOJNCCU-TZRRMPRUSA-N 2 1 423.580 3.510 20 0 HHADMP C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)o1 ZINC000552278082 1012291419 /nfs/dbraw/zinc/29/14/19/1012291419.db2.gz TURMUWLKRLXYCI-CVDCTZTESA-N 2 1 409.574 3.863 20 0 HHADMP C[C@H](CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1)[NH+]1CCCCC1 ZINC000541559247 1012346101 /nfs/dbraw/zinc/34/61/01/1012346101.db2.gz YTXCTNYFOAILAL-MOPGFXCFSA-N 2 1 419.591 3.673 20 0 HHADMP CC1(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000541575085 1012364962 /nfs/dbraw/zinc/36/49/62/1012364962.db2.gz XOEMWQNHZINGJW-UHFFFAOYSA-N 2 1 421.585 3.802 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(O[C@H](C)c2ccccc2)nc1 ZINC000523749450 1012373673 /nfs/dbraw/zinc/37/36/73/1012373673.db2.gz QEKUWCOMQUFSED-NFBKMPQASA-N 2 1 424.589 3.710 20 0 HHADMP C[C@@H]([NH2+]CC(=O)NCCc1cccc(Cl)c1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599853 1012393430 /nfs/dbraw/zinc/39/34/30/1012393430.db2.gz OADIQBFLHGYNIZ-NVXWUHKLSA-N 2 1 412.405 3.895 20 0 HHADMP C[C@@H]([NH2+]CC(=O)NCCc1cccc(Cl)c1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599853 1012393459 /nfs/dbraw/zinc/39/34/59/1012393459.db2.gz OADIQBFLHGYNIZ-NVXWUHKLSA-N 2 1 412.405 3.895 20 0 HHADMP CC(C)c1ccc(OCCNC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000541600287 1012395025 /nfs/dbraw/zinc/39/50/25/1012395025.db2.gz AZAUJVGXOSFHEH-TZIWHRDSSA-N 2 1 401.595 3.548 20 0 HHADMP CC(C)c1ccc(OCCNC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000541600287 1012395036 /nfs/dbraw/zinc/39/50/36/1012395036.db2.gz AZAUJVGXOSFHEH-TZIWHRDSSA-N 2 1 401.595 3.548 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)CCC2(F)F)[C@H]1c1ccccc1 ZINC000552403564 1012416291 /nfs/dbraw/zinc/41/62/91/1012416291.db2.gz JTYAVWIIIOIGLQ-BHIFYINESA-N 2 1 413.512 3.705 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)[C@H]1c1ccccc1 ZINC000552403564 1012416295 /nfs/dbraw/zinc/41/62/95/1012416295.db2.gz JTYAVWIIIOIGLQ-BHIFYINESA-N 2 1 413.512 3.705 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)[C@H]1c1ccccc1 ZINC000552403564 1012416303 /nfs/dbraw/zinc/41/63/03/1012416303.db2.gz JTYAVWIIIOIGLQ-BHIFYINESA-N 2 1 413.512 3.705 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000523832689 1012520170 /nfs/dbraw/zinc/52/01/70/1012520170.db2.gz IAJZQBDTLXXEIE-NFBKMPQASA-N 2 1 406.574 3.635 20 0 HHADMP CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000537161760 1012560534 /nfs/dbraw/zinc/56/05/34/1012560534.db2.gz XNJYOXFACRSIQQ-CQSZACIVSA-N 2 1 412.515 3.708 20 0 HHADMP CC[NH+]1CCCC[C@H]1C(=O)Nc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2CC)c(C)c1C ZINC000552607525 1012609394 /nfs/dbraw/zinc/60/93/94/1012609394.db2.gz BCDWDIRLXQCCNV-SZPZYZBQSA-N 2 1 414.594 3.929 20 0 HHADMP CC[NH+]1CCCC[C@@H]1C(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2CC)c(C)c1C ZINC000552607525 1012609401 /nfs/dbraw/zinc/60/94/01/1012609401.db2.gz BCDWDIRLXQCCNV-SZPZYZBQSA-N 2 1 414.594 3.929 20 0 HHADMP CC[NH+]1CCCC[C@@H]1C(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2CC)c(C)c1C ZINC000552607525 1012609415 /nfs/dbraw/zinc/60/94/15/1012609415.db2.gz BCDWDIRLXQCCNV-SZPZYZBQSA-N 2 1 414.594 3.929 20 0 HHADMP CC[NH+]1CCCC[C@H]1C(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2CC)c(C)c1C ZINC000552607526 1012609539 /nfs/dbraw/zinc/60/95/39/1012609539.db2.gz BCDWDIRLXQCCNV-VXKWHMMOSA-N 2 1 414.594 3.929 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)[NH+](C)C ZINC000523911657 1012630943 /nfs/dbraw/zinc/63/09/43/1012630943.db2.gz OCQWJVSFDPBZOH-XXBNENTESA-N 2 1 424.589 3.823 20 0 HHADMP CCC[C@@H]([NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1)c1ccccc1 ZINC000537287680 1012743746 /nfs/dbraw/zinc/74/37/46/1012743746.db2.gz INQSWRPSCDXHLH-XMMPIXPASA-N 2 1 409.574 3.861 20 0 HHADMP CCC[C@@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1)c1ccccc1 ZINC000537287680 1012743762 /nfs/dbraw/zinc/74/37/62/1012743762.db2.gz INQSWRPSCDXHLH-XMMPIXPASA-N 2 1 409.574 3.861 20 0 HHADMP CC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cc(F)cc(Br)c1 ZINC000537289337 1012746521 /nfs/dbraw/zinc/74/65/21/1012746521.db2.gz UIRXBGVZZXSCAI-GOSISDBHSA-N 2 1 414.363 3.572 20 0 HHADMP CN1CCN([C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c2cccs2)CC1 ZINC000541882373 1012752051 /nfs/dbraw/zinc/75/20/51/1012752051.db2.gz HTNBJIMANIEAPL-MOUTVQLLSA-N 2 1 424.658 3.537 20 0 HHADMP Cc1c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cnn1-c1ccc(F)cc1 ZINC000541918440 1012776711 /nfs/dbraw/zinc/77/67/11/1012776711.db2.gz BBIMBRDFAZRKFO-HXOBKFHXSA-N 2 1 408.521 3.737 20 0 HHADMP O=C1[C@@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000537364713 1012835711 /nfs/dbraw/zinc/83/57/11/1012835711.db2.gz VHIOFESQIXHCLR-SFHVURJKSA-N 2 1 406.452 3.799 20 0 HHADMP CC[NH+]1CCN(Cc2ccc(N[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cc2)CC1 ZINC000537397189 1012880337 /nfs/dbraw/zinc/88/03/37/1012880337.db2.gz RMMJHWSQNKLQDJ-SQJMNOBHSA-N 2 1 407.606 3.542 20 0 HHADMP CCN1CC[NH+](Cc2ccc(N[C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cc2)CC1 ZINC000537397189 1012880353 /nfs/dbraw/zinc/88/03/53/1012880353.db2.gz RMMJHWSQNKLQDJ-SQJMNOBHSA-N 2 1 407.606 3.542 20 0 HHADMP CCN1CC[NH+](Cc2ccc(N[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cc2)CC1 ZINC000537397189 1012880377 /nfs/dbraw/zinc/88/03/77/1012880377.db2.gz RMMJHWSQNKLQDJ-SQJMNOBHSA-N 2 1 407.606 3.542 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000524156080 1012947042 /nfs/dbraw/zinc/94/70/42/1012947042.db2.gz HSVDDMKWQTWTKZ-INIZCTEOSA-N 2 1 410.400 3.679 20 0 HHADMP COc1ccc2c(c1)C[C@@H]([NH+]1CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC1)C2 ZINC001168271717 1072043691 /nfs/dbraw/zinc/04/36/91/1072043691.db2.gz IFTJNDKNSWIXAP-LEWJYISDSA-N 2 1 412.599 3.979 20 0 HHADMP Cc1nc(-c2ccccc2)nc2c1COC[C@]21CC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168318886 1072497136 /nfs/dbraw/zinc/49/71/36/1072497136.db2.gz HQIHEBHEMXKGEU-UXIGSVSMSA-N 2 1 406.574 3.799 20 0 HHADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C[C@@H](C)O1 ZINC000479409558 1072831526 /nfs/dbraw/zinc/83/15/26/1072831526.db2.gz FTBWPSYGCXANHZ-PWRODBHTSA-N 2 1 422.658 3.560 20 0 HHADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)C[C@@H](C)O1 ZINC000479409558 1072831531 /nfs/dbraw/zinc/83/15/31/1072831531.db2.gz FTBWPSYGCXANHZ-PWRODBHTSA-N 2 1 422.658 3.560 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1)C(C)C ZINC000588656449 1073104923 /nfs/dbraw/zinc/10/49/23/1073104923.db2.gz NZEMIPKYWGNINM-OYRHEFFESA-N 2 1 415.622 3.878 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1)C(C)C ZINC000588656449 1073104927 /nfs/dbraw/zinc/10/49/27/1073104927.db2.gz NZEMIPKYWGNINM-OYRHEFFESA-N 2 1 415.622 3.878 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1)C(C)C ZINC000588656449 1073104936 /nfs/dbraw/zinc/10/49/36/1073104936.db2.gz NZEMIPKYWGNINM-OYRHEFFESA-N 2 1 415.622 3.878 20 0 HHADMP CC[C@@H](C(=O)N1CCC[C@@H]([NH+](C)Cc2ccccn2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000555088871 1073148928 /nfs/dbraw/zinc/14/89/28/1073148928.db2.gz AIEQIVWEQPMUDW-RPWUZVMVSA-N 2 1 408.590 3.805 20 0 HHADMP CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1)[NH+](C)Cc1ccccc1 ZINC000555088871 1073148929 /nfs/dbraw/zinc/14/89/29/1073148929.db2.gz AIEQIVWEQPMUDW-RPWUZVMVSA-N 2 1 408.590 3.805 20 0 HHADMP CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1)[NH+](C)Cc1ccccc1 ZINC000555088871 1073148934 /nfs/dbraw/zinc/14/89/34/1073148934.db2.gz AIEQIVWEQPMUDW-RPWUZVMVSA-N 2 1 408.590 3.805 20 0 HHADMP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(Cl)cc1 ZINC000588709377 1073154928 /nfs/dbraw/zinc/15/49/28/1073154928.db2.gz AKMRXPOHFKZUNG-FCGDIQPGSA-N 2 1 422.013 3.727 20 0 HHADMP CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588708670 1073155088 /nfs/dbraw/zinc/15/50/88/1073155088.db2.gz BSDCJFFMDUQVER-HSALFYBXSA-N 2 1 401.595 3.958 20 0 HHADMP CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588708670 1073155091 /nfs/dbraw/zinc/15/50/91/1073155091.db2.gz BSDCJFFMDUQVER-HSALFYBXSA-N 2 1 401.595 3.958 20 0 HHADMP C[C@H](NC(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc2ccccc2c1 ZINC000588711359 1073155979 /nfs/dbraw/zinc/15/59/79/1073155979.db2.gz ZOCARQRNPHLJRL-HBMCJLEFSA-N 2 1 423.601 3.838 20 0 HHADMP C[C@H](NC(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc2ccccc2c1 ZINC000588711359 1073155982 /nfs/dbraw/zinc/15/59/82/1073155982.db2.gz ZOCARQRNPHLJRL-HBMCJLEFSA-N 2 1 423.601 3.838 20 0 HHADMP CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc21 ZINC000555169108 1073213965 /nfs/dbraw/zinc/21/39/65/1073213965.db2.gz AXLBWGLNZURNHQ-ZEQRLZLVSA-N 2 1 408.542 3.790 20 0 HHADMP CC1(C)CC(NC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000555158405 1073220445 /nfs/dbraw/zinc/22/04/45/1073220445.db2.gz DTIHRUSFQVVYJU-HXUWFJFHSA-N 2 1 400.611 3.897 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1ccco1 ZINC000572192297 1073224776 /nfs/dbraw/zinc/22/47/76/1073224776.db2.gz ACIMWIVMXOOPSR-BZUAXINKSA-N 2 1 403.489 3.688 20 0 HHADMP CCc1nccn1C[C@H]1CCCN1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000572985248 1073877927 /nfs/dbraw/zinc/87/79/27/1073877927.db2.gz FPIPBGSMEPNQLK-XZOQPEGZSA-N 2 1 423.605 3.922 20 0 HHADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000572985248 1073877937 /nfs/dbraw/zinc/87/79/37/1073877937.db2.gz FPIPBGSMEPNQLK-XZOQPEGZSA-N 2 1 423.605 3.922 20 0 HHADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000572985248 1073877948 /nfs/dbraw/zinc/87/79/48/1073877948.db2.gz FPIPBGSMEPNQLK-XZOQPEGZSA-N 2 1 423.605 3.922 20 0 HHADMP COc1cc(NC(=O)CC[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(OC)cc1Cl ZINC000555900321 1073950664 /nfs/dbraw/zinc/95/06/64/1073950664.db2.gz OFHSNIHPUULAAH-IYBDPMFKSA-N 2 1 411.974 3.643 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)CC1 ZINC000590786370 1074003473 /nfs/dbraw/zinc/00/34/73/1074003473.db2.gz UJWJZRXHKKYLQW-GOSISDBHSA-N 2 1 410.002 3.618 20 0 HHADMP CCCC[NH+]1CCC(NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000591447031 1074302955 /nfs/dbraw/zinc/30/29/55/1074302955.db2.gz TZIYZGYSUNSSAP-HXUWFJFHSA-N 2 1 401.595 3.934 20 0 HHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000591701409 1074495765 /nfs/dbraw/zinc/49/57/65/1074495765.db2.gz SZIAKLMWPIWVDG-KRWDZBQOSA-N 2 1 411.575 3.578 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000591813536 1074591338 /nfs/dbraw/zinc/59/13/38/1074591338.db2.gz IYTMBACSEUMXRU-OFVILXPXSA-N 2 1 421.585 3.619 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000591813536 1074591349 /nfs/dbraw/zinc/59/13/49/1074591349.db2.gz IYTMBACSEUMXRU-OFVILXPXSA-N 2 1 421.585 3.619 20 0 HHADMP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000592475297 1074763376 /nfs/dbraw/zinc/76/33/76/1074763376.db2.gz QQWHVDCIWPSEIO-DYESRHJHSA-N 2 1 404.986 3.793 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N[C@H]3CC[NH+](C4CCCC4)C3)cc2)C1 ZINC000592487473 1074768505 /nfs/dbraw/zinc/76/85/05/1074768505.db2.gz RHZDGFRKNGRWID-MZKRTTBSSA-N 2 1 412.622 3.981 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)cc2)C1 ZINC000592487473 1074768509 /nfs/dbraw/zinc/76/85/09/1074768509.db2.gz RHZDGFRKNGRWID-MZKRTTBSSA-N 2 1 412.622 3.981 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)cc2)C1 ZINC000592487473 1074768522 /nfs/dbraw/zinc/76/85/22/1074768522.db2.gz RHZDGFRKNGRWID-MZKRTTBSSA-N 2 1 412.622 3.981 20 0 HHADMP C[NH+](C)CCCOc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000593500113 1075204772 /nfs/dbraw/zinc/20/47/72/1075204772.db2.gz MVZWIMRFCNLXQI-JOCHJYFZSA-N 2 1 410.562 3.803 20 0 HHADMP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000594967947 1075389125 /nfs/dbraw/zinc/38/91/25/1075389125.db2.gz SNXFPIAPXFQJDC-HSZRJFAPSA-N 2 1 406.574 3.699 20 0 HHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000595637220 1075495127 /nfs/dbraw/zinc/49/51/27/1075495127.db2.gz UPAJVEWQALGEMU-QHCPKHFHSA-N 2 1 400.611 3.647 20 0 HHADMP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000597886003 1075724397 /nfs/dbraw/zinc/72/43/97/1075724397.db2.gz KLOWQZJBJYLOFA-QHCPKHFHSA-N 2 1 421.589 3.515 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000597886003 1075724403 /nfs/dbraw/zinc/72/44/03/1075724403.db2.gz KLOWQZJBJYLOFA-QHCPKHFHSA-N 2 1 421.589 3.515 20 0 HHADMP C(c1nc2sc3c(c2c(N2CCC(C4C[NH2+]C4)CC2)n1)CCC3)[NH+]1CCCCC1 ZINC001164616636 719037401 /nfs/dbraw/zinc/03/74/01/719037401.db2.gz XYFANNZCXKQGTM-UHFFFAOYSA-N 2 1 411.619 3.602 20 0 HHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)n1 ZINC001164625890 719122184 /nfs/dbraw/zinc/12/21/84/719122184.db2.gz ZGGBMEVYVGNMOO-HZPDHXFCSA-N 2 1 405.587 3.663 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(C(Cl)(Cl)Oc2ccc(Cl)nc2)c2c1CC[NH2+]C2 ZINC001164680248 719652127 /nfs/dbraw/zinc/65/21/27/719652127.db2.gz DOMANBJLJJSKCE-UHFFFAOYSA-N 2 1 418.756 3.542 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(C(Cl)(Cl)Oc2ccc(Cl)nc2)c2c1CC[NH2+]C2 ZINC001164680248 719652135 /nfs/dbraw/zinc/65/21/35/719652135.db2.gz DOMANBJLJJSKCE-UHFFFAOYSA-N 2 1 418.756 3.542 20 0 HHADMP COc1cc2c(cc(Cl)nc2-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)cc1F ZINC001164680017 719654470 /nfs/dbraw/zinc/65/44/70/719654470.db2.gz CIPXIIOFBLAISH-UHFFFAOYSA-N 2 1 417.916 3.708 20 0 HHADMP COc1cc2c(cc(Cl)nc2-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)cc1F ZINC001164680017 719654474 /nfs/dbraw/zinc/65/44/74/719654474.db2.gz CIPXIIOFBLAISH-UHFFFAOYSA-N 2 1 417.916 3.708 20 0 HHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc1 ZINC001164740263 720594252 /nfs/dbraw/zinc/59/42/52/720594252.db2.gz ICLPNIHXDZYGLP-QHCPKHFHSA-N 2 1 422.621 3.874 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164837700 720725652 /nfs/dbraw/zinc/72/56/52/720725652.db2.gz GVXBTJLHYDGHST-XMMPIXPASA-N 2 1 420.601 3.937 20 0 HHADMP Cc1cc2ccccc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]1 ZINC001164747990 720837897 /nfs/dbraw/zinc/83/78/97/720837897.db2.gz SCSVBQMBAWUJJY-QZNHQXDQSA-N 2 1 402.546 3.514 20 0 HHADMP Cc1cc2ccccc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]1 ZINC001164747990 720837899 /nfs/dbraw/zinc/83/78/99/720837899.db2.gz SCSVBQMBAWUJJY-QZNHQXDQSA-N 2 1 402.546 3.514 20 0 HHADMP c1cc2c(cc[nH+]c2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH]1 ZINC001164754798 720872614 /nfs/dbraw/zinc/87/26/14/720872614.db2.gz SEMDOPNEHGHSJF-SQJMNOBHSA-N 2 1 417.557 3.713 20 0 HHADMP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ccc4c([nH+]2)CCC4)C3)c1 ZINC001164757495 720884062 /nfs/dbraw/zinc/88/40/62/720884062.db2.gz VFGDILWYSLFHHB-BVAGGSTKSA-N 2 1 418.585 3.720 20 0 HHADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccc4c([nH+]2)CCC4)C3)c1 ZINC001164757495 720884063 /nfs/dbraw/zinc/88/40/63/720884063.db2.gz VFGDILWYSLFHHB-BVAGGSTKSA-N 2 1 418.585 3.720 20 0 HHADMP Cc1c[nH+]c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(C)c1 ZINC001164756581 720889075 /nfs/dbraw/zinc/88/90/75/720889075.db2.gz QOPYWXKJYVTYJJ-UKILVPOCSA-N 2 1 406.574 3.849 20 0 HHADMP Cc1c[nH+]c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(C)c1 ZINC001164756581 720889076 /nfs/dbraw/zinc/88/90/76/720889076.db2.gz QOPYWXKJYVTYJJ-UKILVPOCSA-N 2 1 406.574 3.849 20 0 HHADMP COc1cc2c[nH+]c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)cc2cc1OC ZINC001164863064 721009203 /nfs/dbraw/zinc/00/92/03/721009203.db2.gz SPMNGDMMGKARMK-MRXNPFEDSA-N 2 1 409.534 3.870 20 0 HHADMP COc1cc2c[nH+]c(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)cc2cc1OC ZINC001164863064 721009210 /nfs/dbraw/zinc/00/92/10/721009210.db2.gz SPMNGDMMGKARMK-MRXNPFEDSA-N 2 1 409.534 3.870 20 0 HHADMP Cc1ccc(C[NH+]2CCC3(CCN(c4[nH+]ccc5c4NC(=O)CO5)CC3)CC2)cc1 ZINC001164759189 721044830 /nfs/dbraw/zinc/04/48/30/721044830.db2.gz KBIVFYNJXAEPBK-UHFFFAOYSA-N 2 1 406.530 3.604 20 0 HHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)nc1 ZINC001164768938 721235407 /nfs/dbraw/zinc/23/54/07/721235407.db2.gz YUWXLPHKBZPGLN-TZRRMPRUSA-N 2 1 422.621 3.710 20 0 HHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc1 ZINC001164768938 721235411 /nfs/dbraw/zinc/23/54/11/721235411.db2.gz YUWXLPHKBZPGLN-TZRRMPRUSA-N 2 1 422.621 3.710 20 0 HHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc1 ZINC001164768938 721235415 /nfs/dbraw/zinc/23/54/15/721235415.db2.gz YUWXLPHKBZPGLN-TZRRMPRUSA-N 2 1 422.621 3.710 20 0 HHADMP Cc1ccc(N(c2ccc(C[N@H+](C)C3CC3)cn2)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001164972258 722078699 /nfs/dbraw/zinc/07/86/99/722078699.db2.gz ZAARCCJIDYGDKC-UHFFFAOYSA-N 2 1 414.557 3.932 20 0 HHADMP COc1cc2[nH+]c(NC3CC[NH+]([C@@H](C)c4ccccc4)CC3)nc(N)c2cc1OC ZINC000301320665 970865768 /nfs/dbraw/zinc/86/57/68/970865768.db2.gz SEWNVPISCSYQCE-HNNXBMFYSA-N 2 1 407.518 3.867 20 0 HHADMP C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000303076414 971490819 /nfs/dbraw/zinc/49/08/19/971490819.db2.gz ZIAQNWWTWRKQEF-UHFFFAOYSA-N 2 1 412.603 3.831 20 0 HHADMP C[C@@H]1[C@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C[C@H]1c1ccccc1 ZINC000542169822 1013107352 /nfs/dbraw/zinc/10/73/52/1013107352.db2.gz UWUVPPWXDBFLSU-WUMKDDEVSA-N 2 1 407.558 3.629 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000303440195 971729373 /nfs/dbraw/zinc/72/93/73/971729373.db2.gz FOOSCUYVFPQFRT-VRBKOIECSA-N 2 1 412.622 3.993 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000303440195 971729379 /nfs/dbraw/zinc/72/93/79/971729379.db2.gz FOOSCUYVFPQFRT-VRBKOIECSA-N 2 1 412.622 3.993 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000303440195 971729387 /nfs/dbraw/zinc/72/93/87/971729387.db2.gz FOOSCUYVFPQFRT-VRBKOIECSA-N 2 1 412.622 3.993 20 0 HHADMP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303727308 971981026 /nfs/dbraw/zinc/98/10/26/971981026.db2.gz CNJCLAVZPUODGB-CMOSFIGNSA-N 2 1 415.622 3.632 20 0 HHADMP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303727308 971981031 /nfs/dbraw/zinc/98/10/31/971981031.db2.gz CNJCLAVZPUODGB-CMOSFIGNSA-N 2 1 415.622 3.632 20 0 HHADMP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303727308 971981037 /nfs/dbraw/zinc/98/10/37/971981037.db2.gz CNJCLAVZPUODGB-CMOSFIGNSA-N 2 1 415.622 3.632 20 0 HHADMP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303727308 971981042 /nfs/dbraw/zinc/98/10/42/971981042.db2.gz CNJCLAVZPUODGB-CMOSFIGNSA-N 2 1 415.622 3.632 20 0 HHADMP C[C@@H](C(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000303735843 971988669 /nfs/dbraw/zinc/98/86/69/971988669.db2.gz GMJPQYDUSLGUKG-CZSZKKDXSA-N 2 1 405.586 3.945 20 0 HHADMP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000303735843 971988672 /nfs/dbraw/zinc/98/86/72/971988672.db2.gz GMJPQYDUSLGUKG-CZSZKKDXSA-N 2 1 405.586 3.945 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000303777328 972022133 /nfs/dbraw/zinc/02/21/33/972022133.db2.gz CKKJCESCMOJDAP-IBGZPJMESA-N 2 1 412.553 3.693 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)[NH+](C)C)cc1 ZINC000303785782 972026306 /nfs/dbraw/zinc/02/63/06/972026306.db2.gz DMAYZHJXCJSKLP-URXFXBBRSA-N 2 1 408.590 3.904 20 0 HHADMP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000542185561 1013126981 /nfs/dbraw/zinc/12/69/81/1013126981.db2.gz MBEKXMXJHFPETN-NNMXDRDESA-N 2 1 423.557 3.691 20 0 HHADMP CC[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000537626888 1013176284 /nfs/dbraw/zinc/17/62/84/1013176284.db2.gz HTSZSSGGQABZSX-RUZDIDTESA-N 2 1 420.601 3.844 20 0 HHADMP C[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537628047 1013180051 /nfs/dbraw/zinc/18/00/51/1013180051.db2.gz BYJMWXAVGQGWMB-HXUWFJFHSA-N 2 1 418.541 3.802 20 0 HHADMP C[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537628047 1013180061 /nfs/dbraw/zinc/18/00/61/1013180061.db2.gz BYJMWXAVGQGWMB-HXUWFJFHSA-N 2 1 418.541 3.802 20 0 HHADMP C[NH+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537628047 1013180066 /nfs/dbraw/zinc/18/00/66/1013180066.db2.gz BYJMWXAVGQGWMB-HXUWFJFHSA-N 2 1 418.541 3.802 20 0 HHADMP C[NH+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537628047 1013180072 /nfs/dbraw/zinc/18/00/72/1013180072.db2.gz BYJMWXAVGQGWMB-HXUWFJFHSA-N 2 1 418.541 3.802 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC000537631303 1013185628 /nfs/dbraw/zinc/18/56/28/1013185628.db2.gz JYLXTZYWRXSBCD-OAQYLSRUSA-N 2 1 414.638 3.593 20 0 HHADMP COc1c(Br)cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1Br ZINC000537636386 1013191480 /nfs/dbraw/zinc/19/14/80/1013191480.db2.gz ISKWNPDZDVVKJL-UHFFFAOYSA-N 2 1 420.189 3.994 20 0 HHADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000303915727 972490264 /nfs/dbraw/zinc/49/02/64/972490264.db2.gz SNXVZGAMDUQBQX-XMMPIXPASA-N 2 1 407.558 3.555 20 0 HHADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000303915727 972490270 /nfs/dbraw/zinc/49/02/70/972490270.db2.gz SNXVZGAMDUQBQX-XMMPIXPASA-N 2 1 407.558 3.555 20 0 HHADMP COc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1OCc1ccccc1 ZINC000537695283 1013260365 /nfs/dbraw/zinc/26/03/65/1013260365.db2.gz JHWMSHLBGZNHEK-WPFOTENUSA-N 2 1 410.558 3.958 20 0 HHADMP COc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1OCc1ccccc1 ZINC000537695283 1013260369 /nfs/dbraw/zinc/26/03/69/1013260369.db2.gz JHWMSHLBGZNHEK-WPFOTENUSA-N 2 1 410.558 3.958 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000553445871 1013359459 /nfs/dbraw/zinc/35/94/59/1013359459.db2.gz FQHMGOJIVWTJSM-RDGATRHJSA-N 2 1 412.622 3.949 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553445871 1013359462 /nfs/dbraw/zinc/35/94/62/1013359462.db2.gz FQHMGOJIVWTJSM-RDGATRHJSA-N 2 1 412.622 3.949 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553445871 1013359474 /nfs/dbraw/zinc/35/94/74/1013359474.db2.gz FQHMGOJIVWTJSM-RDGATRHJSA-N 2 1 412.622 3.949 20 0 HHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC(Nc4cccc(C)c4)CC3)CC2)CC1 ZINC000553481445 1013388252 /nfs/dbraw/zinc/38/82/52/1013388252.db2.gz ITEQQHXFWRGMRY-UHFFFAOYSA-N 2 1 412.622 3.594 20 0 HHADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[N@H+](Cc3ccccc3)C3(CCCCC3)C1)CC2 ZINC000553493300 1013396689 /nfs/dbraw/zinc/39/66/89/1013396689.db2.gz ZNTLUEQSYCSMGY-QFIPXVFZSA-N 2 1 406.574 3.801 20 0 HHADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C1)CC2 ZINC000553493300 1013396702 /nfs/dbraw/zinc/39/67/02/1013396702.db2.gz ZNTLUEQSYCSMGY-QFIPXVFZSA-N 2 1 406.574 3.801 20 0 HHADMP COc1cc(C[NH2+]C2CC[NH+](C)CC2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000017313881 963185558 /nfs/dbraw/zinc/18/55/58/963185558.db2.gz CZZSKDZCODGJGF-UHFFFAOYSA-N 2 1 417.937 3.550 20 0 HHADMP C[C@H](C(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000553508010 1013408375 /nfs/dbraw/zinc/40/83/75/1013408375.db2.gz USJWGZDRYOVUNP-QFQXNSOFSA-N 2 1 403.570 3.558 20 0 HHADMP C[C@H](C(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)[N@H+]1CCc2ccccc2C1 ZINC000553508010 1013408380 /nfs/dbraw/zinc/40/83/80/1013408380.db2.gz USJWGZDRYOVUNP-QFQXNSOFSA-N 2 1 403.570 3.558 20 0 HHADMP C[C@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)[NH+]1CCc2ccccc2C1 ZINC000553508010 1013408383 /nfs/dbraw/zinc/40/83/83/1013408383.db2.gz USJWGZDRYOVUNP-QFQXNSOFSA-N 2 1 403.570 3.558 20 0 HHADMP C[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[NH+]1CCc2ccccc2C1 ZINC000553508010 1013408387 /nfs/dbraw/zinc/40/83/87/1013408387.db2.gz USJWGZDRYOVUNP-QFQXNSOFSA-N 2 1 403.570 3.558 20 0 HHADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)CC1)CC1CC1 ZINC000537849832 1013417842 /nfs/dbraw/zinc/41/78/42/1013417842.db2.gz UUQUIEGMHHTSBZ-UHFFFAOYSA-N 2 1 402.970 3.682 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]Cc2ccc3ccccc3c2)c1 ZINC000048778088 964057607 /nfs/dbraw/zinc/05/76/07/964057607.db2.gz DUHRBJXFQLYHFO-UHFFFAOYSA-N 2 1 403.526 3.790 20 0 HHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc(C)ccc1OC ZINC000537887617 1013469018 /nfs/dbraw/zinc/46/90/18/1013469018.db2.gz MVVOQMILBUXSMV-JTHBVZDNSA-N 2 1 409.574 3.942 20 0 HHADMP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)[C@@H](c2ccccc2)C1 ZINC000050137120 964275682 /nfs/dbraw/zinc/27/56/82/964275682.db2.gz TZSUPYLNAXBTAV-SIKLNZKXSA-N 2 1 412.603 3.658 20 0 HHADMP C[N@H+]1CCN(C(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)[C@@H](c2ccccc2)C1 ZINC000050137120 964275696 /nfs/dbraw/zinc/27/56/96/964275696.db2.gz TZSUPYLNAXBTAV-SIKLNZKXSA-N 2 1 412.603 3.658 20 0 HHADMP C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H](c2ccccc2)C1 ZINC000050137120 964275705 /nfs/dbraw/zinc/27/57/05/964275705.db2.gz TZSUPYLNAXBTAV-SIKLNZKXSA-N 2 1 412.603 3.658 20 0 HHADMP C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[C@@H](c2ccccc2)C1 ZINC000050137120 964275715 /nfs/dbraw/zinc/27/57/15/964275715.db2.gz TZSUPYLNAXBTAV-SIKLNZKXSA-N 2 1 412.603 3.658 20 0 HHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](C)[C@@H](C)c3ccccc3)CC2)cc1 ZINC000542543080 1013488285 /nfs/dbraw/zinc/48/82/85/1013488285.db2.gz COHKOBFDASSFSM-NHCUHLMSSA-N 2 1 409.574 3.511 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](C)[C@@H](C)c3ccccc3)CC2)cc1 ZINC000542543080 1013488292 /nfs/dbraw/zinc/48/82/92/1013488292.db2.gz COHKOBFDASSFSM-NHCUHLMSSA-N 2 1 409.574 3.511 20 0 HHADMP Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051189723 964488438 /nfs/dbraw/zinc/48/84/38/964488438.db2.gz WXRFSFOFHHTEIQ-UHFFFAOYSA-N 2 1 419.976 3.621 20 0 HHADMP CCOc1ccc(-c2nc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cs2)cc1 ZINC000051958254 964751160 /nfs/dbraw/zinc/75/11/60/964751160.db2.gz CBIWZLYOEMNELF-UHFFFAOYSA-N 2 1 401.576 3.753 20 0 HHADMP CC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)Cc1ccc(OC)cc1 ZINC000052039937 964790709 /nfs/dbraw/zinc/79/07/09/964790709.db2.gz PFBPHNUTKUHGSW-UHFFFAOYSA-N 2 1 409.574 3.606 20 0 HHADMP CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)Cc1ccc(OC)cc1 ZINC000052039937 964790720 /nfs/dbraw/zinc/79/07/20/964790720.db2.gz PFBPHNUTKUHGSW-UHFFFAOYSA-N 2 1 409.574 3.606 20 0 HHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000537955492 1013535190 /nfs/dbraw/zinc/53/51/90/1013535190.db2.gz YMJQVDGWSJUWLS-CEXWTWQISA-N 2 1 409.368 3.630 20 0 HHADMP CN1C(=O)C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000537960528 1013539427 /nfs/dbraw/zinc/53/94/27/1013539427.db2.gz YZGRNBHRKODKDV-UPVQGACJSA-N 2 1 411.977 3.909 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC000057128229 965301893 /nfs/dbraw/zinc/30/18/93/965301893.db2.gz KXJUPMAPZVDWHB-UHFFFAOYSA-N 2 1 418.545 3.561 20 0 HHADMP CC[N@H+](CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1)Cc1ccccc1 ZINC000029695434 965461372 /nfs/dbraw/zinc/46/13/72/965461372.db2.gz JOLFWIUHBFDZEY-XMMPIXPASA-N 2 1 409.574 3.861 20 0 HHADMP CC[N@@H+](CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1)Cc1ccccc1 ZINC000029695434 965461376 /nfs/dbraw/zinc/46/13/76/965461376.db2.gz JOLFWIUHBFDZEY-XMMPIXPASA-N 2 1 409.574 3.861 20 0 HHADMP C[N@H+]1CCC[C@@H](NC(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000057819220 965555356 /nfs/dbraw/zinc/55/53/56/965555356.db2.gz VOWCSXZFBSMYMW-HSZRJFAPSA-N 2 1 406.574 3.843 20 0 HHADMP CC(=O)c1c(C)cc(C)c(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1C ZINC000538044299 1013616691 /nfs/dbraw/zinc/61/66/91/1013616691.db2.gz FEWMOSOUMJJCOY-PMACEKPBSA-N 2 1 416.606 3.905 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(OC)c1 ZINC000059951601 966044999 /nfs/dbraw/zinc/04/49/99/966044999.db2.gz JQHJMCZUVWFZAI-RPWUZVMVSA-N 2 1 409.574 3.859 20 0 HHADMP CC(C)[C@H](CNC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[NH+]1CCC(C)CC1 ZINC000031900551 966149386 /nfs/dbraw/zinc/14/93/86/966149386.db2.gz MDLZWDPOWHQNDE-IMSXRSKXSA-N 2 1 415.622 3.782 20 0 HHADMP CC(C)[C@H](CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[NH+]1CCC(C)CC1 ZINC000031900551 966149393 /nfs/dbraw/zinc/14/93/93/966149393.db2.gz MDLZWDPOWHQNDE-IMSXRSKXSA-N 2 1 415.622 3.782 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC(CC[NH+](C)C)CC3)cc2)C1 ZINC000056846235 966490730 /nfs/dbraw/zinc/49/07/30/966490730.db2.gz TWWRXQKFRSYRNC-HXUWFJFHSA-N 2 1 400.611 3.792 20 0 HHADMP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000061530701 966491550 /nfs/dbraw/zinc/49/15/50/966491550.db2.gz GLRJZVOLSXEBMQ-QZTJIDSGSA-N 2 1 407.002 3.867 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000061550873 966498325 /nfs/dbraw/zinc/49/83/25/966498325.db2.gz CTCNXURMEAMONF-OYRHEFFESA-N 2 1 400.611 3.840 20 0 HHADMP CC(C)(CNC(=O)NCc1ccccc1C[NH+]1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000061553378 966499112 /nfs/dbraw/zinc/49/91/12/966499112.db2.gz UPORCTCAOQPIDS-UHFFFAOYSA-N 2 1 420.601 3.919 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)c1 ZINC000061795011 966558499 /nfs/dbraw/zinc/55/84/99/966558499.db2.gz XQOHQTRBWVPVQX-DEOSSOPVSA-N 2 1 424.589 3.783 20 0 HHADMP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000061795865 966559277 /nfs/dbraw/zinc/55/92/77/966559277.db2.gz MXOQQNMYKVPYGU-NRFANRHFSA-N 2 1 402.970 3.894 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000061795865 966559282 /nfs/dbraw/zinc/55/92/82/966559282.db2.gz MXOQQNMYKVPYGU-NRFANRHFSA-N 2 1 402.970 3.894 20 0 HHADMP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000063464674 966868182 /nfs/dbraw/zinc/86/81/82/966868182.db2.gz JOPUVAFOZBNANH-VWLOTQADSA-N 2 1 420.601 3.734 20 0 HHADMP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000063464674 966868188 /nfs/dbraw/zinc/86/81/88/966868188.db2.gz JOPUVAFOZBNANH-VWLOTQADSA-N 2 1 420.601 3.734 20 0 HHADMP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000043231720 966933225 /nfs/dbraw/zinc/93/32/25/966933225.db2.gz NSXOATKVDRCFLA-OAQYLSRUSA-N 2 1 412.603 3.803 20 0 HHADMP C[C@H]1C[NH+](Cc2ccc(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)cc2)C[C@H](C)O1 ZINC000043805048 967038257 /nfs/dbraw/zinc/03/82/57/967038257.db2.gz QPEGKGVFQAKHRU-SFTDATJTSA-N 2 1 421.585 3.822 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000064224219 967090711 /nfs/dbraw/zinc/09/07/11/967090711.db2.gz CGNAVXIRUDKBNB-UHFFFAOYSA-N 2 1 412.553 3.741 20 0 HHADMP C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000064336903 967145813 /nfs/dbraw/zinc/14/58/13/967145813.db2.gz HJVNHBCGQJBQFQ-LVCYWYKZSA-N 2 1 411.512 3.678 20 0 HHADMP C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000064336903 967145819 /nfs/dbraw/zinc/14/58/19/967145819.db2.gz HJVNHBCGQJBQFQ-LVCYWYKZSA-N 2 1 411.512 3.678 20 0 HHADMP C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000064336903 967145826 /nfs/dbraw/zinc/14/58/26/967145826.db2.gz HJVNHBCGQJBQFQ-LVCYWYKZSA-N 2 1 411.512 3.678 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCOc4cc(F)ccc43)c2)C1 ZINC000542844327 1013704299 /nfs/dbraw/zinc/70/42/99/1013704299.db2.gz RIBXIMPOQWCISN-DENIHFKCSA-N 2 1 411.521 3.527 20 0 HHADMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)c2nc3sc(C)c(C)c3c(N)n2)CC1 ZINC000538148494 1013708331 /nfs/dbraw/zinc/70/83/31/1013708331.db2.gz ZXMRBWNRWGXKQM-OAHLLOKOSA-N 2 1 405.612 3.774 20 0 HHADMP O=C(C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000064641252 967255699 /nfs/dbraw/zinc/25/56/99/967255699.db2.gz FKHPFFPLAIMFGA-VWLOTQADSA-N 2 1 421.585 3.580 20 0 HHADMP O=C(C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000064641252 967255708 /nfs/dbraw/zinc/25/57/08/967255708.db2.gz FKHPFFPLAIMFGA-VWLOTQADSA-N 2 1 421.585 3.580 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCC[NH+](C)Cc1ccco1 ZINC000553944218 1013714981 /nfs/dbraw/zinc/71/49/81/1013714981.db2.gz BSAFTAIEFDSPOU-NFBKMPQASA-N 2 1 412.578 3.654 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000553944218 1013714985 /nfs/dbraw/zinc/71/49/85/1013714985.db2.gz BSAFTAIEFDSPOU-NFBKMPQASA-N 2 1 412.578 3.654 20 0 HHADMP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000045192286 967376370 /nfs/dbraw/zinc/37/63/70/967376370.db2.gz RIBOESCWPYKGTD-UHFFFAOYSA-N 2 1 406.574 3.700 20 0 HHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1C ZINC000065274809 967423501 /nfs/dbraw/zinc/42/35/01/967423501.db2.gz YHUKDLZXVLKOOQ-DEOSSOPVSA-N 2 1 404.558 3.702 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCCCOc2cccc(C)c2)cc1 ZINC000542879165 1013728043 /nfs/dbraw/zinc/72/80/43/1013728043.db2.gz ODECAIBUPAKICT-IBGZPJMESA-N 2 1 406.530 3.725 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000065518339 967503643 /nfs/dbraw/zinc/50/36/43/967503643.db2.gz FJWUGMDRYLHNGB-GGAORHGYSA-N 2 1 400.611 3.710 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000065518339 967503649 /nfs/dbraw/zinc/50/36/49/967503649.db2.gz FJWUGMDRYLHNGB-GGAORHGYSA-N 2 1 400.611 3.710 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000065518339 967503655 /nfs/dbraw/zinc/50/36/55/967503655.db2.gz FJWUGMDRYLHNGB-GGAORHGYSA-N 2 1 400.611 3.710 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000553981816 1013735398 /nfs/dbraw/zinc/73/53/98/1013735398.db2.gz QDEMONKPYVYHSC-RYFAJOAYSA-N 2 1 409.599 3.884 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000553981816 1013735404 /nfs/dbraw/zinc/73/54/04/1013735404.db2.gz QDEMONKPYVYHSC-RYFAJOAYSA-N 2 1 409.599 3.884 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc(F)cc3c2OCOC3)CC1 ZINC000538211928 1013765439 /nfs/dbraw/zinc/76/54/39/1013765439.db2.gz MWVHWJSNKMRHPQ-MRXNPFEDSA-N 2 1 417.500 3.824 20 0 HHADMP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000542941624 1013774543 /nfs/dbraw/zinc/77/45/43/1013774543.db2.gz BSRLEOXZNYQLNZ-UHFFFAOYSA-N 2 1 403.567 3.620 20 0 HHADMP COc1ccc(CNC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1OC ZINC000538263621 1013805726 /nfs/dbraw/zinc/80/57/26/1013805726.db2.gz ZXKAFKFTEJECIY-SJORKVTESA-N 2 1 422.529 3.553 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)CC1 ZINC000538277929 1013816142 /nfs/dbraw/zinc/81/61/42/1013816142.db2.gz VGPFIITTXIMWBH-FCHUYYIVSA-N 2 1 420.601 3.843 20 0 HHADMP C[NH+]1CCC2(CC1)C[C@H]([NH2+][C@H]1CCN(c3ccccc3F)C1=O)c1ccccc1O2 ZINC000538297463 1013832933 /nfs/dbraw/zinc/83/29/33/1013832933.db2.gz SLJJEMVWCDVJTD-PMACEKPBSA-N 2 1 409.505 3.509 20 0 HHADMP Cc1cccc(C[NH+]2CCN(C(=O)NCCCC[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)c1 ZINC000071935854 968896825 /nfs/dbraw/zinc/89/68/25/968896825.db2.gz LQLJWEDAPZSUFD-VXKWHMMOSA-N 2 1 400.611 3.580 20 0 HHADMP COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)CC2)cc1 ZINC000072046761 968957647 /nfs/dbraw/zinc/95/76/47/968957647.db2.gz SRTGHICHVMGTLM-RUZDIDTESA-N 2 1 421.585 3.688 20 0 HHADMP COc1ccc(CN(C)CC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1 ZINC000105187801 969225037 /nfs/dbraw/zinc/22/50/37/969225037.db2.gz BSGYGKYQRAIOQR-QFIPXVFZSA-N 2 1 415.965 3.734 20 0 HHADMP COc1c(Br)cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000106868452 969308395 /nfs/dbraw/zinc/30/83/95/969308395.db2.gz GBMCKFUSKZUQKF-CHWSQXEVSA-N 2 1 418.173 3.937 20 0 HHADMP COc1c(Br)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000106868452 969308402 /nfs/dbraw/zinc/30/84/02/969308402.db2.gz GBMCKFUSKZUQKF-CHWSQXEVSA-N 2 1 418.173 3.937 20 0 HHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3C[C@@H](C)C[C@@H]3c3cccnc3)CC2)cc1 ZINC000554262627 1013882272 /nfs/dbraw/zinc/88/22/72/1013882272.db2.gz BRGOKJYYXJYBAH-XUZZJYLKSA-N 2 1 406.574 3.507 20 0 HHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3C[C@@H](C)C[C@@H]3c3cccnc3)CC2)cc1 ZINC000554262627 1013882279 /nfs/dbraw/zinc/88/22/79/1013882279.db2.gz BRGOKJYYXJYBAH-XUZZJYLKSA-N 2 1 406.574 3.507 20 0 HHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@@H](C)C[C@@H]3c3cccnc3)CC2)cc1 ZINC000554262627 1013882286 /nfs/dbraw/zinc/88/22/86/1013882286.db2.gz BRGOKJYYXJYBAH-XUZZJYLKSA-N 2 1 406.574 3.507 20 0 HHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3C[C@@H](C)C[C@@H]3c3cccnc3)CC2)cc1 ZINC000554262627 1013882295 /nfs/dbraw/zinc/88/22/95/1013882295.db2.gz BRGOKJYYXJYBAH-XUZZJYLKSA-N 2 1 406.574 3.507 20 0 HHADMP CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000109897742 969589088 /nfs/dbraw/zinc/58/90/88/969589088.db2.gz ASRKABAWYUXGIU-DEOSSOPVSA-N 2 1 420.601 3.611 20 0 HHADMP CC[N@H+](Cc1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1)C(C)C ZINC000110119043 969626026 /nfs/dbraw/zinc/62/60/26/969626026.db2.gz JXADSULDFXIJES-UHFFFAOYSA-N 2 1 401.595 3.682 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1)C(C)C ZINC000110119043 969626028 /nfs/dbraw/zinc/62/60/28/969626028.db2.gz JXADSULDFXIJES-UHFFFAOYSA-N 2 1 401.595 3.682 20 0 HHADMP CC1CC[NH+](CCCNC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000110174588 969632736 /nfs/dbraw/zinc/63/27/36/969632736.db2.gz BJPTYQQRZHHCBN-NRFANRHFSA-N 2 1 411.512 3.679 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)cc1)C(C)C ZINC000110227661 969640279 /nfs/dbraw/zinc/64/02/79/969640279.db2.gz MLEUKUPTSPZIRO-UHFFFAOYSA-N 2 1 422.617 3.594 20 0 HHADMP CC[N@H+](Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1)C(C)C ZINC000110227661 969640283 /nfs/dbraw/zinc/64/02/83/969640283.db2.gz MLEUKUPTSPZIRO-UHFFFAOYSA-N 2 1 422.617 3.594 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1)C(C)C ZINC000110227661 969640286 /nfs/dbraw/zinc/64/02/86/969640286.db2.gz MLEUKUPTSPZIRO-UHFFFAOYSA-N 2 1 422.617 3.594 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3F)CC2)C[C@H](C)O1 ZINC000110434126 969667469 /nfs/dbraw/zinc/66/74/69/969667469.db2.gz XJVJQAHNNWYYKM-IYBDPMFKSA-N 2 1 411.949 3.629 20 0 HHADMP CCc1ccc([C@@H](CNC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)[NH+](C)C)cc1 ZINC000110439994 969668448 /nfs/dbraw/zinc/66/84/48/969668448.db2.gz ZJGJGKRCHPDFBN-JOCHJYFZSA-N 2 1 414.619 3.645 20 0 HHADMP CCOc1ccc(CN(C)C(=O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000110915627 969740670 /nfs/dbraw/zinc/74/06/70/969740670.db2.gz AROYQIJDUKVKCZ-UHFFFAOYSA-N 2 1 423.601 3.888 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)CC2)cs1 ZINC000111214334 969805639 /nfs/dbraw/zinc/80/56/39/969805639.db2.gz ZJYBEJCDZXSKCR-UHFFFAOYSA-N 2 1 418.651 3.969 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)c1 ZINC000195746325 969997902 /nfs/dbraw/zinc/99/79/02/969997902.db2.gz ZNLJOEOLPYGGNE-DEOSSOPVSA-N 2 1 424.589 3.783 20 0 HHADMP CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000227886065 970122884 /nfs/dbraw/zinc/12/28/84/970122884.db2.gz DZCPSWVQTZMQMQ-PMACEKPBSA-N 2 1 409.574 3.678 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000227886065 970122890 /nfs/dbraw/zinc/12/28/90/970122890.db2.gz DZCPSWVQTZMQMQ-PMACEKPBSA-N 2 1 409.574 3.678 20 0 HHADMP CC(C)COC(=O)N1CCC([NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000236594259 970144418 /nfs/dbraw/zinc/14/44/18/970144418.db2.gz YASMJONYLUJHHL-BGYRXZFFSA-N 2 1 417.594 3.642 20 0 HHADMP CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000236630411 970148956 /nfs/dbraw/zinc/14/89/56/970148956.db2.gz XUDFFQJRQNPRFJ-LJQANCHMSA-N 2 1 404.986 3.976 20 0 HHADMP CC[NH+]1CCN(CCCC[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2C)CC1 ZINC000236940231 970191081 /nfs/dbraw/zinc/19/10/81/970191081.db2.gz AXKSBLSYWXSVAX-UHFFFAOYSA-N 2 1 418.029 3.709 20 0 HHADMP CC[NH+]1CCN(CCCC[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000236940405 970191097 /nfs/dbraw/zinc/19/10/97/970191097.db2.gz GHUVXXNFOYPCBB-UHFFFAOYSA-N 2 1 404.002 3.650 20 0 HHADMP CCN(CC)c1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000236968279 970197115 /nfs/dbraw/zinc/19/71/15/970197115.db2.gz GOWOTSZXGUXPEP-HSZRJFAPSA-N 2 1 408.590 3.520 20 0 HHADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000237163352 970233705 /nfs/dbraw/zinc/23/37/05/970233705.db2.gz CAHBBAMUNCVMJD-UHFFFAOYSA-N 2 1 416.997 3.677 20 0 HHADMP Cn1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)c(-c2cccnc2)n1 ZINC000237179662 970236640 /nfs/dbraw/zinc/23/66/40/970236640.db2.gz QSUKHAINKWRELK-UHFFFAOYSA-N 2 1 401.514 3.997 20 0 HHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC000237352501 970268244 /nfs/dbraw/zinc/26/82/44/970268244.db2.gz ADVSSPHKCWEDAG-OAQYLSRUSA-N 2 1 405.586 3.999 20 0 HHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C[C@H](C)O1 ZINC000237608266 970320731 /nfs/dbraw/zinc/32/07/31/970320731.db2.gz NYZFPTUFOOFGNT-UEXGIBASSA-N 2 1 410.986 3.877 20 0 HHADMP O=C(Nc1cccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1)c1ccccc1Cl ZINC000237977718 970409145 /nfs/dbraw/zinc/40/91/45/970409145.db2.gz SSFDLEBUMNSVEH-HXUWFJFHSA-N 2 1 415.965 3.919 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000255957043 970608845 /nfs/dbraw/zinc/60/88/45/970608845.db2.gz LPZZQPMYULKADW-XMSQKQJNSA-N 2 1 424.614 3.631 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000255957043 970608854 /nfs/dbraw/zinc/60/88/54/970608854.db2.gz LPZZQPMYULKADW-XMSQKQJNSA-N 2 1 424.614 3.631 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000255957043 970608884 /nfs/dbraw/zinc/60/88/84/970608884.db2.gz LPZZQPMYULKADW-XMSQKQJNSA-N 2 1 424.614 3.631 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000255957043 970608896 /nfs/dbraw/zinc/60/88/96/970608896.db2.gz LPZZQPMYULKADW-XMSQKQJNSA-N 2 1 424.614 3.631 20 0 HHADMP COC[C@@]1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000309673073 972618027 /nfs/dbraw/zinc/61/80/27/972618027.db2.gz LAYMEKFRFQNKML-DEOSSOPVSA-N 2 1 417.594 3.657 20 0 HHADMP C[C@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381303939 972780805 /nfs/dbraw/zinc/78/08/05/972780805.db2.gz BHEAXQRKRQPIAP-LDQXTDLNSA-N 2 1 403.364 3.983 20 0 HHADMP C[C@@H]([NH2+]CC(=O)Nc1cccc(Br)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388678310 972806488 /nfs/dbraw/zinc/80/64/88/972806488.db2.gz RHWVKFNVHNXXEX-SJLPKXTDSA-N 2 1 416.363 3.888 20 0 HHADMP C[C@@H]([NH2+]CC(=O)Nc1cccc(Br)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388678310 972806500 /nfs/dbraw/zinc/80/65/00/972806500.db2.gz RHWVKFNVHNXXEX-SJLPKXTDSA-N 2 1 416.363 3.888 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000410321494 973869161 /nfs/dbraw/zinc/86/91/61/973869161.db2.gz BPXVUQLGBZGAHO-UHFFFAOYSA-N 2 1 420.601 3.707 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000410330615 973904008 /nfs/dbraw/zinc/90/40/08/973904008.db2.gz YKNPQODFUMEYPB-UHFFFAOYSA-N 2 1 420.601 3.877 20 0 HHADMP Cc1cc(C)c(NC(=O)CCC[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c(C)c1 ZINC000425991862 974104986 /nfs/dbraw/zinc/10/49/86/974104986.db2.gz YOLSTOLFUNCDIQ-AREMUKBSSA-N 2 1 423.601 3.899 20 0 HHADMP Cc1cc(C)c(NC(=O)CCC[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c(C)c1 ZINC000425991862 974104990 /nfs/dbraw/zinc/10/49/90/974104990.db2.gz YOLSTOLFUNCDIQ-AREMUKBSSA-N 2 1 423.601 3.899 20 0 HHADMP Cc1cc(C)c(NC(=O)CCC[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000425991862 974104996 /nfs/dbraw/zinc/10/49/96/974104996.db2.gz YOLSTOLFUNCDIQ-AREMUKBSSA-N 2 1 423.601 3.899 20 0 HHADMP Cc1cc(C)c(NC(=O)CCC[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000425991862 974105000 /nfs/dbraw/zinc/10/50/00/974105000.db2.gz YOLSTOLFUNCDIQ-AREMUKBSSA-N 2 1 423.601 3.899 20 0 HHADMP CC[N@@H+](CCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)CCC(F)(F)F ZINC000426002404 974117474 /nfs/dbraw/zinc/11/74/74/974117474.db2.gz FQVXJQVJOQHZNQ-SFHVURJKSA-N 2 1 406.537 3.558 20 0 HHADMP CC[N@@H+](CCNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)CCC(F)(F)F ZINC000426004047 974118940 /nfs/dbraw/zinc/11/89/40/974118940.db2.gz UHQNDQPLYKLDHJ-UHFFFAOYSA-N 2 1 414.516 3.567 20 0 HHADMP Cn1c2ccccc2cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1=O ZINC000426302177 974382409 /nfs/dbraw/zinc/38/24/09/974382409.db2.gz HFXKQTOSFNQQCB-QPTUXGOLSA-N 2 1 401.554 3.929 20 0 HHADMP CCc1cccc(C)c1NC(=O)C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000426776970 974652699 /nfs/dbraw/zinc/65/26/99/974652699.db2.gz JJUHKJROLYYGDA-PMACEKPBSA-N 2 1 401.595 3.707 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCC(=O)Nc3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000426814344 974680144 /nfs/dbraw/zinc/68/01/44/974680144.db2.gz FKQCHYMVNPCEJH-HDICACEKSA-N 2 1 407.986 3.880 20 0 HHADMP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426820672 974686053 /nfs/dbraw/zinc/68/60/53/974686053.db2.gz MKROIMGIWPRQAY-OTWHNJEPSA-N 2 1 422.013 3.556 20 0 HHADMP CC(C)c1ccccc1NC(=O)C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000426824924 974689989 /nfs/dbraw/zinc/68/99/89/974689989.db2.gz JXSXBEGMHUAGJU-PMACEKPBSA-N 2 1 401.595 3.960 20 0 HHADMP CC(C)c1ccccc1NC(=O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426824926 974690179 /nfs/dbraw/zinc/69/01/79/974690179.db2.gz JXSXBEGMHUAGJU-WOJBJXKFSA-N 2 1 401.595 3.960 20 0 HHADMP C[C@@H](NC(=O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1Cl ZINC000426837774 974701845 /nfs/dbraw/zinc/70/18/45/974701845.db2.gz YVSRUJFGUWPWDA-CEXWTWQISA-N 2 1 422.013 3.729 20 0 HHADMP Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000427940580 975359620 /nfs/dbraw/zinc/35/96/20/975359620.db2.gz DNJGSNLNLKIZAT-JOCHJYFZSA-N 2 1 409.578 3.697 20 0 HHADMP CC(C)O[C@H](C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000428298961 975608793 /nfs/dbraw/zinc/60/87/93/975608793.db2.gz VWRCXRIPWNIAQV-AWRGLXIESA-N 2 1 404.595 3.743 20 0 HHADMP OC[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Cc1cccc(Br)c1 ZINC000428544390 975850195 /nfs/dbraw/zinc/85/01/95/975850195.db2.gz JKIJMZUNTSBYCP-HXUWFJFHSA-N 2 1 417.391 3.854 20 0 HHADMP O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000429049924 976335869 /nfs/dbraw/zinc/33/58/69/976335869.db2.gz RDDMCSZSGDYZQT-XMMPIXPASA-N 2 1 423.626 3.632 20 0 HHADMP O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000429049924 976335880 /nfs/dbraw/zinc/33/58/80/976335880.db2.gz RDDMCSZSGDYZQT-XMMPIXPASA-N 2 1 423.626 3.632 20 0 HHADMP C[C@H](CCNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000429085162 976370680 /nfs/dbraw/zinc/37/06/80/976370680.db2.gz YPKXCZDNYXVALO-NHCUHLMSSA-N 2 1 423.605 3.817 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000429236709 976527220 /nfs/dbraw/zinc/52/72/20/976527220.db2.gz UTNTXEFMUPICRV-AWEZNQCLSA-N 2 1 403.527 3.934 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000429236709 976527234 /nfs/dbraw/zinc/52/72/34/976527234.db2.gz UTNTXEFMUPICRV-AWEZNQCLSA-N 2 1 403.527 3.934 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(Br)c1 ZINC000429244829 976534054 /nfs/dbraw/zinc/53/40/54/976534054.db2.gz IAELMPCOPHIBNC-OAHLLOKOSA-N 2 1 407.356 3.947 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(Br)c1 ZINC000429244829 976534065 /nfs/dbraw/zinc/53/40/65/976534065.db2.gz IAELMPCOPHIBNC-OAHLLOKOSA-N 2 1 407.356 3.947 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC000429344625 976608625 /nfs/dbraw/zinc/60/86/25/976608625.db2.gz KKKUAPLIQBHFRR-RUZDIDTESA-N 2 1 423.601 3.939 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429344625 976608632 /nfs/dbraw/zinc/60/86/32/976608632.db2.gz KKKUAPLIQBHFRR-RUZDIDTESA-N 2 1 423.601 3.939 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429344625 976608642 /nfs/dbraw/zinc/60/86/42/976608642.db2.gz KKKUAPLIQBHFRR-RUZDIDTESA-N 2 1 423.601 3.939 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000429424966 976702715 /nfs/dbraw/zinc/70/27/15/976702715.db2.gz DSLIXUMNAQOVPO-UZLBHIALSA-N 2 1 406.979 3.744 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000429424966 976702722 /nfs/dbraw/zinc/70/27/22/976702722.db2.gz DSLIXUMNAQOVPO-UZLBHIALSA-N 2 1 406.979 3.744 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000429424965 976702935 /nfs/dbraw/zinc/70/29/35/976702935.db2.gz DSLIXUMNAQOVPO-OXQOHEQNSA-N 2 1 406.979 3.744 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000429424965 976702947 /nfs/dbraw/zinc/70/29/47/976702947.db2.gz DSLIXUMNAQOVPO-OXQOHEQNSA-N 2 1 406.979 3.744 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC[C@@H]4C[NH+](Cc5ccccc5)CCCO4)[C@H]3C2)cc1 ZINC000429432424 976712364 /nfs/dbraw/zinc/71/23/64/976712364.db2.gz XCIBUANHKBOJOD-YYGZZXRFSA-N 2 1 419.613 3.778 20 0 HHADMP c1ccc(C[NH+]2C[C@@H]3CC[C@@H](NC[C@@H]4C[N@H+](Cc5ccccc5)CCCO4)[C@H]3C2)cc1 ZINC000429432424 976712368 /nfs/dbraw/zinc/71/23/68/976712368.db2.gz XCIBUANHKBOJOD-YYGZZXRFSA-N 2 1 419.613 3.778 20 0 HHADMP c1ccc(C[NH+]2C[C@@H]3CC[C@@H](NC[C@@H]4C[N@@H+](Cc5ccccc5)CCCO4)[C@H]3C2)cc1 ZINC000429432424 976712377 /nfs/dbraw/zinc/71/23/77/976712377.db2.gz XCIBUANHKBOJOD-YYGZZXRFSA-N 2 1 419.613 3.778 20 0 HHADMP c1ccc(CN2CCCO[C@H](C[NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)C2)cc1 ZINC000429432424 976712387 /nfs/dbraw/zinc/71/23/87/976712387.db2.gz XCIBUANHKBOJOD-YYGZZXRFSA-N 2 1 419.613 3.778 20 0 HHADMP c1ccc(CN2CCCO[C@H](C[NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)C2)cc1 ZINC000429432424 976712391 /nfs/dbraw/zinc/71/23/91/976712391.db2.gz XCIBUANHKBOJOD-YYGZZXRFSA-N 2 1 419.613 3.778 20 0 HHADMP c1ccc(C[N@H+]2C[C@@H]3[C@H](NC[C@@H]4C[NH+](Cc5ccccc5)CCCO4)CC[C@@H]3C2)cc1 ZINC000429432423 976712498 /nfs/dbraw/zinc/71/24/98/976712498.db2.gz XCIBUANHKBOJOD-JVYGEBFASA-N 2 1 419.613 3.778 20 0 HHADMP c1ccc(C[NH+]2C[C@@H]3[C@H](NC[C@@H]4C[N@H+](Cc5ccccc5)CCCO4)CC[C@@H]3C2)cc1 ZINC000429432423 976712502 /nfs/dbraw/zinc/71/25/02/976712502.db2.gz XCIBUANHKBOJOD-JVYGEBFASA-N 2 1 419.613 3.778 20 0 HHADMP c1ccc(C[NH+]2C[C@@H]3[C@H](NC[C@@H]4C[N@@H+](Cc5ccccc5)CCCO4)CC[C@@H]3C2)cc1 ZINC000429432423 976712509 /nfs/dbraw/zinc/71/25/09/976712509.db2.gz XCIBUANHKBOJOD-JVYGEBFASA-N 2 1 419.613 3.778 20 0 HHADMP c1ccc(CN2CCCO[C@H](C[NH2+][C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)C2)cc1 ZINC000429432423 976712515 /nfs/dbraw/zinc/71/25/15/976712515.db2.gz XCIBUANHKBOJOD-JVYGEBFASA-N 2 1 419.613 3.778 20 0 HHADMP c1ccc(CN2CCCO[C@H](C[NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)C2)cc1 ZINC000429432423 976712520 /nfs/dbraw/zinc/71/25/20/976712520.db2.gz XCIBUANHKBOJOD-JVYGEBFASA-N 2 1 419.613 3.778 20 0 HHADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000429490291 976747920 /nfs/dbraw/zinc/74/79/20/976747920.db2.gz LOTFBKHMAZGSLN-OFNKIYASSA-N 2 1 412.622 3.587 20 0 HHADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000429500791 976756217 /nfs/dbraw/zinc/75/62/17/976756217.db2.gz GOQDTHNKSADEDN-SFTDATJTSA-N 2 1 409.578 3.772 20 0 HHADMP Cc1cc(OCC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1Cl ZINC000430669062 977680099 /nfs/dbraw/zinc/68/00/99/977680099.db2.gz JQEQEEWQICNNAL-UHFFFAOYSA-N 2 1 422.013 3.682 20 0 HHADMP CC(C)COc1ccc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000430671449 977682735 /nfs/dbraw/zinc/68/27/35/977682735.db2.gz QDWPOEKKGJURKK-UHFFFAOYSA-N 2 1 415.622 3.990 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000430673783 977684976 /nfs/dbraw/zinc/68/49/76/977684976.db2.gz GHDDDBVTSIRVHR-AHWVRZQESA-N 2 1 409.618 3.545 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000430673784 977685035 /nfs/dbraw/zinc/68/50/35/977685035.db2.gz GHDDDBVTSIRVHR-AOYPEHQESA-N 2 1 409.618 3.545 20 0 HHADMP CC(C)c1cccc(OCC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430680535 977690767 /nfs/dbraw/zinc/69/07/67/977690767.db2.gz OVNIYAHCFALUQZ-UHFFFAOYSA-N 2 1 415.622 3.844 20 0 HHADMP CC(C)Oc1ccccc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430681257 977691766 /nfs/dbraw/zinc/69/17/66/977691766.db2.gz BHYYBJPFMOCIFC-UHFFFAOYSA-N 2 1 401.595 3.742 20 0 HHADMP CN(C(=O)[C@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000430872512 977837641 /nfs/dbraw/zinc/83/76/41/977837641.db2.gz JPKSDRFVKUJDPG-QFIPXVFZSA-N 2 1 420.601 3.702 20 0 HHADMP CCOc1ccc(C(C)=O)cc1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430919397 977887243 /nfs/dbraw/zinc/88/72/43/977887243.db2.gz QIEPQHPEMRUJPT-UHFFFAOYSA-N 2 1 415.622 3.916 20 0 HHADMP CCOc1ccc(C(C)=O)cc1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430919397 977887250 /nfs/dbraw/zinc/88/72/50/977887250.db2.gz QIEPQHPEMRUJPT-UHFFFAOYSA-N 2 1 415.622 3.916 20 0 HHADMP CC(=O)c1ccc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000431079560 978007692 /nfs/dbraw/zinc/00/76/92/978007692.db2.gz JKIAISAANWQPEL-UHFFFAOYSA-N 2 1 400.567 3.549 20 0 HHADMP CC(C)CC[NH+]1CCC(CNC(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000431175250 978074869 /nfs/dbraw/zinc/07/48/69/978074869.db2.gz LXMRYFOSNRGUKZ-FQEVSTJZSA-N 2 1 416.610 3.959 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1cc(F)c(F)cc1F ZINC000431212053 978095319 /nfs/dbraw/zinc/09/53/19/978095319.db2.gz JWLKKWQNQKXCGS-UHFFFAOYSA-N 2 1 412.500 3.764 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000431285375 978171723 /nfs/dbraw/zinc/17/17/23/978171723.db2.gz YVPRJPKAVUDZDI-HSZRJFAPSA-N 2 1 412.622 3.662 20 0 HHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000431569461 978363782 /nfs/dbraw/zinc/36/37/82/978363782.db2.gz HYARLCZBLRPYAA-PZJWPPBQSA-N 2 1 406.640 3.680 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000431677696 978430599 /nfs/dbraw/zinc/43/05/99/978430599.db2.gz FGCGIHFWFKHZTK-IRLDBZIGSA-N 2 1 424.589 3.939 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000431688902 978436748 /nfs/dbraw/zinc/43/67/48/978436748.db2.gz FRATYHAYORYRJH-FGCOXFRFSA-N 2 1 406.574 3.613 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000431688902 978436752 /nfs/dbraw/zinc/43/67/52/978436752.db2.gz FRATYHAYORYRJH-FGCOXFRFSA-N 2 1 406.574 3.613 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000431688902 978436754 /nfs/dbraw/zinc/43/67/54/978436754.db2.gz FRATYHAYORYRJH-FGCOXFRFSA-N 2 1 406.574 3.613 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)N2CCC[NH+](Cc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000431704396 978447629 /nfs/dbraw/zinc/44/76/29/978447629.db2.gz XARQFAFRHQMCQO-DHLKQENFSA-N 2 1 420.601 3.957 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC[NH+]1Cc1ccccc1 ZINC000431704396 978447630 /nfs/dbraw/zinc/44/76/30/978447630.db2.gz XARQFAFRHQMCQO-DHLKQENFSA-N 2 1 420.601 3.957 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC[NH+]1Cc1ccccc1 ZINC000431704396 978447632 /nfs/dbraw/zinc/44/76/32/978447632.db2.gz XARQFAFRHQMCQO-DHLKQENFSA-N 2 1 420.601 3.957 20 0 HHADMP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000431786610 978512842 /nfs/dbraw/zinc/51/28/42/978512842.db2.gz SZVNIOMHAMQKNE-FDDCHVKYSA-N 2 1 416.585 3.552 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCc1c(F)cccc1Cl ZINC000431796478 978519608 /nfs/dbraw/zinc/51/96/08/978519608.db2.gz LBQHKBPQMIWWSU-UHFFFAOYSA-N 2 1 424.992 3.817 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ncnc2cc(Cl)ccc21 ZINC000431833452 978543750 /nfs/dbraw/zinc/54/37/50/978543750.db2.gz JXJGROHVQQHRSB-UHFFFAOYSA-N 2 1 401.986 3.916 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCc1ccc(Cl)cc1 ZINC000431873785 978567600 /nfs/dbraw/zinc/56/76/00/978567600.db2.gz AVKZZBUAKWDHLI-UHFFFAOYSA-N 2 1 407.002 3.678 20 0 HHADMP Cc1cccn2cc(COc3ccc(C[NH2+]CCC[N@H+]4CCCO[C@@H](C)C4)cc3)nc12 ZINC000432345801 978769600 /nfs/dbraw/zinc/76/96/00/978769600.db2.gz GVXMOCLIOBWHET-NRFANRHFSA-N 2 1 422.573 3.812 20 0 HHADMP COc1cc(C[NH+]2CCC3(C2)CCOCC3)cc(C[N@H+]2CCC3(C2)CCOCC3)c1 ZINC000432811917 978982177 /nfs/dbraw/zinc/98/21/77/978982177.db2.gz GJFFTEGNTIAVOV-UHFFFAOYSA-N 2 1 414.590 3.700 20 0 HHADMP COC(=O)c1cc([C@H](C)[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)oc1C ZINC000432821233 978985018 /nfs/dbraw/zinc/98/50/18/978985018.db2.gz WLHDZRQPIPRPCU-KRWDZBQOSA-N 2 1 405.583 3.564 20 0 HHADMP CC(C)[NH+](Cc1cc(Br)ccc1C[N@H+](C[C@H](C)O)C(C)C)C[C@@H](C)O ZINC000432963143 979026313 /nfs/dbraw/zinc/02/63/13/979026313.db2.gz ZKBUREPQJRYOAR-DLBZAZTESA-N 2 1 415.416 3.632 20 0 HHADMP CC(C)[NH+](Cc1ccc(Br)cc1C[N@H+](C[C@@H](C)O)C(C)C)C[C@H](C)O ZINC000432963143 979026319 /nfs/dbraw/zinc/02/63/19/979026319.db2.gz ZKBUREPQJRYOAR-DLBZAZTESA-N 2 1 415.416 3.632 20 0 HHADMP CC(C)[NH+](Cc1ccc(Br)cc1C[N@@H+](C[C@@H](C)O)C(C)C)C[C@H](C)O ZINC000432963143 979026323 /nfs/dbraw/zinc/02/63/23/979026323.db2.gz ZKBUREPQJRYOAR-DLBZAZTESA-N 2 1 415.416 3.632 20 0 HHADMP COc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433051629 979052731 /nfs/dbraw/zinc/05/27/31/979052731.db2.gz IBAIOLVQCGBSTE-OAQYLSRUSA-N 2 1 421.585 3.688 20 0 HHADMP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433112155 979078168 /nfs/dbraw/zinc/07/81/68/979078168.db2.gz HJQRALXXTWLINL-LJQANCHMSA-N 2 1 421.541 3.730 20 0 HHADMP COc1ccc(C)cc1NC(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433126417 979087653 /nfs/dbraw/zinc/08/76/53/979087653.db2.gz OMHBCFCZZUQFGE-UHFFFAOYSA-N 2 1 407.558 3.930 20 0 HHADMP COc1ccc(C)cc1NC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433126417 979087662 /nfs/dbraw/zinc/08/76/62/979087662.db2.gz OMHBCFCZZUQFGE-UHFFFAOYSA-N 2 1 407.558 3.930 20 0 HHADMP Nc1ccc(F)c(NC(=O)CC[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433127752 979088404 /nfs/dbraw/zinc/08/84/04/979088404.db2.gz UEPYXPZKRVTLTB-UHFFFAOYSA-N 2 1 410.537 3.725 20 0 HHADMP C[C@@H](c1nnnn1-c1ccccc1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433171482 979115441 /nfs/dbraw/zinc/11/54/41/979115441.db2.gz AEMRIFIXDLRKCQ-FQEVSTJZSA-N 2 1 402.546 3.711 20 0 HHADMP C[C@@H](c1nnnn1-c1ccccc1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433171482 979115445 /nfs/dbraw/zinc/11/54/45/979115445.db2.gz AEMRIFIXDLRKCQ-FQEVSTJZSA-N 2 1 402.546 3.711 20 0 HHADMP C[C@@H](NC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccc(F)cc1 ZINC000433193794 979132742 /nfs/dbraw/zinc/13/27/42/979132742.db2.gz SHWNRDNOPHLMCN-HXUWFJFHSA-N 2 1 409.549 3.991 20 0 HHADMP COc1cc(C[NH+]2CCCCC[C@@H]2CCO)cc(C[N@H+]2CCCCC[C@@H]2CCO)c1 ZINC000433205266 979139923 /nfs/dbraw/zinc/13/99/23/979139923.db2.gz KGFNLOCLHFBZKW-DNQXCXABSA-N 2 1 418.622 3.949 20 0 HHADMP COc1cc(C[NH+]2CCCCC[C@H]2CCO)cc(C[N@H+]2CCCCC[C@H]2CCO)c1 ZINC000433205269 979140067 /nfs/dbraw/zinc/14/00/67/979140067.db2.gz KGFNLOCLHFBZKW-ZEQRLZLVSA-N 2 1 418.622 3.949 20 0 HHADMP COc1cc(C[NH+]2CCC[C@@H]2[C@@H]2CCCO2)cc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000433209519 979144461 /nfs/dbraw/zinc/14/44/61/979144461.db2.gz REWDZYYPYPKXIQ-UCDDGIFISA-N 2 1 414.590 3.982 20 0 HHADMP COc1cc(C[NH+]2CCC[C@H]2[C@H]2CCCO2)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000433209519 979144466 /nfs/dbraw/zinc/14/44/66/979144466.db2.gz REWDZYYPYPKXIQ-UCDDGIFISA-N 2 1 414.590 3.982 20 0 HHADMP COc1cc(C[NH+]2CCC[C@H]2[C@H]2CCCO2)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000433209519 979144472 /nfs/dbraw/zinc/14/44/72/979144472.db2.gz REWDZYYPYPKXIQ-UCDDGIFISA-N 2 1 414.590 3.982 20 0 HHADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC[C@H]3CCCCO3)c(F)c2)CC1 ZINC000433376888 979263299 /nfs/dbraw/zinc/26/32/99/979263299.db2.gz ONKPYHHYZVGIKE-GHTZIAJQSA-N 2 1 408.558 3.925 20 0 HHADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000433388561 979270154 /nfs/dbraw/zinc/27/01/54/979270154.db2.gz VBLNAEHLOONAAZ-DENIHFKCSA-N 2 1 421.601 3.698 20 0 HHADMP O[C@H](CO[C@H]1CCCc2ccccc21)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434689593 980341448 /nfs/dbraw/zinc/34/14/48/980341448.db2.gz WRYVEDHHDOLFOI-UPVQGACJSA-N 2 1 409.574 3.854 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000436284440 981283298 /nfs/dbraw/zinc/28/32/98/981283298.db2.gz ZOCJAMXRLQFYDZ-UPVQGACJSA-N 2 1 421.585 3.848 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000448206416 981618790 /nfs/dbraw/zinc/61/87/90/981618790.db2.gz UZAMBXSHPHUXIZ-ZILOHOTNSA-N 2 1 410.606 3.870 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000448212811 981627128 /nfs/dbraw/zinc/62/71/28/981627128.db2.gz LYIHINVPFUMVQI-VDEHWKIFSA-N 2 1 410.606 3.698 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000448212811 981627132 /nfs/dbraw/zinc/62/71/32/981627132.db2.gz LYIHINVPFUMVQI-VDEHWKIFSA-N 2 1 410.606 3.698 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000448212811 981627133 /nfs/dbraw/zinc/62/71/33/981627133.db2.gz LYIHINVPFUMVQI-VDEHWKIFSA-N 2 1 410.606 3.698 20 0 HHADMP O=C(NCc1ccccc1C[NH+]1CCCCC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448213677 981627911 /nfs/dbraw/zinc/62/79/11/981627911.db2.gz NGRWJUMYLRBBQX-ISKFKSNPSA-N 2 1 410.606 3.831 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)[C@H](C)C1 ZINC000448460849 981794492 /nfs/dbraw/zinc/79/44/92/981794492.db2.gz GLOLSTOIAWORNK-OFNKIYASSA-N 2 1 400.611 3.934 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)[C@H](C)C1 ZINC000448461317 981794886 /nfs/dbraw/zinc/79/48/86/981794886.db2.gz KJRGVICNCPNJFD-NFBKMPQASA-N 2 1 400.611 3.790 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)[C@@H](C)C1 ZINC000448461688 981795369 /nfs/dbraw/zinc/79/53/69/981795369.db2.gz NGBYUQGICAQBLX-UWJYYQICSA-N 2 1 407.002 3.676 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000448461669 981795653 /nfs/dbraw/zinc/79/56/53/981795653.db2.gz NCHDRFHOITUJEY-AJSBUHFISA-N 2 1 416.610 3.594 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)[NH+]2CCCC2)cc1 ZINC000448465421 981799615 /nfs/dbraw/zinc/79/96/15/981799615.db2.gz IEGDBMITQIIJRJ-QFIPXVFZSA-N 2 1 409.578 3.530 20 0 HHADMP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448466114 981800289 /nfs/dbraw/zinc/80/02/89/981800289.db2.gz MIGILULBEDXFGB-YSIASYRMSA-N 2 1 402.608 3.543 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)[NH+]2CCCC2)cc1 ZINC000448466222 981801680 /nfs/dbraw/zinc/80/16/80/981801680.db2.gz LRIOBSGGHHHGJM-QTJGBDASSA-N 2 1 410.606 3.790 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)[C@H](C)C1 ZINC000448521130 981849179 /nfs/dbraw/zinc/84/91/79/981849179.db2.gz NDXLWKGTFKTNFZ-IDNQLYMWSA-N 2 1 400.611 3.515 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@H](C)C1 ZINC000448521130 981849183 /nfs/dbraw/zinc/84/91/83/981849183.db2.gz NDXLWKGTFKTNFZ-IDNQLYMWSA-N 2 1 400.611 3.515 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)[C@H](C)C1 ZINC000448521130 981849197 /nfs/dbraw/zinc/84/91/97/981849197.db2.gz NDXLWKGTFKTNFZ-IDNQLYMWSA-N 2 1 400.611 3.515 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCCC2)[C@@H](C)C1 ZINC000448523545 981851744 /nfs/dbraw/zinc/85/17/44/981851744.db2.gz YYQAJGSROMINFS-NZQKXSOJSA-N 2 1 400.611 3.934 20 0 HHADMP C[NH+](C)Cc1cc(CNC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccc1F ZINC000460338293 982110354 /nfs/dbraw/zinc/11/03/54/982110354.db2.gz IXAUJBJJNBASIU-JTHBVZDNSA-N 2 1 424.564 3.551 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000437548215 982178098 /nfs/dbraw/zinc/17/80/98/982178098.db2.gz KQTTXQBPHXUMJQ-CVDCTZTESA-N 2 1 413.610 3.703 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000437729015 982322406 /nfs/dbraw/zinc/32/24/06/982322406.db2.gz GAPIBSAZHGOMHV-WOJBJXKFSA-N 2 1 402.583 3.745 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1F ZINC000460553198 982338961 /nfs/dbraw/zinc/33/89/61/982338961.db2.gz WYGSCUIESVVBLI-FYYLOGMGSA-N 2 1 424.564 3.551 20 0 HHADMP C[C@H](NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000460658015 982428155 /nfs/dbraw/zinc/42/81/55/982428155.db2.gz RTWZTFNVCQIHMV-BIHRQFPBSA-N 2 1 424.633 3.803 20 0 HHADMP C[C@H](NC(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000460658015 982428156 /nfs/dbraw/zinc/42/81/56/982428156.db2.gz RTWZTFNVCQIHMV-BIHRQFPBSA-N 2 1 424.633 3.803 20 0 HHADMP C[C@H](NC(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000460658015 982428159 /nfs/dbraw/zinc/42/81/59/982428159.db2.gz RTWZTFNVCQIHMV-BIHRQFPBSA-N 2 1 424.633 3.803 20 0 HHADMP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000438083894 982578518 /nfs/dbraw/zinc/57/85/18/982578518.db2.gz WWWYYIHCLYCBRF-QFIPXVFZSA-N 2 1 416.635 3.664 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(Br)c1C ZINC000438138716 982608707 /nfs/dbraw/zinc/60/87/07/982608707.db2.gz WBMAZRYDGSAXLL-INIZCTEOSA-N 2 1 411.388 3.637 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(Br)c1C ZINC000438138717 982608894 /nfs/dbraw/zinc/60/88/94/982608894.db2.gz WBMAZRYDGSAXLL-MRXNPFEDSA-N 2 1 411.388 3.637 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000438155827 982619808 /nfs/dbraw/zinc/61/98/08/982619808.db2.gz RPPMGCCWCBAQSX-ISKFKSNPSA-N 2 1 412.622 3.947 20 0 HHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438155827 982619812 /nfs/dbraw/zinc/61/98/12/982619812.db2.gz RPPMGCCWCBAQSX-ISKFKSNPSA-N 2 1 412.622 3.947 20 0 HHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438155827 982619816 /nfs/dbraw/zinc/61/98/16/982619816.db2.gz RPPMGCCWCBAQSX-ISKFKSNPSA-N 2 1 412.622 3.947 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000438155830 982619947 /nfs/dbraw/zinc/61/99/47/982619947.db2.gz RPPMGCCWCBAQSX-VWNXMTODSA-N 2 1 412.622 3.947 20 0 HHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438155830 982619953 /nfs/dbraw/zinc/61/99/53/982619953.db2.gz RPPMGCCWCBAQSX-VWNXMTODSA-N 2 1 412.622 3.947 20 0 HHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000438155830 982619957 /nfs/dbraw/zinc/61/99/57/982619957.db2.gz RPPMGCCWCBAQSX-VWNXMTODSA-N 2 1 412.622 3.947 20 0 HHADMP Cc1ccc(N2CCC([NH2+]C3CCC(N4C(=O)c5ccccc5C4=O)CC3)CC2)[nH+]c1 ZINC000438184688 982638170 /nfs/dbraw/zinc/63/81/70/982638170.db2.gz BFXKHYYHKYYCCY-UHFFFAOYSA-N 2 1 418.541 3.556 20 0 HHADMP Cc1ccc(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000438295739 982706726 /nfs/dbraw/zinc/70/67/26/982706726.db2.gz VTQXPRIUZODSML-QFIPXVFZSA-N 2 1 424.589 3.921 20 0 HHADMP C[C@]1(c2ccccc2)CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000438495799 982838859 /nfs/dbraw/zinc/83/88/59/982838859.db2.gz WPKUQIXLZHIIKB-DEOSSOPVSA-N 2 1 409.599 3.838 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000438554897 982895115 /nfs/dbraw/zinc/89/51/15/982895115.db2.gz VASYBAMOLLUTRV-SFHVURJKSA-N 2 1 400.489 3.671 20 0 HHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000461260176 982965816 /nfs/dbraw/zinc/96/58/16/982965816.db2.gz CBMJYQZBEBHCPV-FPOVZHCZSA-N 2 1 411.512 3.774 20 0 HHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000461260176 982965820 /nfs/dbraw/zinc/96/58/20/982965820.db2.gz CBMJYQZBEBHCPV-FPOVZHCZSA-N 2 1 411.512 3.774 20 0 HHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000461260176 982965835 /nfs/dbraw/zinc/96/58/35/982965835.db2.gz CBMJYQZBEBHCPV-FPOVZHCZSA-N 2 1 411.512 3.774 20 0 HHADMP O=C(c1cccc(C[NH+]2CCCC2)c1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461429654 983092374 /nfs/dbraw/zinc/09/23/74/983092374.db2.gz NWYYNJZKJBZLQK-RPBOFIJWSA-N 2 1 403.570 3.877 20 0 HHADMP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461438702 983102698 /nfs/dbraw/zinc/10/26/98/983102698.db2.gz MNUBCCSOERYBBS-RPBOFIJWSA-N 2 1 403.570 3.877 20 0 HHADMP C[NH+](C)CCN(Cc1cccs1)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000439024734 983216932 /nfs/dbraw/zinc/21/69/32/983216932.db2.gz VGNGBRVLXZOIBQ-IBGZPJMESA-N 2 1 403.567 3.690 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@@H]3CCCC[N@H+]3CC(C)C)c(C)c2)CC1 ZINC000439076107 983238709 /nfs/dbraw/zinc/23/87/09/983238709.db2.gz HABMZMZRPQFFDK-QFIPXVFZSA-N 2 1 415.626 3.769 20 0 HHADMP C[NH+]1CCN(c2ncccc2C[NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000439134087 983266897 /nfs/dbraw/zinc/26/68/97/983266897.db2.gz LLSZMLBZTKTHOA-SFHVURJKSA-N 2 1 421.408 3.898 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000439194282 983302445 /nfs/dbraw/zinc/30/24/45/983302445.db2.gz VYIVLSIJADEUAK-JXALWOEJSA-N 2 1 421.589 3.569 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCN(c2ccccc2F)C1=O ZINC000439599216 983466420 /nfs/dbraw/zinc/46/64/20/983466420.db2.gz SMCHRRQZLFCHES-QFIPXVFZSA-N 2 1 407.489 3.946 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000439732780 983518607 /nfs/dbraw/zinc/51/86/07/983518607.db2.gz MQNKPRUCBIPQHO-CYFREDJKSA-N 2 1 424.564 3.917 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000439732780 983518609 /nfs/dbraw/zinc/51/86/09/983518609.db2.gz MQNKPRUCBIPQHO-CYFREDJKSA-N 2 1 424.564 3.917 20 0 HHADMP O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000440278907 983705011 /nfs/dbraw/zinc/70/50/11/983705011.db2.gz FPYMRBQUNGUJAH-DEOSSOPVSA-N 2 1 413.606 3.581 20 0 HHADMP CC(C)OC(=O)c1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000441156513 984094450 /nfs/dbraw/zinc/09/44/50/984094450.db2.gz QQIWJUPJDJVTAG-UHFFFAOYSA-N 2 1 415.622 3.880 20 0 HHADMP CC(C)OC(=O)c1ccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000441156513 984094458 /nfs/dbraw/zinc/09/44/58/984094458.db2.gz QQIWJUPJDJVTAG-UHFFFAOYSA-N 3 1 415.622 3.880 20 0 HHADMP CC(C)OC(=O)c1ccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000441156513 984094468 /nfs/dbraw/zinc/09/44/68/984094468.db2.gz QQIWJUPJDJVTAG-UHFFFAOYSA-N 3 1 415.622 3.880 20 0 HHADMP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000441243498 984134395 /nfs/dbraw/zinc/13/43/95/984134395.db2.gz JDMHNVMGTAFCMG-YCRPNKLZSA-N 2 1 409.496 3.831 20 0 HHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000441284005 984158102 /nfs/dbraw/zinc/15/81/02/984158102.db2.gz WIYGUSPBDQHBHH-OAQYLSRUSA-N 2 1 400.523 3.620 20 0 HHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000441284005 984158105 /nfs/dbraw/zinc/15/81/05/984158105.db2.gz WIYGUSPBDQHBHH-OAQYLSRUSA-N 2 1 400.523 3.620 20 0 HHADMP C[N@H+]1CCN(CC[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CC1(C)C ZINC000441341511 984196553 /nfs/dbraw/zinc/19/65/53/984196553.db2.gz OBSMPSQBVOEJAY-UHFFFAOYSA-N 2 1 423.424 3.688 20 0 HHADMP CCOc1cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)ccc1OCc1ccccc1 ZINC000441353665 984203167 /nfs/dbraw/zinc/20/31/67/984203167.db2.gz HBFSEZYLIAIOQZ-UHFFFAOYSA-N 2 1 411.590 3.780 20 0 HHADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccnc(-c4ccc(Br)cc4)n3)CC[C@@H]21 ZINC000441898052 984525188 /nfs/dbraw/zinc/52/51/88/984525188.db2.gz LYNLCMDUKIPLFA-APWZRJJASA-N 2 1 401.352 3.822 20 0 HHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccnc(-c4ccc(Br)cc4)n3)CC[C@@H]21 ZINC000441898052 984525194 /nfs/dbraw/zinc/52/51/94/984525194.db2.gz LYNLCMDUKIPLFA-APWZRJJASA-N 2 1 401.352 3.822 20 0 HHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccnc(-c4ccc(Br)cc4)n3)CC[C@@H]21 ZINC000441898052 984525197 /nfs/dbraw/zinc/52/51/97/984525197.db2.gz LYNLCMDUKIPLFA-APWZRJJASA-N 2 1 401.352 3.822 20 0 HHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccnc(-c4ccc(Br)cc4)n3)CC[C@@H]21 ZINC000441898052 984525200 /nfs/dbraw/zinc/52/52/00/984525200.db2.gz LYNLCMDUKIPLFA-APWZRJJASA-N 2 1 401.352 3.822 20 0 HHADMP C[C@H]1C[C@H](N(C)C(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000442240899 984762002 /nfs/dbraw/zinc/76/20/02/984762002.db2.gz JAVDEKPFVKZHFZ-MALGCSLJSA-N 2 1 400.611 3.801 20 0 HHADMP Cc1cc(CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc(N2CCCC2)[nH+]1 ZINC000462207789 985188941 /nfs/dbraw/zinc/18/89/41/985188941.db2.gz HLTJSMDMVIVWAN-UHFFFAOYSA-N 2 1 421.589 3.796 20 0 HHADMP C[N@@H+]1CCN(CC[NH2+][C@H](c2ccco2)c2ccc(Br)cc2)CC1(C)C ZINC000442892882 985264706 /nfs/dbraw/zinc/26/47/06/985264706.db2.gz WPEGRSDNFOMTFX-IBGZPJMESA-N 2 1 406.368 3.747 20 0 HHADMP C[N@H+]1CCN(CC[NH2+][C@H](c2ccco2)c2ccc(Br)cc2)CC1(C)C ZINC000442892882 985264719 /nfs/dbraw/zinc/26/47/19/985264719.db2.gz WPEGRSDNFOMTFX-IBGZPJMESA-N 2 1 406.368 3.747 20 0 HHADMP CCN(C(=O)NCC1(SC)CC[NH+](C)CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000462510644 985461768 /nfs/dbraw/zinc/46/17/68/985461768.db2.gz LQKBZABQCQYTLN-FPOVZHCZSA-N 2 1 418.651 3.681 20 0 HHADMP C[NH+](C)CCN(Cc1ccco1)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462741459 985682959 /nfs/dbraw/zinc/68/29/59/985682959.db2.gz ULLCVDURJRTWAR-JOCHJYFZSA-N 2 1 412.578 3.655 20 0 HHADMP C[NH+](C)CCC1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000462747900 985688967 /nfs/dbraw/zinc/68/89/67/985688967.db2.gz YCBQKMQPMYJADQ-QHCPKHFHSA-N 2 1 400.611 3.662 20 0 HHADMP CC(=O)N1CC[NH+](CCOc2ccc(CC[NH2+][C@@H]3C[C@@H](C)CC(C)(C)C3)cc2)CC1 ZINC000462775589 985711834 /nfs/dbraw/zinc/71/18/34/985711834.db2.gz QIUILRQXJGIGPX-NFBKMPQASA-N 2 1 415.622 3.576 20 0 HHADMP C[C@@H](CCc1ccsc1)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000462785379 985720374 /nfs/dbraw/zinc/72/03/74/985720374.db2.gz PFDHHLPNGXOERH-SFHVURJKSA-N 2 1 401.576 3.520 20 0 HHADMP C[C@H](CN1CCN(C)CC1)[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000462803056 985734978 /nfs/dbraw/zinc/73/49/78/985734978.db2.gz PRRDGGWWWISUIZ-QPPBQGQZSA-N 2 1 404.618 3.604 20 0 HHADMP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)nc(-c2ccc(Cl)cc2)n1 ZINC000443577111 985752962 /nfs/dbraw/zinc/75/29/62/985752962.db2.gz CKMSOTPFLWXHDK-NJDAHSKKSA-N 2 1 400.954 3.789 20 0 HHADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)nc(-c2ccc(Cl)cc2)n1 ZINC000443577111 985752969 /nfs/dbraw/zinc/75/29/69/985752969.db2.gz CKMSOTPFLWXHDK-NJDAHSKKSA-N 2 1 400.954 3.789 20 0 HHADMP C[C@H]1C[C@@H](C(=O)N2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)CC[N@H+]1C ZINC000468102222 985762462 /nfs/dbraw/zinc/76/24/62/985762462.db2.gz DHMYLKWYZGZAMZ-ROUUACIJSA-N 2 1 415.578 3.929 20 0 HHADMP COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1C ZINC000443602989 985780031 /nfs/dbraw/zinc/78/00/31/985780031.db2.gz PZPBLHYUMIGXCP-SFHVURJKSA-N 2 1 403.567 3.577 20 0 HHADMP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)N(Cc1ccco1)CC(F)(F)F ZINC000443606859 985784607 /nfs/dbraw/zinc/78/46/07/985784607.db2.gz QHJCFLOIHPUBDF-UHFFFAOYSA-N 2 1 415.500 3.759 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N(C)[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000443636946 985820029 /nfs/dbraw/zinc/82/00/29/985820029.db2.gz HFQDYIPDCXTMNB-AWWSKVOZSA-N 2 1 400.611 3.646 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000443636946 985820044 /nfs/dbraw/zinc/82/00/44/985820044.db2.gz HFQDYIPDCXTMNB-AWWSKVOZSA-N 2 1 400.611 3.646 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000443636946 985820049 /nfs/dbraw/zinc/82/00/49/985820049.db2.gz HFQDYIPDCXTMNB-AWWSKVOZSA-N 2 1 400.611 3.646 20 0 HHADMP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC000443638766 985824658 /nfs/dbraw/zinc/82/46/58/985824658.db2.gz MLCRMHCBQBTYTJ-JRGCBEDISA-N 2 1 407.002 3.676 20 0 HHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC000443638766 985824675 /nfs/dbraw/zinc/82/46/75/985824675.db2.gz MLCRMHCBQBTYTJ-JRGCBEDISA-N 2 1 407.002 3.676 20 0 HHADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000443638766 985824688 /nfs/dbraw/zinc/82/46/88/985824688.db2.gz MLCRMHCBQBTYTJ-JRGCBEDISA-N 2 1 407.002 3.676 20 0 HHADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000443638766 985824694 /nfs/dbraw/zinc/82/46/94/985824694.db2.gz MLCRMHCBQBTYTJ-JRGCBEDISA-N 2 1 407.002 3.676 20 0 HHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nc4ccc(Br)cc4o3)CC2)C[C@H](C)O1 ZINC000463079559 986036936 /nfs/dbraw/zinc/03/69/36/986036936.db2.gz FBFJLDALHJQIGR-GASCZTMLSA-N 2 1 422.367 3.912 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nc4ccc(Br)cc4o3)CC2)C[C@H](C)O1 ZINC000463079559 986036941 /nfs/dbraw/zinc/03/69/41/986036941.db2.gz FBFJLDALHJQIGR-GASCZTMLSA-N 2 1 422.367 3.912 20 0 HHADMP Brc1ccc2nc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)oc2c1 ZINC000463079851 986037625 /nfs/dbraw/zinc/03/76/25/986037625.db2.gz LFJDSMFVSLTVKT-UHFFFAOYSA-N 2 1 408.340 3.525 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@@H]3Cc3ccccc3)c2)C1 ZINC000468429569 986128004 /nfs/dbraw/zinc/12/80/04/986128004.db2.gz QCKOMILIRVIWLB-SDHSZQHLSA-N 2 1 405.586 3.885 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(=O)CCc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463193631 986166111 /nfs/dbraw/zinc/16/61/11/986166111.db2.gz RZLSULZIIMUBSZ-NQHRYMMQSA-N 2 1 405.586 3.863 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(=O)CCc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463193631 986166115 /nfs/dbraw/zinc/16/61/15/986166115.db2.gz RZLSULZIIMUBSZ-NQHRYMMQSA-N 2 1 405.586 3.863 20 0 HHADMP C[C@H](CCc1ccc(F)cc1)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000468511575 986212610 /nfs/dbraw/zinc/21/26/10/986212610.db2.gz NQHUNBUZZDKBDG-LJQANCHMSA-N 2 1 413.537 3.597 20 0 HHADMP C[C@@H]1C[C@H](NC[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000463244825 986212822 /nfs/dbraw/zinc/21/28/22/986212822.db2.gz YZRHPLGTLMCMEI-DNRSQYFGSA-N 2 1 407.602 3.920 20 0 HHADMP C[C@@H]1C[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC[NH+]1Cc1ccccc1 ZINC000463244825 986212831 /nfs/dbraw/zinc/21/28/31/986212831.db2.gz YZRHPLGTLMCMEI-DNRSQYFGSA-N 2 1 407.602 3.920 20 0 HHADMP C[C@@H]1C[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC[NH+]1Cc1ccccc1 ZINC000463244825 986212842 /nfs/dbraw/zinc/21/28/42/986212842.db2.gz YZRHPLGTLMCMEI-DNRSQYFGSA-N 2 1 407.602 3.920 20 0 HHADMP CN1CCN(c2ncc(C[N@H+]3CCC[C@H](Cc4csc5ccccc45)C3)cn2)CC1 ZINC000468686336 986397528 /nfs/dbraw/zinc/39/75/28/986397528.db2.gz VFRUXVLTMVVOOP-LJQANCHMSA-N 2 1 421.614 3.898 20 0 HHADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H](Cc4csc5ccccc45)C3)cn2)CC1 ZINC000468686336 986397536 /nfs/dbraw/zinc/39/75/36/986397536.db2.gz VFRUXVLTMVVOOP-LJQANCHMSA-N 2 1 421.614 3.898 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000444346067 986527847 /nfs/dbraw/zinc/52/78/47/986527847.db2.gz WJJFUVJLIZAIPM-SFHVURJKSA-N 2 1 421.545 3.682 20 0 HHADMP O=C(CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000444604136 986791529 /nfs/dbraw/zinc/79/15/29/986791529.db2.gz ZWZROUKWMIXLAX-UIOOFZCWSA-N 2 1 417.597 3.948 20 0 HHADMP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000444604136 986791539 /nfs/dbraw/zinc/79/15/39/986791539.db2.gz ZWZROUKWMIXLAX-UIOOFZCWSA-N 2 1 417.597 3.948 20 0 HHADMP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000444604136 986791547 /nfs/dbraw/zinc/79/15/47/986791547.db2.gz ZWZROUKWMIXLAX-UIOOFZCWSA-N 2 1 417.597 3.948 20 0 HHADMP CC1(C)C[C@@H]([NH2+]CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C(C)(C)O1 ZINC000444642628 986828498 /nfs/dbraw/zinc/82/84/98/986828498.db2.gz ITXWGTJCYXVWLX-RBUKOAKNSA-N 2 1 407.986 3.529 20 0 HHADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000469176219 986901592 /nfs/dbraw/zinc/90/15/92/986901592.db2.gz XLJIIMCPMIKXHH-URVUXULASA-N 2 1 409.574 3.976 20 0 HHADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000469176219 986901594 /nfs/dbraw/zinc/90/15/94/986901594.db2.gz XLJIIMCPMIKXHH-URVUXULASA-N 2 1 409.574 3.976 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cccc2c1OCC2(C)C ZINC000469232864 986953276 /nfs/dbraw/zinc/95/32/76/986953276.db2.gz IAVBXSVNFCLEQZ-UHFFFAOYSA-N 2 1 413.606 3.625 20 0 HHADMP O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000469413700 987105127 /nfs/dbraw/zinc/10/51/27/987105127.db2.gz JCPUGVMRTJARHM-GOSISDBHSA-N 2 1 417.504 3.979 20 0 HHADMP O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000469413700 987105134 /nfs/dbraw/zinc/10/51/34/987105134.db2.gz JCPUGVMRTJARHM-GOSISDBHSA-N 2 1 417.504 3.979 20 0 HHADMP O=C(NCC1CC[NH+](C2CC2)CC1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000444989385 987117700 /nfs/dbraw/zinc/11/77/00/987117700.db2.gz RWEYNONMJHNFLP-ISKFKSNPSA-N 2 1 410.606 3.557 20 0 HHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000469566064 987235421 /nfs/dbraw/zinc/23/54/21/987235421.db2.gz YVCDWSVQGQXBGU-HSZRJFAPSA-N 2 1 400.611 3.849 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCCO3)[C@@H](C)C1 ZINC000469788833 987433841 /nfs/dbraw/zinc/43/38/41/987433841.db2.gz CEQKYUZXWDFLTE-PXNSSMCTSA-N 2 1 410.986 3.770 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H](C)[C@H](n4ccnc4)C3)cc2)C1 ZINC000469866102 987503568 /nfs/dbraw/zinc/50/35/68/987503568.db2.gz OTDCBNHABKLFFE-ZRCGQRJVSA-N 2 1 409.578 3.908 20 0 HHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](C(F)(F)F)C2(C)C)CC1 ZINC000469990023 987605753 /nfs/dbraw/zinc/60/57/53/987605753.db2.gz IMKPVSKVFJNMTM-LJQANCHMSA-N 2 1 411.512 3.692 20 0 HHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](C(F)(F)F)C2(C)C)CC1 ZINC000469990023 987605757 /nfs/dbraw/zinc/60/57/57/987605757.db2.gz IMKPVSKVFJNMTM-LJQANCHMSA-N 2 1 411.512 3.692 20 0 HHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)CC1 ZINC000469990023 987605763 /nfs/dbraw/zinc/60/57/63/987605763.db2.gz IMKPVSKVFJNMTM-LJQANCHMSA-N 2 1 411.512 3.692 20 0 HHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)CC1 ZINC000469990023 987605766 /nfs/dbraw/zinc/60/57/66/987605766.db2.gz IMKPVSKVFJNMTM-LJQANCHMSA-N 2 1 411.512 3.692 20 0 HHADMP CCOC(=O)[C@](C)(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000470151323 988060192 /nfs/dbraw/zinc/06/01/92/988060192.db2.gz HGNUXVAAJYADCT-RUZDIDTESA-N 2 1 412.549 3.943 20 0 HHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000470229110 988162367 /nfs/dbraw/zinc/16/23/67/988162367.db2.gz AHXCEHLUKZDXFH-RBBKRZOGSA-N 2 1 423.523 3.631 20 0 HHADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000470229110 988162369 /nfs/dbraw/zinc/16/23/69/988162369.db2.gz AHXCEHLUKZDXFH-RBBKRZOGSA-N 2 1 423.523 3.631 20 0 HHADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000470229110 988162374 /nfs/dbraw/zinc/16/23/74/988162374.db2.gz AHXCEHLUKZDXFH-RBBKRZOGSA-N 2 1 423.523 3.631 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C[C@@H]1C ZINC000470278858 988233438 /nfs/dbraw/zinc/23/34/38/988233438.db2.gz HYSVVSMJJKJZDT-SNRMKQJTSA-N 2 1 414.516 3.822 20 0 HHADMP CC(C)[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1)C(F)(F)F ZINC000470438724 988410391 /nfs/dbraw/zinc/41/03/91/988410391.db2.gz QDUNKIFWJZALSO-KSZLIROESA-N 2 1 406.537 3.552 20 0 HHADMP CC(C)[NH+](CCCNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)C(C)C ZINC000470464076 988451288 /nfs/dbraw/zinc/45/12/88/988451288.db2.gz AJHLDWJJMKVKNJ-UHFFFAOYSA-N 2 1 410.553 3.737 20 0 HHADMP CN(C(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470675104 988699709 /nfs/dbraw/zinc/69/97/09/988699709.db2.gz PJKYGKIQRGXXRS-XMMPIXPASA-N 2 1 400.526 3.984 20 0 HHADMP C[C@@H](CNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000470729919 988760384 /nfs/dbraw/zinc/76/03/84/988760384.db2.gz MOPQXDJQIWHZPT-SQJMNOBHSA-N 2 1 420.601 3.739 20 0 HHADMP C[C@@H](CNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000470729919 988760387 /nfs/dbraw/zinc/76/03/87/988760387.db2.gz MOPQXDJQIWHZPT-SQJMNOBHSA-N 2 1 420.601 3.739 20 0 HHADMP C[C@@H](CNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000470729919 988760393 /nfs/dbraw/zinc/76/03/93/988760393.db2.gz MOPQXDJQIWHZPT-SQJMNOBHSA-N 2 1 420.601 3.739 20 0 HHADMP CN(C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470739029 988776034 /nfs/dbraw/zinc/77/60/34/988776034.db2.gz XVVCOLICCJSKON-PKTZIBPZSA-N 2 1 412.553 3.734 20 0 HHADMP Cc1cc(N2CCC[C@@H]([NH+]3CCC(c4[nH]cc[nH+]4)CC3)C2=O)ccc1Br ZINC000464677357 988878210 /nfs/dbraw/zinc/87/82/10/988878210.db2.gz LIZMHPKVYMYQLT-GOSISDBHSA-N 2 1 417.351 3.856 20 0 HHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000464769925 988993962 /nfs/dbraw/zinc/99/39/62/988993962.db2.gz BFMRBAMKOUIXLZ-CQSZACIVSA-N 2 1 400.336 3.581 20 0 HHADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000464772582 988996798 /nfs/dbraw/zinc/99/67/98/988996798.db2.gz HUGTZBWGKGENMU-WOJBJXKFSA-N 2 1 407.649 3.780 20 0 HHADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000470965230 989029293 /nfs/dbraw/zinc/02/92/93/989029293.db2.gz DQRXWXRARKIVAG-OAQYLSRUSA-N 2 1 419.569 3.910 20 0 HHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000470965230 989029304 /nfs/dbraw/zinc/02/93/04/989029304.db2.gz DQRXWXRARKIVAG-OAQYLSRUSA-N 2 1 419.569 3.910 20 0 HHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000470965230 989029315 /nfs/dbraw/zinc/02/93/15/989029315.db2.gz DQRXWXRARKIVAG-OAQYLSRUSA-N 2 1 419.569 3.910 20 0 HHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000470965230 989029325 /nfs/dbraw/zinc/02/93/25/989029325.db2.gz DQRXWXRARKIVAG-OAQYLSRUSA-N 2 1 419.569 3.910 20 0 HHADMP Clc1ccc(-c2noc(CC[N@H+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)n2)cc1 ZINC000471006336 989073847 /nfs/dbraw/zinc/07/38/47/989073847.db2.gz MYJOETOVJMQVKY-BGYRXZFFSA-N 2 1 408.933 3.996 20 0 HHADMP Clc1ccc(-c2noc(CC[N@@H+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)n2)cc1 ZINC000471006336 989073855 /nfs/dbraw/zinc/07/38/55/989073855.db2.gz MYJOETOVJMQVKY-BGYRXZFFSA-N 2 1 408.933 3.996 20 0 HHADMP Clc1ccc(-c2noc(CC[NH+]3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)n2)cc1 ZINC000471006336 989073870 /nfs/dbraw/zinc/07/38/70/989073870.db2.gz MYJOETOVJMQVKY-BGYRXZFFSA-N 2 1 408.933 3.996 20 0 HHADMP Clc1ccc(-c2noc(CC[NH+]3C[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)n2)cc1 ZINC000471006336 989073883 /nfs/dbraw/zinc/07/38/83/989073883.db2.gz MYJOETOVJMQVKY-BGYRXZFFSA-N 2 1 408.933 3.996 20 0 HHADMP C[N@@H+](CCCCN1C(=O)c2ccccc2C1=O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844409 989093276 /nfs/dbraw/zinc/09/32/76/989093276.db2.gz AQYFURQARWGINM-OAQYLSRUSA-N 2 1 405.542 3.517 20 0 HHADMP C[NH+](CCCCN1C(=O)c2ccccc2C1=O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464844409 989093308 /nfs/dbraw/zinc/09/33/08/989093308.db2.gz AQYFURQARWGINM-OAQYLSRUSA-N 2 1 405.542 3.517 20 0 HHADMP C[NH+](CCCCN1C(=O)c2ccccc2C1=O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464844409 989093315 /nfs/dbraw/zinc/09/33/15/989093315.db2.gz AQYFURQARWGINM-OAQYLSRUSA-N 2 1 405.542 3.517 20 0 HHADMP CCC[N@H+](Cc1ccc(C(=O)OC)c(F)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000464882855 989148380 /nfs/dbraw/zinc/14/83/80/989148380.db2.gz LHXALQARDSHQNV-UHFFFAOYSA-N 2 1 414.525 3.900 20 0 HHADMP CCC[N@@H+](Cc1ccc(C(=O)OC)c(F)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000464882855 989148382 /nfs/dbraw/zinc/14/83/82/989148382.db2.gz LHXALQARDSHQNV-UHFFFAOYSA-N 2 1 414.525 3.900 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)C1 ZINC000464953962 989250295 /nfs/dbraw/zinc/25/02/95/989250295.db2.gz QMILYXIWNXVWBC-OFNKIYASSA-N 2 1 400.611 3.696 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000464953962 989250302 /nfs/dbraw/zinc/25/03/02/989250302.db2.gz QMILYXIWNXVWBC-OFNKIYASSA-N 2 1 400.611 3.696 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000464953962 989250308 /nfs/dbraw/zinc/25/03/08/989250308.db2.gz QMILYXIWNXVWBC-OFNKIYASSA-N 2 1 400.611 3.696 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[NH+](CC(C)C)C1 ZINC000465076693 989396507 /nfs/dbraw/zinc/39/65/07/989396507.db2.gz FDYMLEIDPASGIC-GOTSBHOMSA-N 2 1 400.611 3.518 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000465076693 989396523 /nfs/dbraw/zinc/39/65/23/989396523.db2.gz FDYMLEIDPASGIC-GOTSBHOMSA-N 2 1 400.611 3.518 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000465076693 989396535 /nfs/dbraw/zinc/39/65/35/989396535.db2.gz FDYMLEIDPASGIC-GOTSBHOMSA-N 2 1 400.611 3.518 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1)C1CC1 ZINC000471380679 989558895 /nfs/dbraw/zinc/55/88/95/989558895.db2.gz RCRFBLWXZBCERX-PSWAGMNNSA-N 2 1 403.570 3.875 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1)C1CC1 ZINC000471380679 989558902 /nfs/dbraw/zinc/55/89/02/989558902.db2.gz RCRFBLWXZBCERX-PSWAGMNNSA-N 2 1 403.570 3.875 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1)C1CC1 ZINC000471380679 989558905 /nfs/dbraw/zinc/55/89/05/989558905.db2.gz RCRFBLWXZBCERX-PSWAGMNNSA-N 2 1 403.570 3.875 20 0 HHADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471394656 989572389 /nfs/dbraw/zinc/57/23/89/989572389.db2.gz QRBATDBTKHJWMA-BGYRXZFFSA-N 2 1 403.526 3.698 20 0 HHADMP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471511844 989710637 /nfs/dbraw/zinc/71/06/37/989710637.db2.gz UPSKMTFBJPEMNP-BDTNDASRSA-N 2 1 424.614 3.658 20 0 HHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471535473 989734909 /nfs/dbraw/zinc/73/49/09/989734909.db2.gz FKSFWTSXKPSTCO-JOCHJYFZSA-N 2 1 408.590 3.850 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000465413994 989760128 /nfs/dbraw/zinc/76/01/28/989760128.db2.gz UDEJXJZUUQVDAT-RTWAWAEBSA-N 2 1 414.619 3.904 20 0 HHADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471590923 989794028 /nfs/dbraw/zinc/79/40/28/989794028.db2.gz OSWWDDZKEAEEQD-DEOSSOPVSA-N 2 1 406.574 3.604 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000471616076 989820587 /nfs/dbraw/zinc/82/05/87/989820587.db2.gz BJEDAHHZPVXTNA-XJUOHMSHSA-N 2 1 400.611 3.566 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000471616076 989820604 /nfs/dbraw/zinc/82/06/04/989820604.db2.gz BJEDAHHZPVXTNA-XJUOHMSHSA-N 2 1 400.611 3.566 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000471616076 989820615 /nfs/dbraw/zinc/82/06/15/989820615.db2.gz BJEDAHHZPVXTNA-XJUOHMSHSA-N 2 1 400.611 3.566 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000465513650 989864197 /nfs/dbraw/zinc/86/41/97/989864197.db2.gz HGLGKSKSZTWGLA-RUZDIDTESA-N 2 1 420.601 3.946 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccsc1 ZINC000465533149 989894309 /nfs/dbraw/zinc/89/43/09/989894309.db2.gz JFWPFHVLYBFUBG-WDYCEAGBSA-N 2 1 406.621 3.795 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465534355 989896607 /nfs/dbraw/zinc/89/66/07/989896607.db2.gz PZWZLRNASAZTAL-XJUOHMSHSA-N 2 1 400.611 3.518 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465534355 989896625 /nfs/dbraw/zinc/89/66/25/989896625.db2.gz PZWZLRNASAZTAL-XJUOHMSHSA-N 2 1 400.611 3.518 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465534355 989896637 /nfs/dbraw/zinc/89/66/37/989896637.db2.gz PZWZLRNASAZTAL-XJUOHMSHSA-N 2 1 400.611 3.518 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000465535292 989897843 /nfs/dbraw/zinc/89/78/43/989897843.db2.gz AKSOEXCWGRUFFJ-YOUFYPILSA-N 2 1 406.640 3.798 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000465535292 989897849 /nfs/dbraw/zinc/89/78/49/989897849.db2.gz AKSOEXCWGRUFFJ-YOUFYPILSA-N 2 1 406.640 3.798 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000465535292 989897859 /nfs/dbraw/zinc/89/78/59/989897859.db2.gz AKSOEXCWGRUFFJ-YOUFYPILSA-N 2 1 406.640 3.798 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000465550355 989913222 /nfs/dbraw/zinc/91/32/22/989913222.db2.gz WZBXIAHLIGVPKU-BGYRXZFFSA-N 2 1 411.594 3.949 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000465550355 989913226 /nfs/dbraw/zinc/91/32/26/989913226.db2.gz WZBXIAHLIGVPKU-BGYRXZFFSA-N 2 1 411.594 3.949 20 0 HHADMP CC(C)[C@H](CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000465552983 989916200 /nfs/dbraw/zinc/91/62/00/989916200.db2.gz ZVPPJTMBLYPORT-RPWUZVMVSA-N 2 1 414.638 3.906 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)NC3CC[NH+](Cc4ccccc4C)CC3)CC2)[nH+]c1 ZINC000465584147 989956819 /nfs/dbraw/zinc/95/68/19/989956819.db2.gz ZKRBTYVGOQJQFP-UHFFFAOYSA-N 2 1 421.589 3.631 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465593563 989971806 /nfs/dbraw/zinc/97/18/06/989971806.db2.gz GKWUPKNBIUOTSI-FYYLOGMGSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000465593563 989971814 /nfs/dbraw/zinc/97/18/14/989971814.db2.gz GKWUPKNBIUOTSI-FYYLOGMGSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000465593563 989971829 /nfs/dbraw/zinc/97/18/29/989971829.db2.gz GKWUPKNBIUOTSI-FYYLOGMGSA-N 2 1 400.611 3.805 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000471805568 989988645 /nfs/dbraw/zinc/98/86/45/989988645.db2.gz SUCOQTKFCYDMKO-FCHUYYIVSA-N 2 1 410.562 3.546 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)cc1 ZINC000465624436 990009342 /nfs/dbraw/zinc/00/93/42/990009342.db2.gz FXIOPLJUXWOYRY-UHFFFAOYSA-N 2 1 420.557 3.973 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)cc1 ZINC000465624436 990009348 /nfs/dbraw/zinc/00/93/48/990009348.db2.gz FXIOPLJUXWOYRY-UHFFFAOYSA-N 2 1 420.557 3.973 20 0 HHADMP C[C@H](CNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)C[NH+]1CCCCC1 ZINC000465693520 990080275 /nfs/dbraw/zinc/08/02/75/990080275.db2.gz RGULOGQPWZZCIN-HXUWFJFHSA-N 2 1 412.578 3.833 20 0 HHADMP C[C@H](CNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)C[NH+]1CCCCC1 ZINC000465693520 990080285 /nfs/dbraw/zinc/08/02/85/990080285.db2.gz RGULOGQPWZZCIN-HXUWFJFHSA-N 2 1 412.578 3.833 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)C1 ZINC000465695382 990081667 /nfs/dbraw/zinc/08/16/67/990081667.db2.gz SCDACMSVAAFIER-IRLDBZIGSA-N 2 1 416.610 3.596 20 0 HHADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000465724704 990110150 /nfs/dbraw/zinc/11/01/50/990110150.db2.gz NQINVCPYROKMRF-URVUXULASA-N 2 1 414.619 3.603 20 0 HHADMP C[N@@H+](CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1)Cc1ccccc1 ZINC000465747440 990132960 /nfs/dbraw/zinc/13/29/60/990132960.db2.gz FOPKXCHERTVZLH-PZJWPPBQSA-N 2 1 400.592 3.562 20 0 HHADMP C[NH+](CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)Cc1ccccc1 ZINC000465747440 990132963 /nfs/dbraw/zinc/13/29/63/990132963.db2.gz FOPKXCHERTVZLH-PZJWPPBQSA-N 2 1 400.592 3.562 20 0 HHADMP C[NH+](CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)Cc1ccccc1 ZINC000465747440 990132969 /nfs/dbraw/zinc/13/29/69/990132969.db2.gz FOPKXCHERTVZLH-PZJWPPBQSA-N 2 1 400.592 3.562 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000465753815 990139882 /nfs/dbraw/zinc/13/98/82/990139882.db2.gz MBIGNFMGROPLCG-QNWVGRARSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000465753815 990139888 /nfs/dbraw/zinc/13/98/88/990139888.db2.gz MBIGNFMGROPLCG-QNWVGRARSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000465753815 990139897 /nfs/dbraw/zinc/13/98/97/990139897.db2.gz MBIGNFMGROPLCG-QNWVGRARSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465757291 990143456 /nfs/dbraw/zinc/14/34/56/990143456.db2.gz OLBHPYFYDNSDLM-UNMCSNQZSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465757291 990143462 /nfs/dbraw/zinc/14/34/62/990143462.db2.gz OLBHPYFYDNSDLM-UNMCSNQZSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465757291 990143466 /nfs/dbraw/zinc/14/34/66/990143466.db2.gz OLBHPYFYDNSDLM-UNMCSNQZSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472001181 990169341 /nfs/dbraw/zinc/16/93/41/990169341.db2.gz GIXPNVVXDDWLLA-ZODMCCGTSA-N 2 1 420.601 3.718 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472001181 990169346 /nfs/dbraw/zinc/16/93/46/990169346.db2.gz GIXPNVVXDDWLLA-ZODMCCGTSA-N 2 1 420.601 3.718 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472001181 990169349 /nfs/dbraw/zinc/16/93/49/990169349.db2.gz GIXPNVVXDDWLLA-ZODMCCGTSA-N 2 1 420.601 3.718 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NCC[C@H](C)[N@H+](C)Cc3ccccc3)CC2)cs1 ZINC000472060918 990224513 /nfs/dbraw/zinc/22/45/13/990224513.db2.gz ZGEXYXBNHYLVPE-SFHVURJKSA-N 2 1 414.619 3.690 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NCC[C@H](C)[N@@H+](C)Cc3ccccc3)CC2)cs1 ZINC000472060918 990224524 /nfs/dbraw/zinc/22/45/24/990224524.db2.gz ZGEXYXBNHYLVPE-SFHVURJKSA-N 2 1 414.619 3.690 20 0 HHADMP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[NH+](C)Cc1ccccc1 ZINC000465876942 990992596 /nfs/dbraw/zinc/99/25/96/990992596.db2.gz MKYLQSAOZDBVGB-CBQOVEMMSA-N 2 1 414.619 3.951 20 0 HHADMP C[C@H](CNC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1)[N@H+](C)Cc1ccccc1 ZINC000465876942 990992607 /nfs/dbraw/zinc/99/26/07/990992607.db2.gz MKYLQSAOZDBVGB-CBQOVEMMSA-N 2 1 414.619 3.951 20 0 HHADMP C[C@H](CNC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1)[N@@H+](C)Cc1ccccc1 ZINC000465876942 990992618 /nfs/dbraw/zinc/99/26/18/990992618.db2.gz MKYLQSAOZDBVGB-CBQOVEMMSA-N 2 1 414.619 3.951 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000465888362 991012592 /nfs/dbraw/zinc/01/25/92/991012592.db2.gz CXBPDLFRDUZDJR-FCHUYYIVSA-N 2 1 404.574 3.724 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000466014460 991179398 /nfs/dbraw/zinc/17/93/98/991179398.db2.gz YLQAIZQAOBJKNG-UHFFFAOYSA-N 2 1 410.562 3.681 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000466014460 991179401 /nfs/dbraw/zinc/17/94/01/991179401.db2.gz YLQAIZQAOBJKNG-UHFFFAOYSA-N 2 1 410.562 3.681 20 0 HHADMP C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@@H]1c1cccs1 ZINC000466092816 991271808 /nfs/dbraw/zinc/27/18/08/991271808.db2.gz BDXMGADONLTMPP-PZJWPPBQSA-N 2 1 404.624 3.648 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000466101828 991280982 /nfs/dbraw/zinc/28/09/82/991280982.db2.gz QKOQKGNCIMHUIM-OFNKIYASSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C[N@H+]1Cc1ccccc1 ZINC000466248280 991483997 /nfs/dbraw/zinc/48/39/97/991483997.db2.gz KTEOOYDVXWWQKA-ZODMCCGTSA-N 2 1 420.601 3.513 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C[NH+]1Cc1ccccc1 ZINC000466248280 991484014 /nfs/dbraw/zinc/48/40/14/991484014.db2.gz KTEOOYDVXWWQKA-ZODMCCGTSA-N 2 1 420.601 3.513 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C[NH+]1Cc1ccccc1 ZINC000466248280 991484020 /nfs/dbraw/zinc/48/40/20/991484020.db2.gz KTEOOYDVXWWQKA-ZODMCCGTSA-N 2 1 420.601 3.513 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC1 ZINC000466290300 991540117 /nfs/dbraw/zinc/54/01/17/991540117.db2.gz XLMRODFYRRWIMY-DEOSSOPVSA-N 2 1 412.622 3.805 20 0 HHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000466290300 991540130 /nfs/dbraw/zinc/54/01/30/991540130.db2.gz XLMRODFYRRWIMY-DEOSSOPVSA-N 2 1 412.622 3.805 20 0 HHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000466290300 991540142 /nfs/dbraw/zinc/54/01/42/991540142.db2.gz XLMRODFYRRWIMY-DEOSSOPVSA-N 2 1 412.622 3.805 20 0 HHADMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000466733036 992042366 /nfs/dbraw/zinc/04/23/66/992042366.db2.gz NZEMQURPATTYNT-MRXNPFEDSA-N 2 1 415.500 3.855 20 0 HHADMP C[NH+](C)CCc1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000466783226 992090441 /nfs/dbraw/zinc/09/04/41/992090441.db2.gz UUJNQTWOJNYWPE-FCHUYYIVSA-N 2 1 414.981 3.689 20 0 HHADMP C[NH+](C)CCc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000466783226 992090452 /nfs/dbraw/zinc/09/04/52/992090452.db2.gz UUJNQTWOJNYWPE-FCHUYYIVSA-N 2 1 414.981 3.689 20 0 HHADMP C[NH+](C)CCc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000466783227 992090603 /nfs/dbraw/zinc/09/06/03/992090603.db2.gz UUJNQTWOJNYWPE-FGZHOGPDSA-N 2 1 414.981 3.689 20 0 HHADMP C[NH+](C)CCc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000466783227 992090614 /nfs/dbraw/zinc/09/06/14/992090614.db2.gz UUJNQTWOJNYWPE-FGZHOGPDSA-N 2 1 414.981 3.689 20 0 HHADMP Cc1ccc(-c2noc([C@H](C)[NH+]3CCC(OCC[NH+]4CCCC4)CC3)n2)cc1F ZINC000466908363 992224602 /nfs/dbraw/zinc/22/46/02/992224602.db2.gz BVUQSCHQWCSNAL-KRWDZBQOSA-N 2 1 402.514 3.822 20 0 HHADMP C[NH+](C)CCc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000467007918 992315999 /nfs/dbraw/zinc/31/59/99/992315999.db2.gz VDZYJWGYGIKDBR-NRFANRHFSA-N 2 1 414.619 3.564 20 0 HHADMP COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000467206025 992530735 /nfs/dbraw/zinc/53/07/35/992530735.db2.gz JPAYZARRAGVYLE-QGZVFWFLSA-N 2 1 423.985 3.561 20 0 HHADMP COCC[NH+]1CCC([NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000467426833 992726355 /nfs/dbraw/zinc/72/63/55/992726355.db2.gz YSJMUXFEGWBZNJ-HXUWFJFHSA-N 2 1 411.384 3.617 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000472326152 993336014 /nfs/dbraw/zinc/33/60/14/993336014.db2.gz YRZWAXAPRDDGQD-NHTMILBNSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000472326152 993336017 /nfs/dbraw/zinc/33/60/17/993336017.db2.gz YRZWAXAPRDDGQD-NHTMILBNSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000472326152 993336025 /nfs/dbraw/zinc/33/60/25/993336025.db2.gz YRZWAXAPRDDGQD-NHTMILBNSA-N 2 1 412.622 3.805 20 0 HHADMP Cc1c([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)nnn1-c1ccccc1 ZINC000480792402 993661285 /nfs/dbraw/zinc/66/12/85/993661285.db2.gz BHRQBDPJGLQTOX-RDPSFJRHSA-N 2 1 418.589 3.605 20 0 HHADMP Cc1ccc(SCCNC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481176839 994007552 /nfs/dbraw/zinc/00/75/52/994007552.db2.gz STLMYHFEORQIOK-NFBKMPQASA-N 2 1 411.615 3.704 20 0 HHADMP Cc1ccc(SCCNC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481176839 994007561 /nfs/dbraw/zinc/00/75/61/994007561.db2.gz STLMYHFEORQIOK-NFBKMPQASA-N 2 1 411.615 3.704 20 0 HHADMP C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000481180547 994010219 /nfs/dbraw/zinc/01/02/19/994010219.db2.gz UMCICAYQBLLSAX-INIZCTEOSA-N 2 1 421.379 3.806 20 0 HHADMP Cc1ccc(NC(=O)NC(=O)[C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000481190827 994023248 /nfs/dbraw/zinc/02/32/48/994023248.db2.gz PEZBVRNTGICDIR-JTAQYXEDSA-N 2 1 422.573 3.840 20 0 HHADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCCCSc1ccccc1 ZINC000481190754 994023610 /nfs/dbraw/zinc/02/36/10/994023610.db2.gz LXTXTNBTHKVUON-NZQKXSOJSA-N 2 1 411.615 3.785 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCCCSc1ccccc1 ZINC000481190754 994023622 /nfs/dbraw/zinc/02/36/22/994023622.db2.gz LXTXTNBTHKVUON-NZQKXSOJSA-N 2 1 411.615 3.785 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCCCSc1ccccc1 ZINC000481190754 994023632 /nfs/dbraw/zinc/02/36/32/994023632.db2.gz LXTXTNBTHKVUON-NZQKXSOJSA-N 2 1 411.615 3.785 20 0 HHADMP CCOc1ccc(CN(C)C(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481204922 994037797 /nfs/dbraw/zinc/03/77/97/994037797.db2.gz VMJDOVNPLKYXHE-YKSBVNFPSA-N 2 1 409.574 3.544 20 0 HHADMP CCOc1ccc(CN(C)C(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481204922 994037804 /nfs/dbraw/zinc/03/78/04/994037804.db2.gz VMJDOVNPLKYXHE-YKSBVNFPSA-N 2 1 409.574 3.544 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000481209756 994042663 /nfs/dbraw/zinc/04/26/63/994042663.db2.gz PGLWTNSVYRICDX-NIJXNBFTSA-N 2 1 411.565 3.699 20 0 HHADMP COCC[NH+]1CCC([NH2+][C@H](C)c2cccc(OCc3cn4ccccc4n3)c2)CC1 ZINC000481425567 994260759 /nfs/dbraw/zinc/26/07/59/994260759.db2.gz RHVKFQRLBVDPQW-LJQANCHMSA-N 2 1 408.546 3.675 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000481443043 994279353 /nfs/dbraw/zinc/27/93/53/994279353.db2.gz XXFGNKUZEIRXPX-SFHVURJKSA-N 2 1 405.608 3.529 20 0 HHADMP O=C([C@H]1CC[N@@H+]1Cc1ccccc1)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000473496780 994342607 /nfs/dbraw/zinc/34/26/07/994342607.db2.gz GTSQLVZJPHWASI-RSXGOPAZSA-N 2 1 403.570 3.776 20 0 HHADMP O=C([C@H]1CC[N@H+]1Cc1ccccc1)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000473496780 994342619 /nfs/dbraw/zinc/34/26/19/994342619.db2.gz GTSQLVZJPHWASI-RSXGOPAZSA-N 2 1 403.570 3.776 20 0 HHADMP O=C([C@H]1CC[NH+]1Cc1ccccc1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473496780 994342622 /nfs/dbraw/zinc/34/26/22/994342622.db2.gz GTSQLVZJPHWASI-RSXGOPAZSA-N 2 1 403.570 3.776 20 0 HHADMP O=C([C@H]1CC[NH+]1Cc1ccccc1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473496780 994342627 /nfs/dbraw/zinc/34/26/27/994342627.db2.gz GTSQLVZJPHWASI-RSXGOPAZSA-N 2 1 403.570 3.776 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000481535557 994366080 /nfs/dbraw/zinc/36/60/80/994366080.db2.gz QGIYVQBRNGCEGK-SFTDATJTSA-N 3 1 411.590 3.699 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000481535557 994366088 /nfs/dbraw/zinc/36/60/88/994366088.db2.gz QGIYVQBRNGCEGK-SFTDATJTSA-N 3 1 411.590 3.699 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000481560173 994394049 /nfs/dbraw/zinc/39/40/49/994394049.db2.gz HHSGLMVDFDGDLO-OFNKIYASSA-N 2 1 422.569 3.964 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000481582647 994423201 /nfs/dbraw/zinc/42/32/01/994423201.db2.gz OPVNFSZLSWTPPX-DCEDVJGZSA-N 2 1 421.585 3.596 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000481582647 994423209 /nfs/dbraw/zinc/42/32/09/994423209.db2.gz OPVNFSZLSWTPPX-DCEDVJGZSA-N 2 1 421.585 3.596 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(c3cc(C)ccc3OC)CCOCC2)[C@@H](C)C1 ZINC000481584489 994426936 /nfs/dbraw/zinc/42/69/36/994426936.db2.gz TVODICDFGYITSG-GMAHTHKFSA-N 2 1 418.622 3.778 20 0 HHADMP C[C@H](c1ccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1)[NH+]1CCOCC1 ZINC000473628434 994508954 /nfs/dbraw/zinc/50/89/54/994508954.db2.gz VQZYBVFEECRIPI-LJQANCHMSA-N 2 1 414.594 3.998 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(C(F)(F)F)c1C ZINC000473822472 994751186 /nfs/dbraw/zinc/75/11/86/994751186.db2.gz OMASPYKQKZKJSF-INIZCTEOSA-N 2 1 400.489 3.894 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)N[C@H]3CC[N@H+]([C@H](C)c4ccccc4)C3)c2)CC1 ZINC000473835363 994768564 /nfs/dbraw/zinc/76/85/64/994768564.db2.gz KMBZMZXDVNAMKI-OFNKIYASSA-N 2 1 421.589 3.786 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)N3CC[N@H+](Cc4ccccc4)C[C@H]3C)c2)CC1 ZINC000473836866 994770773 /nfs/dbraw/zinc/77/07/73/994770773.db2.gz NUMHDJJISPMPOL-OAQYLSRUSA-N 2 1 421.589 3.567 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)N3CC[N@@H+](Cc4ccccc4)C[C@H]3C)c2)CC1 ZINC000473836866 994770784 /nfs/dbraw/zinc/77/07/84/994770784.db2.gz NUMHDJJISPMPOL-OAQYLSRUSA-N 2 1 421.589 3.567 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1(Cc2ccc(F)cc2)CC1 ZINC000473923347 994893707 /nfs/dbraw/zinc/89/37/07/994893707.db2.gz OXFFETUNBSOZRY-UHFFFAOYSA-N 2 1 415.597 3.803 20 0 HHADMP CCN(C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473962915 994944201 /nfs/dbraw/zinc/94/42/01/994944201.db2.gz HDCVTAPICLNPAA-GIWBLDEGSA-N 2 1 400.611 3.974 20 0 HHADMP CCN(C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000473962915 994944212 /nfs/dbraw/zinc/94/42/12/994944212.db2.gz HDCVTAPICLNPAA-GIWBLDEGSA-N 2 1 400.611 3.974 20 0 HHADMP CCN(C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000473962915 994944222 /nfs/dbraw/zinc/94/42/22/994944222.db2.gz HDCVTAPICLNPAA-GIWBLDEGSA-N 2 1 400.611 3.974 20 0 HHADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000474071963 995058591 /nfs/dbraw/zinc/05/85/91/995058591.db2.gz HNUHIAPUOJZSOV-YKSBVNFPSA-N 2 1 421.585 3.905 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)c3ccncc3)cc2)[C@@H](C)C1 ZINC000482124483 995072660 /nfs/dbraw/zinc/07/26/60/995072660.db2.gz YRNKSDRPOSJHSW-CVDCTZTESA-N 2 1 410.562 3.561 20 0 HHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000482139343 995089107 /nfs/dbraw/zinc/08/91/07/995089107.db2.gz CTUAMZIJESNDJW-WMZOPIPTSA-N 2 1 423.985 3.930 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N[C@@H](C)c2cccc3ccccc32)[C@@H](C)C1 ZINC000482141081 995091200 /nfs/dbraw/zinc/09/12/00/995091200.db2.gz XYUQFPXTLRDBMT-SKPFHBQLSA-N 2 1 411.590 3.744 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N[C@@H](C)c2cccc3ccccc32)[C@@H](C)C1 ZINC000482141081 995091213 /nfs/dbraw/zinc/09/12/13/995091213.db2.gz XYUQFPXTLRDBMT-SKPFHBQLSA-N 2 1 411.590 3.744 20 0 HHADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000482153411 995107112 /nfs/dbraw/zinc/10/71/12/995107112.db2.gz UCGFMTJFOKFCHR-NVXWUHKLSA-N 2 1 411.974 3.786 20 0 HHADMP CC[C@@H]([NH2+]CCc1ccc(OCC[NH+]2CCN(C(C)=O)CC2)cc1)c1ccccc1 ZINC000482237373 995220242 /nfs/dbraw/zinc/22/02/42/995220242.db2.gz BOGVJAHPOQXJMJ-RUZDIDTESA-N 2 1 409.574 3.513 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000482339621 995318512 /nfs/dbraw/zinc/31/85/12/995318512.db2.gz VXJKMQRZHAHUAV-VQTJNVASSA-N 2 1 407.624 3.632 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000482339620 995318736 /nfs/dbraw/zinc/31/87/36/995318736.db2.gz VXJKMQRZHAHUAV-UXHICEINSA-N 2 1 407.624 3.632 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C[C@H]1C ZINC000474505785 995465440 /nfs/dbraw/zinc/46/54/40/995465440.db2.gz LADZWZXIEHOSNC-IXTNQLDESA-N 2 1 400.611 3.657 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@H]1C ZINC000474505785 995465446 /nfs/dbraw/zinc/46/54/46/995465446.db2.gz LADZWZXIEHOSNC-IXTNQLDESA-N 2 1 400.611 3.657 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@H]1C ZINC000474505785 995465451 /nfs/dbraw/zinc/46/54/51/995465451.db2.gz LADZWZXIEHOSNC-IXTNQLDESA-N 2 1 400.611 3.657 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000474511677 995472535 /nfs/dbraw/zinc/47/25/35/995472535.db2.gz IKQVCYIRDYRIJT-RMNGQBEXSA-N 2 1 412.622 3.660 20 0 HHADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000482540433 995548451 /nfs/dbraw/zinc/54/84/51/995548451.db2.gz DGZDKLOEBHLDES-ZBFHGGJFSA-N 2 1 403.514 3.579 20 0 HHADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000482541932 995550207 /nfs/dbraw/zinc/55/02/07/995550207.db2.gz HPPUVCWPMSTURQ-WIYYLYMNSA-N 2 1 413.537 3.643 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)C1 ZINC000482570406 995575555 /nfs/dbraw/zinc/57/55/55/995575555.db2.gz WJHQWFXYMZBZQZ-YJBOKZPZSA-N 2 1 416.566 3.504 20 0 HHADMP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c1)CCCO2 ZINC000482618795 995614446 /nfs/dbraw/zinc/61/44/46/995614446.db2.gz IBOYUYBWYKUUIX-GMAHTHKFSA-N 2 1 407.558 3.696 20 0 HHADMP COCCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(Br)cc1 ZINC000482746596 995721577 /nfs/dbraw/zinc/72/15/77/995721577.db2.gz SFTCSPZBPNWAPQ-WOJBJXKFSA-N 2 1 413.400 3.599 20 0 HHADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000474898117 995787420 /nfs/dbraw/zinc/78/74/20/995787420.db2.gz JXEIELCBLFVAML-INIZCTEOSA-N 2 1 406.534 3.707 20 0 HHADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000474898117 995787435 /nfs/dbraw/zinc/78/74/35/995787435.db2.gz JXEIELCBLFVAML-INIZCTEOSA-N 2 1 406.534 3.707 20 0 HHADMP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c2cccc(Br)c21 ZINC000482875075 995809275 /nfs/dbraw/zinc/80/92/75/995809275.db2.gz QJWNEZNXUKTOQZ-KBXCAEBGSA-N 2 1 408.384 3.530 20 0 HHADMP Cc1c([C@@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)nnn1-c1ccccc1 ZINC000482876775 995810060 /nfs/dbraw/zinc/81/00/60/995810060.db2.gz PNMJPNDYPNEYDR-LJQANCHMSA-N 2 1 405.546 3.901 20 0 HHADMP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000482890250 995820761 /nfs/dbraw/zinc/82/07/61/995820761.db2.gz QURAODCOWGFOBH-OAHLLOKOSA-N 2 1 418.582 3.851 20 0 HHADMP Cc1ccc(CC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(Cl)c1 ZINC000474954558 995823676 /nfs/dbraw/zinc/82/36/76/995823676.db2.gz KNMXHRMVJVVNOH-UHFFFAOYSA-N 2 1 406.014 3.846 20 0 HHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cccc(OCC[NH+](C)C)c3)CC2)oc1C ZINC000482900577 995829653 /nfs/dbraw/zinc/82/96/53/995829653.db2.gz MCVYLENEJIUPJC-IBGZPJMESA-N 3 1 414.594 3.795 20 0 HHADMP CC1(C(=O)N2CC[NH+](CCc3cccs3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000482901953 995831161 /nfs/dbraw/zinc/83/11/61/995831161.db2.gz WMCNQAQARZRTFC-UHFFFAOYSA-N 2 1 411.615 3.737 20 0 HHADMP COCCOc1ccc([C@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1 ZINC000482907445 995836873 /nfs/dbraw/zinc/83/68/73/995836873.db2.gz XTLAYKCDWSEUPF-SFHVURJKSA-N 2 1 401.551 3.879 20 0 HHADMP CCN(C(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475032762 995882983 /nfs/dbraw/zinc/88/29/83/995882983.db2.gz XKMHMLQPGPNSNP-GMAHTHKFSA-N 2 1 424.589 3.604 20 0 HHADMP CCN(C(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475032762 995882989 /nfs/dbraw/zinc/88/29/89/995882989.db2.gz XKMHMLQPGPNSNP-GMAHTHKFSA-N 2 1 424.589 3.604 20 0 HHADMP C[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@@H+]1CCc2sccc2C1 ZINC000475050575 995891486 /nfs/dbraw/zinc/89/14/86/995891486.db2.gz BVBGSZNFFXCIJP-KRWDZBQOSA-N 2 1 404.624 3.591 20 0 HHADMP C[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@H+]1CCc2sccc2C1 ZINC000475050575 995891492 /nfs/dbraw/zinc/89/14/92/995891492.db2.gz BVBGSZNFFXCIJP-KRWDZBQOSA-N 2 1 404.624 3.591 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[NH+]1CCCCCC1 ZINC000475148874 995954768 /nfs/dbraw/zinc/95/47/68/995954768.db2.gz MBNJMKLELLXUIH-KRWDZBQOSA-N 2 1 422.411 3.794 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1)c1ccccc1 ZINC000475150869 995955971 /nfs/dbraw/zinc/95/59/71/995955971.db2.gz LFGAKTARLKOILJ-NOZRDPDXSA-N 2 1 405.517 3.924 20 0 HHADMP CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)Nc1cccc(N3CC[NH+](CC4CC4)CC3)c1)C2 ZINC000475176192 995972917 /nfs/dbraw/zinc/97/29/17/995972917.db2.gz ZGOIPRHTTWYVBG-LJQANCHMSA-N 2 1 421.589 3.809 20 0 HHADMP CCN(C(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475184750 995981016 /nfs/dbraw/zinc/98/10/16/995981016.db2.gz UVURZQWQBZVKJD-KIFXHHALSA-N 2 1 412.622 3.945 20 0 HHADMP CCN(C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475184750 995981023 /nfs/dbraw/zinc/98/10/23/995981023.db2.gz UVURZQWQBZVKJD-KIFXHHALSA-N 2 1 412.622 3.945 20 0 HHADMP CCN(C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475184750 995981029 /nfs/dbraw/zinc/98/10/29/995981029.db2.gz UVURZQWQBZVKJD-KIFXHHALSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000483133345 995994796 /nfs/dbraw/zinc/99/47/96/995994796.db2.gz HSJNFYRIZKMHSC-ROUUACIJSA-N 2 1 401.576 3.934 20 0 HHADMP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000483139213 995998231 /nfs/dbraw/zinc/99/82/31/995998231.db2.gz XGHJKNPOJHYBFP-QZTJIDSGSA-N 2 1 401.576 3.934 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)[C@@H](C)C1 ZINC000483140175 995998852 /nfs/dbraw/zinc/99/88/52/995998852.db2.gz ZSOAHWNGNFWTIC-DSKINZAPSA-N 2 1 424.427 3.754 20 0 HHADMP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000483157330 996008126 /nfs/dbraw/zinc/00/81/26/996008126.db2.gz OOPANOAQAUWYCW-RTBURBONSA-N 2 1 415.603 3.813 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000483190448 996028193 /nfs/dbraw/zinc/02/81/93/996028193.db2.gz DBGYXCJMTWALNR-RBUKOAKNSA-N 2 1 420.619 3.554 20 0 HHADMP Cc1cc(-c2noc(C[NH+]3CCC(CC[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)n2)ccc1F ZINC000483200419 996033726 /nfs/dbraw/zinc/03/37/26/996033726.db2.gz LNSCOWPAIJEMOO-QZTJIDSGSA-N 2 1 416.541 3.895 20 0 HHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475270246 996037140 /nfs/dbraw/zinc/03/71/40/996037140.db2.gz PXSVDWBLHWPDRE-SFHVURJKSA-N 2 1 408.498 3.840 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000475278332 996041329 /nfs/dbraw/zinc/04/13/29/996041329.db2.gz IQMZIDCMLRUABE-DEOSSOPVSA-N 3 1 406.618 3.830 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000475278332 996041334 /nfs/dbraw/zinc/04/13/34/996041334.db2.gz IQMZIDCMLRUABE-DEOSSOPVSA-N 2 1 406.618 3.830 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000475278332 996041340 /nfs/dbraw/zinc/04/13/40/996041340.db2.gz IQMZIDCMLRUABE-DEOSSOPVSA-N 2 1 406.618 3.830 20 0 HHADMP CC(C)CC[NH+]1CCC(CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000475280104 996042184 /nfs/dbraw/zinc/04/21/84/996042184.db2.gz NFAATSSRURUGQC-QHCPKHFHSA-N 2 1 400.611 3.660 20 0 HHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000483248156 996059499 /nfs/dbraw/zinc/05/94/99/996059499.db2.gz ZRAUFCUXTSPHRS-OAHLLOKOSA-N 2 1 406.246 3.686 20 0 HHADMP Cc1cc(-c2noc(C[NH+]3CCC(C[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)n2)ccc1F ZINC000483267539 996071590 /nfs/dbraw/zinc/07/15/90/996071590.db2.gz MJTBPUGUFJLANZ-IAGOWNOFSA-N 2 1 402.514 3.505 20 0 HHADMP CS[C@H]1CN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C[C@@H]1[NH+]1CCCC1 ZINC000483387984 996144798 /nfs/dbraw/zinc/14/47/98/996144798.db2.gz CTKMPEZWGCKMDR-ZEQRLZLVSA-N 2 1 423.626 3.970 20 0 HHADMP COc1ccc(COC[C@H](O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000483487170 996212434 /nfs/dbraw/zinc/21/24/34/996212434.db2.gz AQPUNABPFBMSTO-DGWZTRNLSA-N 2 1 424.585 3.559 20 0 HHADMP COc1ccc(COC[C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000483487170 996212441 /nfs/dbraw/zinc/21/24/41/996212441.db2.gz AQPUNABPFBMSTO-DGWZTRNLSA-N 2 1 424.585 3.559 20 0 HHADMP COc1ccc(COC[C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000483487170 996212446 /nfs/dbraw/zinc/21/24/46/996212446.db2.gz AQPUNABPFBMSTO-DGWZTRNLSA-N 2 1 424.585 3.559 20 0 HHADMP COc1cccc(COC[C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000483487561 996213238 /nfs/dbraw/zinc/21/32/38/996213238.db2.gz RBEHGXAJANQRHR-BFLUCZKCSA-N 2 1 424.585 3.559 20 0 HHADMP COc1cccc(COC[C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000483487561 996213243 /nfs/dbraw/zinc/21/32/43/996213243.db2.gz RBEHGXAJANQRHR-BFLUCZKCSA-N 2 1 424.585 3.559 20 0 HHADMP COc1cccc(COC[C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000483487561 996213251 /nfs/dbraw/zinc/21/32/51/996213251.db2.gz RBEHGXAJANQRHR-BFLUCZKCSA-N 2 1 424.585 3.559 20 0 HHADMP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)CC[C@H]21 ZINC000483503275 996222128 /nfs/dbraw/zinc/22/21/28/996222128.db2.gz LUWSWFYFADTUNN-YLJYHZDGSA-N 2 1 409.496 3.613 20 0 HHADMP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)CC[C@H]21 ZINC000483503275 996222134 /nfs/dbraw/zinc/22/21/34/996222134.db2.gz LUWSWFYFADTUNN-YLJYHZDGSA-N 2 1 409.496 3.613 20 0 HHADMP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)CC[C@H]21 ZINC000483503275 996222136 /nfs/dbraw/zinc/22/21/36/996222136.db2.gz LUWSWFYFADTUNN-YLJYHZDGSA-N 2 1 409.496 3.613 20 0 HHADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)CC[C@H]21 ZINC000483503275 996222141 /nfs/dbraw/zinc/22/21/41/996222141.db2.gz LUWSWFYFADTUNN-YLJYHZDGSA-N 2 1 409.496 3.613 20 0 HHADMP O[C@H](COc1cccc2[nH]ccc21)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483508795 996224318 /nfs/dbraw/zinc/22/43/18/996224318.db2.gz BLBSIAVLDMBGLW-HWBMXIPRSA-N 2 1 419.569 3.894 20 0 HHADMP O[C@H](COc1cccc2[nH]ccc21)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483508795 996224323 /nfs/dbraw/zinc/22/43/23/996224323.db2.gz BLBSIAVLDMBGLW-HWBMXIPRSA-N 2 1 419.569 3.894 20 0 HHADMP O[C@H](COc1cccc2[nH]ccc21)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483508795 996224332 /nfs/dbraw/zinc/22/43/32/996224332.db2.gz BLBSIAVLDMBGLW-HWBMXIPRSA-N 2 1 419.569 3.894 20 0 HHADMP O[C@H](COc1cccc2[nH]ccc21)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483508795 996224335 /nfs/dbraw/zinc/22/43/35/996224335.db2.gz BLBSIAVLDMBGLW-HWBMXIPRSA-N 2 1 419.569 3.894 20 0 HHADMP O=C([C@@H]1CC[N@@H+]1Cc1ccccc1)N1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483562980 996252613 /nfs/dbraw/zinc/25/26/13/996252613.db2.gz PTQKLZHQPJNOJX-SDHOMARFSA-N 2 1 403.570 3.774 20 0 HHADMP O=C([C@@H]1CC[N@H+]1Cc1ccccc1)N1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483562980 996252617 /nfs/dbraw/zinc/25/26/17/996252617.db2.gz PTQKLZHQPJNOJX-SDHOMARFSA-N 2 1 403.570 3.774 20 0 HHADMP O=C([C@@H]1CC[NH+]1Cc1ccccc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483562980 996252621 /nfs/dbraw/zinc/25/26/21/996252621.db2.gz PTQKLZHQPJNOJX-SDHOMARFSA-N 2 1 403.570 3.774 20 0 HHADMP O=C([C@@H]1CC[NH+]1Cc1ccccc1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483562980 996252623 /nfs/dbraw/zinc/25/26/23/996252623.db2.gz PTQKLZHQPJNOJX-SDHOMARFSA-N 2 1 403.570 3.774 20 0 HHADMP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(OCc3csc(C)n3)cc2)CC1 ZINC000475622868 996255904 /nfs/dbraw/zinc/25/59/04/996255904.db2.gz ZDBKSFQMIUELMZ-UHFFFAOYSA-N 2 1 410.543 3.756 20 0 HHADMP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483568981 996256597 /nfs/dbraw/zinc/25/65/97/996256597.db2.gz SCXKQQWIOPKJTN-VWNXMTODSA-N 2 1 421.585 3.754 20 0 HHADMP CC[NH+](CC)CCSCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483592894 996273145 /nfs/dbraw/zinc/27/31/45/996273145.db2.gz BDLKPKCEHZNOLK-VXKWHMMOSA-N 2 1 403.636 3.575 20 0 HHADMP COc1cccc(COC[C@@H](O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475736922 996336266 /nfs/dbraw/zinc/33/62/66/996336266.db2.gz XYYUOGGBNRBXBD-AHWVRZQESA-N 2 1 424.585 3.561 20 0 HHADMP COc1cccc(COC[C@@H](O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000475736922 996336272 /nfs/dbraw/zinc/33/62/72/996336272.db2.gz XYYUOGGBNRBXBD-AHWVRZQESA-N 2 1 424.585 3.561 20 0 HHADMP COc1cccc(COC[C@@H](O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000475736922 996336280 /nfs/dbraw/zinc/33/62/80/996336280.db2.gz XYYUOGGBNRBXBD-AHWVRZQESA-N 2 1 424.585 3.561 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000483713051 996344342 /nfs/dbraw/zinc/34/43/42/996344342.db2.gz LZOZGSOGNQPCMX-LQWHRVPQSA-N 2 1 407.624 3.821 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000483713051 996344347 /nfs/dbraw/zinc/34/43/47/996344347.db2.gz LZOZGSOGNQPCMX-LQWHRVPQSA-N 2 1 407.624 3.821 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)C[C@@H]1C ZINC000483714474 996345096 /nfs/dbraw/zinc/34/50/96/996345096.db2.gz WKBBDTNNNNMMIU-ONTIZHBOSA-N 2 1 416.610 3.736 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)C[C@H]1C ZINC000483714475 996345295 /nfs/dbraw/zinc/34/52/95/996345295.db2.gz WKBBDTNNNNMMIU-RZUBCFFCSA-N 2 1 416.610 3.736 20 0 HHADMP C[N@@H+](CCNC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1)Cc1ccc(F)cc1 ZINC000483800087 996395864 /nfs/dbraw/zinc/39/58/64/996395864.db2.gz AZOFQGXDGKRHQG-NQIIRXRSSA-N 2 1 418.582 3.701 20 0 HHADMP C[NH+](CCNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)Cc1ccc(F)cc1 ZINC000483800087 996395869 /nfs/dbraw/zinc/39/58/69/996395869.db2.gz AZOFQGXDGKRHQG-NQIIRXRSSA-N 2 1 418.582 3.701 20 0 HHADMP C[NH+](CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)Cc1ccc(F)cc1 ZINC000483800087 996395873 /nfs/dbraw/zinc/39/58/73/996395873.db2.gz AZOFQGXDGKRHQG-NQIIRXRSSA-N 2 1 418.582 3.701 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000483829223 996413704 /nfs/dbraw/zinc/41/37/04/996413704.db2.gz LGTWISPOUVEMDY-FQEVSTJZSA-N 2 1 410.672 3.549 20 0 HHADMP C[C@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000483887254 996449660 /nfs/dbraw/zinc/44/96/60/996449660.db2.gz RKFPZFAEIJUXIM-ILWGZMRPSA-N 2 1 410.562 3.626 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCOc3ccc(Cl)c(F)c3)CC2)CC1 ZINC000483933542 996476713 /nfs/dbraw/zinc/47/67/13/996476713.db2.gz ULMJZNCQWBOTON-UHFFFAOYSA-N 2 1 411.993 3.986 20 0 HHADMP C[N@H+](CCOc1ccc(Cl)c(F)c1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000483933542 996476717 /nfs/dbraw/zinc/47/67/17/996476717.db2.gz ULMJZNCQWBOTON-UHFFFAOYSA-N 3 1 411.993 3.986 20 0 HHADMP C[N@@H+](CCOc1ccc(Cl)c(F)c1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000483933542 996476721 /nfs/dbraw/zinc/47/67/21/996476721.db2.gz ULMJZNCQWBOTON-UHFFFAOYSA-N 3 1 411.993 3.986 20 0 HHADMP COc1cccc([C@H]2[C@@H](NC(=O)NCc3ccc(C[NH+](C)C)cc3)CC[N@H+]2C2CC2)c1 ZINC000483937587 996478469 /nfs/dbraw/zinc/47/84/69/996478469.db2.gz HJCSACJKJJIDRG-ZEQRLZLVSA-N 2 1 422.573 3.534 20 0 HHADMP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000483979276 996503302 /nfs/dbraw/zinc/50/33/02/996503302.db2.gz PNLFWGVALONTNU-HFMPRLQTSA-N 2 1 420.601 3.643 20 0 HHADMP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000483979276 996503306 /nfs/dbraw/zinc/50/33/06/996503306.db2.gz PNLFWGVALONTNU-HFMPRLQTSA-N 2 1 420.601 3.643 20 0 HHADMP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000483979276 996503311 /nfs/dbraw/zinc/50/33/11/996503311.db2.gz PNLFWGVALONTNU-HFMPRLQTSA-N 2 1 420.601 3.643 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475995986 996525276 /nfs/dbraw/zinc/52/52/76/996525276.db2.gz HPMHGWKIQMPSSG-JOCHJYFZSA-N 2 1 412.622 3.947 20 0 HHADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000476063259 996575678 /nfs/dbraw/zinc/57/56/78/996575678.db2.gz QBPKUQURRDQRLM-QHCPKHFHSA-N 2 1 412.622 3.633 20 0 HHADMP C[C@H]([NH2+]C1(CN[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCOCC1)c1ccccc1 ZINC000484124680 996583772 /nfs/dbraw/zinc/58/37/72/996583772.db2.gz DIDLJAHUZPITEI-OTNCWRBYSA-N 2 1 422.617 3.782 20 0 HHADMP C[C@H]([NH2+]C1(CN[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCOCC1)c1ccccc1 ZINC000484124680 996583776 /nfs/dbraw/zinc/58/37/76/996583776.db2.gz DIDLJAHUZPITEI-OTNCWRBYSA-N 2 1 422.617 3.782 20 0 HHADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000484134063 996589268 /nfs/dbraw/zinc/58/92/68/996589268.db2.gz TYUFHGMHKOCWCS-UWJYYQICSA-N 2 1 408.464 3.915 20 0 HHADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000484134063 996589275 /nfs/dbraw/zinc/58/92/75/996589275.db2.gz TYUFHGMHKOCWCS-UWJYYQICSA-N 2 1 408.464 3.915 20 0 HHADMP O[C@@]1(C[NH2+][C@H]2CCc3cc(Br)ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000484134980 996590552 /nfs/dbraw/zinc/59/05/52/996590552.db2.gz AQRYETVRODBQME-LEWJYISDSA-N 2 1 401.348 3.663 20 0 HHADMP O[C@@]1(C[NH2+][C@H]2CCc3cc(Br)ccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000484134980 996590556 /nfs/dbraw/zinc/59/05/56/996590556.db2.gz AQRYETVRODBQME-LEWJYISDSA-N 2 1 401.348 3.663 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000476564311 997058996 /nfs/dbraw/zinc/05/89/96/997058996.db2.gz KVLZFGBXNZBLPR-AAZCMCCISA-N 2 1 420.601 3.654 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C[C@H]1C ZINC000485016566 997381544 /nfs/dbraw/zinc/38/15/44/997381544.db2.gz KNAWDDVSJRMYEZ-NQIIRXRSSA-N 2 1 404.624 3.614 20 0 HHADMP Cc1cccc(C)c1NC(=O)CCC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000485121319 997504786 /nfs/dbraw/zinc/50/47/86/997504786.db2.gz IQYPOFDLAHSSTL-UHFFFAOYSA-N 2 1 422.617 3.772 20 0 HHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000476979402 997598670 /nfs/dbraw/zinc/59/86/70/997598670.db2.gz FAQVCNWPVMWBDQ-IBGZPJMESA-N 2 1 415.578 3.763 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000476979402 997598674 /nfs/dbraw/zinc/59/86/74/997598674.db2.gz FAQVCNWPVMWBDQ-IBGZPJMESA-N 2 1 415.578 3.763 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)N2CCc3sccc3C2)CC1 ZINC000476982747 997605522 /nfs/dbraw/zinc/60/55/22/997605522.db2.gz JQXDXFSEAFXXAF-IBGZPJMESA-N 2 1 403.636 3.999 20 0 HHADMP C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476995400 997623993 /nfs/dbraw/zinc/62/39/93/997623993.db2.gz NLDXILJEKIETCO-RTBURBONSA-N 2 1 403.636 3.998 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477029982 997662198 /nfs/dbraw/zinc/66/21/98/997662198.db2.gz UVCJNNBNFQYANB-HBGVWJBISA-N 2 1 407.961 3.995 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477029982 997662205 /nfs/dbraw/zinc/66/22/05/997662205.db2.gz UVCJNNBNFQYANB-HBGVWJBISA-N 2 1 407.961 3.995 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477029982 997662210 /nfs/dbraw/zinc/66/22/10/997662210.db2.gz UVCJNNBNFQYANB-HBGVWJBISA-N 2 1 407.961 3.995 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1F ZINC000485304309 997710817 /nfs/dbraw/zinc/71/08/17/997710817.db2.gz QVSVLNBBSBZJPC-HTAPYJJXSA-N 2 1 421.520 3.782 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1F ZINC000485304309 997710836 /nfs/dbraw/zinc/71/08/36/997710836.db2.gz QVSVLNBBSBZJPC-HTAPYJJXSA-N 2 1 421.520 3.782 20 0 HHADMP C[NH+](C)Cc1cc(CNC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)ccc1F ZINC000477065580 997710995 /nfs/dbraw/zinc/71/09/95/997710995.db2.gz XNVVWCCKRHTCDB-QHCPKHFHSA-N 2 1 412.553 3.597 20 0 HHADMP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccccc3C(=O)c3ccccc3)CC[C@H]21 ZINC000485308558 997716404 /nfs/dbraw/zinc/71/64/04/997716404.db2.gz HCEDQVYCPURJGV-NZQKXSOJSA-N 2 1 405.542 3.662 20 0 HHADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccccc3C(=O)c3ccccc3)CC[C@H]21 ZINC000485308558 997716423 /nfs/dbraw/zinc/71/64/23/997716423.db2.gz HCEDQVYCPURJGV-NZQKXSOJSA-N 2 1 405.542 3.662 20 0 HHADMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3ccccc3C(=O)c3ccccc3)CC[C@H]21 ZINC000485308558 997716430 /nfs/dbraw/zinc/71/64/30/997716430.db2.gz HCEDQVYCPURJGV-NZQKXSOJSA-N 2 1 405.542 3.662 20 0 HHADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3C(=O)c3ccccc3)CC[C@H]21 ZINC000485308558 997716439 /nfs/dbraw/zinc/71/64/39/997716439.db2.gz HCEDQVYCPURJGV-NZQKXSOJSA-N 2 1 405.542 3.662 20 0 HHADMP C[NH+]1CCC[C@@H]2C[NH+](Cc3ccc(C[NH+]4CC[C@@H]5[C@H](CCC[N@@H+]5C)C4)cc3)CC[C@H]21 ZINC000485336070 997752081 /nfs/dbraw/zinc/75/20/81/997752081.db2.gz IDFOOGRQCOZFHU-VEYUFSJPSA-N 4 1 410.650 3.519 20 0 HHADMP C[NH+]1CCC[C@@H]2C[NH+](Cc3ccc(C[N@@H+]4CC[C@@H]5[C@H](CCC[NH+]5C)C4)cc3)CC[C@H]21 ZINC000485336070 997752086 /nfs/dbraw/zinc/75/20/86/997752086.db2.gz IDFOOGRQCOZFHU-VEYUFSJPSA-N 4 1 410.650 3.519 20 0 HHADMP C[NH+]1CCC[C@@H]2C[NH+](Cc3ccc(C[N@H+]4CC[C@@H]5[C@H](CCC[NH+]5C)C4)cc3)CC[C@H]21 ZINC000485336070 997752094 /nfs/dbraw/zinc/75/20/94/997752094.db2.gz IDFOOGRQCOZFHU-VEYUFSJPSA-N 4 1 410.650 3.519 20 0 HHADMP Nc1ccc(F)c(NC(=O)CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000485343553 997763263 /nfs/dbraw/zinc/76/32/63/997763263.db2.gz HOICMOQHWZJXQJ-WMZHIEFXSA-N 2 1 410.537 3.723 20 0 HHADMP Nc1ccc(F)c(NC(=O)CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000485343553 997763271 /nfs/dbraw/zinc/76/32/71/997763271.db2.gz HOICMOQHWZJXQJ-WMZHIEFXSA-N 2 1 410.537 3.723 20 0 HHADMP Nc1ccc(F)c(NC(=O)CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000485343553 997763284 /nfs/dbraw/zinc/76/32/84/997763284.db2.gz HOICMOQHWZJXQJ-WMZHIEFXSA-N 2 1 410.537 3.723 20 0 HHADMP CN(C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000477160209 997822237 /nfs/dbraw/zinc/82/22/37/997822237.db2.gz KFMLQIOEJYQAJH-DEOSSOPVSA-N 2 1 412.622 3.599 20 0 HHADMP CCCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000485501373 997957740 /nfs/dbraw/zinc/95/77/40/997957740.db2.gz KUSZFQCVWSVAFU-UPVQGACJSA-N 2 1 412.622 3.947 20 0 HHADMP C[NH+]1CCC(CNC(=O)c2ccccc2NCc2ccco2)(N2CCCCC2)CC1 ZINC000485508509 997965068 /nfs/dbraw/zinc/96/50/68/997965068.db2.gz FGVHKARISCPCEY-UHFFFAOYSA-N 2 1 410.562 3.572 20 0 HHADMP COCc1cccc(OCC2(C[NH+]3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)CC2)c1 ZINC000477369820 998057254 /nfs/dbraw/zinc/05/72/54/998057254.db2.gz YBCZYCREDOLYEV-OYRHEFFESA-N 2 1 416.606 3.813 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000485616732 998064025 /nfs/dbraw/zinc/06/40/25/998064025.db2.gz SCOYMBMQABTCGM-SMIHKQSGSA-N 2 1 412.622 3.803 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000485616732 998064032 /nfs/dbraw/zinc/06/40/32/998064032.db2.gz SCOYMBMQABTCGM-SMIHKQSGSA-N 2 1 412.622 3.803 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000485616732 998064040 /nfs/dbraw/zinc/06/40/40/998064040.db2.gz SCOYMBMQABTCGM-SMIHKQSGSA-N 2 1 412.622 3.803 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)C[N@@H+](C)[C@H]1CCSC1)c1ccc(C(F)(F)F)cc1 ZINC000485965948 998407275 /nfs/dbraw/zinc/40/72/75/998407275.db2.gz IIXFJYRMWRPNPJ-ROUUACIJSA-N 2 1 417.541 3.642 20 0 HHADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000486180869 998624549 /nfs/dbraw/zinc/62/45/49/998624549.db2.gz TYUGTNUMRYDRMD-CRAIPNDOSA-N 2 1 405.493 3.835 20 0 HHADMP OC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)Cc1ccc(F)c(F)c1 ZINC000477941265 998671027 /nfs/dbraw/zinc/67/10/27/998671027.db2.gz RYUAGEBRTXEKTE-SEDAZVQISA-N 2 1 400.513 3.616 20 0 HHADMP O=C(NC1CC([NH+]2CCCCC2)C1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000477955244 998680120 /nfs/dbraw/zinc/68/01/20/998680120.db2.gz ONNRXBVCRBWUHK-GRERDSQWSA-N 2 1 409.496 3.574 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000486311257 998706708 /nfs/dbraw/zinc/70/67/08/998706708.db2.gz MXZYMPPCRPZNTH-FGZHOGPDSA-N 2 1 422.564 3.908 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000486311257 998706711 /nfs/dbraw/zinc/70/67/11/998706711.db2.gz MXZYMPPCRPZNTH-FGZHOGPDSA-N 2 1 422.564 3.908 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cccs1 ZINC000478031561 998723984 /nfs/dbraw/zinc/72/39/84/998723984.db2.gz VFOXQDKYZXCQKS-PMACEKPBSA-N 2 1 400.592 3.561 20 0 HHADMP CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(C[NH+](C)C)c(Cl)c3)cc2)CC1 ZINC000478048527 998734585 /nfs/dbraw/zinc/73/45/85/998734585.db2.gz SAHQNPDRRTVPJR-UHFFFAOYSA-N 2 1 400.954 3.796 20 0 HHADMP C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)c3ccccc3C[NH+](C)C)cc2)C[C@H]1C ZINC000486823116 998956841 /nfs/dbraw/zinc/95/68/41/998956841.db2.gz KRWUMNBIVAJNOM-OYRHEFFESA-N 2 1 423.601 3.687 20 0 HHADMP Cc1cnccc1OC1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000487224340 999103011 /nfs/dbraw/zinc/10/30/11/999103011.db2.gz NVWJUKQOSMIADY-JOCHJYFZSA-N 2 1 411.521 3.954 20 0 HHADMP Cc1cnccc1OC1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000487224340 999103013 /nfs/dbraw/zinc/10/30/13/999103013.db2.gz NVWJUKQOSMIADY-JOCHJYFZSA-N 2 1 411.521 3.954 20 0 HHADMP CC(C)C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000479051467 999267994 /nfs/dbraw/zinc/26/79/94/999267994.db2.gz AALLUXFMDWSNGH-HKUYNNGSSA-N 2 1 410.400 3.713 20 0 HHADMP CC(C)C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000479051475 999268155 /nfs/dbraw/zinc/26/81/55/999268155.db2.gz AALLUXFMDWSNGH-MJGOQNOKSA-N 2 1 410.400 3.713 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000479067634 999278425 /nfs/dbraw/zinc/27/84/25/999278425.db2.gz MILWWLZRDDEKMC-ROUUACIJSA-N 2 1 421.632 3.575 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000479067634 999278429 /nfs/dbraw/zinc/27/84/29/999278429.db2.gz MILWWLZRDDEKMC-ROUUACIJSA-N 2 1 421.632 3.575 20 0 HHADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000487881068 999302736 /nfs/dbraw/zinc/30/27/36/999302736.db2.gz NPQRPBQPGIKRIV-VOQZNFBZSA-N 2 1 422.564 3.766 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000487881068 999302739 /nfs/dbraw/zinc/30/27/39/999302739.db2.gz NPQRPBQPGIKRIV-VOQZNFBZSA-N 2 1 422.564 3.766 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000487881068 999302744 /nfs/dbraw/zinc/30/27/44/999302744.db2.gz NPQRPBQPGIKRIV-VOQZNFBZSA-N 2 1 422.564 3.766 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000487881068 999302747 /nfs/dbraw/zinc/30/27/47/999302747.db2.gz NPQRPBQPGIKRIV-VOQZNFBZSA-N 2 1 422.564 3.766 20 0 HHADMP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000487966744 999330590 /nfs/dbraw/zinc/33/05/90/999330590.db2.gz JEGHVNQIPPRZPB-HBGVWJBISA-N 2 1 408.537 3.520 20 0 HHADMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000487966744 999330592 /nfs/dbraw/zinc/33/05/92/999330592.db2.gz JEGHVNQIPPRZPB-HBGVWJBISA-N 2 1 408.537 3.520 20 0 HHADMP CCC[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000487966744 999330595 /nfs/dbraw/zinc/33/05/95/999330595.db2.gz JEGHVNQIPPRZPB-HBGVWJBISA-N 2 1 408.537 3.520 20 0 HHADMP CCC[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000487966744 999330599 /nfs/dbraw/zinc/33/05/99/999330599.db2.gz JEGHVNQIPPRZPB-HBGVWJBISA-N 2 1 408.537 3.520 20 0 HHADMP C[C@H](NC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488009646 999346584 /nfs/dbraw/zinc/34/65/84/999346584.db2.gz URLSBTFVSTVFCE-GHTZIAJQSA-N 2 1 412.553 3.597 20 0 HHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479331526 999389236 /nfs/dbraw/zinc/38/92/36/999389236.db2.gz RBPBMNUOOWPIQX-KGLIPLIRSA-N 2 1 422.422 3.946 20 0 HHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCc4cc(OC)c(OC)cc43)cc2)CC1 ZINC000479340011 999393488 /nfs/dbraw/zinc/39/34/88/999393488.db2.gz YWKFWJFTGAOUQC-HSZRJFAPSA-N 2 1 409.574 3.618 20 0 HHADMP COc1c(Br)cccc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000479446906 999421705 /nfs/dbraw/zinc/42/17/05/999421705.db2.gz OYFUPZBOMWLIIB-IBGZPJMESA-N 2 1 419.363 3.704 20 0 HHADMP C[C@@H](NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000488325056 999441126 /nfs/dbraw/zinc/44/11/26/999441126.db2.gz OSCIJGCHBCDGSA-MRXNPFEDSA-N 2 1 413.484 3.570 20 0 HHADMP CC(C)CC[NH+]1CCC(CNC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000488545791 999523521 /nfs/dbraw/zinc/52/35/21/999523521.db2.gz JTCHPCJADAPCJY-ZJSXRUAMSA-N 2 1 414.638 3.954 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000488566552 999530238 /nfs/dbraw/zinc/53/02/38/999530238.db2.gz ZJOXDPFKVYMJKG-VXKWHMMOSA-N 2 1 422.564 3.910 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000488566552 999530243 /nfs/dbraw/zinc/53/02/43/999530243.db2.gz ZJOXDPFKVYMJKG-VXKWHMMOSA-N 2 1 422.564 3.910 20 0 HHADMP C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488596049 999540222 /nfs/dbraw/zinc/54/02/22/999540222.db2.gz NAFKMLCWVLDGOI-SQJMNOBHSA-N 2 1 420.601 3.992 20 0 HHADMP CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000488609063 999544487 /nfs/dbraw/zinc/54/44/87/999544487.db2.gz HHRRAJGXNURSML-FQEVSTJZSA-N 2 1 409.574 3.686 20 0 HHADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H](C)C1 ZINC000488963853 999659063 /nfs/dbraw/zinc/65/90/63/999659063.db2.gz XGBGACJKKHJVPQ-QTQNFUOKSA-N 2 1 410.606 3.554 20 0 HHADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H](C)C1 ZINC000488963853 999659064 /nfs/dbraw/zinc/65/90/64/999659064.db2.gz XGBGACJKKHJVPQ-QTQNFUOKSA-N 2 1 410.606 3.554 20 0 HHADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H](C)C1 ZINC000488963853 999659065 /nfs/dbraw/zinc/65/90/65/999659065.db2.gz XGBGACJKKHJVPQ-QTQNFUOKSA-N 2 1 410.606 3.554 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc(N2CCOCC2)c1 ZINC000480238137 999753342 /nfs/dbraw/zinc/75/33/42/999753342.db2.gz ALWMXJYKIKIAPF-BHIFYINESA-N 2 1 423.601 3.983 20 0 HHADMP C[C@@H]1CN(C(=O)NC[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)CC[N@H+](C2CCC2)C1 ZINC000489403564 999759965 /nfs/dbraw/zinc/75/99/65/999759965.db2.gz ODRMWYCEYCAZCT-UEXGIBASSA-N 2 1 404.624 3.647 20 0 HHADMP C[C@@H]1CN(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC[NH+](C2CCC2)C1 ZINC000489403564 999759966 /nfs/dbraw/zinc/75/99/66/999759966.db2.gz ODRMWYCEYCAZCT-UEXGIBASSA-N 2 1 404.624 3.647 20 0 HHADMP C[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC[NH+](C2CCC2)C1 ZINC000489403564 999759967 /nfs/dbraw/zinc/75/99/67/999759967.db2.gz ODRMWYCEYCAZCT-UEXGIBASSA-N 2 1 404.624 3.647 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000489445083 999769049 /nfs/dbraw/zinc/76/90/49/999769049.db2.gz LFSJCEPQUHZTHX-RDPSFJRHSA-N 2 1 412.622 3.993 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000480315484 999769570 /nfs/dbraw/zinc/76/95/70/999769570.db2.gz PKDNBYJBSQMFKP-BWKNWUBXSA-N 2 1 420.601 3.590 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000480315484 999769572 /nfs/dbraw/zinc/76/95/72/999769572.db2.gz PKDNBYJBSQMFKP-BWKNWUBXSA-N 2 1 420.601 3.590 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N(Cc3ccccc3)C3CC[NH+](C)CC3)CC2)[nH+]1 ZINC000489561847 999792653 /nfs/dbraw/zinc/79/26/53/999792653.db2.gz NZIXWYONGNXPRN-UHFFFAOYSA-N 2 1 421.589 3.665 20 0 HHADMP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000489609371 999802055 /nfs/dbraw/zinc/80/20/55/999802055.db2.gz IYXITNTZEONSNT-RUZDIDTESA-N 2 1 420.601 3.957 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)cc2)C[C@H](C)O1 ZINC000480522160 999817729 /nfs/dbraw/zinc/81/77/29/999817729.db2.gz CJWCQVMUGOQRDX-ZRCGQRJVSA-N 2 1 413.606 3.567 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)cc2)C[C@H](C)O1 ZINC000480522160 999817732 /nfs/dbraw/zinc/81/77/32/999817732.db2.gz CJWCQVMUGOQRDX-ZRCGQRJVSA-N 2 1 413.606 3.567 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)cc2)C[C@H](C)O1 ZINC000480522160 999817734 /nfs/dbraw/zinc/81/77/34/999817734.db2.gz CJWCQVMUGOQRDX-ZRCGQRJVSA-N 2 1 413.606 3.567 20 0 HHADMP c1c[nH]c([C@H]2CCC[NH+](Cc3ccccc3C[N@H+]3CCC[C@H](c4ncc[nH]4)C3)C2)n1 ZINC000489747035 999829950 /nfs/dbraw/zinc/82/99/50/999829950.db2.gz VUSPEDKFSGNWJJ-VXKWHMMOSA-N 2 1 404.562 3.892 20 0 HHADMP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000480607162 999839307 /nfs/dbraw/zinc/83/93/07/999839307.db2.gz DLGGHEJAYVGERY-VQTJNVASSA-N 2 1 409.640 3.880 20 0 HHADMP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000480607158 999839400 /nfs/dbraw/zinc/83/94/00/999839400.db2.gz DLGGHEJAYVGERY-PMACEKPBSA-N 2 1 409.640 3.880 20 0 HHADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000480624501 999844118 /nfs/dbraw/zinc/84/41/18/999844118.db2.gz YZXHRBDPXMFTTH-MOPGFXCFSA-N 2 1 415.603 3.677 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000489822704 999844340 /nfs/dbraw/zinc/84/43/40/999844340.db2.gz ALPXHNMMCNAVAI-FUPPJEDESA-N 2 1 400.611 3.708 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000489822704 999844342 /nfs/dbraw/zinc/84/43/42/999844342.db2.gz ALPXHNMMCNAVAI-FUPPJEDESA-N 2 1 400.611 3.708 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000489822704 999844344 /nfs/dbraw/zinc/84/43/44/999844344.db2.gz ALPXHNMMCNAVAI-FUPPJEDESA-N 2 1 400.611 3.708 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000489829799 999845350 /nfs/dbraw/zinc/84/53/50/999845350.db2.gz JNTYSJVFDCNEQG-GMAHTHKFSA-N 2 1 400.611 3.708 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000489834207 999846253 /nfs/dbraw/zinc/84/62/53/999846253.db2.gz AYMCVJKTLVZPHO-TUNNFDKTSA-N 2 1 422.976 3.740 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000489834207 999846257 /nfs/dbraw/zinc/84/62/57/999846257.db2.gz AYMCVJKTLVZPHO-TUNNFDKTSA-N 2 1 422.976 3.740 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000489834207 999846259 /nfs/dbraw/zinc/84/62/59/999846259.db2.gz AYMCVJKTLVZPHO-TUNNFDKTSA-N 2 1 422.976 3.740 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000489834207 999846261 /nfs/dbraw/zinc/84/62/61/999846261.db2.gz AYMCVJKTLVZPHO-TUNNFDKTSA-N 2 1 422.976 3.740 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000489836427 999846643 /nfs/dbraw/zinc/84/66/43/999846643.db2.gz QLBGXLQZIRUHFP-XPNTWCBSSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000489836427 999846645 /nfs/dbraw/zinc/84/66/45/999846645.db2.gz QLBGXLQZIRUHFP-XPNTWCBSSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000489836427 999846648 /nfs/dbraw/zinc/84/66/48/999846648.db2.gz QLBGXLQZIRUHFP-XPNTWCBSSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000489836425 999846830 /nfs/dbraw/zinc/84/68/30/999846830.db2.gz QLBGXLQZIRUHFP-MQSCRBSSSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000489836425 999846833 /nfs/dbraw/zinc/84/68/33/999846833.db2.gz QLBGXLQZIRUHFP-MQSCRBSSSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000489836425 999846836 /nfs/dbraw/zinc/84/68/36/999846836.db2.gz QLBGXLQZIRUHFP-MQSCRBSSSA-N 2 1 400.611 3.851 20 0 HHADMP C[N@@H+](CCCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000489861274 999850471 /nfs/dbraw/zinc/85/04/71/999850471.db2.gz DXYAXBAYXAACOL-UHFFFAOYSA-N 2 1 408.590 3.815 20 0 HHADMP C[N@@H+](CCCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000489910566 999860473 /nfs/dbraw/zinc/86/04/73/999860473.db2.gz JABOUVQFQVNERW-UHFFFAOYSA-N 2 1 400.611 3.947 20 0 HHADMP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCOCC1)c1ccccc1 ZINC000480712193 999865507 /nfs/dbraw/zinc/86/55/07/999865507.db2.gz ILXLZZPFFLMDRH-UNMCSNQZSA-N 2 1 413.606 3.657 20 0 HHADMP Brc1cnn(CCC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000490355642 999943528 /nfs/dbraw/zinc/94/35/28/999943528.db2.gz QSBLKVBTSRJBBF-YZGWKJHDSA-N 2 1 403.368 3.536 20 0 HHADMP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490755200 1000001277 /nfs/dbraw/zinc/00/12/77/1000001277.db2.gz GIRMEDFCBXONJJ-KWOQKUFVSA-N 2 1 409.549 3.817 20 0 HHADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490755200 1000001278 /nfs/dbraw/zinc/00/12/78/1000001278.db2.gz GIRMEDFCBXONJJ-KWOQKUFVSA-N 2 1 409.549 3.817 20 0 HHADMP C[C@H](NC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490755200 1000001281 /nfs/dbraw/zinc/00/12/81/1000001281.db2.gz GIRMEDFCBXONJJ-KWOQKUFVSA-N 2 1 409.549 3.817 20 0 HHADMP C[C@H](NC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490755200 1000001284 /nfs/dbraw/zinc/00/12/84/1000001284.db2.gz GIRMEDFCBXONJJ-KWOQKUFVSA-N 2 1 409.549 3.817 20 0 HHADMP COc1ccccc1-c1ncc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000490776213 1000004692 /nfs/dbraw/zinc/00/46/92/1000004692.db2.gz YLBARXHKDCHWLZ-OAQYLSRUSA-N 2 1 402.542 3.806 20 0 HHADMP COc1ccccc1-c1ncc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000490776213 1000004694 /nfs/dbraw/zinc/00/46/94/1000004694.db2.gz YLBARXHKDCHWLZ-OAQYLSRUSA-N 2 1 402.542 3.806 20 0 HHADMP C[C@@H](NC(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490825834 1000012543 /nfs/dbraw/zinc/01/25/43/1000012543.db2.gz LCPYLWVTKCOFLL-TZIWHRDSSA-N 2 1 410.562 3.659 20 0 HHADMP COc1ccc([C@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)c2ccccc2)cc1 ZINC000491059235 1000040654 /nfs/dbraw/zinc/04/06/54/1000040654.db2.gz KGWBBTFARWNBQA-RUZDIDTESA-N 2 1 417.553 3.866 20 0 HHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1 ZINC000491322668 1000065123 /nfs/dbraw/zinc/06/51/23/1000065123.db2.gz MBUQRKSMZJUWPH-LJQANCHMSA-N 2 1 424.593 3.846 20 0 HHADMP C[N@@H+](CCNC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000491838572 1000097095 /nfs/dbraw/zinc/09/70/95/1000097095.db2.gz SUUHNBGPONWACF-UHFFFAOYSA-N 2 1 413.393 3.695 20 0 HHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[NH+](C)C ZINC000492515521 1000130461 /nfs/dbraw/zinc/13/04/61/1000130461.db2.gz NYFFMPQZMVMJKG-VTZPFEBOSA-N 2 1 422.617 3.850 20 0 HHADMP CN(CC[N@@H+](C)CCSc1ccnc2cc(Cl)ccc21)C1CC[NH+](C)CC1 ZINC000492913174 1000149454 /nfs/dbraw/zinc/14/94/54/1000149454.db2.gz SASRHVRPTYGYRD-UHFFFAOYSA-N 2 1 407.027 3.938 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000493164298 1000160782 /nfs/dbraw/zinc/16/07/82/1000160782.db2.gz ZJCGNXQKXICFND-IBGZPJMESA-N 2 1 411.456 3.772 20 0 HHADMP CCC[N@H+](Cc1nc2oc(C)c(C)c2c(N)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000493713691 1000187831 /nfs/dbraw/zinc/18/78/31/1000187831.db2.gz XJGASLYWNHWGHP-UHFFFAOYSA-N 2 1 423.565 3.710 20 0 HHADMP CCC[N@@H+](Cc1nc2oc(C)c(C)c2c(N)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000493713691 1000187835 /nfs/dbraw/zinc/18/78/35/1000187835.db2.gz XJGASLYWNHWGHP-UHFFFAOYSA-N 2 1 423.565 3.710 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)cc1)C1CC1 ZINC000504557430 1000268630 /nfs/dbraw/zinc/26/86/30/1000268630.db2.gz ZKLCAPFAGNZHDH-UHFFFAOYSA-N 2 1 420.601 3.845 20 0 HHADMP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000494250838 1000389202 /nfs/dbraw/zinc/38/92/02/1000389202.db2.gz LQMVISWFJYTZMG-QGZVFWFLSA-N 2 1 411.456 3.599 20 0 HHADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000494250838 1000389209 /nfs/dbraw/zinc/38/92/09/1000389209.db2.gz LQMVISWFJYTZMG-QGZVFWFLSA-N 2 1 411.456 3.599 20 0 HHADMP C[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@@H+]1CCc2sccc2C1 ZINC000504976216 1000482782 /nfs/dbraw/zinc/48/27/82/1000482782.db2.gz CAQSTZFJWVVRLF-GOSISDBHSA-N 2 1 412.603 3.590 20 0 HHADMP C[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@H+]1CCc2sccc2C1 ZINC000504976216 1000482788 /nfs/dbraw/zinc/48/27/88/1000482788.db2.gz CAQSTZFJWVVRLF-GOSISDBHSA-N 2 1 412.603 3.590 20 0 HHADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000504988371 1000491327 /nfs/dbraw/zinc/49/13/27/1000491327.db2.gz KXKFPCPXCUOXIX-SFHVURJKSA-N 2 1 414.619 3.836 20 0 HHADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000504988371 1000491332 /nfs/dbraw/zinc/49/13/32/1000491332.db2.gz KXKFPCPXCUOXIX-SFHVURJKSA-N 2 1 414.619 3.836 20 0 HHADMP CC[N@@H+](CCNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)CCC(F)(F)F ZINC000495008516 1000776542 /nfs/dbraw/zinc/77/65/42/1000776542.db2.gz YFOYPBFXOFODSK-QGZVFWFLSA-N 2 1 414.516 3.786 20 0 HHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C3CCC(c4nc(C)no4)CC3)CC2)cs1 ZINC000495054580 1000802425 /nfs/dbraw/zinc/80/24/25/1000802425.db2.gz VEMGUQOUUOHXQV-UHFFFAOYSA-N 2 1 403.596 3.925 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H](Cc2ccccc2Cl)c2cccs2)C1 ZINC000495081769 1000818227 /nfs/dbraw/zinc/81/82/27/1000818227.db2.gz VLKTXZDMNGPQOB-MJGOQNOKSA-N 2 1 405.995 3.862 20 0 HHADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000505691900 1000978376 /nfs/dbraw/zinc/97/83/76/1000978376.db2.gz MGWAFHYKOZCLMU-RPWUZVMVSA-N 2 1 418.585 3.730 20 0 HHADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000505691900 1000978381 /nfs/dbraw/zinc/97/83/81/1000978381.db2.gz MGWAFHYKOZCLMU-RPWUZVMVSA-N 2 1 418.585 3.730 20 0 HHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000505912451 1001096384 /nfs/dbraw/zinc/09/63/84/1001096384.db2.gz MSWMTZFTKCWDDJ-FUPPJEDESA-N 2 1 415.647 3.890 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000505912451 1001096389 /nfs/dbraw/zinc/09/63/89/1001096389.db2.gz MSWMTZFTKCWDDJ-FUPPJEDESA-N 2 1 415.647 3.890 20 0 HHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000505925975 1001106145 /nfs/dbraw/zinc/10/61/45/1001106145.db2.gz ZHHZAXLRKZIOPI-UNMCSNQZSA-N 2 1 415.647 3.962 20 0 HHADMP O=C(NCC[N@@H+]1CCc2sccc2C1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000506268815 1001319063 /nfs/dbraw/zinc/31/90/63/1001319063.db2.gz OJGKXMXHYOBQDY-UHFFFAOYSA-N 2 1 412.603 3.956 20 0 HHADMP O=C(NCC[N@H+]1CCc2sccc2C1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000506268815 1001319072 /nfs/dbraw/zinc/31/90/72/1001319072.db2.gz OJGKXMXHYOBQDY-UHFFFAOYSA-N 2 1 412.603 3.956 20 0 HHADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000506283543 1001328103 /nfs/dbraw/zinc/32/81/03/1001328103.db2.gz SEKCGIMUULCYJX-YKSBVNFPSA-N 2 1 422.573 3.518 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000506283543 1001328109 /nfs/dbraw/zinc/32/81/09/1001328109.db2.gz SEKCGIMUULCYJX-YKSBVNFPSA-N 2 1 422.573 3.518 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497564899 1001437735 /nfs/dbraw/zinc/43/77/35/1001437735.db2.gz UBWZKODVVZXVPA-QHCPKHFHSA-N 2 1 412.622 3.805 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000506515687 1001447770 /nfs/dbraw/zinc/44/77/70/1001447770.db2.gz LQOPXSBDBAYFJF-NRFANRHFSA-N 2 1 407.549 3.772 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000497722779 1001495753 /nfs/dbraw/zinc/49/57/53/1001495753.db2.gz ZHTQWNPFNPWPKF-NRFANRHFSA-N 2 1 400.611 3.982 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000506934168 1001601844 /nfs/dbraw/zinc/60/18/44/1001601844.db2.gz OIAKFMGUTURZTL-RTWAWAEBSA-N 2 1 422.683 3.644 20 0 HHADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)NC[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000498023471 1001609913 /nfs/dbraw/zinc/60/99/13/1001609913.db2.gz BNILXQHGGMALNG-KNQAVFIVSA-N 2 1 412.603 3.657 20 0 HHADMP C[NH+](Cc1ccccc1)C1CN(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000498023471 1001609919 /nfs/dbraw/zinc/60/99/19/1001609919.db2.gz BNILXQHGGMALNG-KNQAVFIVSA-N 2 1 412.603 3.657 20 0 HHADMP C[NH+](Cc1ccccc1)C1CN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000498023471 1001609922 /nfs/dbraw/zinc/60/99/22/1001609922.db2.gz BNILXQHGGMALNG-KNQAVFIVSA-N 2 1 412.603 3.657 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498121029 1001650014 /nfs/dbraw/zinc/65/00/14/1001650014.db2.gz LPOHJCXFGDQCNV-SFTDATJTSA-N 2 1 408.537 3.664 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498121029 1001650018 /nfs/dbraw/zinc/65/00/18/1001650018.db2.gz LPOHJCXFGDQCNV-SFTDATJTSA-N 2 1 408.537 3.664 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000498121467 1001650601 /nfs/dbraw/zinc/65/06/01/1001650601.db2.gz QPFGRPDJOSBKRD-LSWJPFSZSA-N 2 1 424.589 3.508 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000498121467 1001650606 /nfs/dbraw/zinc/65/06/06/1001650606.db2.gz QPFGRPDJOSBKRD-LSWJPFSZSA-N 2 1 424.589 3.508 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000506952214 1001725062 /nfs/dbraw/zinc/72/50/62/1001725062.db2.gz NUKVCIOAFQTVDI-YADHBBJMSA-N 2 1 412.622 3.731 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000506952214 1001725069 /nfs/dbraw/zinc/72/50/69/1001725069.db2.gz NUKVCIOAFQTVDI-YADHBBJMSA-N 2 1 412.622 3.731 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000506952214 1001725073 /nfs/dbraw/zinc/72/50/73/1001725073.db2.gz NUKVCIOAFQTVDI-YADHBBJMSA-N 2 1 412.622 3.731 20 0 HHADMP COc1cccc([C@H](CNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)[NH+](C)C)c1 ZINC000506953763 1001726684 /nfs/dbraw/zinc/72/66/84/1001726684.db2.gz QEJJKUYJBQYHSO-MZKRTTBSSA-N 2 1 416.610 3.594 20 0 HHADMP Cc1ccccc1[C@H]1CC[N@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000507204343 1001892563 /nfs/dbraw/zinc/89/25/63/1001892563.db2.gz KOXRIQXRZFPBCN-GGAORHGYSA-N 2 1 405.586 3.954 20 0 HHADMP O=C(CN1CCC(OC2CCCC2)CC1)Nc1cccc(CN2CCSCC2)c1 ZINC000507357760 1002020510 /nfs/dbraw/zinc/02/05/10/1002020510.db2.gz JLAYQPKMGZYTOA-UHFFFAOYSA-N 2 1 417.619 3.598 20 0 HHADMP CC[N@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000507379039 1002035230 /nfs/dbraw/zinc/03/52/30/1002035230.db2.gz LOHPFMRYUFDJPX-NJDAHSKKSA-N 2 1 400.611 3.696 20 0 HHADMP CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000498665378 1002059216 /nfs/dbraw/zinc/05/92/16/1002059216.db2.gz YKDNKNOVOYUWFV-NHCUHLMSSA-N 2 1 408.537 3.661 20 0 HHADMP CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000498665378 1002059226 /nfs/dbraw/zinc/05/92/26/1002059226.db2.gz YKDNKNOVOYUWFV-NHCUHLMSSA-N 2 1 408.537 3.661 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)[C@@H]1c1ccc(F)c(F)c1 ZINC000498670225 1002063098 /nfs/dbraw/zinc/06/30/98/1002063098.db2.gz IKCVJOZLQAGILH-MNAPGUCWSA-N 2 1 420.548 3.614 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)[C@@H]1c1ccc(F)c(F)c1 ZINC000498670225 1002063105 /nfs/dbraw/zinc/06/31/05/1002063105.db2.gz IKCVJOZLQAGILH-MNAPGUCWSA-N 2 1 420.548 3.614 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)[C@@H]1c1ccc(F)c(F)c1 ZINC000498670225 1002063116 /nfs/dbraw/zinc/06/31/16/1002063116.db2.gz IKCVJOZLQAGILH-MNAPGUCWSA-N 2 1 420.548 3.614 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)[C@@H]1c1ccc(F)c(F)c1 ZINC000498670225 1002063126 /nfs/dbraw/zinc/06/31/26/1002063126.db2.gz IKCVJOZLQAGILH-MNAPGUCWSA-N 2 1 420.548 3.614 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498680030 1002070414 /nfs/dbraw/zinc/07/04/14/1002070414.db2.gz INPPXDCFDHSCNR-JKMAKKBCSA-N 2 1 408.537 3.613 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498680030 1002070423 /nfs/dbraw/zinc/07/04/23/1002070423.db2.gz INPPXDCFDHSCNR-JKMAKKBCSA-N 2 1 408.537 3.613 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498680030 1002070434 /nfs/dbraw/zinc/07/04/34/1002070434.db2.gz INPPXDCFDHSCNR-JKMAKKBCSA-N 2 1 408.537 3.613 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498680030 1002070443 /nfs/dbraw/zinc/07/04/43/1002070443.db2.gz INPPXDCFDHSCNR-JKMAKKBCSA-N 2 1 408.537 3.613 20 0 HHADMP C[C@@H](NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498706345 1002090314 /nfs/dbraw/zinc/09/03/14/1002090314.db2.gz FYAOSHLRGVIBLD-IFMALSPDSA-N 2 1 424.589 3.796 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000498717167 1002098469 /nfs/dbraw/zinc/09/84/69/1002098469.db2.gz LVTKGWOWBFAOCL-IRLDBZIGSA-N 2 1 412.578 3.572 20 0 HHADMP O=C1CCCN1C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000507521423 1002130383 /nfs/dbraw/zinc/13/03/83/1002130383.db2.gz YAJAJOSPJRTAMI-VPBXCIAMSA-N 2 1 403.570 3.850 20 0 HHADMP O=C1CCCN1C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000507521423 1002130375 /nfs/dbraw/zinc/13/03/75/1002130375.db2.gz YAJAJOSPJRTAMI-VPBXCIAMSA-N 2 1 403.570 3.850 20 0 HHADMP O=C(CCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)N1Cc2ccccc2C1 ZINC000507522682 1002131242 /nfs/dbraw/zinc/13/12/42/1002131242.db2.gz BNCIZNLPVSJOMA-UBFVSLLYSA-N 2 1 403.570 3.809 20 0 HHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H](O)CO[C@@H]3CCCc4ccccc43)C2)CC1 ZINC000498833694 1002219890 /nfs/dbraw/zinc/21/98/90/1002219890.db2.gz MDHRIMQITWRXLA-UMXIMWEHSA-N 2 1 400.607 3.885 20 0 HHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](O)CO[C@@H]3CCCc4ccccc43)C2)CC1 ZINC000498833694 1002219892 /nfs/dbraw/zinc/21/98/92/1002219892.db2.gz MDHRIMQITWRXLA-UMXIMWEHSA-N 2 1 400.607 3.885 20 0 HHADMP Fc1ccc(-c2nnc3n2C[C@@H]([NH2+]C2CC[NH+](CCc4ccccc4)CC2)CC3)cc1 ZINC000507619470 1002224130 /nfs/dbraw/zinc/22/41/30/1002224130.db2.gz KHIXMGQKDPFYFJ-QHCPKHFHSA-N 2 1 419.548 3.696 20 0 HHADMP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC000507691078 1002283014 /nfs/dbraw/zinc/28/30/14/1002283014.db2.gz YNDHSWZYMACYMP-OAQYLSRUSA-N 2 1 417.500 3.723 20 0 HHADMP COc1ccccc1C(C)(C)[NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000507833876 1002376035 /nfs/dbraw/zinc/37/60/35/1002376035.db2.gz POUSNZTZYFBKIN-UHFFFAOYSA-N 2 1 409.574 3.563 20 0 HHADMP COc1ccccc1C(C)(C)[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000507833876 1002376045 /nfs/dbraw/zinc/37/60/45/1002376045.db2.gz POUSNZTZYFBKIN-UHFFFAOYSA-N 2 1 409.574 3.563 20 0 HHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2cccc(CN4CCOCC4)c2)C3)cc1 ZINC000499149881 1002533290 /nfs/dbraw/zinc/53/32/90/1002533290.db2.gz VFSVZNIQSLTINP-PBROBROCSA-N 2 1 405.586 3.804 20 0 HHADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000499315593 1002721959 /nfs/dbraw/zinc/72/19/59/1002721959.db2.gz YAJZRTWVVPEEHI-HXOBKFHXSA-N 2 1 421.545 3.852 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000499517983 1002907203 /nfs/dbraw/zinc/90/72/03/1002907203.db2.gz FXZWWCAARPTEKA-GOSISDBHSA-N 2 1 421.010 3.952 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508712116 1003150923 /nfs/dbraw/zinc/15/09/23/1003150923.db2.gz BTVJRJDYHWOEBH-SLRMUYRHSA-N 2 1 413.512 3.737 20 0 HHADMP C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508723132 1003163918 /nfs/dbraw/zinc/16/39/18/1003163918.db2.gz ZZQFMMDHYJTOAR-FTBPSBKWSA-N 2 1 405.586 3.720 20 0 HHADMP C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508723132 1003163922 /nfs/dbraw/zinc/16/39/22/1003163922.db2.gz ZZQFMMDHYJTOAR-FTBPSBKWSA-N 2 1 405.586 3.720 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000499966943 1003286308 /nfs/dbraw/zinc/28/63/08/1003286308.db2.gz DMTWLZSHDDWSCM-UKILVPOCSA-N 2 1 412.622 3.662 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000499966943 1003286321 /nfs/dbraw/zinc/28/63/21/1003286321.db2.gz DMTWLZSHDDWSCM-UKILVPOCSA-N 2 1 412.622 3.662 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000499966943 1003286333 /nfs/dbraw/zinc/28/63/33/1003286333.db2.gz DMTWLZSHDDWSCM-UKILVPOCSA-N 2 1 412.622 3.662 20 0 HHADMP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(C)CCC[N@@H+](C)Cc1ccco1)[NH+](C)C ZINC000508870114 1003291066 /nfs/dbraw/zinc/29/10/66/1003291066.db2.gz KQWLJAFLZGJYEH-SIKLNZKXSA-N 2 1 400.567 3.743 20 0 HHADMP CCC[NH+](C)[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000509032976 1003503902 /nfs/dbraw/zinc/50/39/02/1003503902.db2.gz PTGJYGWCJAFXDA-JGUMPVPUSA-N 2 1 407.002 3.990 20 0 HHADMP CCC[N@@H+](C)[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccc(Cl)cc1 ZINC000509032976 1003503891 /nfs/dbraw/zinc/50/38/91/1003503891.db2.gz PTGJYGWCJAFXDA-JGUMPVPUSA-N 2 1 407.002 3.990 20 0 HHADMP CCC[NH+](C)[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000509032976 1003503910 /nfs/dbraw/zinc/50/39/10/1003503910.db2.gz PTGJYGWCJAFXDA-JGUMPVPUSA-N 2 1 407.002 3.990 20 0 HHADMP COC(=O)c1cccc(C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)c1 ZINC000509036493 1003505852 /nfs/dbraw/zinc/50/58/52/1003505852.db2.gz ZACYMORXRCUWFD-UHFFFAOYSA-N 2 1 411.546 3.590 20 0 HHADMP COC(=O)c1cccc(C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)c1 ZINC000509036493 1003505845 /nfs/dbraw/zinc/50/58/45/1003505845.db2.gz ZACYMORXRCUWFD-UHFFFAOYSA-N 2 1 411.546 3.590 20 0 HHADMP C[NH+](C)C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000500551388 1003778282 /nfs/dbraw/zinc/77/82/82/1003778282.db2.gz FYEAARRUYBAIQW-HKBOAZHASA-N 2 1 418.944 3.826 20 0 HHADMP C[NH+](C)C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000500551388 1003778288 /nfs/dbraw/zinc/77/82/88/1003778288.db2.gz FYEAARRUYBAIQW-HKBOAZHASA-N 2 1 418.944 3.826 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000509370247 1003798320 /nfs/dbraw/zinc/79/83/20/1003798320.db2.gz FUXZFOZWUKEUDT-RBBKRZOGSA-N 2 1 422.598 3.593 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000509370247 1003798329 /nfs/dbraw/zinc/79/83/29/1003798329.db2.gz FUXZFOZWUKEUDT-RBBKRZOGSA-N 2 1 422.598 3.593 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000509370247 1003798337 /nfs/dbraw/zinc/79/83/37/1003798337.db2.gz FUXZFOZWUKEUDT-RBBKRZOGSA-N 2 1 422.598 3.593 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000509370247 1003798344 /nfs/dbraw/zinc/79/83/44/1003798344.db2.gz FUXZFOZWUKEUDT-RBBKRZOGSA-N 2 1 422.598 3.593 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000500719442 1003918962 /nfs/dbraw/zinc/91/89/62/1003918962.db2.gz ZOCIKFPLSAABAN-REWPJTCUSA-N 2 1 421.589 3.775 20 0 HHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000500844990 1003997845 /nfs/dbraw/zinc/99/78/45/1003997845.db2.gz YAJBOLRRRZFKJE-QHCPKHFHSA-N 2 1 400.611 3.805 20 0 HHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000500844990 1003997849 /nfs/dbraw/zinc/99/78/49/1003997849.db2.gz YAJBOLRRRZFKJE-QHCPKHFHSA-N 2 1 400.611 3.805 20 0 HHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000500844990 1003997854 /nfs/dbraw/zinc/99/78/54/1003997854.db2.gz YAJBOLRRRZFKJE-QHCPKHFHSA-N 2 1 400.611 3.805 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512104801 1004026110 /nfs/dbraw/zinc/02/61/10/1004026110.db2.gz JRELMPXRNLKGQM-NFBKMPQASA-N 2 1 400.611 3.708 20 0 HHADMP C[NH+](C)CCCC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000500898079 1004037031 /nfs/dbraw/zinc/03/70/31/1004037031.db2.gz DHSFZNKPVCIIDC-SFTDATJTSA-N 2 1 407.002 3.849 20 0 HHADMP C[NH+](C)CCCC1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000500898079 1004037041 /nfs/dbraw/zinc/03/70/41/1004037041.db2.gz DHSFZNKPVCIIDC-SFTDATJTSA-N 2 1 407.002 3.849 20 0 HHADMP Cc1cc([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)sc1Br ZINC000512135776 1004047893 /nfs/dbraw/zinc/04/78/93/1004047893.db2.gz OPGTUWCTAUDMDF-CQSZACIVSA-N 2 1 409.397 3.817 20 0 HHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000512158240 1004065542 /nfs/dbraw/zinc/06/55/42/1004065542.db2.gz KKJHKNQJRDVKCT-NHTMILBNSA-N 2 1 424.633 3.945 20 0 HHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000512158240 1004065552 /nfs/dbraw/zinc/06/55/52/1004065552.db2.gz KKJHKNQJRDVKCT-NHTMILBNSA-N 2 1 424.633 3.945 20 0 HHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000512158240 1004065560 /nfs/dbraw/zinc/06/55/60/1004065560.db2.gz KKJHKNQJRDVKCT-NHTMILBNSA-N 2 1 424.633 3.945 20 0 HHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000512158242 1004065659 /nfs/dbraw/zinc/06/56/59/1004065659.db2.gz KKJHKNQJRDVKCT-XWGVYQGASA-N 2 1 424.633 3.945 20 0 HHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000512158242 1004065667 /nfs/dbraw/zinc/06/56/67/1004065667.db2.gz KKJHKNQJRDVKCT-XWGVYQGASA-N 2 1 424.633 3.945 20 0 HHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000512158242 1004065677 /nfs/dbraw/zinc/06/56/77/1004065677.db2.gz KKJHKNQJRDVKCT-XWGVYQGASA-N 2 1 424.633 3.945 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000509766216 1004081582 /nfs/dbraw/zinc/08/15/82/1004081582.db2.gz HACRPVMRDRRLIN-CTNGQTDRSA-N 2 1 400.611 3.849 20 0 HHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3OCC(=O)N3CCCC3)C2)CC1 ZINC000512182518 1004085121 /nfs/dbraw/zinc/08/51/21/1004085121.db2.gz SFBDGKFKTYYYFC-JOCHJYFZSA-N 2 1 413.606 3.632 20 0 HHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3OCC(=O)N3CCCC3)C2)CC1 ZINC000512182518 1004085133 /nfs/dbraw/zinc/08/51/33/1004085133.db2.gz SFBDGKFKTYYYFC-JOCHJYFZSA-N 2 1 413.606 3.632 20 0 HHADMP Cc1ccc(NCCCNC(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[nH+]c1 ZINC000509808583 1004114369 /nfs/dbraw/zinc/11/43/69/1004114369.db2.gz UYHLJEMLCMGLCR-UNMCSNQZSA-N 2 1 409.578 3.792 20 0 HHADMP Cc1ccc(NCCCNC(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[nH+]c1 ZINC000509808583 1004114376 /nfs/dbraw/zinc/11/43/76/1004114376.db2.gz UYHLJEMLCMGLCR-UNMCSNQZSA-N 2 1 409.578 3.792 20 0 HHADMP COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501019411 1004121926 /nfs/dbraw/zinc/12/19/26/1004121926.db2.gz ISOFAZDPUMOMKJ-UHFFFAOYSA-N 2 1 402.926 3.531 20 0 HHADMP Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501025450 1004128603 /nfs/dbraw/zinc/12/86/03/1004128603.db2.gz FJENHZWHQSDJBE-UHFFFAOYSA-N 2 1 421.589 3.777 20 0 HHADMP C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501045416 1004147355 /nfs/dbraw/zinc/14/73/55/1004147355.db2.gz JVPRHIBZDMIBMX-MRXNPFEDSA-N 2 1 418.488 3.858 20 0 HHADMP C[N@H+](CC(=O)Nc1nc(-c2ccco2)cs1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501051074 1004153668 /nfs/dbraw/zinc/15/36/68/1004153668.db2.gz GGTVGMKADQZEPO-UHFFFAOYSA-N 2 1 411.531 3.585 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@H](c3ccc(Br)cc3)[C@@H]2C)CC1 ZINC000501062008 1004164255 /nfs/dbraw/zinc/16/42/55/1004164255.db2.gz WSMFZWOEWCIBBJ-RXVVDRJESA-N 2 1 424.427 3.627 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@H](c3ccc(Br)cc3)[C@@H]2C)CC1 ZINC000501062008 1004164260 /nfs/dbraw/zinc/16/42/60/1004164260.db2.gz WSMFZWOEWCIBBJ-RXVVDRJESA-N 2 1 424.427 3.627 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)[C@H]2C)CC1 ZINC000501062009 1004164519 /nfs/dbraw/zinc/16/45/19/1004164519.db2.gz WSMFZWOEWCIBBJ-WIYYLYMNSA-N 2 1 424.427 3.627 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@@H](c3ccc(Br)cc3)[C@H]2C)CC1 ZINC000501062009 1004164524 /nfs/dbraw/zinc/16/45/24/1004164524.db2.gz WSMFZWOEWCIBBJ-WIYYLYMNSA-N 2 1 424.427 3.627 20 0 HHADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000501065676 1004168526 /nfs/dbraw/zinc/16/85/26/1004168526.db2.gz GUUCJMOIOZUWAG-XMMPIXPASA-N 2 1 421.589 3.604 20 0 HHADMP COc1ccc([C@H](NC(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)C(C)C)cc1 ZINC000501068082 1004170190 /nfs/dbraw/zinc/17/01/90/1004170190.db2.gz KOQDXIZNRCWIED-RUZDIDTESA-N 2 1 424.589 3.752 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(CC(=O)N[C@H](c2nccs2)c2ccccc2)CC1 ZINC000512270922 1004171136 /nfs/dbraw/zinc/17/11/36/1004171136.db2.gz OOHOQCYLIJUWRG-QFIPXVFZSA-N 2 1 414.619 3.793 20 0 HHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@H](c2nccs2)c2ccccc2)CC1 ZINC000512270922 1004171141 /nfs/dbraw/zinc/17/11/41/1004171141.db2.gz OOHOQCYLIJUWRG-QFIPXVFZSA-N 2 1 414.619 3.793 20 0 HHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@H](c2nccs2)c2ccccc2)CC1 ZINC000512270922 1004171145 /nfs/dbraw/zinc/17/11/45/1004171145.db2.gz OOHOQCYLIJUWRG-QFIPXVFZSA-N 2 1 414.619 3.793 20 0 HHADMP O[C@H](COc1cccc2[nH]ccc21)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512271583 1004172562 /nfs/dbraw/zinc/17/25/62/1004172562.db2.gz UWMZRXQSZYVOHY-OFVILXPXSA-N 2 1 405.542 3.506 20 0 HHADMP O[C@H](COc1cccc2[nH]ccc21)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512271583 1004172574 /nfs/dbraw/zinc/17/25/74/1004172574.db2.gz UWMZRXQSZYVOHY-OFVILXPXSA-N 2 1 405.542 3.506 20 0 HHADMP O[C@H](COc1cccc2[nH]ccc21)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512271583 1004172580 /nfs/dbraw/zinc/17/25/80/1004172580.db2.gz UWMZRXQSZYVOHY-OFVILXPXSA-N 2 1 405.542 3.506 20 0 HHADMP O[C@H](COc1cccc2[nH]ccc21)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512271583 1004172587 /nfs/dbraw/zinc/17/25/87/1004172587.db2.gz UWMZRXQSZYVOHY-OFVILXPXSA-N 2 1 405.542 3.506 20 0 HHADMP CCC[N@H+](CC(=O)N(CC(C)C)C(C)C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512275648 1004176223 /nfs/dbraw/zinc/17/62/23/1004176223.db2.gz APBRPSDUPJCERP-UHFFFAOYSA-N 2 1 403.615 3.667 20 0 HHADMP CCC[N@@H+](CC(=O)N(CC(C)C)C(C)C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512275648 1004176231 /nfs/dbraw/zinc/17/62/31/1004176231.db2.gz APBRPSDUPJCERP-UHFFFAOYSA-N 2 1 403.615 3.667 20 0 HHADMP O[C@@H](COc1ccccc1Cl)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512279225 1004180456 /nfs/dbraw/zinc/18/04/56/1004180456.db2.gz RVVYATSJDVNUNV-NFBKMPQASA-N 2 1 400.950 3.678 20 0 HHADMP O[C@@H](COc1ccccc1Cl)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512279225 1004180459 /nfs/dbraw/zinc/18/04/59/1004180459.db2.gz RVVYATSJDVNUNV-NFBKMPQASA-N 2 1 400.950 3.678 20 0 HHADMP O[C@@H](COc1ccccc1Cl)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512279225 1004180464 /nfs/dbraw/zinc/18/04/64/1004180464.db2.gz RVVYATSJDVNUNV-NFBKMPQASA-N 2 1 400.950 3.678 20 0 HHADMP O[C@@H](COc1ccccc1Cl)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512279225 1004180468 /nfs/dbraw/zinc/18/04/68/1004180468.db2.gz RVVYATSJDVNUNV-NFBKMPQASA-N 2 1 400.950 3.678 20 0 HHADMP CCC[N@H+](CC[S@](=O)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512283162 1004185575 /nfs/dbraw/zinc/18/55/75/1004185575.db2.gz YWSKLSQURONBRB-NDEPHWFRSA-N 2 1 400.592 3.582 20 0 HHADMP CCC[N@@H+](CC[S@](=O)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512283162 1004185582 /nfs/dbraw/zinc/18/55/82/1004185582.db2.gz YWSKLSQURONBRB-NDEPHWFRSA-N 2 1 400.592 3.582 20 0 HHADMP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000512290037 1004193036 /nfs/dbraw/zinc/19/30/36/1004193036.db2.gz WXOASUWNOCCANH-YFNKSVMNSA-N 2 1 412.599 3.871 20 0 HHADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000501089376 1004195574 /nfs/dbraw/zinc/19/55/74/1004195574.db2.gz QHYZYTJKMVOITM-ZHFAOOELSA-N 2 1 422.976 3.740 20 0 HHADMP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000512318211 1004213955 /nfs/dbraw/zinc/21/39/55/1004213955.db2.gz LWGIFKQRFKQVNC-KSZLIROESA-N 2 1 403.567 3.664 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000501172734 1004252967 /nfs/dbraw/zinc/25/29/67/1004252967.db2.gz IZBLZDHNSRRTGR-PGRDOPGGSA-N 2 1 414.619 3.877 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000501172735 1004253108 /nfs/dbraw/zinc/25/31/08/1004253108.db2.gz IZBLZDHNSRRTGR-XMSQKQJNSA-N 2 1 414.619 3.877 20 0 HHADMP C[C@H]1C[C@H](CCNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000512406434 1004275699 /nfs/dbraw/zinc/27/56/99/1004275699.db2.gz PXJCESQNHRYIHK-URXFXBBRSA-N 2 1 412.622 3.805 20 0 HHADMP c1ccc(CCOCCC[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512420592 1004286634 /nfs/dbraw/zinc/28/66/34/1004286634.db2.gz LXEATYPKISZVQS-SANMLTNESA-N 2 1 407.602 3.528 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N(CC[NH+](C)C)C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000512425057 1004291316 /nfs/dbraw/zinc/29/13/16/1004291316.db2.gz WXXHBCGDFXEGHF-IFMALSPDSA-N 2 1 400.611 3.803 20 0 HHADMP Fc1ccc(-c2cc(CN3CCN([C@H]4CC[N@@H+](Cc5ccccc5)C4)CC3)on2)cc1 ZINC000512481754 1004334515 /nfs/dbraw/zinc/33/45/15/1004334515.db2.gz XXTAWUMGNARMHQ-QHCPKHFHSA-N 2 1 420.532 3.873 20 0 HHADMP C[C@H]1C[C@@H](CCNC(=O)c2ccccc2OCC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000510119344 1004337439 /nfs/dbraw/zinc/33/74/39/1004337439.db2.gz NVLCXCDKQYVHAX-RBBKRZOGSA-N 2 1 409.574 3.658 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)[NH+]1CCCC[C@@H]1C ZINC000510144543 1004354882 /nfs/dbraw/zinc/35/48/82/1004354882.db2.gz LMPFMFQSFIVTFH-VXKWHMMOSA-N 2 1 400.611 3.599 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[NH+](CCCc2ccccc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000510144543 1004354887 /nfs/dbraw/zinc/35/48/87/1004354887.db2.gz LMPFMFQSFIVTFH-VXKWHMMOSA-N 2 1 400.611 3.599 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[NH+](CCCc2ccccc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000510144543 1004354896 /nfs/dbraw/zinc/35/48/96/1004354896.db2.gz LMPFMFQSFIVTFH-VXKWHMMOSA-N 2 1 400.611 3.599 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000501378895 1004377760 /nfs/dbraw/zinc/37/77/60/1004377760.db2.gz UNDACEHUZUHNHB-FYYLOGMGSA-N 2 1 422.573 3.558 20 0 HHADMP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501387587 1004383217 /nfs/dbraw/zinc/38/32/17/1004383217.db2.gz IADCSYLSISTWLD-FYYLOGMGSA-N 2 1 400.611 3.805 20 0 HHADMP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501393199 1004388125 /nfs/dbraw/zinc/38/81/25/1004388125.db2.gz PDADTNJXFYERAH-GMAHTHKFSA-N 2 1 400.611 3.805 20 0 HHADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000510244550 1004421091 /nfs/dbraw/zinc/42/10/91/1004421091.db2.gz UDCNKIMQBJMFCD-RTWAWAEBSA-N 2 1 405.533 3.621 20 0 HHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000512640966 1004452404 /nfs/dbraw/zinc/45/24/04/1004452404.db2.gz BWOQNIMLNJZGQE-UWNMQHKVSA-N 2 1 411.634 3.645 20 0 HHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000512640966 1004452412 /nfs/dbraw/zinc/45/24/12/1004452412.db2.gz BWOQNIMLNJZGQE-UWNMQHKVSA-N 3 1 411.634 3.645 20 0 HHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000512640966 1004452417 /nfs/dbraw/zinc/45/24/17/1004452417.db2.gz BWOQNIMLNJZGQE-UWNMQHKVSA-N 3 1 411.634 3.645 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NCC4([NH+]5CCCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000512661169 1004472097 /nfs/dbraw/zinc/47/20/97/1004472097.db2.gz QFYNDDHECLMNKS-CCDWMCETSA-N 2 1 411.634 3.912 20 0 HHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC4(N5CCCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000512661169 1004472102 /nfs/dbraw/zinc/47/21/02/1004472102.db2.gz QFYNDDHECLMNKS-CCDWMCETSA-N 2 1 411.634 3.912 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC4(N5CCCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000512661169 1004472106 /nfs/dbraw/zinc/47/21/06/1004472106.db2.gz QFYNDDHECLMNKS-CCDWMCETSA-N 2 1 411.634 3.912 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000512686070 1004492381 /nfs/dbraw/zinc/49/23/81/1004492381.db2.gz FRQFRMKOOYRGFU-HDICACEKSA-N 2 1 401.986 3.721 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000512686070 1004492388 /nfs/dbraw/zinc/49/23/88/1004492388.db2.gz FRQFRMKOOYRGFU-HDICACEKSA-N 2 1 401.986 3.721 20 0 HHADMP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512693164 1004499086 /nfs/dbraw/zinc/49/90/86/1004499086.db2.gz HKRGDGYUIVFUFX-ZWKOTPCHSA-N 2 1 422.564 3.691 20 0 HHADMP C[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCCC[C@H]1C ZINC000501553748 1004511327 /nfs/dbraw/zinc/51/13/27/1004511327.db2.gz RPLMJMRYQIQUKO-RTBURBONSA-N 2 1 407.002 3.820 20 0 HHADMP C[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCCC[C@H]1C ZINC000501553748 1004511332 /nfs/dbraw/zinc/51/13/32/1004511332.db2.gz RPLMJMRYQIQUKO-RTBURBONSA-N 2 1 407.002 3.820 20 0 HHADMP C[C@H](CNC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000501553748 1004511334 /nfs/dbraw/zinc/51/13/34/1004511334.db2.gz RPLMJMRYQIQUKO-RTBURBONSA-N 2 1 407.002 3.820 20 0 HHADMP C[C@H](CNC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000501553748 1004511337 /nfs/dbraw/zinc/51/13/37/1004511337.db2.gz RPLMJMRYQIQUKO-RTBURBONSA-N 2 1 407.002 3.820 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)NCCC[NH+](C)C3CCCCC3)CC2)cc1 ZINC000501561594 1004518561 /nfs/dbraw/zinc/51/85/61/1004518561.db2.gz OZOCCLUFAFIMGI-UHFFFAOYSA-N 2 1 416.610 3.567 20 0 HHADMP COc1ccc(C[NH+]2CCCN(C(=O)NCCC[N@H+](C)C3CCCCC3)CC2)cc1 ZINC000501561594 1004518571 /nfs/dbraw/zinc/51/85/71/1004518571.db2.gz OZOCCLUFAFIMGI-UHFFFAOYSA-N 2 1 416.610 3.567 20 0 HHADMP COc1ccc(C[NH+]2CCCN(C(=O)NCCC[N@@H+](C)C3CCCCC3)CC2)cc1 ZINC000501561594 1004518578 /nfs/dbraw/zinc/51/85/78/1004518578.db2.gz OZOCCLUFAFIMGI-UHFFFAOYSA-N 2 1 416.610 3.567 20 0 HHADMP FC(F)OC[C@@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@H](COC(F)F)C2)C1 ZINC000512821669 1004580714 /nfs/dbraw/zinc/58/07/14/1004580714.db2.gz CWFMIPVCUKVORZ-IYBDPMFKSA-N 2 1 404.448 3.809 20 0 HHADMP FC(F)OC[C@@H]1CC[N@@H+](Cc2ccccc2C[NH+]2CC[C@H](COC(F)F)C2)C1 ZINC000512821669 1004580725 /nfs/dbraw/zinc/58/07/25/1004580725.db2.gz CWFMIPVCUKVORZ-IYBDPMFKSA-N 2 1 404.448 3.809 20 0 HHADMP FC(F)OC[C@@H]1CC[N@H+](Cc2ccccc2C[NH+]2CC[C@H](COC(F)F)C2)C1 ZINC000512821669 1004580738 /nfs/dbraw/zinc/58/07/38/1004580738.db2.gz CWFMIPVCUKVORZ-IYBDPMFKSA-N 2 1 404.448 3.809 20 0 HHADMP Cc1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(OCC[NH+](C)C)c1 ZINC000512836678 1004595342 /nfs/dbraw/zinc/59/53/42/1004595342.db2.gz AWDGEPZWPXYFMY-MOPGFXCFSA-N 2 1 402.583 3.710 20 0 HHADMP O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000512853137 1004616439 /nfs/dbraw/zinc/61/64/39/1004616439.db2.gz TZPZBZHQZMKDRX-WOJBJXKFSA-N 2 1 424.511 3.550 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000510508905 1004631272 /nfs/dbraw/zinc/63/12/72/1004631272.db2.gz CBJFQOUTLFNYKQ-TZIWHRDSSA-N 2 1 400.611 3.979 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510508905 1004631280 /nfs/dbraw/zinc/63/12/80/1004631280.db2.gz CBJFQOUTLFNYKQ-TZIWHRDSSA-N 2 1 400.611 3.979 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510508905 1004631286 /nfs/dbraw/zinc/63/12/86/1004631286.db2.gz CBJFQOUTLFNYKQ-TZIWHRDSSA-N 2 1 400.611 3.979 20 0 HHADMP C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510544868 1004677406 /nfs/dbraw/zinc/67/74/06/1004677406.db2.gz JQMLJTVCIHLSNP-NSHGMRRFSA-N 2 1 404.624 3.837 20 0 HHADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000501773295 1004712064 /nfs/dbraw/zinc/71/20/64/1004712064.db2.gz ZLHXQWBOTQKSGS-UHFFFAOYSA-N 2 1 406.958 3.960 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000501773295 1004712070 /nfs/dbraw/zinc/71/20/70/1004712070.db2.gz ZLHXQWBOTQKSGS-UHFFFAOYSA-N 2 1 406.958 3.960 20 0 HHADMP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000501779274 1004719118 /nfs/dbraw/zinc/71/91/18/1004719118.db2.gz ALXFQNOHGZBNMR-DEOSSOPVSA-N 2 1 406.574 3.741 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000501793311 1004735993 /nfs/dbraw/zinc/73/59/93/1004735993.db2.gz VJFSJHFMJYJWMS-LYGPYEHVSA-N 2 1 419.654 3.530 20 0 HHADMP C[NH+](C)CCCC1CC[NH+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)CC1 ZINC000501797904 1004741164 /nfs/dbraw/zinc/74/11/64/1004741164.db2.gz XESMDNPQLHZRJK-HXUWFJFHSA-N 2 1 412.534 3.604 20 0 HHADMP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CC[C@H]1CCCC[NH+]1C ZINC000502018214 1004863834 /nfs/dbraw/zinc/86/38/34/1004863834.db2.gz SDWZVMWIEXPOHH-WWPVKYPJSA-N 2 1 400.611 3.713 20 0 HHADMP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CC[C@H]1CCCC[NH+]1C ZINC000502018214 1004863839 /nfs/dbraw/zinc/86/38/39/1004863839.db2.gz SDWZVMWIEXPOHH-WWPVKYPJSA-N 2 1 400.611 3.713 20 0 HHADMP CC[C@H](C)[C@H]1C[NH+](Cc2ccc(C)nc2)CCN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000502018214 1004863844 /nfs/dbraw/zinc/86/38/44/1004863844.db2.gz SDWZVMWIEXPOHH-WWPVKYPJSA-N 2 1 400.611 3.713 20 0 HHADMP CC[C@H](C)[C@H]1C[NH+](Cc2ccc(C)nc2)CCN1C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000502018214 1004863851 /nfs/dbraw/zinc/86/38/51/1004863851.db2.gz SDWZVMWIEXPOHH-WWPVKYPJSA-N 2 1 400.611 3.713 20 0 HHADMP CC[N@H+](Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1)C1CC1 ZINC000510819244 1004872844 /nfs/dbraw/zinc/87/28/44/1004872844.db2.gz BJLPXBZYSVKJNZ-OAQYLSRUSA-N 2 1 420.601 3.611 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1)C1CC1 ZINC000510819244 1004872848 /nfs/dbraw/zinc/87/28/48/1004872848.db2.gz BJLPXBZYSVKJNZ-OAQYLSRUSA-N 2 1 420.601 3.611 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000510946147 1004947786 /nfs/dbraw/zinc/94/77/86/1004947786.db2.gz BRRORZZMKBOZPF-UHFFFAOYSA-N 2 1 410.562 3.681 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000510946147 1004947790 /nfs/dbraw/zinc/94/77/90/1004947790.db2.gz BRRORZZMKBOZPF-UHFFFAOYSA-N 2 1 410.562 3.681 20 0 HHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cn(-c4ccc(C)cc4)nc3C(C)(C)C)C2)CC1 ZINC000513452728 1004973588 /nfs/dbraw/zinc/97/35/88/1004973588.db2.gz ZXPZPPJMWROVIR-HSZRJFAPSA-N 2 1 409.622 3.690 20 0 HHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccccc2OCC(=O)N(C)C)C[N@H+]1Cc1ccccc1 ZINC000513506277 1004995178 /nfs/dbraw/zinc/99/51/78/1004995178.db2.gz PLVMGCIZGNGENU-IFMALSPDSA-N 2 1 409.574 3.544 20 0 HHADMP O=C(C[N@@H+](Cc1ccccc1C(F)(F)F)CC1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000511057847 1005001071 /nfs/dbraw/zinc/00/10/71/1005001071.db2.gz CBPUMYMDKFSEBA-UHFFFAOYSA-N 2 1 409.496 3.660 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc(C(=O)OC)ccc2F)CC1 ZINC000511204634 1005072998 /nfs/dbraw/zinc/07/29/98/1005072998.db2.gz SVAORLVDZRZNGV-MRXNPFEDSA-N 2 1 417.500 3.744 20 0 HHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511228744 1005082719 /nfs/dbraw/zinc/08/27/19/1005082719.db2.gz OLJISTIEKXNDNB-DENIHFKCSA-N 2 1 400.611 3.933 20 0 HHADMP C[C@H](NC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)C1=CC[N@H+](C)CC1 ZINC000511235095 1005085472 /nfs/dbraw/zinc/08/54/72/1005085472.db2.gz ZJHXJXGCBYCOSC-IBGZPJMESA-N 2 1 416.569 3.734 20 0 HHADMP C[C@H](NC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)C1=CC[N@@H+](C)CC1 ZINC000511235095 1005085477 /nfs/dbraw/zinc/08/54/77/1005085477.db2.gz ZJHXJXGCBYCOSC-IBGZPJMESA-N 2 1 416.569 3.734 20 0 HHADMP COc1cc(C)c(C[C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1OC ZINC000502475109 1005086604 /nfs/dbraw/zinc/08/66/04/1005086604.db2.gz IWOYBFLWGCNJLB-CVDCTZTESA-N 2 1 412.574 3.690 20 0 HHADMP C[C@@H](NC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)C1=CC[NH+](C)CC1 ZINC000511284821 1005107397 /nfs/dbraw/zinc/10/73/97/1005107397.db2.gz FBVXNFUSWSHLHE-UTKZUKDTSA-N 2 1 404.986 3.644 20 0 HHADMP C[C@@H](NC(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1)C1=CC[N@H+](C)CC1 ZINC000511284821 1005107399 /nfs/dbraw/zinc/10/73/99/1005107399.db2.gz FBVXNFUSWSHLHE-UTKZUKDTSA-N 2 1 404.986 3.644 20 0 HHADMP C[C@@H](NC(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1)C1=CC[N@@H+](C)CC1 ZINC000511284821 1005107401 /nfs/dbraw/zinc/10/74/01/1005107401.db2.gz FBVXNFUSWSHLHE-UTKZUKDTSA-N 2 1 404.986 3.644 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1)C1CC1 ZINC000511416128 1005166667 /nfs/dbraw/zinc/16/66/67/1005166667.db2.gz RPKUHXNZXXYEKN-UHFFFAOYSA-N 2 1 406.574 3.983 20 0 HHADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCC2(CC)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000514013270 1005228271 /nfs/dbraw/zinc/22/82/71/1005228271.db2.gz LWRRKUDRPNITBG-QFIPXVFZSA-N 2 1 400.611 3.710 20 0 HHADMP CCC1(CNC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000514021425 1005231303 /nfs/dbraw/zinc/23/13/03/1005231303.db2.gz ZLJZSBYAVCKNAP-HSZRJFAPSA-N 2 1 414.638 3.956 20 0 HHADMP CC[N@H+]1CCC[C@H](CNC(=O)NCC2(CC)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000514026593 1005233613 /nfs/dbraw/zinc/23/36/13/1005233613.db2.gz IPVZEGLXQYHKOE-JOCHJYFZSA-N 2 1 400.611 3.710 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000514033130 1005236188 /nfs/dbraw/zinc/23/61/88/1005236188.db2.gz QBBHZJQDZQABDO-GBXCKJPGSA-N 2 1 406.574 3.917 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000511600129 1005240518 /nfs/dbraw/zinc/24/05/18/1005240518.db2.gz RKFTUXWVBVXVLM-YADHBBJMSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000511600129 1005240520 /nfs/dbraw/zinc/24/05/20/1005240520.db2.gz RKFTUXWVBVXVLM-YADHBBJMSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000511600129 1005240524 /nfs/dbraw/zinc/24/05/24/1005240524.db2.gz RKFTUXWVBVXVLM-YADHBBJMSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000511600126 1005240587 /nfs/dbraw/zinc/24/05/87/1005240587.db2.gz RKFTUXWVBVXVLM-FCHUYYIVSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000511600126 1005240592 /nfs/dbraw/zinc/24/05/92/1005240592.db2.gz RKFTUXWVBVXVLM-FCHUYYIVSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000511600126 1005240598 /nfs/dbraw/zinc/24/05/98/1005240598.db2.gz RKFTUXWVBVXVLM-FCHUYYIVSA-N 2 1 400.611 3.564 20 0 HHADMP C[C@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000502845006 1005241737 /nfs/dbraw/zinc/24/17/37/1005241737.db2.gz NKXIQGIPWLEPII-WOJBJXKFSA-N 2 1 408.590 3.862 20 0 HHADMP COc1ccc([C@H](CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000502889494 1005260830 /nfs/dbraw/zinc/26/08/30/1005260830.db2.gz XLQGQNXYHWLEGP-REWPJTCUSA-N 2 1 416.610 3.643 20 0 HHADMP COc1ccc([C@@H](CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000502889490 1005260979 /nfs/dbraw/zinc/26/09/79/1005260979.db2.gz XLQGQNXYHWLEGP-NFBKMPQASA-N 2 1 416.610 3.643 20 0 HHADMP COC(=O)[C@H](C)Oc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000514092174 1005261516 /nfs/dbraw/zinc/26/15/16/1005261516.db2.gz CNQRVSCUPFPFJV-FQEVSTJZSA-N 2 1 410.558 3.971 20 0 HHADMP CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N1CC[NH+](C)CC1 ZINC000514094995 1005262989 /nfs/dbraw/zinc/26/29/89/1005262989.db2.gz PGXGSODEMWYUTI-QUMGSSFMSA-N 3 1 412.666 3.539 20 0 HHADMP CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N1CCN(C)CC1 ZINC000514094995 1005262996 /nfs/dbraw/zinc/26/29/96/1005262996.db2.gz PGXGSODEMWYUTI-QUMGSSFMSA-N 2 1 412.666 3.539 20 0 HHADMP CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N1CCN(C)CC1 ZINC000514094995 1005262999 /nfs/dbraw/zinc/26/29/99/1005262999.db2.gz PGXGSODEMWYUTI-QUMGSSFMSA-N 2 1 412.666 3.539 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000514115271 1005272329 /nfs/dbraw/zinc/27/23/29/1005272329.db2.gz QSNYBZKPCZHROR-JTHBVZDNSA-N 2 1 400.611 3.943 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000511678372 1005272882 /nfs/dbraw/zinc/27/28/82/1005272882.db2.gz ZGGQKOVSHIFNQO-XXBNENTESA-N 2 1 409.599 3.801 20 0 HHADMP C[C@@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000502998888 1005309744 /nfs/dbraw/zinc/30/97/44/1005309744.db2.gz UCYVPIYKVOYMKW-LAUBAEHRSA-N 2 1 403.364 3.779 20 0 HHADMP C[C@@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000502998888 1005309750 /nfs/dbraw/zinc/30/97/50/1005309750.db2.gz UCYVPIYKVOYMKW-LAUBAEHRSA-N 2 1 403.364 3.779 20 0 HHADMP C[C@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000502998887 1005309792 /nfs/dbraw/zinc/30/97/92/1005309792.db2.gz UCYVPIYKVOYMKW-DYESRHJHSA-N 2 1 403.364 3.779 20 0 HHADMP C[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000502998887 1005309794 /nfs/dbraw/zinc/30/97/94/1005309794.db2.gz UCYVPIYKVOYMKW-DYESRHJHSA-N 2 1 403.364 3.779 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000514217831 1005318297 /nfs/dbraw/zinc/31/82/97/1005318297.db2.gz FYLCBCWZHFBBAJ-AGILITTLSA-N 2 1 406.574 3.958 20 0 HHADMP CC(C)(C)OC(=O)c1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000514243528 1005330018 /nfs/dbraw/zinc/33/00/18/1005330018.db2.gz UKGJTODDHKBPEH-HSZRJFAPSA-N 2 1 410.558 3.888 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000503398555 1005408127 /nfs/dbraw/zinc/40/81/27/1005408127.db2.gz JXKBUGINOJADIT-GMAHTHKFSA-N 2 1 400.611 3.505 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000503398555 1005408129 /nfs/dbraw/zinc/40/81/29/1005408129.db2.gz JXKBUGINOJADIT-GMAHTHKFSA-N 2 1 400.611 3.505 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000503398555 1005408132 /nfs/dbraw/zinc/40/81/32/1005408132.db2.gz JXKBUGINOJADIT-GMAHTHKFSA-N 2 1 400.611 3.505 20 0 HHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000503723153 1005485971 /nfs/dbraw/zinc/48/59/71/1005485971.db2.gz GEEHAQDMGJDROV-NRFANRHFSA-N 2 1 408.590 3.686 20 0 HHADMP CC(C)[NH+](CCN(C)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)C(C)C ZINC000503980481 1005524937 /nfs/dbraw/zinc/52/49/37/1005524937.db2.gz YGVPTJDIYYSYGK-UHFFFAOYSA-N 2 1 410.553 3.689 20 0 HHADMP CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000514509715 1006013114 /nfs/dbraw/zinc/01/31/14/1006013114.db2.gz FHJSFNKUFDTZGG-UHFFFAOYSA-N 2 1 421.589 3.568 20 0 HHADMP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000534054492 1006024192 /nfs/dbraw/zinc/02/41/92/1006024192.db2.gz CXDXIGZVKVTVMI-BHIFYINESA-N 2 1 412.965 3.659 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000534054492 1006024204 /nfs/dbraw/zinc/02/42/04/1006024204.db2.gz CXDXIGZVKVTVMI-BHIFYINESA-N 2 1 412.965 3.659 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000534054492 1006024220 /nfs/dbraw/zinc/02/42/20/1006024220.db2.gz CXDXIGZVKVTVMI-BHIFYINESA-N 2 1 412.965 3.659 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000534054492 1006024230 /nfs/dbraw/zinc/02/42/30/1006024230.db2.gz CXDXIGZVKVTVMI-BHIFYINESA-N 2 1 412.965 3.659 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000534055141 1006025196 /nfs/dbraw/zinc/02/51/96/1006025196.db2.gz RXWAPBBHCBLSND-LEWJYISDSA-N 2 1 407.002 3.897 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000534055141 1006025209 /nfs/dbraw/zinc/02/52/09/1006025209.db2.gz RXWAPBBHCBLSND-LEWJYISDSA-N 2 1 407.002 3.897 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cn4cc(Cl)ccc4n3)CC2)CC1 ZINC000531191079 1006036964 /nfs/dbraw/zinc/03/69/64/1006036964.db2.gz LSZNSVKECKEBEA-UHFFFAOYSA-N 2 1 404.002 3.616 20 0 HHADMP C[N@@H+]1CC[C@@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534098083 1006070750 /nfs/dbraw/zinc/07/07/50/1006070750.db2.gz ITVHSFLCWYCQJK-RTWAWAEBSA-N 2 1 404.986 3.603 20 0 HHADMP C[N@H+]1CC[C@@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534098083 1006070759 /nfs/dbraw/zinc/07/07/59/1006070759.db2.gz ITVHSFLCWYCQJK-RTWAWAEBSA-N 2 1 404.986 3.603 20 0 HHADMP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000534099365 1006071238 /nfs/dbraw/zinc/07/12/38/1006071238.db2.gz MDQZBXWKLBRBES-MVWVFHAYSA-N 2 1 416.997 3.744 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000534099365 1006071250 /nfs/dbraw/zinc/07/12/50/1006071250.db2.gz MDQZBXWKLBRBES-MVWVFHAYSA-N 2 1 416.997 3.744 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000534099365 1006071262 /nfs/dbraw/zinc/07/12/62/1006071262.db2.gz MDQZBXWKLBRBES-MVWVFHAYSA-N 2 1 416.997 3.744 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000534099365 1006071279 /nfs/dbraw/zinc/07/12/79/1006071279.db2.gz MDQZBXWKLBRBES-MVWVFHAYSA-N 2 1 416.997 3.744 20 0 HHADMP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000534110257 1006085992 /nfs/dbraw/zinc/08/59/92/1006085992.db2.gz NRDGDUDYNNNFDM-RTWAWAEBSA-N 2 1 407.002 3.847 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000534110257 1006086006 /nfs/dbraw/zinc/08/60/06/1006086006.db2.gz NRDGDUDYNNNFDM-RTWAWAEBSA-N 2 1 407.002 3.847 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000534110257 1006086017 /nfs/dbraw/zinc/08/60/17/1006086017.db2.gz NRDGDUDYNNNFDM-RTWAWAEBSA-N 2 1 407.002 3.847 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000534110257 1006086029 /nfs/dbraw/zinc/08/60/29/1006086029.db2.gz NRDGDUDYNNNFDM-RTWAWAEBSA-N 2 1 407.002 3.847 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000534181444 1006169367 /nfs/dbraw/zinc/16/93/67/1006169367.db2.gz FOWCWPQJODMGAN-LOSJGSFVSA-N 2 1 423.601 3.531 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000534181444 1006169369 /nfs/dbraw/zinc/16/93/69/1006169369.db2.gz FOWCWPQJODMGAN-LOSJGSFVSA-N 2 1 423.601 3.531 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000534181444 1006169374 /nfs/dbraw/zinc/16/93/74/1006169374.db2.gz FOWCWPQJODMGAN-LOSJGSFVSA-N 2 1 423.601 3.531 20 0 HHADMP CCOc1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000534194037 1006184021 /nfs/dbraw/zinc/18/40/21/1006184021.db2.gz KJQTXIASMCWJBV-NHCUHLMSSA-N 2 1 402.583 3.886 20 0 HHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000534249475 1006256932 /nfs/dbraw/zinc/25/69/32/1006256932.db2.gz GOZOVGTZNYGPOW-YADHBBJMSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534249475 1006256942 /nfs/dbraw/zinc/25/69/42/1006256942.db2.gz GOZOVGTZNYGPOW-YADHBBJMSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534249475 1006256954 /nfs/dbraw/zinc/25/69/54/1006256954.db2.gz GOZOVGTZNYGPOW-YADHBBJMSA-N 2 1 412.622 3.805 20 0 HHADMP CC1CC[NH+](CCCNC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534250101 1006257064 /nfs/dbraw/zinc/25/70/64/1006257064.db2.gz IJNTUNYTBZTDLO-WIYYLYMNSA-N 2 1 424.992 3.893 20 0 HHADMP C[NH+](C)CCN(C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000534250799 1006258180 /nfs/dbraw/zinc/25/81/80/1006258180.db2.gz MTESSPSJGSNAII-DYESRHJHSA-N 2 1 424.992 3.988 20 0 HHADMP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000531702941 1006366008 /nfs/dbraw/zinc/36/60/08/1006366008.db2.gz VTPWDIVJHXSBPR-AUSIDOKSSA-N 2 1 421.651 3.647 20 0 HHADMP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1OCc1ccccc1 ZINC000531759443 1006403738 /nfs/dbraw/zinc/40/37/38/1006403738.db2.gz RAPIRMHDEDVQMF-XZOQPEGZSA-N 2 1 410.558 3.742 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000534441188 1006418593 /nfs/dbraw/zinc/41/85/93/1006418593.db2.gz DKRDPVJDRWCOMO-JDBUVZGPSA-N 2 1 412.622 3.516 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(Cl)c4cccnc34)c2)C1 ZINC000531866345 1006487144 /nfs/dbraw/zinc/48/71/44/1006487144.db2.gz PECHZLTZTYZTPC-FQEVSTJZSA-N 2 1 422.960 3.875 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000515517467 1006510584 /nfs/dbraw/zinc/51/05/84/1006510584.db2.gz RNYWMPQJZXPYGM-RTBURBONSA-N 2 1 423.557 3.949 20 0 HHADMP COc1cc(C[C@@H](CO)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc(OC)c1 ZINC000531994964 1006566506 /nfs/dbraw/zinc/56/65/06/1006566506.db2.gz VWDWZCDPQGSLRF-FXAWDEMLSA-N 2 1 409.530 3.700 20 0 HHADMP c1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)n(-c2ccccc2)n1 ZINC000515677237 1006583672 /nfs/dbraw/zinc/58/36/72/1006583672.db2.gz QOWOHZDABLLWNW-QHCPKHFHSA-N 2 1 416.569 3.891 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)NC(=O)NC1CCCCC1 ZINC000515756052 1006644320 /nfs/dbraw/zinc/64/43/20/1006644320.db2.gz GPJDDOLFIDPZMR-RBUKOAKNSA-N 2 1 414.594 3.698 20 0 HHADMP COc1ccc([C@@H](C)[NH2+]CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)cc1F ZINC000538388933 1006658469 /nfs/dbraw/zinc/65/84/69/1006658469.db2.gz KSMQVKADSVYCPT-LJQANCHMSA-N 2 1 413.537 3.528 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000534683482 1006662071 /nfs/dbraw/zinc/66/20/71/1006662071.db2.gz VJOYCUNBAZSISJ-GPXOXTDOSA-N 2 1 420.601 3.985 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000534683482 1006662074 /nfs/dbraw/zinc/66/20/74/1006662074.db2.gz VJOYCUNBAZSISJ-GPXOXTDOSA-N 2 1 420.601 3.985 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000534683482 1006662083 /nfs/dbraw/zinc/66/20/83/1006662083.db2.gz VJOYCUNBAZSISJ-GPXOXTDOSA-N 2 1 420.601 3.985 20 0 HHADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cnn(Cc2ccccc2)c1 ZINC000532187963 1006706302 /nfs/dbraw/zinc/70/63/02/1006706302.db2.gz PKHVGLARDOOCRJ-UGKGYDQZSA-N 2 1 409.603 3.632 20 0 HHADMP CC(=O)c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000515874121 1006729893 /nfs/dbraw/zinc/72/98/93/1006729893.db2.gz FDENRCGDCCAHII-NTKDMRAZSA-N 2 1 410.558 3.651 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)c1cccs1 ZINC000534789541 1006790738 /nfs/dbraw/zinc/79/07/38/1006790738.db2.gz OCRQWPNARMCBHE-LMMKCTJWSA-N 2 1 406.983 3.749 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)c1cccs1 ZINC000534789541 1006790745 /nfs/dbraw/zinc/79/07/45/1006790745.db2.gz OCRQWPNARMCBHE-LMMKCTJWSA-N 2 1 406.983 3.749 20 0 HHADMP CC(C)[NH+]1CCN(c2cccc(N[C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)c2)CC1 ZINC000538546751 1006809110 /nfs/dbraw/zinc/80/91/10/1006809110.db2.gz QGMDJYQVNZDZMB-BWKNWUBXSA-N 2 1 407.606 3.935 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000532394822 1006842451 /nfs/dbraw/zinc/84/24/51/1006842451.db2.gz VWAIMJHOONUARS-RMNGQBEXSA-N 2 1 414.638 3.905 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000532394822 1006842466 /nfs/dbraw/zinc/84/24/66/1006842466.db2.gz VWAIMJHOONUARS-RMNGQBEXSA-N 2 1 414.638 3.905 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000532394822 1006842475 /nfs/dbraw/zinc/84/24/75/1006842475.db2.gz VWAIMJHOONUARS-RMNGQBEXSA-N 2 1 414.638 3.905 20 0 HHADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H](CCc3ccccc3)c3ccccc3)cn2)CC1 ZINC000532394292 1006842793 /nfs/dbraw/zinc/84/27/93/1006842793.db2.gz YRNHWMTZTBJOBT-XMMPIXPASA-N 2 1 401.558 3.692 20 0 HHADMP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000532440749 1006882915 /nfs/dbraw/zinc/88/29/15/1006882915.db2.gz YDQJRTPFVGTBLY-GOSISDBHSA-N 2 1 407.624 3.775 20 0 HHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000532446383 1006889005 /nfs/dbraw/zinc/88/90/05/1006889005.db2.gz RVACZPKDZPOAFP-LJQANCHMSA-N 2 1 406.574 3.560 20 0 HHADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000532452576 1006895091 /nfs/dbraw/zinc/89/50/91/1006895091.db2.gz KGRKUBHNTDHPLF-LJQANCHMSA-N 2 1 407.624 3.632 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1c(F)cc(Cl)c(C)c1F ZINC000534910471 1006943664 /nfs/dbraw/zinc/94/36/64/1006943664.db2.gz VGVRRFDTZYPVRS-CQSZACIVSA-N 2 1 402.917 3.806 20 0 HHADMP C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000538723156 1006999307 /nfs/dbraw/zinc/99/93/07/1006999307.db2.gz MYMNCWUFCGEWDG-OFNKIYASSA-N 2 1 409.622 3.628 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000538723156 1006999315 /nfs/dbraw/zinc/99/93/15/1006999315.db2.gz MYMNCWUFCGEWDG-OFNKIYASSA-N 2 1 409.622 3.628 20 0 HHADMP COc1ccccc1[C@@H]1CC[N@@H+](CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C1 ZINC000532579332 1007013093 /nfs/dbraw/zinc/01/30/93/1007013093.db2.gz STYIRJDZOLWUSN-HSZRJFAPSA-N 2 1 421.585 3.527 20 0 HHADMP COc1ccccc1[C@@H]1CC[NH+](CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)C1 ZINC000532579332 1007013104 /nfs/dbraw/zinc/01/31/04/1007013104.db2.gz STYIRJDZOLWUSN-HSZRJFAPSA-N 2 1 421.585 3.527 20 0 HHADMP COc1ccccc1[C@@H]1CC[NH+](CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)C1 ZINC000532579332 1007013117 /nfs/dbraw/zinc/01/31/17/1007013117.db2.gz STYIRJDZOLWUSN-HSZRJFAPSA-N 2 1 421.585 3.527 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000516325684 1007016243 /nfs/dbraw/zinc/01/62/43/1007016243.db2.gz UNCDNKFBNPKYEH-OYRHEFFESA-N 2 1 401.595 3.538 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000516325684 1007016255 /nfs/dbraw/zinc/01/62/55/1007016255.db2.gz UNCDNKFBNPKYEH-OYRHEFFESA-N 2 1 401.595 3.538 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534969393 1007024447 /nfs/dbraw/zinc/02/44/47/1007024447.db2.gz RIMHPWYARNJNTK-DYESRHJHSA-N 2 1 422.976 3.646 20 0 HHADMP CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534971355 1007027461 /nfs/dbraw/zinc/02/74/61/1007027461.db2.gz NEQBLDXFNHGDFQ-OXJNMPFZSA-N 2 1 410.965 3.644 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000535036057 1007075277 /nfs/dbraw/zinc/07/52/77/1007075277.db2.gz JRRNIIFFYPLTHX-RTWAWAEBSA-N 2 1 406.574 3.728 20 0 HHADMP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000516509088 1007118869 /nfs/dbraw/zinc/11/88/69/1007118869.db2.gz UWBVHHHFWNWPMA-GOSISDBHSA-N 2 1 420.351 3.788 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000516579002 1007165529 /nfs/dbraw/zinc/16/55/29/1007165529.db2.gz FLKUGAYFPLNOKE-DVECYGJZSA-N 2 1 424.564 3.925 20 0 HHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC1)CC1CC1 ZINC000538909629 1007193270 /nfs/dbraw/zinc/19/32/70/1007193270.db2.gz XABQHAYLYLSXBO-HSZRJFAPSA-N 2 1 418.601 3.972 20 0 HHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1)CC1CC1 ZINC000538914110 1007197992 /nfs/dbraw/zinc/19/79/92/1007197992.db2.gz USKZQTJGQRSCHU-JOCHJYFZSA-N 2 1 416.610 3.960 20 0 HHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000535181587 1007227455 /nfs/dbraw/zinc/22/74/55/1007227455.db2.gz MLRHASKSTYBFRI-HYBUGGRVSA-N 2 1 412.622 3.934 20 0 HHADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000516684189 1007230977 /nfs/dbraw/zinc/23/09/77/1007230977.db2.gz BKKYLQULDWEEAM-RBUKOAKNSA-N 2 1 407.002 3.678 20 0 HHADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000516684189 1007230986 /nfs/dbraw/zinc/23/09/86/1007230986.db2.gz BKKYLQULDWEEAM-RBUKOAKNSA-N 2 1 407.002 3.678 20 0 HHADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000516684189 1007230996 /nfs/dbraw/zinc/23/09/96/1007230996.db2.gz BKKYLQULDWEEAM-RBUKOAKNSA-N 2 1 407.002 3.678 20 0 HHADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000516684189 1007231006 /nfs/dbraw/zinc/23/10/06/1007231006.db2.gz BKKYLQULDWEEAM-RBUKOAKNSA-N 2 1 407.002 3.678 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+](CCc2nc3sc4c(c3c(N)n2)CCCC4)CC1 ZINC000538967305 1007257708 /nfs/dbraw/zinc/25/77/08/1007257708.db2.gz DPVHQGNRXRJCSL-UHFFFAOYSA-N 2 1 401.624 3.747 20 0 HHADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000535302028 1007353466 /nfs/dbraw/zinc/35/34/66/1007353466.db2.gz KBUGDFQRFMZHPP-QFIPXVFZSA-N 2 1 410.587 3.586 20 0 HHADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000535302028 1007353480 /nfs/dbraw/zinc/35/34/80/1007353480.db2.gz KBUGDFQRFMZHPP-QFIPXVFZSA-N 2 1 410.587 3.586 20 0 HHADMP CC[NH+](CC)CCOc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000535341894 1007395337 /nfs/dbraw/zinc/39/53/37/1007395337.db2.gz XMJFVLMSQSXGQZ-DNQXCXABSA-N 2 1 424.589 3.652 20 0 HHADMP COC(=O)c1oc([C@H](C)[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1C ZINC000539250042 1007542124 /nfs/dbraw/zinc/54/21/24/1007542124.db2.gz UWVPWCVDKZUYBT-SFHVURJKSA-N 2 1 405.583 3.564 20 0 HHADMP C[NH+]1CC[C@@H](NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000535503185 1007558784 /nfs/dbraw/zinc/55/87/84/1007558784.db2.gz DXEDEZHANDBSJM-CBPXPLCBSA-N 2 1 412.965 3.830 20 0 HHADMP C[NH+]1CC[C@@H](NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000535503185 1007558798 /nfs/dbraw/zinc/55/87/98/1007558798.db2.gz DXEDEZHANDBSJM-CBPXPLCBSA-N 2 1 412.965 3.830 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000535503185 1007558808 /nfs/dbraw/zinc/55/88/08/1007558808.db2.gz DXEDEZHANDBSJM-CBPXPLCBSA-N 2 1 412.965 3.830 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000535503185 1007558819 /nfs/dbraw/zinc/55/88/19/1007558819.db2.gz DXEDEZHANDBSJM-CBPXPLCBSA-N 2 1 412.965 3.830 20 0 HHADMP C[NH+]1CC[C@@H](NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000535503187 1007559425 /nfs/dbraw/zinc/55/94/25/1007559425.db2.gz DXEDEZHANDBSJM-DXBBTUNJSA-N 2 1 412.965 3.830 20 0 HHADMP C[NH+]1CC[C@@H](NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000535503187 1007559436 /nfs/dbraw/zinc/55/94/36/1007559436.db2.gz DXEDEZHANDBSJM-DXBBTUNJSA-N 2 1 412.965 3.830 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000535503187 1007559442 /nfs/dbraw/zinc/55/94/42/1007559442.db2.gz DXEDEZHANDBSJM-DXBBTUNJSA-N 2 1 412.965 3.830 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000535503187 1007559451 /nfs/dbraw/zinc/55/94/51/1007559451.db2.gz DXEDEZHANDBSJM-DXBBTUNJSA-N 2 1 412.965 3.830 20 0 HHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2c1cc(Br)cc2Cl ZINC000535508657 1007564169 /nfs/dbraw/zinc/56/41/69/1007564169.db2.gz RRBKQBQDPXOMSR-KDOFPFPSSA-N 2 1 401.776 3.916 20 0 HHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCC(=O)Nc3ccccc3Oc3ccccc3)C2)CC1 ZINC000533282351 1007595553 /nfs/dbraw/zinc/59/55/53/1007595553.db2.gz MRLFHVVBEYGLFV-OAQYLSRUSA-N 2 1 422.573 3.519 20 0 HHADMP CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2csc(N(C)C3CC3)n2)CC1 ZINC000539315704 1007615100 /nfs/dbraw/zinc/61/51/00/1007615100.db2.gz YANSBDXOVAXMBP-INIZCTEOSA-N 2 1 417.598 3.874 20 0 HHADMP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000539363400 1007665217 /nfs/dbraw/zinc/66/52/17/1007665217.db2.gz VSMLVCFWJMMVCP-UXHICEINSA-N 2 1 400.588 3.871 20 0 HHADMP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000539363400 1007665222 /nfs/dbraw/zinc/66/52/22/1007665222.db2.gz VSMLVCFWJMMVCP-UXHICEINSA-N 2 1 400.588 3.871 20 0 HHADMP C[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C[NH+]1CCCCC1 ZINC000535654034 1007665562 /nfs/dbraw/zinc/66/55/62/1007665562.db2.gz DPUXVXZWEOHEKY-MMOPVJDHSA-N 2 1 424.992 3.893 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C(=O)N1c1ccccc1 ZINC000539393254 1007698923 /nfs/dbraw/zinc/69/89/23/1007698923.db2.gz SATZVJOUZUAUKP-QIJUGHKUSA-N 2 1 405.542 3.758 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)N2CCC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535700514 1007737331 /nfs/dbraw/zinc/73/73/31/1007737331.db2.gz NAZBWOMAJNEIKU-XLIONFOSSA-N 2 1 424.992 3.988 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535700514 1007737343 /nfs/dbraw/zinc/73/73/43/1007737343.db2.gz NAZBWOMAJNEIKU-XLIONFOSSA-N 2 1 424.992 3.988 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535700514 1007737353 /nfs/dbraw/zinc/73/73/53/1007737353.db2.gz NAZBWOMAJNEIKU-XLIONFOSSA-N 2 1 424.992 3.988 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)NCCC[NH+]2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535703409 1007741074 /nfs/dbraw/zinc/74/10/74/1007741074.db2.gz ZMBHMIIQHATOPI-YLJYHZDGSA-N 2 1 410.965 3.647 20 0 HHADMP CC[N@@H+]1CC[C@H]([NH+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C[C@H]1C ZINC000533447086 1007761421 /nfs/dbraw/zinc/76/14/21/1007761421.db2.gz XFIJJTNYBRSGDM-XHSDSOJGSA-N 2 1 401.624 3.745 20 0 HHADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C[C@H]1C ZINC000533447086 1007761447 /nfs/dbraw/zinc/76/14/47/1007761447.db2.gz XFIJJTNYBRSGDM-XHSDSOJGSA-N 2 1 401.624 3.745 20 0 HHADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C[C@H]1C ZINC000533447086 1007761460 /nfs/dbraw/zinc/76/14/60/1007761460.db2.gz XFIJJTNYBRSGDM-XHSDSOJGSA-N 2 1 401.624 3.745 20 0 HHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C[C@H]1C ZINC000533447086 1007761468 /nfs/dbraw/zinc/76/14/68/1007761468.db2.gz XFIJJTNYBRSGDM-XHSDSOJGSA-N 2 1 401.624 3.745 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)[C@@H](C)C1 ZINC000533458284 1007770141 /nfs/dbraw/zinc/77/01/41/1007770141.db2.gz KTZYLQGWSHYDEM-YYWHXJBOSA-N 2 1 407.002 3.849 20 0 HHADMP C[NH+](C)CCOc1cccc(NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000517574808 1007779357 /nfs/dbraw/zinc/77/93/57/1007779357.db2.gz WLJHMTVDVDBYAK-NRFANRHFSA-N 2 1 402.583 3.793 20 0 HHADMP Cc1cccc(NC2CC[NH+]([C@H](C)C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000533530926 1007851434 /nfs/dbraw/zinc/85/14/34/1007851434.db2.gz SNRVCHLPWDKWMC-PXDATVDWSA-N 2 1 420.601 3.651 20 0 HHADMP Cc1cccc(NC2CC[NH+]([C@H](C)C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000533530926 1007851447 /nfs/dbraw/zinc/85/14/47/1007851447.db2.gz SNRVCHLPWDKWMC-PXDATVDWSA-N 2 1 420.601 3.651 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCCSc2ccc(Cl)cc2)CC1 ZINC000517652679 1007865339 /nfs/dbraw/zinc/86/53/39/1007865339.db2.gz LPTAANHHWMOSGM-UHFFFAOYSA-N 2 1 404.967 3.998 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)cc2)C1 ZINC000535942103 1007974121 /nfs/dbraw/zinc/97/41/21/1007974121.db2.gz FTTBULVVPPTDIE-YKSBVNFPSA-N 2 1 412.622 3.792 20 0 HHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000535943019 1007975942 /nfs/dbraw/zinc/97/59/42/1007975942.db2.gz JGWCXSQBEAQTLD-GBXCKJPGSA-N 2 1 412.622 3.934 20 0 HHADMP COc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)[NH+]2CCCCC2)cc1 ZINC000517884298 1008028344 /nfs/dbraw/zinc/02/83/44/1008028344.db2.gz NVNBHBXJHNEJAY-OFNKIYASSA-N 2 1 416.610 3.642 20 0 HHADMP CCN(CC)c1ncc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000539823533 1008117299 /nfs/dbraw/zinc/11/72/99/1008117299.db2.gz KRRHEGPSFUQITI-UHFFFAOYSA-N 2 1 407.672 3.617 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)C[NH+]1Cc1ccccc1 ZINC000533847013 1008153906 /nfs/dbraw/zinc/15/39/06/1008153906.db2.gz FXARSSFQZALBNF-ZYKOEDHHSA-N 2 1 406.574 3.773 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)C[NH+]1Cc1ccccc1 ZINC000533847013 1008153908 /nfs/dbraw/zinc/15/39/08/1008153908.db2.gz FXARSSFQZALBNF-ZYKOEDHHSA-N 2 1 406.574 3.773 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N[C@H]2C[NH+](C)Cc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC000533847013 1008153914 /nfs/dbraw/zinc/15/39/14/1008153914.db2.gz FXARSSFQZALBNF-ZYKOEDHHSA-N 2 1 406.574 3.773 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N[C@H]2C[NH+](C)Cc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000533847013 1008153918 /nfs/dbraw/zinc/15/39/18/1008153918.db2.gz FXARSSFQZALBNF-ZYKOEDHHSA-N 2 1 406.574 3.773 20 0 HHADMP C[C@@H]1C[N@@H+]([C@H]2CCCc3ccc(Br)cc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000539886765 1008162577 /nfs/dbraw/zinc/16/25/77/1008162577.db2.gz OCBQCVVSOHCIIJ-CZAAIQMYSA-N 2 1 406.412 3.784 20 0 HHADMP C[C@@H]1C[N@H+]([C@H]2CCCc3ccc(Br)cc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000539886765 1008162582 /nfs/dbraw/zinc/16/25/82/1008162582.db2.gz OCBQCVVSOHCIIJ-CZAAIQMYSA-N 2 1 406.412 3.784 20 0 HHADMP C[C@@H](CNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000539946198 1008199216 /nfs/dbraw/zinc/19/92/16/1008199216.db2.gz JEAVJMHWGANVSN-NRFANRHFSA-N 2 1 423.605 3.850 20 0 HHADMP CC[NH+]1CCN(C(=O)Cc2ccc(N[C@@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)cc2)CC1 ZINC000539957346 1008205281 /nfs/dbraw/zinc/20/52/81/1008205281.db2.gz YOJZLUFVSFQZQL-SQJMNOBHSA-N 2 1 420.601 3.641 20 0 HHADMP CC[NH+]1CCN(C(=O)Cc2ccc(N[C@@H]3CC[N@H+]([C@@H](C)c4ccccc4)C3)cc2)CC1 ZINC000539957346 1008205286 /nfs/dbraw/zinc/20/52/86/1008205286.db2.gz YOJZLUFVSFQZQL-SQJMNOBHSA-N 2 1 420.601 3.641 20 0 HHADMP CC[N@H+](CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000518240144 1008221477 /nfs/dbraw/zinc/22/14/77/1008221477.db2.gz SEPRQEKYLOQSGB-UHFFFAOYSA-N 2 1 413.393 3.741 20 0 HHADMP CC[N@@H+](CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000518240144 1008221482 /nfs/dbraw/zinc/22/14/82/1008221482.db2.gz SEPRQEKYLOQSGB-UHFFFAOYSA-N 2 1 413.393 3.741 20 0 HHADMP CC(C)OC(=O)Cc1nc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000540046282 1008255629 /nfs/dbraw/zinc/25/56/29/1008255629.db2.gz GRCQPOABNJHJQR-UHFFFAOYSA-N 2 1 416.591 3.771 20 0 HHADMP CC(C)OC(=O)Cc1nc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000540046282 1008255633 /nfs/dbraw/zinc/25/56/33/1008255633.db2.gz GRCQPOABNJHJQR-UHFFFAOYSA-N 2 1 416.591 3.771 20 0 HHADMP c1cc(C[NH+]2CCCC2)cc(-c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)c1 ZINC000518343592 1008269752 /nfs/dbraw/zinc/26/97/52/1008269752.db2.gz LRYWQKZOWDAMSV-UHFFFAOYSA-N 2 1 404.514 3.832 20 0 HHADMP C[C@H](c1ccc(NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000518385344 1008283867 /nfs/dbraw/zinc/28/38/67/1008283867.db2.gz RWROMZKVBBHCHZ-VGSWGCGISA-N 2 1 414.525 3.643 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000540158580 1008315795 /nfs/dbraw/zinc/31/57/95/1008315795.db2.gz ZREGZBBGXIMAKL-VUCTXSBTSA-N 2 1 420.447 3.918 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)[C@@H](C)C1 ZINC000540166347 1008319052 /nfs/dbraw/zinc/31/90/52/1008319052.db2.gz BSIAYKVNKGJMAY-LPHOPBHVSA-N 2 1 406.958 3.659 20 0 HHADMP C[C@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000518490292 1008326330 /nfs/dbraw/zinc/32/63/30/1008326330.db2.gz FAUPQIBNEPKJNK-OAHLLOKOSA-N 2 1 406.452 3.985 20 0 HHADMP O=C(CCc1ccccc1)N1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000540191396 1008329358 /nfs/dbraw/zinc/32/93/58/1008329358.db2.gz MRWJFIJYMSNKFV-UHFFFAOYSA-N 2 1 405.586 3.864 20 0 HHADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)CC1)CC(C)C ZINC000540197064 1008332247 /nfs/dbraw/zinc/33/22/47/1008332247.db2.gz CTJSYSLQGDYKIP-UHFFFAOYSA-N 2 1 404.986 3.928 20 0 HHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCCOc3cccc(Cl)c3)CC2)C[C@@H](C)O1 ZINC000540244037 1008350517 /nfs/dbraw/zinc/35/05/17/1008350517.db2.gz GHDDOYFXGGZRPS-RTBURBONSA-N 2 1 410.986 3.699 20 0 HHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3cc(-c4ccc(F)cc4)no3)CC2)C[C@@H](C)O1 ZINC000540245250 1008350654 /nfs/dbraw/zinc/35/06/54/1008350654.db2.gz PZMFSLOLFJXFRQ-QZTJIDSGSA-N 2 1 417.525 3.571 20 0 HHADMP COc1cc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ccc1SC ZINC000540244631 1008350716 /nfs/dbraw/zinc/35/07/16/1008350716.db2.gz CQRVLWQATFCPAB-QZTJIDSGSA-N 2 1 408.608 3.507 20 0 HHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)C[C@@H](C)O1 ZINC000540246012 1008351017 /nfs/dbraw/zinc/35/10/17/1008351017.db2.gz BXWKYZGROCSWPD-IAGOWNOFSA-N 2 1 400.485 3.796 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc(C(=O)OC)oc2C)CC1 ZINC000540407938 1008420342 /nfs/dbraw/zinc/42/03/42/1008420342.db2.gz DMKPMXKFQWXMPZ-OAHLLOKOSA-N 2 1 403.498 3.506 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000540466877 1008442727 /nfs/dbraw/zinc/44/27/27/1008442727.db2.gz NLRXYVKXAWHRGG-JKSBSHDWSA-N 2 1 404.514 3.860 20 0 HHADMP Cn1ccc([C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c2ccc(F)cc2)n1 ZINC000540493040 1008453851 /nfs/dbraw/zinc/45/38/51/1008453851.db2.gz QFAGVWMDNYVEEV-RUZDIDTESA-N 2 1 421.564 3.841 20 0 HHADMP CC[N@H+](CC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1)C(C)C ZINC000545457282 1008569105 /nfs/dbraw/zinc/56/91/05/1008569105.db2.gz BWCRDHFBWJTKQO-UHFFFAOYSA-N 2 1 410.400 3.682 20 0 HHADMP CC[N@@H+](CC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1)C(C)C ZINC000545457282 1008569111 /nfs/dbraw/zinc/56/91/11/1008569111.db2.gz BWCRDHFBWJTKQO-UHFFFAOYSA-N 2 1 410.400 3.682 20 0 HHADMP CCN(C(=O)c1ccc(C[NH+]2CCSCC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000545476166 1008581991 /nfs/dbraw/zinc/58/19/91/1008581991.db2.gz MFRGMLAMJFLVLD-DEOSSOPVSA-N 2 1 423.626 3.972 20 0 HHADMP CCCOc1cccc(CNC(=O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000549164047 1008735278 /nfs/dbraw/zinc/73/52/78/1008735278.db2.gz CHUJWZBXTJHENG-XMMPIXPASA-N 2 1 423.601 3.982 20 0 HHADMP CCCOc1cccc(CNC(=O)C[NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)c1 ZINC000549164047 1008735293 /nfs/dbraw/zinc/73/52/93/1008735293.db2.gz CHUJWZBXTJHENG-XMMPIXPASA-N 2 1 423.601 3.982 20 0 HHADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](c3ccccc3)[C@@H]2c2cccc(OC)c2)CC1 ZINC000543190679 1008763532 /nfs/dbraw/zinc/76/35/32/1008763532.db2.gz UYSSWIRDEBVDFZ-RSXGOPAZSA-N 2 1 421.585 3.826 20 0 HHADMP Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000545868447 1008956756 /nfs/dbraw/zinc/95/67/56/1008956756.db2.gz MZGWSKGSZJFJCF-KZULUSFZSA-N 2 1 410.381 3.598 20 0 HHADMP Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000545868447 1008956766 /nfs/dbraw/zinc/95/67/66/1008956766.db2.gz MZGWSKGSZJFJCF-KZULUSFZSA-N 2 1 410.381 3.598 20 0 HHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000543396061 1008987403 /nfs/dbraw/zinc/98/74/03/1008987403.db2.gz AYWFVQMZYUYEDZ-QFIPXVFZSA-N 2 1 404.518 3.752 20 0 HHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000543396061 1008987422 /nfs/dbraw/zinc/98/74/22/1008987422.db2.gz AYWFVQMZYUYEDZ-QFIPXVFZSA-N 2 1 404.518 3.752 20 0 HHADMP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000543405213 1008998585 /nfs/dbraw/zinc/99/85/85/1008998585.db2.gz YMNYKFPOZSWZTL-AZGAKELHSA-N 2 1 407.602 3.523 20 0 HHADMP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000543405213 1008998602 /nfs/dbraw/zinc/99/86/02/1008998602.db2.gz YMNYKFPOZSWZTL-AZGAKELHSA-N 2 1 407.602 3.523 20 0 HHADMP C[C@H]([NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543460034 1009044139 /nfs/dbraw/zinc/04/41/39/1009044139.db2.gz GHVSZNLYWPTAIO-DAYGRLMNSA-N 2 1 401.378 3.976 20 0 HHADMP C[C@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543459996 1009044260 /nfs/dbraw/zinc/04/42/60/1009044260.db2.gz FOLAJSXTUSOHRO-WFXMLNOXSA-N 2 1 424.545 3.793 20 0 HHADMP C[C@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543459996 1009044278 /nfs/dbraw/zinc/04/42/78/1009044278.db2.gz FOLAJSXTUSOHRO-WFXMLNOXSA-N 2 1 424.545 3.793 20 0 HHADMP C[C@@H](NCCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000543459922 1009045431 /nfs/dbraw/zinc/04/54/31/1009045431.db2.gz GXWPTFVXFJZKIL-BJESRGMDSA-N 3 1 404.687 3.862 20 0 HHADMP C[C@@H](NCCC[NH2+][C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543459922 1009045446 /nfs/dbraw/zinc/04/54/46/1009045446.db2.gz GXWPTFVXFJZKIL-BJESRGMDSA-N 4 1 404.687 3.862 20 0 HHADMP C[C@@H](NCCC[NH2+][C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543459922 1009045456 /nfs/dbraw/zinc/04/54/56/1009045456.db2.gz GXWPTFVXFJZKIL-BJESRGMDSA-N 4 1 404.687 3.862 20 0 HHADMP C[C@@H]([NH2+]CCCN[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543459922 1009045475 /nfs/dbraw/zinc/04/54/75/1009045475.db2.gz GXWPTFVXFJZKIL-BJESRGMDSA-N 4 1 404.687 3.862 20 0 HHADMP C[C@@H]([NH2+]CCCN[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543459922 1009045491 /nfs/dbraw/zinc/04/54/91/1009045491.db2.gz GXWPTFVXFJZKIL-BJESRGMDSA-N 4 1 404.687 3.862 20 0 HHADMP C[C@@H]([NH2+]CCCN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000543459922 1009045506 /nfs/dbraw/zinc/04/55/06/1009045506.db2.gz GXWPTFVXFJZKIL-BJESRGMDSA-N 3 1 404.687 3.862 20 0 HHADMP C[C@@H]([NH2+]CCCN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000543459922 1009045518 /nfs/dbraw/zinc/04/55/18/1009045518.db2.gz GXWPTFVXFJZKIL-BJESRGMDSA-N 3 1 404.687 3.862 20 0 HHADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000546009762 1009046093 /nfs/dbraw/zinc/04/60/93/1009046093.db2.gz SKWGTEZFYNXFHG-YADHBBJMSA-N 2 1 411.594 3.776 20 0 HHADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000546009762 1009046107 /nfs/dbraw/zinc/04/61/07/1009046107.db2.gz SKWGTEZFYNXFHG-YADHBBJMSA-N 2 1 411.594 3.776 20 0 HHADMP C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543461832 1009049830 /nfs/dbraw/zinc/04/98/30/1009049830.db2.gz TYQRNOFNMGTFCY-ZWKOTPCHSA-N 2 1 413.562 3.909 20 0 HHADMP C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543461832 1009049839 /nfs/dbraw/zinc/04/98/39/1009049839.db2.gz TYQRNOFNMGTFCY-ZWKOTPCHSA-N 2 1 413.562 3.909 20 0 HHADMP CC[C@@H]([NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1nc(C)cs1 ZINC000543486029 1009074970 /nfs/dbraw/zinc/07/49/70/1009074970.db2.gz RMIUUDLQVQKOCG-FXAWDEMLSA-N 2 1 400.592 3.662 20 0 HHADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549582906 1009209460 /nfs/dbraw/zinc/20/94/60/1009209460.db2.gz CLZZXDCRORGMSJ-JOCHJYFZSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1=O ZINC000549613827 1009241227 /nfs/dbraw/zinc/24/12/27/1009241227.db2.gz QFLCRRNOSGVXQT-VGOFRKELSA-N 2 1 410.537 3.900 20 0 HHADMP C[C@@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1=O ZINC000549613826 1009241728 /nfs/dbraw/zinc/24/17/28/1009241728.db2.gz QFLCRRNOSGVXQT-JTSKRJEESA-N 2 1 410.537 3.900 20 0 HHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000543765819 1009336229 /nfs/dbraw/zinc/33/62/29/1009336229.db2.gz OTKCHXMBQMELGZ-RUZDIDTESA-N 2 1 417.553 3.907 20 0 HHADMP CC(C)[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(F)c(F)c1 ZINC000543777709 1009345854 /nfs/dbraw/zinc/34/58/54/1009345854.db2.gz XTABOFRDQBLTPG-QFIPXVFZSA-N 2 1 401.501 3.839 20 0 HHADMP O=C(c1ccccc1)N1CC[C@H](C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000549718875 1009347173 /nfs/dbraw/zinc/34/71/73/1009347173.db2.gz FRFPJISJVGHJOP-PZUNEJSGSA-N 2 1 403.570 3.603 20 0 HHADMP O=C(c1ccccc1)N1CC[C@H](C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000549718875 1009347189 /nfs/dbraw/zinc/34/71/89/1009347189.db2.gz FRFPJISJVGHJOP-PZUNEJSGSA-N 2 1 403.570 3.603 20 0 HHADMP O=C(c1ccccc1)N1CC[C@H](C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000549718875 1009347205 /nfs/dbraw/zinc/34/72/05/1009347205.db2.gz FRFPJISJVGHJOP-PZUNEJSGSA-N 2 1 403.570 3.603 20 0 HHADMP COC(=O)c1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc(C(=O)OC)c1 ZINC000543813035 1009376086 /nfs/dbraw/zinc/37/60/86/1009376086.db2.gz NKWYVZPEXSDDIN-OAHLLOKOSA-N 2 1 407.470 3.605 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCCOc2cccc(C)c2)cc1 ZINC000543814728 1009378068 /nfs/dbraw/zinc/37/80/68/1009378068.db2.gz NYYIMWVCEDDMMI-RTBURBONSA-N 2 1 406.530 3.723 20 0 HHADMP CCc1oc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)cc1C(=O)OC ZINC000549798816 1009405699 /nfs/dbraw/zinc/40/56/99/1009405699.db2.gz WFNIFXWUINOXJS-INIZCTEOSA-N 2 1 417.525 3.760 20 0 HHADMP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000543996866 1009597430 /nfs/dbraw/zinc/59/74/30/1009597430.db2.gz QNTNWYYOYNHPCP-SQNIBIBYSA-N 2 1 400.567 3.605 20 0 HHADMP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000543996866 1009597437 /nfs/dbraw/zinc/59/74/37/1009597437.db2.gz QNTNWYYOYNHPCP-SQNIBIBYSA-N 2 1 400.567 3.605 20 0 HHADMP CC(C)N1C(=O)C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000544014788 1009616501 /nfs/dbraw/zinc/61/65/01/1009616501.db2.gz NOULMCWEWUFWQN-IRLDBZIGSA-N 2 1 407.961 3.994 20 0 HHADMP CC[C@H](C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)ccc1F)[NH+](CC)CC ZINC000546601356 1009623377 /nfs/dbraw/zinc/62/33/77/1009623377.db2.gz BQDQYHPSFHZPDU-OXQOHEQNSA-N 2 1 406.546 3.698 20 0 HHADMP CC[C@H](C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)ccc1F)[NH+](CC)CC ZINC000546601356 1009623389 /nfs/dbraw/zinc/62/33/89/1009623389.db2.gz BQDQYHPSFHZPDU-OXQOHEQNSA-N 2 1 406.546 3.698 20 0 HHADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)CC3 ZINC000546612961 1009629659 /nfs/dbraw/zinc/62/96/59/1009629659.db2.gz ODHJNIGKIWREOG-DCLXLUIPSA-N 2 1 419.569 3.506 20 0 HHADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)CC3 ZINC000546612961 1009629666 /nfs/dbraw/zinc/62/96/66/1009629666.db2.gz ODHJNIGKIWREOG-DCLXLUIPSA-N 2 1 419.569 3.506 20 0 HHADMP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000546659827 1009659253 /nfs/dbraw/zinc/65/92/53/1009659253.db2.gz AILHDQZUBHGMGV-BHGTWAMESA-N 2 1 417.553 3.846 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000546660819 1009660340 /nfs/dbraw/zinc/66/03/40/1009660340.db2.gz OWPHEPNGFFKARH-SVFBPWRDSA-N 2 1 405.542 3.704 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000546660819 1009660346 /nfs/dbraw/zinc/66/03/46/1009660346.db2.gz OWPHEPNGFFKARH-SVFBPWRDSA-N 2 1 405.542 3.704 20 0 HHADMP CC(C)[NH+]1CCC(N2CC[NH+](CCCc3ccccc3Br)CC2)CC1 ZINC000544067974 1009670690 /nfs/dbraw/zinc/67/06/90/1009670690.db2.gz WXNOSBLOJMHNPP-UHFFFAOYSA-N 2 1 408.428 3.872 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)C1 ZINC000520613113 1009689013 /nfs/dbraw/zinc/68/90/13/1009689013.db2.gz RNAFPBWXBQDZTO-LEWJYISDSA-N 2 1 400.611 3.981 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000520613113 1009689021 /nfs/dbraw/zinc/68/90/21/1009689021.db2.gz RNAFPBWXBQDZTO-LEWJYISDSA-N 2 1 400.611 3.981 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000520613113 1009689034 /nfs/dbraw/zinc/68/90/34/1009689034.db2.gz RNAFPBWXBQDZTO-LEWJYISDSA-N 2 1 400.611 3.981 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)C1 ZINC000520613708 1009689949 /nfs/dbraw/zinc/68/99/49/1009689949.db2.gz BOUOQGQWFXFBBU-NZQKXSOJSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000520613708 1009689956 /nfs/dbraw/zinc/68/99/56/1009689956.db2.gz BOUOQGQWFXFBBU-NZQKXSOJSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000520613708 1009689970 /nfs/dbraw/zinc/68/99/70/1009689970.db2.gz BOUOQGQWFXFBBU-NZQKXSOJSA-N 2 1 400.611 3.838 20 0 HHADMP Cc1cc(N2CCC([NH2+][C@H]3CCc4cccc(Br)c4C3)CC2)nc(C)[nH+]1 ZINC000550174365 1009752111 /nfs/dbraw/zinc/75/21/11/1009752111.db2.gz MUNRUECCQPTKCF-SFHVURJKSA-N 2 1 415.379 3.972 20 0 HHADMP CC[C@H]1CN(C(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000546853500 1009815199 /nfs/dbraw/zinc/81/51/99/1009815199.db2.gz BADZJHYBHFPKEH-NRFANRHFSA-N 2 1 424.593 3.587 20 0 HHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nnc(-c4cccc(Cl)c4)o3)CC2)C[C@H](C)O1 ZINC000520747741 1009817321 /nfs/dbraw/zinc/81/73/21/1009817321.db2.gz VLVQAKPEOXWDCW-IYBDPMFKSA-N 2 1 404.942 3.711 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nnc(-c4cccc(Cl)c4)o3)CC2)C[C@H](C)O1 ZINC000520747741 1009817333 /nfs/dbraw/zinc/81/73/33/1009817333.db2.gz VLVQAKPEOXWDCW-IYBDPMFKSA-N 2 1 404.942 3.711 20 0 HHADMP C[NH+](C)CCCOC1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000544224048 1009833115 /nfs/dbraw/zinc/83/31/15/1009833115.db2.gz XBWDMLKMRAVGOE-UHFFFAOYSA-N 2 1 423.601 3.892 20 0 HHADMP C[NH+](C)C1(CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)Cc2ccccc2C1 ZINC000544236730 1009848602 /nfs/dbraw/zinc/84/86/02/1009848602.db2.gz OQXXKTRQWUXLQT-HXUWFJFHSA-N 2 1 420.601 3.709 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3c(Cl)ccc4cccnc43)CC2)CC1 ZINC000520906313 1009960559 /nfs/dbraw/zinc/96/05/59/1009960559.db2.gz UQNPKPRJSQZNQA-UHFFFAOYSA-N 2 1 414.981 3.654 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000520983276 1010023435 /nfs/dbraw/zinc/02/34/35/1010023435.db2.gz GMQWMEILJAHEJM-HSALFYBXSA-N 2 1 411.594 3.805 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000520983276 1010023452 /nfs/dbraw/zinc/02/34/52/1010023452.db2.gz GMQWMEILJAHEJM-HSALFYBXSA-N 2 1 411.594 3.805 20 0 HHADMP Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544420229 1010037056 /nfs/dbraw/zinc/03/70/56/1010037056.db2.gz YOZCJKWADQJITA-WIYYLYMNSA-N 2 1 423.605 3.979 20 0 HHADMP Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544420229 1010037072 /nfs/dbraw/zinc/03/70/72/1010037072.db2.gz YOZCJKWADQJITA-WIYYLYMNSA-N 2 1 423.605 3.979 20 0 HHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000544424316 1010046821 /nfs/dbraw/zinc/04/68/21/1010046821.db2.gz JTXWEHMBPYRQRB-FHWLQOOXSA-N 2 1 422.013 3.808 20 0 HHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000544424316 1010046837 /nfs/dbraw/zinc/04/68/37/1010046837.db2.gz JTXWEHMBPYRQRB-FHWLQOOXSA-N 2 1 422.013 3.808 20 0 HHADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)[C@H](n2cncn2)C1 ZINC000550882966 1010240193 /nfs/dbraw/zinc/24/01/93/1010240193.db2.gz UHAZVIASYNNCIX-CAUSLRQDSA-N 2 1 423.605 3.526 20 0 HHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)C[C@@H]1c1ccccc1 ZINC000551009202 1010314639 /nfs/dbraw/zinc/31/46/39/1010314639.db2.gz RHRRVUQPSSDOEE-QKNQBKEWSA-N 2 1 408.464 3.870 20 0 HHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)C[C@@H]1c1ccccc1 ZINC000551009202 1010314650 /nfs/dbraw/zinc/31/46/50/1010314650.db2.gz RHRRVUQPSSDOEE-QKNQBKEWSA-N 2 1 408.464 3.870 20 0 HHADMP Cc1nc2ccccn2c(=O)c1CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000551092687 1010361059 /nfs/dbraw/zinc/36/10/59/1010361059.db2.gz ACYALJMOCGXOQB-UGKGYDQZSA-N 2 1 404.558 3.530 20 0 HHADMP Cc1nc2ccccn2c(=O)c1CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000551092687 1010361071 /nfs/dbraw/zinc/36/10/71/1010361071.db2.gz ACYALJMOCGXOQB-UGKGYDQZSA-N 2 1 404.558 3.530 20 0 HHADMP Cc1nc2ccccn2c(=O)c1CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000551092687 1010361081 /nfs/dbraw/zinc/36/10/81/1010361081.db2.gz ACYALJMOCGXOQB-UGKGYDQZSA-N 2 1 404.558 3.530 20 0 HHADMP Cc1nc2ccccn2c(=O)c1CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000551092687 1010361086 /nfs/dbraw/zinc/36/10/86/1010361086.db2.gz ACYALJMOCGXOQB-UGKGYDQZSA-N 2 1 404.558 3.530 20 0 HHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000547758543 1010416368 /nfs/dbraw/zinc/41/63/68/1010416368.db2.gz PRQZCMZKVOTXLU-UHFFFAOYSA-N 2 1 409.496 3.757 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000551266606 1010483179 /nfs/dbraw/zinc/48/31/79/1010483179.db2.gz AEVBIHBDVAMXDC-MRXNPFEDSA-N 2 1 406.368 3.629 20 0 HHADMP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000521685867 1010549599 /nfs/dbraw/zinc/54/95/99/1010549599.db2.gz FQTNAVJWYONOOP-UHFFFAOYSA-N 2 1 410.553 3.693 20 0 HHADMP CCCN(C(=O)CC[N@H+](C)C1CCCCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000548393075 1010612018 /nfs/dbraw/zinc/61/20/18/1010612018.db2.gz KBRVUUALYOKDNX-UHFFFAOYSA-N 2 1 415.626 3.955 20 0 HHADMP CCCN(C(=O)CC[N@@H+](C)C1CCCCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000548393075 1010612027 /nfs/dbraw/zinc/61/20/27/1010612027.db2.gz KBRVUUALYOKDNX-UHFFFAOYSA-N 2 1 415.626 3.955 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCOc3ccc(C(C)C)c(C)c3)CC2)CC1 ZINC000521783138 1010615331 /nfs/dbraw/zinc/61/53/31/1010615331.db2.gz HCRTYSCUBMENGH-UHFFFAOYSA-N 2 1 415.622 3.763 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3ccc(C[NH+]4CCCC4)cc3)cc2)C[C@H](C)O1 ZINC000548410210 1010617938 /nfs/dbraw/zinc/61/79/38/1010617938.db2.gz UAGHBWFRYKKEGS-OYRHEFFESA-N 2 1 421.585 3.822 20 0 HHADMP CC[C@H](C)[N@H+](C)CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000521796087 1010625371 /nfs/dbraw/zinc/62/53/71/1010625371.db2.gz KHPJJSCOYIZVRC-HNNXBMFYSA-N 2 1 415.409 3.987 20 0 HHADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000521796087 1010625372 /nfs/dbraw/zinc/62/53/72/1010625372.db2.gz KHPJJSCOYIZVRC-HNNXBMFYSA-N 2 1 415.409 3.987 20 0 HHADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000545159643 1010657250 /nfs/dbraw/zinc/65/72/50/1010657250.db2.gz VNBLLRLKFPEDHJ-FOIQADDNSA-N 2 1 405.336 3.959 20 0 HHADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000545159643 1010657254 /nfs/dbraw/zinc/65/72/54/1010657254.db2.gz VNBLLRLKFPEDHJ-FOIQADDNSA-N 2 1 405.336 3.959 20 0 HHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc(-n2ccnn2)c1 ZINC000521848924 1010657782 /nfs/dbraw/zinc/65/77/82/1010657782.db2.gz BAYUBJBPBUHAIA-ZCNNSNEGSA-N 2 1 405.546 3.727 20 0 HHADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4Br)sc32)C1 ZINC000545161523 1010659200 /nfs/dbraw/zinc/65/92/00/1010659200.db2.gz YZVYMFVHOYIQFZ-BEFAXECRSA-N 2 1 422.392 3.606 20 0 HHADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4Br)sc32)C1 ZINC000545161523 1010659210 /nfs/dbraw/zinc/65/92/10/1010659210.db2.gz YZVYMFVHOYIQFZ-BEFAXECRSA-N 2 1 422.392 3.606 20 0 HHADMP C[N@@H+](CCC(=O)Nc1ccnn1[C@H]1CC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC000548719963 1010714073 /nfs/dbraw/zinc/71/40/73/1010714073.db2.gz PMDJUTMNWMOPLW-QFIPXVFZSA-N 2 1 409.578 3.923 20 0 HHADMP C[NH+](CCC(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000548719963 1010714076 /nfs/dbraw/zinc/71/40/76/1010714076.db2.gz PMDJUTMNWMOPLW-QFIPXVFZSA-N 2 1 409.578 3.923 20 0 HHADMP C[NH+](CCC(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000548719963 1010714084 /nfs/dbraw/zinc/71/40/84/1010714084.db2.gz PMDJUTMNWMOPLW-QFIPXVFZSA-N 2 1 409.578 3.923 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000545302521 1010722202 /nfs/dbraw/zinc/72/22/02/1010722202.db2.gz AVRZOAISEORVBO-SVFBPWRDSA-N 2 1 405.542 3.561 20 0 HHADMP Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000522277651 1010900696 /nfs/dbraw/zinc/90/06/96/1010900696.db2.gz SHUHSXYKKXLZPX-YADHBBJMSA-N 2 1 410.562 3.689 20 0 HHADMP Cc1[nH+]ccn1CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522765196 1011202977 /nfs/dbraw/zinc/20/29/77/1011202977.db2.gz RZSAZJHINFMKQA-IEBWSBKVSA-N 2 1 423.483 3.593 20 0 HHADMP Cc1[nH+]ccn1CCNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522765196 1011202986 /nfs/dbraw/zinc/20/29/86/1011202986.db2.gz RZSAZJHINFMKQA-IEBWSBKVSA-N 2 1 423.483 3.593 20 0 HHADMP Cc1[nH+]ccn1CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522765198 1011203224 /nfs/dbraw/zinc/20/32/24/1011203224.db2.gz RZSAZJHINFMKQA-PKOBYXMFSA-N 2 1 423.483 3.593 20 0 HHADMP Cc1[nH+]ccn1CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522765198 1011203231 /nfs/dbraw/zinc/20/32/31/1011203231.db2.gz RZSAZJHINFMKQA-PKOBYXMFSA-N 2 1 423.483 3.593 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCC[NH+](Cc4cccnc4)C3)cc2)C1 ZINC000522829281 1011265231 /nfs/dbraw/zinc/26/52/31/1011265231.db2.gz HGJLRLRKLZNVCW-PXDATVDWSA-N 2 1 420.601 3.842 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)cc2)C1 ZINC000522829281 1011265242 /nfs/dbraw/zinc/26/52/42/1011265242.db2.gz HGJLRLRKLZNVCW-PXDATVDWSA-N 2 1 420.601 3.842 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)cc2)C1 ZINC000522829281 1011265251 /nfs/dbraw/zinc/26/52/51/1011265251.db2.gz HGJLRLRKLZNVCW-PXDATVDWSA-N 2 1 420.601 3.842 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nccc(OCc2ccccc2)n1 ZINC000536306954 1011499020 /nfs/dbraw/zinc/49/90/20/1011499020.db2.gz UBLNVIWPYQYQKL-UHFFFAOYSA-N 2 1 423.605 3.688 20 0 HHADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000540919307 1011586766 /nfs/dbraw/zinc/58/67/66/1011586766.db2.gz VRLHYACCAGWFNP-WMQCIHAUSA-N 2 1 404.986 3.603 20 0 HHADMP C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C(C)(C)C[NH+](C)C ZINC000536460389 1011680781 /nfs/dbraw/zinc/68/07/81/1011680781.db2.gz UKCABBKABKXALC-URLQWDBASA-N 2 1 412.981 3.747 20 0 HHADMP COc1ccccc1COC[C@@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536488191 1011700527 /nfs/dbraw/zinc/70/05/27/1011700527.db2.gz LRZVWLJVXSNJAY-DEOSSOPVSA-N 2 1 424.585 3.561 20 0 HHADMP COc1ccccc1COC[C@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536488197 1011700958 /nfs/dbraw/zinc/70/09/58/1011700958.db2.gz LRZVWLJVXSNJAY-XMMPIXPASA-N 2 1 424.585 3.561 20 0 HHADMP COc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536488180 1011701061 /nfs/dbraw/zinc/70/10/61/1011701061.db2.gz LZBMXYQDTGQCDQ-OAQYLSRUSA-N 2 1 421.585 3.688 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(Cc2ccncc2)C[C@H]2CCC[NH+]2CC)c1 ZINC000523221962 1011710508 /nfs/dbraw/zinc/71/05/08/1011710508.db2.gz GEXLTGZZVDRWJU-XMMPIXPASA-N 2 1 423.605 3.729 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N(Cc2ccncc2)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000523221962 1011710519 /nfs/dbraw/zinc/71/05/19/1011710519.db2.gz GEXLTGZZVDRWJU-XMMPIXPASA-N 2 1 423.605 3.729 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N(Cc2ccncc2)C[C@H]2CCC[N@H+]2CC)c1 ZINC000523221962 1011710536 /nfs/dbraw/zinc/71/05/36/1011710536.db2.gz GEXLTGZZVDRWJU-XMMPIXPASA-N 2 1 423.605 3.729 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cnc([C@@H]4CCCO4)s3)CC2)CC1 ZINC000536666317 1011817684 /nfs/dbraw/zinc/81/76/84/1011817684.db2.gz MXIDQXWKFXBEDX-NRFANRHFSA-N 2 1 406.640 3.623 20 0 HHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(Br)c(OC)s2)CC1 ZINC000536709158 1011880647 /nfs/dbraw/zinc/88/06/47/1011880647.db2.gz JCERMDKLDPDWPK-UHFFFAOYSA-N 2 1 405.402 3.842 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000536724882 1011895745 /nfs/dbraw/zinc/89/57/45/1011895745.db2.gz UZDJYQXEPAYRCV-QHCPKHFHSA-N 2 1 410.537 3.955 20 0 HHADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2coc(-c3ccc(C)cc3)n2)CC1 ZINC000523437280 1011928304 /nfs/dbraw/zinc/92/83/04/1011928304.db2.gz DPLFPBCBPBDLHA-UHFFFAOYSA-N 2 1 412.578 3.710 20 0 HHADMP O=C(CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1ccc(Br)cc1F ZINC000523450199 1011949900 /nfs/dbraw/zinc/94/99/00/1011949900.db2.gz LUJWZKFLCREMEX-MRXNPFEDSA-N 2 1 412.347 3.867 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)C1 ZINC000536839937 1012069664 /nfs/dbraw/zinc/06/96/64/1012069664.db2.gz QUOQWBFKILQIPU-NJYVYQBISA-N 2 1 411.590 3.942 20 0 HHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1I ZINC000536855974 1012088437 /nfs/dbraw/zinc/08/84/37/1012088437.db2.gz DAAWMXWAPNAVGM-XHSDSOJGSA-N 2 1 416.347 3.831 20 0 HHADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000536864410 1012101660 /nfs/dbraw/zinc/10/16/60/1012101660.db2.gz RFXKNMIIIALHRO-UGKGYDQZSA-N 2 1 421.651 3.850 20 0 HHADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000536874038 1012116142 /nfs/dbraw/zinc/11/61/42/1012116142.db2.gz BQZNZRKZZWOVPY-QGZVFWFLSA-N 2 1 419.591 3.672 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)[C@@H](C)C1 ZINC000536876586 1012121010 /nfs/dbraw/zinc/12/10/10/1012121010.db2.gz OJVMHXZGABHPLC-REWPJTCUSA-N 2 1 401.595 3.539 20 0 HHADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000541467301 1012230813 /nfs/dbraw/zinc/23/08/13/1012230813.db2.gz GWDCLQDSWHPEJB-CTNGQTDRSA-N 2 1 400.611 3.977 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000541467301 1012230824 /nfs/dbraw/zinc/23/08/24/1012230824.db2.gz GWDCLQDSWHPEJB-CTNGQTDRSA-N 2 1 400.611 3.977 20 0 HHADMP COc1cccc([C@@H]2[C@H](NC(=O)NCC[C@H](C)[NH+]3CCCCC3)CC[N@H+]2C2CC2)c1 ZINC000541476764 1012246858 /nfs/dbraw/zinc/24/68/58/1012246858.db2.gz JONCVIFEQUYBPJ-CDNPAEQRSA-N 2 1 414.594 3.537 20 0 HHADMP COc1ccc([C@H](Cc2ccncc2)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000552237660 1012247426 /nfs/dbraw/zinc/24/74/26/1012247426.db2.gz IDDFHKLDJXEKMF-SANMLTNESA-N 2 1 417.553 3.996 20 0 HHADMP CC(C)[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000536951502 1012250087 /nfs/dbraw/zinc/25/00/87/1012250087.db2.gz QWBZJTVASQFUCX-GHTZIAJQSA-N 2 1 414.575 3.870 20 0 HHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000541534358 1012318011 /nfs/dbraw/zinc/31/80/11/1012318011.db2.gz NOLRQDSWWUNVRM-HXUWFJFHSA-N 2 1 418.545 3.918 20 0 HHADMP CC(C)c1ccc(OCCNC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000541600286 1012395796 /nfs/dbraw/zinc/39/57/96/1012395796.db2.gz AZAUJVGXOSFHEH-PZJWPPBQSA-N 2 1 401.595 3.548 20 0 HHADMP CC(C)c1ccc(OCCNC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000541600286 1012395812 /nfs/dbraw/zinc/39/58/12/1012395812.db2.gz AZAUJVGXOSFHEH-PZJWPPBQSA-N 2 1 401.595 3.548 20 0 HHADMP C[NH+]1CCC(Oc2ccc(CNC(=O)[C@@H]3CCCC[N@H+]3Cc3ccccc3)cc2)CC1 ZINC000552434301 1012453717 /nfs/dbraw/zinc/45/37/17/1012453717.db2.gz IOPBZVKEVFELOG-VWLOTQADSA-N 2 1 421.585 3.831 20 0 HHADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000541663825 1012493054 /nfs/dbraw/zinc/49/30/54/1012493054.db2.gz BMHMPENSZLXKKJ-QGZVFWFLSA-N 2 1 417.985 3.801 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)cc1F ZINC000552495130 1012518872 /nfs/dbraw/zinc/51/88/72/1012518872.db2.gz QICASOVJICBPHE-GBXCKJPGSA-N 2 1 409.505 3.865 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000523832690 1012520235 /nfs/dbraw/zinc/52/02/35/1012520235.db2.gz IAJZQBDTLXXEIE-NZQKXSOJSA-N 2 1 406.574 3.635 20 0 HHADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000523856573 1012552932 /nfs/dbraw/zinc/55/29/32/1012552932.db2.gz VFGQAQGVVUSBPY-VWLOTQADSA-N 2 1 407.602 3.895 20 0 HHADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000523856573 1012552952 /nfs/dbraw/zinc/55/29/52/1012552952.db2.gz VFGQAQGVVUSBPY-VWLOTQADSA-N 2 1 407.602 3.895 20 0 HHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](c3ccn(C)n3)c3ccc(F)cc3)CC2)oc1C ZINC000537191627 1012605301 /nfs/dbraw/zinc/60/53/01/1012605301.db2.gz RAPXROQFQFZCOB-QHCPKHFHSA-N 2 1 411.525 3.755 20 0 HHADMP Cc1c(C)c(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)ccc1NC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000552610784 1012613410 /nfs/dbraw/zinc/61/34/10/1012613410.db2.gz YEMBHEVRYDUFNX-USTZCAOPSA-N 2 1 414.594 3.926 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)[NH+](C)C ZINC000523911654 1012631080 /nfs/dbraw/zinc/63/10/80/1012631080.db2.gz OCQWJVSFDPBZOH-AUSIDOKSSA-N 2 1 424.589 3.823 20 0 HHADMP c1nc([C@@H]2CCCO2)sc1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000537225874 1012654832 /nfs/dbraw/zinc/65/48/32/1012654832.db2.gz SEKJVJUOWYDXDE-QFIPXVFZSA-N 2 1 414.619 3.682 20 0 HHADMP CCC[N@@H+]1Cc2cccc(NC(=O)CCC[NH+]3CCN(c4ccccc4)CC3)c2C1 ZINC000523976752 1012722440 /nfs/dbraw/zinc/72/24/40/1012722440.db2.gz YGYJYATXHUANTP-UHFFFAOYSA-N 2 1 406.574 3.953 20 0 HHADMP CCC[N@H+]1Cc2cccc(NC(=O)CCC[NH+]3CCN(c4ccccc4)CC3)c2C1 ZINC000523976752 1012722455 /nfs/dbraw/zinc/72/24/55/1012722455.db2.gz YGYJYATXHUANTP-UHFFFAOYSA-N 2 1 406.574 3.953 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(NC(=O)NC2CC2)cc1 ZINC000541915890 1012772975 /nfs/dbraw/zinc/77/29/75/1012772975.db2.gz FCPHYROYVWQFFE-KOSHJBKYSA-N 2 1 422.573 3.778 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(NC(=O)NC2CC2)cc1 ZINC000541915889 1012773200 /nfs/dbraw/zinc/77/32/00/1012773200.db2.gz FCPHYROYVWQFFE-HOYKHHGWSA-N 2 1 422.573 3.778 20 0 HHADMP O=S(=O)(c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1)N1CCCCC1 ZINC000541930081 1012790647 /nfs/dbraw/zinc/79/06/47/1012790647.db2.gz MMDYSDIUXCIJPG-UHFFFAOYSA-N 2 1 419.635 3.748 20 0 HHADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000537334200 1012792035 /nfs/dbraw/zinc/79/20/35/1012792035.db2.gz UDSCZVIJLMZZJI-UHFFFAOYSA-N 2 1 416.610 3.537 20 0 HHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000552900008 1012901005 /nfs/dbraw/zinc/90/10/05/1012901005.db2.gz YBKVRDISSNJHFG-ZCNNSNEGSA-N 2 1 422.635 3.943 20 0 HHADMP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000524135678 1012919571 /nfs/dbraw/zinc/91/95/71/1012919571.db2.gz NXWIYMGSSHLPSO-MQSCRBSSSA-N 2 1 400.611 3.801 20 0 HHADMP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000524142089 1012926900 /nfs/dbraw/zinc/92/69/00/1012926900.db2.gz FVWYUHJERORLAZ-UHFFFAOYSA-N 2 1 416.610 3.567 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000524169626 1012963623 /nfs/dbraw/zinc/96/36/23/1012963623.db2.gz YXWCVACVEDMDOY-UHFFFAOYSA-N 2 1 408.590 3.802 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000524193472 1012999261 /nfs/dbraw/zinc/99/92/61/1012999261.db2.gz UIDAIGTWDSNYJF-HXUWFJFHSA-N 2 1 406.574 3.570 20 0 HHADMP c1ccc(C[N@@H+]2CC[C@H](c3nc(-c4ccc(C[NH+]5CCOCC5)cc4)no3)C2)cc1 ZINC000904512893 1071784743 /nfs/dbraw/zinc/78/47/43/1071784743.db2.gz BHBRMPAVHOUKQO-QFIPXVFZSA-N 2 1 404.514 3.558 20 0 HHADMP c1ccc(C[N@H+]2CC[C@H](c3nc(-c4ccc(C[NH+]5CCOCC5)cc4)no3)C2)cc1 ZINC000904512893 1071784752 /nfs/dbraw/zinc/78/47/52/1071784752.db2.gz BHBRMPAVHOUKQO-QFIPXVFZSA-N 2 1 404.514 3.558 20 0 HHADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C[C@@H](C)C1 ZINC000487816608 1072063467 /nfs/dbraw/zinc/06/34/67/1072063467.db2.gz DMKXIGPEUFYZCC-SPEDKVCISA-N 2 1 419.013 3.676 20 0 HHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC001168274589 1072151269 /nfs/dbraw/zinc/15/12/69/1072151269.db2.gz GPBDQBJKRHEVAB-UHFFFAOYSA-N 2 1 404.514 3.773 20 0 HHADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC001168274589 1072151271 /nfs/dbraw/zinc/15/12/71/1072151271.db2.gz GPBDQBJKRHEVAB-UHFFFAOYSA-N 2 1 404.514 3.773 20 0 HHADMP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000570886942 1072402461 /nfs/dbraw/zinc/40/24/61/1072402461.db2.gz QECVGPBCMOFVPZ-IBGZPJMESA-N 2 1 400.588 3.995 20 0 HHADMP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000570886942 1072402469 /nfs/dbraw/zinc/40/24/69/1072402469.db2.gz QECVGPBCMOFVPZ-IBGZPJMESA-N 2 1 400.588 3.995 20 0 HHADMP O=C(c1ccsc1)N1CCC2(CC1)CC[NH+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168377265 1072425431 /nfs/dbraw/zinc/42/54/31/1072425431.db2.gz BALURWWHWPDFFP-UHFFFAOYSA-N 2 1 401.620 3.941 20 0 HHADMP Cc1nc(COC[C@@H]2CCC[C@@]23C[N@@H+](C2CCC([NH+](C)C)CC2)CCO3)cs1 ZINC001168321692 1072502448 /nfs/dbraw/zinc/50/24/48/1072502448.db2.gz KJWPWZNXWXPUIH-FTWXPCQCSA-N 2 1 407.624 3.712 20 0 HHADMP C[N@H+](C[C@@H](O)CN1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)C1CC1 ZINC001168324874 1072504416 /nfs/dbraw/zinc/50/44/16/1072504416.db2.gz PEUYDKFGKPXWBJ-RPWUZVMVSA-N 2 1 413.993 3.502 20 0 HHADMP C[N@@H+](C[C@@H](O)CN1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)C1CC1 ZINC001168324874 1072504419 /nfs/dbraw/zinc/50/44/19/1072504419.db2.gz PEUYDKFGKPXWBJ-RPWUZVMVSA-N 2 1 413.993 3.502 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000571341893 1072607055 /nfs/dbraw/zinc/60/70/55/1072607055.db2.gz KNUPEXPFHMRTPL-BJKOFHAPSA-N 2 1 418.585 3.587 20 0 HHADMP O=C([C@H](c1ccccc1)[NH+]1CCSCC1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000588009768 1072752212 /nfs/dbraw/zinc/75/22/12/1072752212.db2.gz OQJVJBBSXMUHPT-QHCPKHFHSA-N 2 1 415.647 3.891 20 0 HHADMP CCOC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001142594905 1072889959 /nfs/dbraw/zinc/88/99/59/1072889959.db2.gz DOJPFLMZKRCLCN-QPTUXGOLSA-N 2 1 407.558 3.991 20 0 HHADMP CCOC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001142594905 1072889971 /nfs/dbraw/zinc/88/99/71/1072889971.db2.gz DOJPFLMZKRCLCN-QPTUXGOLSA-N 2 1 407.558 3.991 20 0 HHADMP CCOC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001142594905 1072889992 /nfs/dbraw/zinc/88/99/92/1072889992.db2.gz DOJPFLMZKRCLCN-QPTUXGOLSA-N 2 1 407.558 3.991 20 0 HHADMP CCOC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001142594905 1072890004 /nfs/dbraw/zinc/89/00/04/1072890004.db2.gz DOJPFLMZKRCLCN-QPTUXGOLSA-N 2 1 407.558 3.991 20 0 HHADMP Cc1ccc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c(-c2ccnn2C)c1 ZINC000554915857 1072961032 /nfs/dbraw/zinc/96/10/32/1072961032.db2.gz BNIQBJKQXLFTQT-JOCHJYFZSA-N 2 1 409.603 3.535 20 0 HHADMP Cc1ccc(NC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)c(OCC[NH+](C)C)c1 ZINC000554986246 1073029668 /nfs/dbraw/zinc/02/96/68/1073029668.db2.gz VNFGVDVXZZUQDF-UHFFFAOYSA-N 2 1 411.550 3.561 20 0 HHADMP COc1ccc(C[C@](C)(O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000555002694 1073051433 /nfs/dbraw/zinc/05/14/33/1073051433.db2.gz KWISOIVQFLCRQU-QNIAMRLHSA-N 2 1 412.574 3.640 20 0 HHADMP COc1ccc(C[C@](C)(O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000555002694 1073051442 /nfs/dbraw/zinc/05/14/42/1073051442.db2.gz KWISOIVQFLCRQU-QNIAMRLHSA-N 2 1 412.574 3.640 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000588657059 1073105153 /nfs/dbraw/zinc/10/51/53/1073105153.db2.gz SILXNGFYVFWMAH-SFTDATJTSA-N 2 1 415.622 3.880 20 0 HHADMP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588710731 1073157154 /nfs/dbraw/zinc/15/71/54/1073157154.db2.gz VJRIPXZXYBUSSA-SZPZYZBQSA-N 2 1 415.622 3.555 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC000555153013 1073205764 /nfs/dbraw/zinc/20/57/64/1073205764.db2.gz JKYHEAVWNWBJQZ-PKTZIBPZSA-N 2 1 400.611 3.566 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000555153013 1073205777 /nfs/dbraw/zinc/20/57/77/1073205777.db2.gz JKYHEAVWNWBJQZ-PKTZIBPZSA-N 2 1 400.611 3.566 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000555153013 1073205782 /nfs/dbraw/zinc/20/57/82/1073205782.db2.gz JKYHEAVWNWBJQZ-PKTZIBPZSA-N 2 1 400.611 3.566 20 0 HHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000589998751 1073439664 /nfs/dbraw/zinc/43/96/64/1073439664.db2.gz HRSKXPIFXUHZFG-UHFFFAOYSA-N 2 1 423.557 3.630 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000589998751 1073439675 /nfs/dbraw/zinc/43/96/75/1073439675.db2.gz HRSKXPIFXUHZFG-UHFFFAOYSA-N 2 1 423.557 3.630 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000590020519 1073473279 /nfs/dbraw/zinc/47/32/79/1073473279.db2.gz YHNSQIUBBBEBCQ-LSDHHAIUSA-N 2 1 405.329 3.882 20 0 HHADMP Cc1ccc([C@H](CNC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)[NH+]2CCCC2)o1 ZINC000555709222 1073752090 /nfs/dbraw/zinc/75/20/90/1073752090.db2.gz PZRXAUFSXMUCJZ-ZACQAIPSSA-N 2 1 415.500 3.750 20 0 HHADMP C[N@H+](Cc1ccccc1NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C1CCCCC1 ZINC000591479443 1074336452 /nfs/dbraw/zinc/33/64/52/1074336452.db2.gz OOLOXJMLULTNGF-JOCHJYFZSA-N 2 1 414.594 3.780 20 0 HHADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C1CCCCC1 ZINC000591479443 1074336459 /nfs/dbraw/zinc/33/64/59/1074336459.db2.gz OOLOXJMLULTNGF-JOCHJYFZSA-N 2 1 414.594 3.780 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000591545359 1074381542 /nfs/dbraw/zinc/38/15/42/1074381542.db2.gz FZPNTZQLOZMDOS-GHTZIAJQSA-N 2 1 407.002 3.897 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000591560262 1074409315 /nfs/dbraw/zinc/40/93/15/1074409315.db2.gz YOQAIPMWIJUJKB-UHFFFAOYSA-N 2 1 400.611 3.805 20 0 HHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000591580923 1074424460 /nfs/dbraw/zinc/42/44/60/1074424460.db2.gz BPXBHVARWPCJPZ-WOJBJXKFSA-N 2 1 404.624 3.620 20 0 HHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3cccc(-c4ccccn4)c3)CC2)C[C@@H](C)O1 ZINC000574200626 1075174080 /nfs/dbraw/zinc/17/40/80/1075174080.db2.gz DFEUNOYGUPBTDW-NHCUHLMSSA-N 2 1 409.574 3.839 20 0 HHADMP Cc1cccc(C[NH+]2CCN(C(=O)Nc3ccc(OCCC[NH+](C)C)cc3)CC2)c1 ZINC000593501404 1075205351 /nfs/dbraw/zinc/20/53/51/1075205351.db2.gz SDVWBCIRMVJOLB-UHFFFAOYSA-N 2 1 410.562 3.675 20 0 HHADMP C[C@H](c1ccc(NC(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)[NH+]1CCOCC1 ZINC000574315000 1075219011 /nfs/dbraw/zinc/21/90/11/1075219011.db2.gz QKAYBZYFQQFKAR-ZGXWSNOMSA-N 2 1 402.583 3.568 20 0 HHADMP C[C@H](c1ccc(NC(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)[NH+]1CCOCC1 ZINC000574315000 1075219014 /nfs/dbraw/zinc/21/90/14/1075219014.db2.gz QKAYBZYFQQFKAR-ZGXWSNOMSA-N 2 1 402.583 3.568 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000595438448 1075457665 /nfs/dbraw/zinc/45/76/65/1075457665.db2.gz NBGXEPFIYCYUSA-GOSISDBHSA-N 2 1 405.502 3.773 20 0 HHADMP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@H](O)c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000761125023 1075498556 /nfs/dbraw/zinc/49/85/56/1075498556.db2.gz WHVYHRZMXKFTBP-HXUWFJFHSA-N 2 1 400.394 3.517 20 0 HHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CC[C@@H]5[NH2+]CC[C@@H]54)c23)C1 ZINC001164411114 718876063 /nfs/dbraw/zinc/87/60/63/718876063.db2.gz MRXXXDLIHDWFHT-NJAFHUGGSA-N 2 1 411.619 3.743 20 0 HHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4c5ccccc5C[NH2+][C@@H]4C3)c2c1C ZINC001164425499 718944805 /nfs/dbraw/zinc/94/48/05/718944805.db2.gz VQACKSHYRDSZEF-VQTJNVASSA-N 2 1 419.598 3.980 20 0 HHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)n1 ZINC001164625887 719122484 /nfs/dbraw/zinc/12/24/84/719122484.db2.gz ZGGBMEVYVGNMOO-HOTGVXAUSA-N 2 1 405.587 3.663 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)cc2Cl)c2c1CC[NH2+]C2 ZINC001164682401 719606999 /nfs/dbraw/zinc/60/69/99/719606999.db2.gz CUCWGHARPVBPPA-UHFFFAOYSA-N 2 1 404.292 3.668 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)cc2Cl)c2c1CC[NH2+]C2 ZINC001164682401 719607008 /nfs/dbraw/zinc/60/70/08/719607008.db2.gz CUCWGHARPVBPPA-UHFFFAOYSA-N 2 1 404.292 3.668 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)Oc2cc(Cl)nc(Cl)c2)c2c1CC[NH2+]C2 ZINC001164684259 719651301 /nfs/dbraw/zinc/65/13/01/719651301.db2.gz WQPNTBXQLKAIIG-UHFFFAOYSA-N 2 1 420.291 3.657 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)Oc2cc(Cl)nc(Cl)c2)c2c1CC[NH2+]C2 ZINC001164684259 719651311 /nfs/dbraw/zinc/65/13/11/719651311.db2.gz WQPNTBXQLKAIIG-UHFFFAOYSA-N 2 1 420.291 3.657 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)C2(c3ccnc(Cl)c3)CC2)c2c1CC[NH2+]C2 ZINC001164681730 719652269 /nfs/dbraw/zinc/65/22/69/719652269.db2.gz QMOLKLJHJKRXIG-UHFFFAOYSA-N 2 1 409.912 3.699 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)C2(c3ccnc(Cl)c3)CC2)c2c1CC[NH2+]C2 ZINC001164681730 719652275 /nfs/dbraw/zinc/65/22/75/719652275.db2.gz QMOLKLJHJKRXIG-UHFFFAOYSA-N 2 1 409.912 3.699 20 0 HHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164815521 720128218 /nfs/dbraw/zinc/12/82/18/720128218.db2.gz WGJNKQJMLWIAKY-NFBKMPQASA-N 2 1 419.013 3.516 20 0 HHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164815521 720128225 /nfs/dbraw/zinc/12/82/25/720128225.db2.gz WGJNKQJMLWIAKY-NFBKMPQASA-N 2 1 419.013 3.516 20 0 HHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(N4CCCCC4)cc[nH+]3)C[C@H]21 ZINC001165020795 721817502 /nfs/dbraw/zinc/81/75/02/721817502.db2.gz DBQUUMPKZLVRMY-CEMLEFRQSA-N 2 1 406.578 3.599 20 0 HHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(N4CCCCC4)cc[nH+]3)C[C@H]21 ZINC001165020795 721817504 /nfs/dbraw/zinc/81/75/04/721817504.db2.gz DBQUUMPKZLVRMY-CEMLEFRQSA-N 2 1 406.578 3.599 20 0 HHADMP C[NH+](C)CC1CCN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)CC1 ZINC001165045251 721948794 /nfs/dbraw/zinc/94/87/94/721948794.db2.gz OWWNTXWGOHGSKV-UHFFFAOYSA-N 2 1 413.635 3.944 20 0 HHADMP COc1cccc2c(NCc3cccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)c3)cc(C)[nH+]c12 ZINC000301662112 971018614 /nfs/dbraw/zinc/01/86/14/971018614.db2.gz JWFSIFMNWAYEQY-FQEVSTJZSA-N 2 1 418.541 3.861 20 0 HHADMP COc1cccc2c(NCc3cccc(C[N@H+]4CCC[C@H](C(N)=O)C4)c3)cc(C)[nH+]c12 ZINC000301662112 971018623 /nfs/dbraw/zinc/01/86/23/971018623.db2.gz JWFSIFMNWAYEQY-FQEVSTJZSA-N 2 1 418.541 3.861 20 0 HHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(OC)c(Br)c3)CC2)CC1 ZINC000553128641 1013089159 /nfs/dbraw/zinc/08/91/59/1013089159.db2.gz GHTKECONSXAGNP-UHFFFAOYSA-N 2 1 424.383 3.593 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2cc(Br)ccc2o1 ZINC000303189553 971550779 /nfs/dbraw/zinc/55/07/79/971550779.db2.gz ZVZCVMCAGRTEIN-QGZVFWFLSA-N 2 1 422.367 3.683 20 0 HHADMP C[C@@H]1[C@@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C[C@@H]1c1ccccc1 ZINC000542169820 1013107209 /nfs/dbraw/zinc/10/72/09/1013107209.db2.gz UWUVPPWXDBFLSU-IGKWTDBASA-N 2 1 407.558 3.629 20 0 HHADMP Cc1ccc(N2CCC(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)[nH+]c1 ZINC000303460965 971765280 /nfs/dbraw/zinc/76/52/80/971765280.db2.gz LQFCJWVPUALJPM-CWAQXLGLSA-N 2 1 418.585 3.918 20 0 HHADMP Cc1ccc(N2CCC(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)[nH+]c1 ZINC000303460965 971765282 /nfs/dbraw/zinc/76/52/82/971765282.db2.gz LQFCJWVPUALJPM-CWAQXLGLSA-N 2 1 418.585 3.918 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)[NH+]1CCCC1 ZINC000303491482 971789643 /nfs/dbraw/zinc/78/96/43/971789643.db2.gz SFYRPTSGAWBIQZ-NFBKMPQASA-N 2 1 424.589 3.652 20 0 HHADMP C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000303494048 971791935 /nfs/dbraw/zinc/79/19/35/971791935.db2.gz STMNVBKMCMWKOI-OCGFDBKUSA-N 2 1 403.570 3.745 20 0 HHADMP C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000303494048 971791937 /nfs/dbraw/zinc/79/19/37/971791937.db2.gz STMNVBKMCMWKOI-OCGFDBKUSA-N 2 1 403.570 3.745 20 0 HHADMP C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[NH+]1CCc2ccccc2C1 ZINC000303494048 971791942 /nfs/dbraw/zinc/79/19/42/971791942.db2.gz STMNVBKMCMWKOI-OCGFDBKUSA-N 2 1 403.570 3.745 20 0 HHADMP C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCc2ccccc2C1 ZINC000303494048 971791946 /nfs/dbraw/zinc/79/19/46/971791946.db2.gz STMNVBKMCMWKOI-OCGFDBKUSA-N 2 1 403.570 3.745 20 0 HHADMP Cc1ccc(N2CCC(C(=O)Nc3ccc(OCC[NH+](C)C)c(Cl)c3)CC2)[nH+]c1 ZINC000303685492 971961594 /nfs/dbraw/zinc/96/15/94/971961594.db2.gz TWAORVDZPLYVMO-UHFFFAOYSA-N 2 1 416.953 3.839 20 0 HHADMP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000542185557 1013125857 /nfs/dbraw/zinc/12/58/57/1013125857.db2.gz MBEKXMXJHFPETN-IPJJNNNSSA-N 2 1 423.557 3.691 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)c3cccc(C[N@H+](C)Cc4ccccc4)c3)CC2)c1 ZINC000542224661 1013178153 /nfs/dbraw/zinc/17/81/53/1013178153.db2.gz KYWJQGMMIUPMKU-UHFFFAOYSA-N 2 1 414.553 3.984 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)c3cccc(C[N@@H+](C)Cc4ccccc4)c3)CC2)c1 ZINC000542224661 1013178160 /nfs/dbraw/zinc/17/81/60/1013178160.db2.gz KYWJQGMMIUPMKU-UHFFFAOYSA-N 2 1 414.553 3.984 20 0 HHADMP C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)C1 ZINC000007340708 961136269 /nfs/dbraw/zinc/13/62/69/961136269.db2.gz WXCRFJMMVNLWDQ-NRFANRHFSA-N 2 1 406.574 3.679 20 0 HHADMP C[N@@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000542279952 1013240348 /nfs/dbraw/zinc/24/03/48/1013240348.db2.gz GPFFQIDIBHXNBY-VQTJNVASSA-N 2 1 422.491 3.899 20 0 HHADMP C[NH+](C[C@@H](O)COc1ccccc1C(F)(F)F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000542279952 1013240355 /nfs/dbraw/zinc/24/03/55/1013240355.db2.gz GPFFQIDIBHXNBY-VQTJNVASSA-N 2 1 422.491 3.899 20 0 HHADMP C[NH+](C[C@@H](O)COc1ccccc1C(F)(F)F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000542279952 1013240364 /nfs/dbraw/zinc/24/03/64/1013240364.db2.gz GPFFQIDIBHXNBY-VQTJNVASSA-N 2 1 422.491 3.899 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000537733269 1013294168 /nfs/dbraw/zinc/29/41/68/1013294168.db2.gz KPNKXXZAZMVEEB-NBGIEHNGSA-N 2 1 421.585 3.526 20 0 HHADMP CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000015547570 962789870 /nfs/dbraw/zinc/78/98/70/962789870.db2.gz DXVHNPPYDOLVIS-NRFANRHFSA-N 2 1 412.603 3.838 20 0 HHADMP CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000015547570 962789877 /nfs/dbraw/zinc/78/98/77/962789877.db2.gz DXVHNPPYDOLVIS-NRFANRHFSA-N 2 1 412.603 3.838 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NC1(c2ccccc2)CCC1 ZINC000537843423 1013405381 /nfs/dbraw/zinc/40/53/81/1013405381.db2.gz RHTBDDGLXPGAFF-UHFFFAOYSA-N 2 1 406.574 3.816 20 0 HHADMP CC(C)CO[C@@H](C)c1noc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000537843182 1013405549 /nfs/dbraw/zinc/40/55/49/1013405549.db2.gz LFSCXGQEDKISPK-SFHVURJKSA-N 2 1 401.555 3.937 20 0 HHADMP CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000537843182 1013405555 /nfs/dbraw/zinc/40/55/55/1013405555.db2.gz LFSCXGQEDKISPK-SFHVURJKSA-N 2 1 401.555 3.937 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000537843388 1013405612 /nfs/dbraw/zinc/40/56/12/1013405612.db2.gz PRJGTRJNMMRSEK-NRFANRHFSA-N 2 1 403.954 3.713 20 0 HHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cc(C)ccc1OC ZINC000537887612 1013469278 /nfs/dbraw/zinc/46/92/78/1013469278.db2.gz MVVOQMILBUXSMV-FYYLOGMGSA-N 2 1 409.574 3.942 20 0 HHADMP COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000542529829 1013471570 /nfs/dbraw/zinc/47/15/70/1013471570.db2.gz UPKLXHYEYHWENN-VJANTYMQSA-N 2 1 417.594 3.512 20 0 HHADMP COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000542529829 1013471576 /nfs/dbraw/zinc/47/15/76/1013471576.db2.gz UPKLXHYEYHWENN-VJANTYMQSA-N 2 1 417.594 3.512 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542528642 1013470495 /nfs/dbraw/zinc/47/04/95/1013470495.db2.gz CJKVBIPYXYRBKB-FGTMMUONSA-N 2 1 414.619 3.886 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542528642 1013470500 /nfs/dbraw/zinc/47/05/00/1013470500.db2.gz CJKVBIPYXYRBKB-FGTMMUONSA-N 2 1 414.619 3.886 20 0 HHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cc(Br)ccc2F)c2cccs2)CC1 ZINC000025362106 964251157 /nfs/dbraw/zinc/25/11/57/964251157.db2.gz YKKBKKHDKLOGCC-KRWDZBQOSA-N 2 1 412.372 3.728 20 0 HHADMP COc1cccc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c1OC(C)C ZINC000025362174 964252389 /nfs/dbraw/zinc/25/23/89/964252389.db2.gz KRBVZLMANPKNNO-LJQANCHMSA-N 2 1 403.592 3.622 20 0 HHADMP CCOc1ccc(C[N@H+](C)[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000026188979 964480238 /nfs/dbraw/zinc/48/02/38/964480238.db2.gz RGDKYRAWQWQQIX-FQEVSTJZSA-N 2 1 409.574 3.686 20 0 HHADMP CCOc1ccc(C[N@@H+](C)[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000026188979 964480268 /nfs/dbraw/zinc/48/02/68/964480268.db2.gz RGDKYRAWQWQQIX-FQEVSTJZSA-N 2 1 409.574 3.686 20 0 HHADMP Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cnn1-c1ccc(F)cc1 ZINC000537958353 1013537746 /nfs/dbraw/zinc/53/77/46/1013537746.db2.gz QUOIURHRALHPHH-IRBZQWRBSA-N 2 1 400.542 3.738 20 0 HHADMP CN1C(=O)C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000537960529 1013539859 /nfs/dbraw/zinc/53/98/59/1013539859.db2.gz YZGRNBHRKODKDV-VWNXMTODSA-N 2 1 411.977 3.909 20 0 HHADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000537977937 1013554030 /nfs/dbraw/zinc/55/40/30/1013554030.db2.gz BABQVNNGOYGJGR-KRWDZBQOSA-N 2 1 423.985 3.690 20 0 HHADMP COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)c2)cc1 ZINC000537979304 1013555723 /nfs/dbraw/zinc/55/57/23/1013555723.db2.gz AMRQBCDTIVCDTR-YZZKKUAISA-N 2 1 411.546 3.645 20 0 HHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)cc1 ZINC000053722074 965255542 /nfs/dbraw/zinc/25/55/42/965255542.db2.gz YIHKLUDHEIWTAV-LJQANCHMSA-N 2 1 409.578 3.645 20 0 HHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)cc1 ZINC000053722074 965255553 /nfs/dbraw/zinc/25/55/53/965255553.db2.gz YIHKLUDHEIWTAV-LJQANCHMSA-N 2 1 409.578 3.645 20 0 HHADMP COc1ccc([C@H](NC(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)C2CC2)cc1 ZINC000057889844 965573981 /nfs/dbraw/zinc/57/39/81/965573981.db2.gz GPVHYMMBKXRXIQ-RUZDIDTESA-N 2 1 413.606 3.851 20 0 HHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000553743453 1013583904 /nfs/dbraw/zinc/58/39/04/1013583904.db2.gz IZNXLABJYBHSAC-FQEVSTJZSA-N 2 1 401.526 3.611 20 0 HHADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000553743453 1013583915 /nfs/dbraw/zinc/58/39/15/1013583915.db2.gz IZNXLABJYBHSAC-FQEVSTJZSA-N 2 1 401.526 3.611 20 0 HHADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000553743453 1013583919 /nfs/dbraw/zinc/58/39/19/1013583919.db2.gz IZNXLABJYBHSAC-FQEVSTJZSA-N 2 1 401.526 3.611 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000054718932 965621457 /nfs/dbraw/zinc/62/14/57/965621457.db2.gz UIPGEXGCRCZARZ-RDPSFJRHSA-N 2 1 406.574 3.917 20 0 HHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(OCc3ccncc3)cc2)c2cccs2)CC1 ZINC000030543807 965724416 /nfs/dbraw/zinc/72/44/16/965724416.db2.gz VBZYQHQXQJKUEX-HSZRJFAPSA-N 2 1 422.598 3.800 20 0 HHADMP O=C1N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1C[NH+](CC1CCCCC1)C1CC1 ZINC000060355701 966107832 /nfs/dbraw/zinc/10/78/32/966107832.db2.gz BCMRGYUVLJRUPE-RUZDIDTESA-N 2 1 424.589 3.575 20 0 HHADMP O=C1N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1C[NH+](CC1CCCCC1)C1CC1 ZINC000060355701 966107838 /nfs/dbraw/zinc/10/78/38/966107838.db2.gz BCMRGYUVLJRUPE-RUZDIDTESA-N 2 1 424.589 3.575 20 0 HHADMP O=C1N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C(=O)N1C[N@H+](CC1CCCCC1)C1CC1 ZINC000060355701 966107846 /nfs/dbraw/zinc/10/78/46/966107846.db2.gz BCMRGYUVLJRUPE-RUZDIDTESA-N 2 1 424.589 3.575 20 0 HHADMP O=C1N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C(=O)N1C[N@@H+](CC1CCCCC1)C1CC1 ZINC000060355701 966107851 /nfs/dbraw/zinc/10/78/51/966107851.db2.gz BCMRGYUVLJRUPE-RUZDIDTESA-N 2 1 424.589 3.575 20 0 HHADMP CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000060368511 966116105 /nfs/dbraw/zinc/11/61/05/966116105.db2.gz JVKFFEQAWQSNTG-KSZLIROESA-N 2 1 405.608 3.557 20 0 HHADMP CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000060368511 966116112 /nfs/dbraw/zinc/11/61/12/966116112.db2.gz JVKFFEQAWQSNTG-KSZLIROESA-N 2 1 405.608 3.557 20 0 HHADMP COc1ccc([C@@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C2CC2)cc1 ZINC000538060269 1013636804 /nfs/dbraw/zinc/63/68/04/1013636804.db2.gz XJYWAFZQLHCFQY-VWLOTQADSA-N 2 1 423.557 3.597 20 0 HHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000056846057 966490811 /nfs/dbraw/zinc/49/08/11/966490811.db2.gz OPDDFPOPIMZESR-HXUWFJFHSA-N 2 1 400.611 3.934 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000063148959 966761714 /nfs/dbraw/zinc/76/17/14/966761714.db2.gz UFSPHZMROIADIS-OYRHEFFESA-N 2 1 416.679 3.873 20 0 HHADMP CC[N@H+](C)Cc1cccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)c1 ZINC000064227893 967093617 /nfs/dbraw/zinc/09/36/17/967093617.db2.gz SKIACKRTBCLKNT-UHFFFAOYSA-N 2 1 409.509 3.771 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)c1 ZINC000064227893 967093622 /nfs/dbraw/zinc/09/36/22/967093622.db2.gz SKIACKRTBCLKNT-UHFFFAOYSA-N 2 1 409.509 3.771 20 0 HHADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000542848114 1013707760 /nfs/dbraw/zinc/70/77/60/1013707760.db2.gz HQDFZAORUCPGBC-UQBPGWFLSA-N 2 1 404.558 3.988 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000542848114 1013707769 /nfs/dbraw/zinc/70/77/69/1013707769.db2.gz HQDFZAORUCPGBC-UQBPGWFLSA-N 3 1 404.558 3.988 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000542848114 1013707777 /nfs/dbraw/zinc/70/77/77/1013707777.db2.gz HQDFZAORUCPGBC-UQBPGWFLSA-N 3 1 404.558 3.988 20 0 HHADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(Br)c1 ZINC000542850543 1013709558 /nfs/dbraw/zinc/70/95/58/1013709558.db2.gz YXESRPITXBBMHA-CRAIPNDOSA-N 2 1 419.363 3.875 20 0 HHADMP CN1CC[NH+](Cc2ccc(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)cc2)CC1 ZINC000065104673 967377385 /nfs/dbraw/zinc/37/73/85/967377385.db2.gz JOYVOLSONZFNAQ-UHFFFAOYSA-N 2 1 420.601 3.715 20 0 HHADMP Cc1ccc([C@H](CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)[NH+](C)C)cc1 ZINC000065470198 967483253 /nfs/dbraw/zinc/48/32/53/967483253.db2.gz UXKBSYVMXPJEQT-SFTDATJTSA-N 2 1 402.970 3.853 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000065522701 967505211 /nfs/dbraw/zinc/50/52/11/967505211.db2.gz VAVPICYYZGUIMY-YKSBVNFPSA-N 2 1 406.574 3.570 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000065522701 967505218 /nfs/dbraw/zinc/50/52/18/967505218.db2.gz VAVPICYYZGUIMY-YKSBVNFPSA-N 2 1 406.574 3.570 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000065522701 967505223 /nfs/dbraw/zinc/50/52/23/967505223.db2.gz VAVPICYYZGUIMY-YKSBVNFPSA-N 2 1 406.574 3.570 20 0 HHADMP COc1ccc([C@H](CNC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000065549799 967514439 /nfs/dbraw/zinc/51/44/39/967514439.db2.gz JRHLZDNAEMGEPQ-KNQAVFIVSA-N 2 1 416.610 3.642 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000045757761 967548370 /nfs/dbraw/zinc/54/83/70/967548370.db2.gz MPQRDXRIKNTOBX-HXUWFJFHSA-N 2 1 400.611 3.771 20 0 HHADMP Cc1ccsc1-c1nnc(NC(=O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000542886108 1013733683 /nfs/dbraw/zinc/73/36/83/1013733683.db2.gz QVXYYYLTCSRRJY-AWEZNQCLSA-N 2 1 422.514 3.890 20 0 HHADMP CCc1oc(C(=O)OC)cc1C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000538212239 1013765091 /nfs/dbraw/zinc/76/50/91/1013765091.db2.gz XYVHWUAWODJEES-INIZCTEOSA-N 2 1 417.525 3.760 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)N3CCC(C[N@@H+](C)C(C)C)CC3)c(C)c2)CC1 ZINC000048055965 968401555 /nfs/dbraw/zinc/40/15/55/968401555.db2.gz WTKPLCFWOORQII-UHFFFAOYSA-N 2 1 415.626 3.721 20 0 HHADMP COc1ccc(OC)c([C@@H](C)NC(=O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000538268987 1013809446 /nfs/dbraw/zinc/80/94/46/1013809446.db2.gz SABQFMASDVJMCI-IAGOWNOFSA-N 2 1 422.529 3.726 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000071927171 968892135 /nfs/dbraw/zinc/89/21/35/968892135.db2.gz XPYFGONBPOOEPE-DEOSSOPVSA-N 2 1 406.574 3.658 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000071927171 968892140 /nfs/dbraw/zinc/89/21/40/968892140.db2.gz XPYFGONBPOOEPE-DEOSSOPVSA-N 2 1 406.574 3.658 20 0 HHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000097598781 969176585 /nfs/dbraw/zinc/17/65/85/969176585.db2.gz BOLHKJKQBJYIJJ-BWKNWUBXSA-N 2 1 421.585 3.578 20 0 HHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000097598781 969176587 /nfs/dbraw/zinc/17/65/87/969176587.db2.gz BOLHKJKQBJYIJJ-BWKNWUBXSA-N 2 1 421.585 3.578 20 0 HHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000097598781 969176591 /nfs/dbraw/zinc/17/65/91/969176591.db2.gz BOLHKJKQBJYIJJ-BWKNWUBXSA-N 2 1 421.585 3.578 20 0 HHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000097598781 969176593 /nfs/dbraw/zinc/17/65/93/969176593.db2.gz BOLHKJKQBJYIJJ-BWKNWUBXSA-N 2 1 421.585 3.578 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2c(C)cc(C)nc2OC)CC1 ZINC000554229748 1013863534 /nfs/dbraw/zinc/86/35/34/1013863534.db2.gz FJRUXEXLPHQKRJ-GOSISDBHSA-N 2 1 400.542 3.839 20 0 HHADMP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000109527926 969529082 /nfs/dbraw/zinc/52/90/82/969529082.db2.gz UQGWMEKZFDVZEE-HSZRJFAPSA-N 2 1 409.599 3.881 20 0 HHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000109562848 969533718 /nfs/dbraw/zinc/53/37/18/969533718.db2.gz ZUHRIOFBCWDMPL-VXKWHMMOSA-N 2 1 411.615 3.989 20 0 HHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000109562848 969533727 /nfs/dbraw/zinc/53/37/27/969533727.db2.gz ZUHRIOFBCWDMPL-VXKWHMMOSA-N 2 1 411.615 3.989 20 0 HHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000109562848 969533731 /nfs/dbraw/zinc/53/37/31/969533731.db2.gz ZUHRIOFBCWDMPL-VXKWHMMOSA-N 2 1 411.615 3.989 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)C1CC[NH+](Cc2csc(C)n2)CC1)c1ccccc1 ZINC000110442556 969668925 /nfs/dbraw/zinc/66/89/25/969668925.db2.gz UKZGULRDQBGWLH-JOCHJYFZSA-N 2 1 414.619 3.863 20 0 HHADMP CC[N@@H+](C)[C@@H](C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000110745200 969717044 /nfs/dbraw/zinc/71/70/44/969717044.db2.gz GBWSOIHPADMFII-JXALWOEJSA-N 2 1 409.574 3.605 20 0 HHADMP CC[NH+](C)[C@@H](C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000110745200 969717063 /nfs/dbraw/zinc/71/70/63/969717063.db2.gz GBWSOIHPADMFII-JXALWOEJSA-N 2 1 409.574 3.605 20 0 HHADMP CC[NH+](C)[C@@H](C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000110745200 969717068 /nfs/dbraw/zinc/71/70/68/969717068.db2.gz GBWSOIHPADMFII-JXALWOEJSA-N 2 1 409.574 3.605 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000110789180 969723939 /nfs/dbraw/zinc/72/39/39/969723939.db2.gz LDQCNLOFBHOWMC-UHFFFAOYSA-N 2 1 409.530 3.588 20 0 HHADMP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000195633515 969921488 /nfs/dbraw/zinc/92/14/88/969921488.db2.gz CXNKHQDXMPACCI-FQEVSTJZSA-N 2 1 406.574 3.699 20 0 HHADMP O=C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)NCCCSc1ccccc1 ZINC000117188527 969941159 /nfs/dbraw/zinc/94/11/59/969941159.db2.gz KNDPASNJAFXBHK-UHFFFAOYSA-N 2 1 403.636 3.873 20 0 HHADMP CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000236630440 970149023 /nfs/dbraw/zinc/14/90/23/970149023.db2.gz XUDFFQJRQNPRFJ-IBGZPJMESA-N 2 1 404.986 3.976 20 0 HHADMP c1c(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000236639331 970150191 /nfs/dbraw/zinc/15/01/91/970150191.db2.gz KSKUKHKDGLRDMY-HXUWFJFHSA-N 2 1 417.557 3.525 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000236864375 970182442 /nfs/dbraw/zinc/18/24/42/970182442.db2.gz YSKUVTSFJWPLOP-YOEHRIQHSA-N 2 1 414.344 3.584 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000236864375 970182448 /nfs/dbraw/zinc/18/24/48/970182448.db2.gz YSKUVTSFJWPLOP-YOEHRIQHSA-N 2 1 414.344 3.584 20 0 HHADMP CC[NH+]1CCN(CCCC[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)CC1 ZINC000236940054 970190851 /nfs/dbraw/zinc/19/08/51/970190851.db2.gz DYYAQYVFPNCKFV-UHFFFAOYSA-N 2 1 418.029 3.709 20 0 HHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cs1 ZINC000237044583 970213653 /nfs/dbraw/zinc/21/36/53/970213653.db2.gz YSQGKINUAQNJFJ-UHFFFAOYSA-N 2 1 422.639 3.907 20 0 HHADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000237932937 970398165 /nfs/dbraw/zinc/39/81/65/970398165.db2.gz FBYFNJUVYJOJMA-IBGZPJMESA-N 2 1 415.965 3.596 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000237932937 970398172 /nfs/dbraw/zinc/39/81/72/970398172.db2.gz FBYFNJUVYJOJMA-IBGZPJMESA-N 2 1 415.965 3.596 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(C(F)(F)F)c3)c2)C1 ZINC000237934596 970398772 /nfs/dbraw/zinc/39/87/72/970398772.db2.gz XQBXMDCSLKEAOR-IBGZPJMESA-N 2 1 405.464 3.693 20 0 HHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000237978085 970409018 /nfs/dbraw/zinc/40/90/18/970409018.db2.gz VPMVHYQBEGALLR-GOSISDBHSA-N 2 1 424.408 3.899 20 0 HHADMP O[C@H](C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000237973832 970409188 /nfs/dbraw/zinc/40/91/88/970409188.db2.gz VPPROHCAVQTZPX-HSZRJFAPSA-N 2 1 424.976 3.798 20 0 HHADMP CC[N@@H+](C)[C@H](C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000247964619 970493843 /nfs/dbraw/zinc/49/38/43/970493843.db2.gz GBWSOIHPADMFII-SKPFHBQLSA-N 2 1 409.574 3.605 20 0 HHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000251598068 970547415 /nfs/dbraw/zinc/54/74/15/970547415.db2.gz BOLHKJKQBJYIJJ-PXDATVDWSA-N 2 1 421.585 3.578 20 0 HHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000251598068 970547429 /nfs/dbraw/zinc/54/74/29/970547429.db2.gz BOLHKJKQBJYIJJ-PXDATVDWSA-N 2 1 421.585 3.578 20 0 HHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000251598068 970547438 /nfs/dbraw/zinc/54/74/38/970547438.db2.gz BOLHKJKQBJYIJJ-PXDATVDWSA-N 2 1 421.585 3.578 20 0 HHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000251598068 970547459 /nfs/dbraw/zinc/54/74/59/970547459.db2.gz BOLHKJKQBJYIJJ-PXDATVDWSA-N 2 1 421.585 3.578 20 0 HHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000251598068 970547469 /nfs/dbraw/zinc/54/74/69/970547469.db2.gz BOLHKJKQBJYIJJ-PXDATVDWSA-N 2 1 421.585 3.578 20 0 HHADMP C[NH+]1CCN([C@H](c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)c2ccccc2)CC1 ZINC000554793043 1014049407 /nfs/dbraw/zinc/04/94/07/1014049407.db2.gz XRVKFMXKLXSRJV-QHCPKHFHSA-N 2 1 417.557 3.669 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000410323440 973871997 /nfs/dbraw/zinc/87/19/97/973871997.db2.gz MWICUKCWZUQSSE-UHFFFAOYSA-N 2 1 400.611 3.913 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000410325551 973881886 /nfs/dbraw/zinc/88/18/86/973881886.db2.gz ZGQMVBXZTJBODS-BGYRXZFFSA-N 2 1 400.611 3.627 20 0 HHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2ccnc2)C1 ZINC000426012224 974130483 /nfs/dbraw/zinc/13/04/83/974130483.db2.gz CGHFYUATANJIIN-COPCDDAFSA-N 2 1 409.578 3.921 20 0 HHADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000426038492 974161661 /nfs/dbraw/zinc/16/16/61/974161661.db2.gz ZGBGLGZJKYJVDL-QHCPKHFHSA-N 2 1 400.998 3.882 20 0 HHADMP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426786678 974659364 /nfs/dbraw/zinc/65/93/64/974659364.db2.gz XHYUDAKYQYIQRK-QHAWAJNXSA-N 2 1 401.595 3.842 20 0 HHADMP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426786678 974659366 /nfs/dbraw/zinc/65/93/66/974659366.db2.gz XHYUDAKYQYIQRK-QHAWAJNXSA-N 2 1 401.595 3.842 20 0 HHADMP C[C@H]1C[NH+](CCC2CC[NH+](CC(=O)Nc3cccc4ccccc43)CC2)C[C@H](C)O1 ZINC000426818129 974683377 /nfs/dbraw/zinc/68/33/77/974683377.db2.gz DIRBSMAJRQLLBF-PMACEKPBSA-N 2 1 409.574 3.990 20 0 HHADMP CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000427937629 975357934 /nfs/dbraw/zinc/35/79/34/975357934.db2.gz ZOPAVWNUGBANOX-AUSIDOKSSA-N 2 1 400.611 3.569 20 0 HHADMP CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000427937629 975357941 /nfs/dbraw/zinc/35/79/41/975357941.db2.gz ZOPAVWNUGBANOX-AUSIDOKSSA-N 2 1 400.611 3.569 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000428107972 975440498 /nfs/dbraw/zinc/44/04/98/975440498.db2.gz ORSJCFMKUGAIFK-FCEUIQTBSA-N 2 1 410.562 3.769 20 0 HHADMP CNC(=O)c1cccc(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000428233812 975552918 /nfs/dbraw/zinc/55/29/18/975552918.db2.gz USPILPOFVBLRPK-DSNGMDLFSA-N 2 1 405.586 3.869 20 0 HHADMP C[C@H]1C[C@H](NC(=O)NCCC[NH+]2CCc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000428283288 975596966 /nfs/dbraw/zinc/59/69/66/975596966.db2.gz STSFIJPWELSIQK-SQJMNOBHSA-N 2 1 420.601 3.787 20 0 HHADMP C[C@H]1C[C@H](NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000428283288 975596985 /nfs/dbraw/zinc/59/69/85/975596985.db2.gz STSFIJPWELSIQK-SQJMNOBHSA-N 2 1 420.601 3.787 20 0 HHADMP C[C@H]1C[C@H](NC(=O)NCCC[N@H+]2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000428283288 975596997 /nfs/dbraw/zinc/59/69/97/975596997.db2.gz STSFIJPWELSIQK-SQJMNOBHSA-N 2 1 420.601 3.787 20 0 HHADMP C[C@@H](C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000428532977 975828423 /nfs/dbraw/zinc/82/84/23/975828423.db2.gz HXFWAWOTIFXUOU-CPJSRVTESA-N 2 1 421.585 3.535 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[NH+](C)C)cc1 ZINC000428683708 975975219 /nfs/dbraw/zinc/97/52/19/975975219.db2.gz GDGGXTLBUUTXHH-QDSKXPNFSA-N 2 1 408.590 3.950 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[NH+](C)C)cc1 ZINC000428683707 975975358 /nfs/dbraw/zinc/97/53/58/975975358.db2.gz GDGGXTLBUUTXHH-OYDLWJJNSA-N 2 1 408.590 3.950 20 0 HHADMP c1ccc(-c2noc([C@@H](c3ccccc3)[NH+]3CCC(C[NH+]4CCOCC4)CC3)n2)cc1 ZINC000428787819 976062348 /nfs/dbraw/zinc/06/23/48/976062348.db2.gz QRDMMPZBHQZHIY-HSZRJFAPSA-N 2 1 418.541 3.870 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCC(=O)Nc3ccc(Cl)cc3)CC2)CC1 ZINC000429063018 976349335 /nfs/dbraw/zinc/34/93/35/976349335.db2.gz VQABDQJVYOWGMA-UHFFFAOYSA-N 2 1 421.029 3.797 20 0 HHADMP C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000429063018 976349341 /nfs/dbraw/zinc/34/93/41/976349341.db2.gz VQABDQJVYOWGMA-UHFFFAOYSA-N 3 1 421.029 3.797 20 0 HHADMP C[N@H+](CCC(=O)Nc1ccc(Cl)cc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000429063018 976349357 /nfs/dbraw/zinc/34/93/57/976349357.db2.gz VQABDQJVYOWGMA-UHFFFAOYSA-N 3 1 421.029 3.797 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000429068006 976354029 /nfs/dbraw/zinc/35/40/29/976354029.db2.gz BHTAPUNCWHYUDQ-NMMYMHLASA-N 2 1 421.589 3.742 20 0 HHADMP CC(C)[NH2+]C1CCN(C(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000429498013 976755460 /nfs/dbraw/zinc/75/54/60/976755460.db2.gz ZCZIAAIBQLQDRO-JOCHJYFZSA-N 2 1 400.611 3.631 20 0 HHADMP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000429500789 976756536 /nfs/dbraw/zinc/75/65/36/976756536.db2.gz GOQDTHNKSADEDN-NHCUHLMSSA-N 2 1 409.578 3.772 20 0 HHADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000429500790 976756598 /nfs/dbraw/zinc/75/65/98/976756598.db2.gz GOQDTHNKSADEDN-RTWAWAEBSA-N 2 1 409.578 3.772 20 0 HHADMP CN(C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000429686412 976980234 /nfs/dbraw/zinc/98/02/34/976980234.db2.gz ZHEDDDBKLKTPLN-SANMLTNESA-N 2 1 407.602 3.874 20 0 HHADMP O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000430105244 977321642 /nfs/dbraw/zinc/32/16/42/977321642.db2.gz MZUAASOXOPRSHC-QHCPKHFHSA-N 2 1 409.599 3.630 20 0 HHADMP O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000430105244 977321649 /nfs/dbraw/zinc/32/16/49/977321649.db2.gz MZUAASOXOPRSHC-QHCPKHFHSA-N 2 1 409.599 3.630 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000430660772 977673427 /nfs/dbraw/zinc/67/34/27/977673427.db2.gz FLQOROQYAOWJGY-YGOYIFOWSA-N 2 1 409.549 3.959 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000430660772 977673431 /nfs/dbraw/zinc/67/34/31/977673431.db2.gz FLQOROQYAOWJGY-YGOYIFOWSA-N 2 1 409.549 3.959 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000430660772 977673433 /nfs/dbraw/zinc/67/34/33/977673433.db2.gz FLQOROQYAOWJGY-YGOYIFOWSA-N 2 1 409.549 3.959 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000430660772 977673435 /nfs/dbraw/zinc/67/34/35/977673435.db2.gz FLQOROQYAOWJGY-YGOYIFOWSA-N 2 1 409.549 3.959 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccccc1OC(F)F ZINC000430669428 977681188 /nfs/dbraw/zinc/68/11/88/977681188.db2.gz KSRHLQRBESGOMX-UHFFFAOYSA-N 2 1 409.521 3.556 20 0 HHADMP CC[C@H](Oc1ccccc1F)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430679661 977689622 /nfs/dbraw/zinc/68/96/22/977689622.db2.gz WHBPKRZXYAUENT-QFIPXVFZSA-N 2 1 419.585 3.638 20 0 HHADMP C[C@H](Cc1cccc(F)c1)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430679763 977690001 /nfs/dbraw/zinc/69/00/01/977690001.db2.gz QPUFQMDTIGWKFA-LJQANCHMSA-N 2 1 403.586 3.659 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1(c2cccc(F)c2)CC1 ZINC000430681607 977691740 /nfs/dbraw/zinc/69/17/40/977691740.db2.gz CEOBQLISWJFOJL-UHFFFAOYSA-N 2 1 401.570 3.512 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCCOc1ccc(F)cc1 ZINC000430685854 977695107 /nfs/dbraw/zinc/69/51/07/977695107.db2.gz SLZAGBNNGAXTES-UHFFFAOYSA-N 2 1 419.585 3.639 20 0 HHADMP CCO[C@H](C)c1ncc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000430687140 977695196 /nfs/dbraw/zinc/69/51/96/977695196.db2.gz PGZWZHUFLMARMZ-QGZVFWFLSA-N 2 1 422.639 3.509 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCSC3(CCCCC3)C2)CC1 ZINC000430755935 977731979 /nfs/dbraw/zinc/73/19/79/977731979.db2.gz JRRXTYBBAPJADR-UHFFFAOYSA-N 2 1 415.647 3.827 20 0 HHADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COCc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000430824597 977779828 /nfs/dbraw/zinc/77/98/28/977779828.db2.gz XFBDQFKSFJTGED-PTUXOGIPSA-N 2 1 400.538 3.688 20 0 HHADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COCc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000430824597 977779837 /nfs/dbraw/zinc/77/98/37/977779837.db2.gz XFBDQFKSFJTGED-PTUXOGIPSA-N 2 1 400.538 3.688 20 0 HHADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COCc2ccccc2F)CC[NH+]1Cc1ccccc1 ZINC000430824597 977779846 /nfs/dbraw/zinc/77/98/46/977779846.db2.gz XFBDQFKSFJTGED-PTUXOGIPSA-N 2 1 400.538 3.688 20 0 HHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)COCc2ccccc2F)CC[NH+]1Cc1ccccc1 ZINC000430824597 977779861 /nfs/dbraw/zinc/77/98/61/977779861.db2.gz XFBDQFKSFJTGED-PTUXOGIPSA-N 2 1 400.538 3.688 20 0 HHADMP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430917072 977885790 /nfs/dbraw/zinc/88/57/90/977885790.db2.gz JCSQRBXXUWIYMY-SFHVURJKSA-N 2 1 421.029 3.795 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1nc2ccccc2s1 ZINC000431098513 978017548 /nfs/dbraw/zinc/01/75/48/978017548.db2.gz DJCBAQFXUUZDNE-UHFFFAOYSA-N 2 1 415.607 3.956 20 0 HHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000431405062 978278148 /nfs/dbraw/zinc/27/81/48/978278148.db2.gz QAHURCXCRWSHNO-JTHBVZDNSA-N 2 1 416.610 3.583 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000431674770 978428426 /nfs/dbraw/zinc/42/84/26/978428426.db2.gz UUYCBFFIZTYDLC-FDFHNCONSA-N 2 1 404.643 3.793 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000431688901 978436808 /nfs/dbraw/zinc/43/68/08/978436808.db2.gz FRATYHAYORYRJH-AGILITTLSA-N 2 1 406.574 3.613 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000431688901 978436814 /nfs/dbraw/zinc/43/68/14/978436814.db2.gz FRATYHAYORYRJH-AGILITTLSA-N 2 1 406.574 3.613 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000431688901 978436822 /nfs/dbraw/zinc/43/68/22/978436822.db2.gz FRATYHAYORYRJH-AGILITTLSA-N 2 1 406.574 3.613 20 0 HHADMP Cc1ccc([C@H](C)CNC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000431697949 978442850 /nfs/dbraw/zinc/44/28/50/978442850.db2.gz KJVKCWAAROXMKF-OAQYLSRUSA-N 2 1 414.638 3.936 20 0 HHADMP Cc1ccc(CNC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000431791349 978515791 /nfs/dbraw/zinc/51/57/91/978515791.db2.gz NKDVRYWHYNLVTP-UHFFFAOYSA-N 2 1 400.611 3.641 20 0 HHADMP Cc1nc(-c2ccccn2)nc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000431820958 978537273 /nfs/dbraw/zinc/53/72/73/978537273.db2.gz DEUFYRCTDITANF-UHFFFAOYSA-N 2 1 422.621 3.788 20 0 HHADMP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432422043 978804738 /nfs/dbraw/zinc/80/47/38/978804738.db2.gz CFHOYZRSQNVAFP-HOTGVXAUSA-N 2 1 401.473 3.513 20 0 HHADMP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432422043 978804749 /nfs/dbraw/zinc/80/47/49/978804749.db2.gz CFHOYZRSQNVAFP-HOTGVXAUSA-N 2 1 401.473 3.513 20 0 HHADMP O[C@@]1(C[NH2+]C2CC(c3cccc(Br)c3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000432423733 978805810 /nfs/dbraw/zinc/80/58/10/978805810.db2.gz ZPOWODBJFLKYLN-KITAHSCOSA-N 2 1 415.375 3.922 20 0 HHADMP O[C@@]1(C[NH2+]C2CC(c3cccc(Br)c3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000432423733 978805815 /nfs/dbraw/zinc/80/58/15/978805815.db2.gz ZPOWODBJFLKYLN-KITAHSCOSA-N 2 1 415.375 3.922 20 0 HHADMP CCN([C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000432871652 978997183 /nfs/dbraw/zinc/99/71/83/978997183.db2.gz LWMHPONFWIZHBO-SIKLNZKXSA-N 2 1 415.603 3.594 20 0 HHADMP CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433055458 979053681 /nfs/dbraw/zinc/05/36/81/979053681.db2.gz WDFIACLNALPBOH-FQEVSTJZSA-N 2 1 409.578 3.779 20 0 HHADMP CC(C)n1nccc1NC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433055458 979053684 /nfs/dbraw/zinc/05/36/84/979053684.db2.gz WDFIACLNALPBOH-FQEVSTJZSA-N 2 1 409.578 3.779 20 0 HHADMP O=C1[C@@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCCN1CC(F)(F)F ZINC000433168989 979113335 /nfs/dbraw/zinc/11/33/35/979113335.db2.gz PHGOXJOZYASBEU-IBGZPJMESA-N 2 1 409.496 3.528 20 0 HHADMP C[C@H](c1nnnn1-c1ccccc1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433171483 979115352 /nfs/dbraw/zinc/11/53/52/979115352.db2.gz AEMRIFIXDLRKCQ-HXUWFJFHSA-N 2 1 402.546 3.711 20 0 HHADMP C[C@H](c1nnnn1-c1ccccc1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433171483 979115355 /nfs/dbraw/zinc/11/53/55/979115355.db2.gz AEMRIFIXDLRKCQ-HXUWFJFHSA-N 2 1 402.546 3.711 20 0 HHADMP COc1ccccc1[C@H](C)NC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433194301 979132697 /nfs/dbraw/zinc/13/26/97/979132697.db2.gz VTAVGYKLNHILDW-NRFANRHFSA-N 2 1 421.585 3.861 20 0 HHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000433457106 979316115 /nfs/dbraw/zinc/31/61/15/979316115.db2.gz YZKZWBJKXCWIHF-IBGZPJMESA-N 2 1 413.566 3.677 20 0 HHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000433457106 979316120 /nfs/dbraw/zinc/31/61/20/979316120.db2.gz YZKZWBJKXCWIHF-IBGZPJMESA-N 2 1 413.566 3.677 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(-c2ccco2)nn1C(C)C ZINC000433892952 979656285 /nfs/dbraw/zinc/65/62/85/979656285.db2.gz IEALFNXOZSVOAQ-SFHVURJKSA-N 2 1 416.570 3.604 20 0 HHADMP Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000434357647 980113077 /nfs/dbraw/zinc/11/30/77/980113077.db2.gz CCPFLPYXDMVKDE-QHCPKHFHSA-N 2 1 417.557 3.952 20 0 HHADMP C[C@H](C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000434641602 980313929 /nfs/dbraw/zinc/31/39/29/980313929.db2.gz WYFMNDSTSZEMLS-HXUWFJFHSA-N 2 1 407.558 3.571 20 0 HHADMP C[C@H](C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000434641602 980313931 /nfs/dbraw/zinc/31/39/31/980313931.db2.gz WYFMNDSTSZEMLS-HXUWFJFHSA-N 2 1 407.558 3.571 20 0 HHADMP c1[nH+]c(C2CC[NH+](CCCCCn3nnc(-c4ccccc4)n3)CC2)n2c1CCCC2 ZINC000434673062 980332302 /nfs/dbraw/zinc/33/23/02/980332302.db2.gz CVEMOHFUYUHCDW-UHFFFAOYSA-N 2 1 419.577 3.923 20 0 HHADMP O[C@H](CO[C@@H]1CCCc2ccccc21)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434689592 980341280 /nfs/dbraw/zinc/34/12/80/980341280.db2.gz WRYVEDHHDOLFOI-LADGPHEKSA-N 2 1 409.574 3.854 20 0 HHADMP C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000436660384 981497025 /nfs/dbraw/zinc/49/70/25/981497025.db2.gz SONQHCNXJQKDPE-UGKGYDQZSA-N 2 1 407.558 3.640 20 0 HHADMP C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3O)CC2)CC[N@H+]1Cc1ccccc1 ZINC000436660384 981497027 /nfs/dbraw/zinc/49/70/27/981497027.db2.gz SONQHCNXJQKDPE-UGKGYDQZSA-N 2 1 407.558 3.640 20 0 HHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000448212744 981626925 /nfs/dbraw/zinc/62/69/25/981626925.db2.gz JPQJWKRQOQVKIJ-HXUWFJFHSA-N 2 1 423.605 3.959 20 0 HHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000448212744 981626928 /nfs/dbraw/zinc/62/69/28/981626928.db2.gz JPQJWKRQOQVKIJ-HXUWFJFHSA-N 2 1 423.605 3.959 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000448214272 981628537 /nfs/dbraw/zinc/62/85/37/981628537.db2.gz PUIODCCFIAEYHE-NRFANRHFSA-N 2 1 400.611 3.840 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000448217449 981631931 /nfs/dbraw/zinc/63/19/31/981631931.db2.gz MIJUZLYIJQGLLG-NRFANRHFSA-N 2 1 400.611 3.627 20 0 HHADMP C[C@@H]1CCCN(Cc2csc(NC(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)n2)C1 ZINC000448235347 981645017 /nfs/dbraw/zinc/64/50/17/981645017.db2.gz WQGQQZNRUWGTQA-MBOZVWFJSA-N 2 1 417.623 3.856 20 0 HHADMP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000437056586 981727956 /nfs/dbraw/zinc/72/79/56/981727956.db2.gz LERMJWSJGMNUHS-UPVQGACJSA-N 2 1 423.626 3.757 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000437056586 981727958 /nfs/dbraw/zinc/72/79/58/981727958.db2.gz LERMJWSJGMNUHS-UPVQGACJSA-N 2 1 423.626 3.757 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000448460552 981794024 /nfs/dbraw/zinc/79/40/24/981794024.db2.gz CTSVCKMCWCSVPX-AABGKKOBSA-N 2 1 406.640 3.893 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000448462493 981796387 /nfs/dbraw/zinc/79/63/87/981796387.db2.gz UOCVMCQUEQTSMB-HXUWFJFHSA-N 2 1 421.029 3.972 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)[C@@H](C)C1 ZINC000448464801 981799069 /nfs/dbraw/zinc/79/90/69/981799069.db2.gz GBZSIBCAHYRBRP-NZQKXSOJSA-N 2 1 400.611 3.934 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)[NH+]2CCCC2)cc1 ZINC000448466218 981801098 /nfs/dbraw/zinc/80/10/98/981801098.db2.gz LRIOBSGGHHHGJM-JRFVFWCSSA-N 2 1 410.606 3.790 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[NH+](CC(C)C)C1 ZINC000448467176 981803533 /nfs/dbraw/zinc/80/35/33/981803533.db2.gz PLJYOJUAHGTOGW-RPWUZVMVSA-N 2 1 414.638 3.908 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000448467176 981803542 /nfs/dbraw/zinc/80/35/42/981803542.db2.gz PLJYOJUAHGTOGW-RPWUZVMVSA-N 2 1 414.638 3.908 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000448467176 981803553 /nfs/dbraw/zinc/80/35/53/981803553.db2.gz PLJYOJUAHGTOGW-RPWUZVMVSA-N 2 1 414.638 3.908 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000448468210 981805839 /nfs/dbraw/zinc/80/58/39/981805839.db2.gz UQFIZKOPMBOCRY-SVFBPWRDSA-N 2 1 406.640 3.798 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000448468210 981805844 /nfs/dbraw/zinc/80/58/44/981805844.db2.gz UQFIZKOPMBOCRY-SVFBPWRDSA-N 2 1 406.640 3.798 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000448468210 981805848 /nfs/dbraw/zinc/80/58/48/981805848.db2.gz UQFIZKOPMBOCRY-SVFBPWRDSA-N 2 1 406.640 3.798 20 0 HHADMP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448468583 981807063 /nfs/dbraw/zinc/80/70/63/981807063.db2.gz VIJZZKXPQPGEFO-VWNXMTODSA-N 2 1 410.606 3.831 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)[C@@H](C)C1 ZINC000448468723 981807292 /nfs/dbraw/zinc/80/72/92/981807292.db2.gz WGZVCPJFWVKEAG-JTAQYXEDSA-N 2 1 400.611 3.790 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)[C@@H](C)C1 ZINC000448468723 981807299 /nfs/dbraw/zinc/80/72/99/981807299.db2.gz WGZVCPJFWVKEAG-JTAQYXEDSA-N 2 1 400.611 3.790 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)[C@@H](C)C1 ZINC000448468723 981807306 /nfs/dbraw/zinc/80/73/06/981807306.db2.gz WGZVCPJFWVKEAG-JTAQYXEDSA-N 2 1 400.611 3.790 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000448469706 981808955 /nfs/dbraw/zinc/80/89/55/981808955.db2.gz AZOGSFQUXOJYAV-GGAORHGYSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000448469706 981808963 /nfs/dbraw/zinc/80/89/63/981808963.db2.gz AZOGSFQUXOJYAV-GGAORHGYSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000448469706 981808976 /nfs/dbraw/zinc/80/89/76/981808976.db2.gz AZOGSFQUXOJYAV-GGAORHGYSA-N 2 1 400.611 3.660 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)[C@@H](C)C1 ZINC000448521129 981849309 /nfs/dbraw/zinc/84/93/09/981849309.db2.gz NDXLWKGTFKTNFZ-HIUFNZKISA-N 2 1 400.611 3.515 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460168607 981940419 /nfs/dbraw/zinc/94/04/19/981940419.db2.gz JFWARCDXLPDZBQ-JRFVFWCSSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460168607 981940426 /nfs/dbraw/zinc/94/04/26/981940426.db2.gz JFWARCDXLPDZBQ-JRFVFWCSSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460168607 981940431 /nfs/dbraw/zinc/94/04/31/981940431.db2.gz JFWARCDXLPDZBQ-JRFVFWCSSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000437489025 982116355 /nfs/dbraw/zinc/11/63/55/982116355.db2.gz FTDQKQVVQVOSIT-OAQYLSRUSA-N 2 1 423.626 3.972 20 0 HHADMP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)CCCn2cc[nH+]c2C)CC1 ZINC000437539699 982168425 /nfs/dbraw/zinc/16/84/25/982168425.db2.gz UGLIXYSXUJCVHS-UHFFFAOYSA-N 2 1 418.973 3.541 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1F ZINC000437655170 982272972 /nfs/dbraw/zinc/27/29/72/982272972.db2.gz LINNDALVQCIDMV-FQEVSTJZSA-N 2 1 413.541 3.916 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1F ZINC000437655170 982272975 /nfs/dbraw/zinc/27/29/75/982272975.db2.gz LINNDALVQCIDMV-FQEVSTJZSA-N 2 1 413.541 3.916 20 0 HHADMP C[C@H]1CCN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000437741502 982331036 /nfs/dbraw/zinc/33/10/36/982331036.db2.gz BVUIMTHAVKQMFE-FQEVSTJZSA-N 2 1 410.562 3.755 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC[C@@H]3CCC[NH+]3C3CCCCC3)cc2)C[C@H](C)O1 ZINC000437853233 982410940 /nfs/dbraw/zinc/41/09/40/982410940.db2.gz OAGKJZZIOWQLEN-ROKPMTFOSA-N 2 1 413.606 3.823 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC[C@@H]3CCC[NH+]3C3CCCCC3)cc2)C[C@H](C)O1 ZINC000437853233 982410943 /nfs/dbraw/zinc/41/09/43/982410943.db2.gz OAGKJZZIOWQLEN-ROKPMTFOSA-N 2 1 413.606 3.823 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)cc2)C[C@H](C)O1 ZINC000437853233 982410946 /nfs/dbraw/zinc/41/09/46/982410946.db2.gz OAGKJZZIOWQLEN-ROKPMTFOSA-N 2 1 413.606 3.823 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)cc2)C[C@H](C)O1 ZINC000437853233 982410951 /nfs/dbraw/zinc/41/09/51/982410951.db2.gz OAGKJZZIOWQLEN-ROKPMTFOSA-N 2 1 413.606 3.823 20 0 HHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000438060172 982561127 /nfs/dbraw/zinc/56/11/27/982561127.db2.gz PNQQSGUAHZTVFG-OAQYLSRUSA-N 2 1 402.583 3.793 20 0 HHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000438157932 982621660 /nfs/dbraw/zinc/62/16/60/982621660.db2.gz QCAVCCPNBVYGSC-FQEVSTJZSA-N 2 1 400.567 3.740 20 0 HHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000438157932 982621665 /nfs/dbraw/zinc/62/16/65/982621665.db2.gz QCAVCCPNBVYGSC-FQEVSTJZSA-N 2 1 400.567 3.740 20 0 HHADMP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000438185806 982638925 /nfs/dbraw/zinc/63/89/25/982638925.db2.gz FEUIVFPTYBCZJR-FBILRYNDSA-N 2 1 405.586 3.984 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(N2CCC(C)CC2)c1 ZINC000438306996 982713448 /nfs/dbraw/zinc/71/34/48/982713448.db2.gz SYCBGQODTNSNPL-QHCPKHFHSA-N 2 1 415.626 3.803 20 0 HHADMP Cc1cc(CNC(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc(N2CCCC2)[nH+]1 ZINC000461209492 982923423 /nfs/dbraw/zinc/92/34/23/982923423.db2.gz AVVQHTNKPPLFCC-WMZHIEFXSA-N 2 1 409.578 3.789 20 0 HHADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000461433718 983096871 /nfs/dbraw/zinc/09/68/71/983096871.db2.gz WSZVCXHZQRLTCJ-GVAUOCQISA-N 2 1 403.570 3.632 20 0 HHADMP O=C([C@@H]1CCC[NH+]1Cc1ccccc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461433718 983096875 /nfs/dbraw/zinc/09/68/75/983096875.db2.gz WSZVCXHZQRLTCJ-GVAUOCQISA-N 2 1 403.570 3.632 20 0 HHADMP O=C([C@@H]1CCC[NH+]1Cc1ccccc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461433718 983096881 /nfs/dbraw/zinc/09/68/81/983096881.db2.gz WSZVCXHZQRLTCJ-GVAUOCQISA-N 2 1 403.570 3.632 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000438842786 983110488 /nfs/dbraw/zinc/11/04/88/983110488.db2.gz SVJDIPHVPHNQKO-GBXCKJPGSA-N 2 1 421.589 3.571 20 0 HHADMP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000438971506 983186708 /nfs/dbraw/zinc/18/67/08/983186708.db2.gz GXOXHFPZXNIYPK-CVDCTZTESA-N 2 1 415.626 3.505 20 0 HHADMP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000438971506 983186712 /nfs/dbraw/zinc/18/67/12/983186712.db2.gz GXOXHFPZXNIYPK-CVDCTZTESA-N 2 1 415.626 3.505 20 0 HHADMP C[N@@H+](Cc1ccccc1NC(=O)NCCN1CC[NH+](C)C(C)(C)C1)C1CCCCC1 ZINC000441254070 984140914 /nfs/dbraw/zinc/14/09/14/984140914.db2.gz MDMJBJAQZUZCHT-UHFFFAOYSA-N 2 1 415.626 3.599 20 0 HHADMP C[NH+](Cc1ccccc1NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000441254070 984140917 /nfs/dbraw/zinc/14/09/17/984140917.db2.gz MDMJBJAQZUZCHT-UHFFFAOYSA-N 2 1 415.626 3.599 20 0 HHADMP C[NH+](Cc1ccccc1NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000441254070 984140921 /nfs/dbraw/zinc/14/09/21/984140921.db2.gz MDMJBJAQZUZCHT-UHFFFAOYSA-N 2 1 415.626 3.599 20 0 HHADMP CCC[N@H+](CCC(=O)N(C)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000441255532 984141397 /nfs/dbraw/zinc/14/13/97/984141397.db2.gz HCFWRKPTXVFHCS-UHFFFAOYSA-N 2 1 409.578 3.827 20 0 HHADMP CCC[N@@H+](CCC(=O)N(C)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000441255532 984141402 /nfs/dbraw/zinc/14/14/02/984141402.db2.gz HCFWRKPTXVFHCS-UHFFFAOYSA-N 2 1 409.578 3.827 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000441270453 984150602 /nfs/dbraw/zinc/15/06/02/984150602.db2.gz UIPYMHSULWZRKJ-UCFCWBNQSA-N 2 1 423.557 3.991 20 0 HHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000441356063 984204766 /nfs/dbraw/zinc/20/47/66/984204766.db2.gz LESSKGQTDJZIBX-HOTGVXAUSA-N 2 1 419.791 3.648 20 0 HHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000441356063 984204775 /nfs/dbraw/zinc/20/47/75/984204775.db2.gz LESSKGQTDJZIBX-HOTGVXAUSA-N 2 1 419.791 3.648 20 0 HHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000441356063 984204780 /nfs/dbraw/zinc/20/47/80/984204780.db2.gz LESSKGQTDJZIBX-HOTGVXAUSA-N 2 1 419.791 3.648 20 0 HHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000441356063 984204786 /nfs/dbraw/zinc/20/47/86/984204786.db2.gz LESSKGQTDJZIBX-HOTGVXAUSA-N 2 1 419.791 3.648 20 0 HHADMP C[N@@H+](C[C@H](O)CO[C@@H]1CCCc2ccccc21)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000441630222 984364146 /nfs/dbraw/zinc/36/41/46/984364146.db2.gz XULSZRPVAFZLKK-LLZJGCNPSA-N 2 1 408.586 3.895 20 0 HHADMP C[NH+](C[C@H](O)CO[C@@H]1CCCc2ccccc21)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000441630222 984364149 /nfs/dbraw/zinc/36/41/49/984364149.db2.gz XULSZRPVAFZLKK-LLZJGCNPSA-N 2 1 408.586 3.895 20 0 HHADMP C[NH+](C[C@H](O)CO[C@@H]1CCCc2ccccc21)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000441630222 984364157 /nfs/dbraw/zinc/36/41/57/984364157.db2.gz XULSZRPVAFZLKK-LLZJGCNPSA-N 2 1 408.586 3.895 20 0 HHADMP C[C@H]1C[C@@H](N(C)C(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000442240900 984762042 /nfs/dbraw/zinc/76/20/42/984762042.db2.gz JAVDEKPFVKZHFZ-OZRWQMGGSA-N 2 1 400.611 3.801 20 0 HHADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3cc(C[NH+]4CCCC4)on3)cc2)C1 ZINC000461910808 984925940 /nfs/dbraw/zinc/92/59/40/984925940.db2.gz PGPSJINJCDKMIF-OALUTQOASA-N 2 1 410.562 3.678 20 0 HHADMP COCC[NH+]1CCC(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462114859 985085256 /nfs/dbraw/zinc/08/52/56/985085256.db2.gz YJTDARXPPBEYCY-RXVVDRJESA-N 2 1 413.528 3.789 20 0 HHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000442785118 985215099 /nfs/dbraw/zinc/21/50/99/985215099.db2.gz WUGYRMVLPFRRIK-XLIONFOSSA-N 2 1 411.512 3.874 20 0 HHADMP Cc1cc(CNC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc(N2CCCC2)[nH+]1 ZINC000462261510 985248759 /nfs/dbraw/zinc/24/87/59/985248759.db2.gz RHMFVZPWWVYGJF-OAQYLSRUSA-N 2 1 413.610 3.644 20 0 HHADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)C1 ZINC000442963931 985305142 /nfs/dbraw/zinc/30/51/42/985305142.db2.gz HWSPRYSMTNVBPM-OTNCWRBYSA-N 2 1 406.574 3.911 20 0 HHADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)C1 ZINC000442963931 985305154 /nfs/dbraw/zinc/30/51/54/985305154.db2.gz HWSPRYSMTNVBPM-OTNCWRBYSA-N 2 1 406.574 3.911 20 0 HHADMP Cc1cccc2c(NCc3cccc(C[N@H+]4CCC[C@H](C(N)=O)C4)c3)c(C)c[nH+]c12 ZINC000462488028 985441846 /nfs/dbraw/zinc/44/18/46/985441846.db2.gz HCBFAVQGJUGXET-NRFANRHFSA-N 2 1 402.542 3.583 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443345286 985509927 /nfs/dbraw/zinc/50/99/27/985509927.db2.gz MOCUIBJQKDHHMT-HXUWFJFHSA-N 2 1 413.606 3.579 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443345286 985509935 /nfs/dbraw/zinc/50/99/35/985509935.db2.gz MOCUIBJQKDHHMT-HXUWFJFHSA-N 2 1 413.606 3.579 20 0 HHADMP Cc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000467923961 985557116 /nfs/dbraw/zinc/55/71/16/985557116.db2.gz DTSDRGBQQAUVDE-NRFANRHFSA-N 2 1 410.562 3.579 20 0 HHADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000462750248 985690755 /nfs/dbraw/zinc/69/07/55/985690755.db2.gz NHGGMWBWICJQCO-DEOSSOPVSA-N 2 1 412.622 3.806 20 0 HHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000443634764 985815149 /nfs/dbraw/zinc/81/51/49/985815149.db2.gz SRCGFKJHYNDGLX-DYESRHJHSA-N 2 1 407.002 3.534 20 0 HHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000443646002 985837702 /nfs/dbraw/zinc/83/77/02/985837702.db2.gz CLJXEMCHVPQDHU-NTKDMRAZSA-N 2 1 408.590 3.897 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1ccc(Br)cc1OCCCO ZINC000462966286 985911892 /nfs/dbraw/zinc/91/18/92/985911892.db2.gz NIANAZASCHCMLM-WQANXHIZSA-N 2 1 411.384 3.734 20 0 HHADMP Clc1cccc(-c2ccc(C[NH+]3CCN(CC[N@@H+]4CCCOCC4)CC3)s2)c1 ZINC000463074219 986031247 /nfs/dbraw/zinc/03/12/47/986031247.db2.gz BDPILAYIJKQMGN-UHFFFAOYSA-N 2 1 420.022 3.908 20 0 HHADMP Clc1cccc(-c2ccc(C[NH+]3CCN(CC[N@H+]4CCCOCC4)CC3)s2)c1 ZINC000463074219 986031261 /nfs/dbraw/zinc/03/12/61/986031261.db2.gz BDPILAYIJKQMGN-UHFFFAOYSA-N 2 1 420.022 3.908 20 0 HHADMP Brc1ccc2nc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)oc2c1 ZINC000463103146 986063975 /nfs/dbraw/zinc/06/39/75/986063975.db2.gz UKWNKLOWYMUISW-UHFFFAOYSA-N 2 1 408.340 3.667 20 0 HHADMP COCc1cc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc(C(C)(C)C)n1 ZINC000443874130 986074439 /nfs/dbraw/zinc/07/44/39/986074439.db2.gz AEWSMOSFDNUMLP-UHFFFAOYSA-N 2 1 417.642 3.553 20 0 HHADMP C[C@H]1C[C@H]([NH2+]C2CCC(C(=O)N3CCSCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463121059 986085325 /nfs/dbraw/zinc/08/53/25/986085325.db2.gz YQCOJHHDAHNSFJ-MALGCSLJSA-N 2 1 415.647 3.763 20 0 HHADMP C[C@H]1C[C@H]([NH2+]C2CCC(C(=O)N3CCSCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463121059 986085336 /nfs/dbraw/zinc/08/53/36/986085336.db2.gz YQCOJHHDAHNSFJ-MALGCSLJSA-N 2 1 415.647 3.763 20 0 HHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C3CCN(CCC(F)(F)F)CC3)CC2)cs1 ZINC000463147858 986117821 /nfs/dbraw/zinc/11/78/21/986117821.db2.gz QTZKOZPORPGGJN-UHFFFAOYSA-N 2 1 418.573 3.924 20 0 HHADMP COc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000468425657 986124393 /nfs/dbraw/zinc/12/43/93/986124393.db2.gz AMPGADYPSLOOGJ-AUSIDOKSSA-N 2 1 409.574 3.503 20 0 HHADMP COc1cc(OC)cc(N2CC[C@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC000463187450 986158723 /nfs/dbraw/zinc/15/87/23/986158723.db2.gz BIBZDMZBXKHMEZ-QFIPXVFZSA-N 2 1 409.574 3.579 20 0 HHADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000463187880 986158764 /nfs/dbraw/zinc/15/87/64/986158764.db2.gz FEMKAYLTHNBHIF-SXOMAYOGSA-N 2 1 421.629 3.963 20 0 HHADMP COc1cc(OC)cc(N2CC[C@H](C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC000463192805 986164859 /nfs/dbraw/zinc/16/48/59/986164859.db2.gz QEBZYYIAORHNMN-JOCHJYFZSA-N 2 1 423.601 3.827 20 0 HHADMP C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000468509180 986209934 /nfs/dbraw/zinc/20/99/34/986209934.db2.gz BDXQTQINBAMBBA-XZOQPEGZSA-N 2 1 411.977 3.766 20 0 HHADMP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC000444035239 986232138 /nfs/dbraw/zinc/23/21/38/986232138.db2.gz JCNBBZQLUPMVQO-IEBWSBKVSA-N 2 1 422.017 3.818 20 0 HHADMP Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463270700 986237013 /nfs/dbraw/zinc/23/70/13/986237013.db2.gz YZDMGQFWHAHGIU-QMZRJTEUSA-N 2 1 414.569 3.847 20 0 HHADMP Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463270700 986237022 /nfs/dbraw/zinc/23/70/22/986237022.db2.gz YZDMGQFWHAHGIU-QMZRJTEUSA-N 2 1 414.569 3.847 20 0 HHADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000463292577 986259733 /nfs/dbraw/zinc/25/97/33/986259733.db2.gz WHXJJKFSXOSTRY-NSHDSACASA-N 2 1 405.178 3.615 20 0 HHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000463292577 986259745 /nfs/dbraw/zinc/25/97/45/986259745.db2.gz WHXJJKFSXOSTRY-NSHDSACASA-N 2 1 405.178 3.615 20 0 HHADMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H](c3ncc[nH]3)C2)C1 ZINC000444136898 986326479 /nfs/dbraw/zinc/32/64/79/986326479.db2.gz YWOJZDYIAMCSCQ-SFHVURJKSA-N 2 1 405.546 3.537 20 0 HHADMP CC[NH+](Cc1cc(Br)ccc1C[N@H+](CC)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000463447633 986427457 /nfs/dbraw/zinc/42/74/57/986427457.db2.gz ZQVGRUYCIZJGGB-WOJBJXKFSA-N 2 1 411.384 3.671 20 0 HHADMP CC[NH+](Cc1ccc(Br)cc1C[N@H+](CC)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000463447633 986427462 /nfs/dbraw/zinc/42/74/62/986427462.db2.gz ZQVGRUYCIZJGGB-WOJBJXKFSA-N 2 1 411.384 3.671 20 0 HHADMP CC[NH+](Cc1ccc(Br)cc1C[N@@H+](CC)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000463447633 986427469 /nfs/dbraw/zinc/42/74/69/986427469.db2.gz ZQVGRUYCIZJGGB-WOJBJXKFSA-N 2 1 411.384 3.671 20 0 HHADMP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000468717097 986431205 /nfs/dbraw/zinc/43/12/05/986431205.db2.gz MSKBCTSZRLPTKC-UHFFFAOYSA-N 2 1 412.537 3.910 20 0 HHADMP O=C(c1cnn(-c2cc[nH+]cc2)c1C(F)F)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000468862887 986572234 /nfs/dbraw/zinc/57/22/34/986572234.db2.gz FMNCDMBDJIODKH-QGZVFWFLSA-N 2 1 417.504 3.933 20 0 HHADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)c2sc(-c3ccccc3)nc2C)CC1 ZINC000468896952 986604212 /nfs/dbraw/zinc/60/42/12/986604212.db2.gz ILPIMYNAZQPNFJ-KRWDZBQOSA-N 2 1 400.592 3.712 20 0 HHADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)c2sc(-c3ccccc3)nc2C)CC1 ZINC000468896952 986604218 /nfs/dbraw/zinc/60/42/18/986604218.db2.gz ILPIMYNAZQPNFJ-KRWDZBQOSA-N 2 1 400.592 3.712 20 0 HHADMP O=C(c1cnn(-c2cc[nH+]cc2)c1C(F)F)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000468923866 986629707 /nfs/dbraw/zinc/62/97/07/986629707.db2.gz KFRQEAXBOHCYBB-UHFFFAOYSA-N 2 1 417.504 3.933 20 0 HHADMP O=C(c1cnn(-c2cc[nH+]cc2)c1C(F)F)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000468923866 986629709 /nfs/dbraw/zinc/62/97/09/986629709.db2.gz KFRQEAXBOHCYBB-UHFFFAOYSA-N 2 1 417.504 3.933 20 0 HHADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3nc(-c4ccccc4F)no3)CC2)C[C@H](C)O1 ZINC000444619329 986804994 /nfs/dbraw/zinc/80/49/94/986804994.db2.gz JTUFDPCFIJCKFO-CALCHBBNSA-N 2 1 402.514 3.587 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3nc(-c4ccccc4F)no3)CC2)C[C@H](C)O1 ZINC000444619329 986805009 /nfs/dbraw/zinc/80/50/09/986805009.db2.gz JTUFDPCFIJCKFO-CALCHBBNSA-N 2 1 402.514 3.587 20 0 HHADMP CC1CCC([NH+]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3C(F)F)CC2)CC1 ZINC000469440028 987126440 /nfs/dbraw/zinc/12/64/40/987126440.db2.gz DKYJMWVGJUAZLM-UHFFFAOYSA-N 2 1 403.477 3.541 20 0 HHADMP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000469567670 987236699 /nfs/dbraw/zinc/23/66/99/987236699.db2.gz VZIQUEVXRIEIOE-QFIPXVFZSA-N 2 1 411.594 3.541 20 0 HHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000469567670 987236703 /nfs/dbraw/zinc/23/67/03/987236703.db2.gz VZIQUEVXRIEIOE-QFIPXVFZSA-N 2 1 411.594 3.541 20 0 HHADMP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000469567669 987236779 /nfs/dbraw/zinc/23/67/79/987236779.db2.gz VZIQUEVXRIEIOE-JOCHJYFZSA-N 2 1 411.594 3.541 20 0 HHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000469567669 987236784 /nfs/dbraw/zinc/23/67/84/987236784.db2.gz VZIQUEVXRIEIOE-JOCHJYFZSA-N 2 1 411.594 3.541 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000469761659 987415093 /nfs/dbraw/zinc/41/50/93/987415093.db2.gz AVGZBHDWEJRWNN-YPGOJHLTSA-N 2 1 417.500 3.973 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000469761659 987415095 /nfs/dbraw/zinc/41/50/95/987415095.db2.gz AVGZBHDWEJRWNN-YPGOJHLTSA-N 2 1 417.500 3.973 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)[C@H](C)C1 ZINC000469789609 987434398 /nfs/dbraw/zinc/43/43/98/987434398.db2.gz ZDBMTYHEPHUHSG-XCJLJZCSSA-N 2 1 415.578 3.725 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)[C@H](C)C1 ZINC000469789609 987434404 /nfs/dbraw/zinc/43/44/04/987434404.db2.gz ZDBMTYHEPHUHSG-XCJLJZCSSA-N 2 1 415.578 3.725 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000469791170 987436169 /nfs/dbraw/zinc/43/61/69/987436169.db2.gz PXLDWBSYZWCYJB-LQWHRVPQSA-N 2 1 410.002 3.586 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000469791170 987436174 /nfs/dbraw/zinc/43/61/74/987436174.db2.gz PXLDWBSYZWCYJB-LQWHRVPQSA-N 2 1 410.002 3.586 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)C1 ZINC000469866701 987503353 /nfs/dbraw/zinc/50/33/53/987503353.db2.gz RBCMNKCDJZHZFO-ZRCGQRJVSA-N 2 1 409.578 3.908 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)CC1 ZINC000470004722 987617340 /nfs/dbraw/zinc/61/73/40/987617340.db2.gz ULLURXJVDSAYNU-LJQANCHMSA-N 2 1 411.512 3.738 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)CC1 ZINC000470004722 987617342 /nfs/dbraw/zinc/61/73/42/987617342.db2.gz ULLURXJVDSAYNU-LJQANCHMSA-N 2 1 411.512 3.738 20 0 HHADMP O=C(C[NH2+][C@@H](c1cccnc1)C1CC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000445769082 987831486 /nfs/dbraw/zinc/83/14/86/987831486.db2.gz SZFHCAKUFPYSAF-FYYLOGMGSA-N 2 1 412.965 3.729 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000463965852 988078577 /nfs/dbraw/zinc/07/85/77/988078577.db2.gz BFDHCIPLMXUFGQ-PMACEKPBSA-N 2 1 400.592 3.514 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000470167871 988082148 /nfs/dbraw/zinc/08/21/48/988082148.db2.gz FNUBOIOGCCRSGR-IPQPSQTFSA-N 2 1 412.500 3.623 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cccs1 ZINC000463972356 988084883 /nfs/dbraw/zinc/08/48/83/988084883.db2.gz VYWKAIUOSXLMSK-FCEWJHQRSA-N 2 1 406.621 3.795 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C[C@@H]1C ZINC000470278859 988233618 /nfs/dbraw/zinc/23/36/18/988233618.db2.gz HYSVVSMJJKJZDT-ZYSHUDEJSA-N 2 1 414.516 3.822 20 0 HHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000470283016 988240003 /nfs/dbraw/zinc/24/00/03/988240003.db2.gz LXIOYHOOCLMIMA-HSZRJFAPSA-N 2 1 400.611 3.660 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000470497643 988490868 /nfs/dbraw/zinc/49/08/68/988490868.db2.gz QPCUCFIMCKMIIO-RDPSFJRHSA-N 2 1 423.605 3.867 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000470497641 988491171 /nfs/dbraw/zinc/49/11/71/988491171.db2.gz QPCUCFIMCKMIIO-GBXCKJPGSA-N 2 1 423.605 3.867 20 0 HHADMP COc1ccccc1S(=O)(=O)CCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000464494990 988667474 /nfs/dbraw/zinc/66/74/74/988667474.db2.gz BDTISVPFCQEWII-QGZVFWFLSA-N 2 1 413.543 3.704 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000470721055 988747021 /nfs/dbraw/zinc/74/70/21/988747021.db2.gz BDWZCJWPTSWYRZ-VXKWHMMOSA-N 2 1 412.578 3.969 20 0 HHADMP CN(C(=O)NCCC[NH+]1CCc2ccccc2C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470745801 988786034 /nfs/dbraw/zinc/78/60/34/988786034.db2.gz LZVLUUDHABLYKT-RUZDIDTESA-N 2 1 420.601 3.741 20 0 HHADMP CN(C(=O)NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470745801 988786043 /nfs/dbraw/zinc/78/60/43/988786043.db2.gz LZVLUUDHABLYKT-RUZDIDTESA-N 2 1 420.601 3.741 20 0 HHADMP CN(C(=O)NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470745801 988786059 /nfs/dbraw/zinc/78/60/59/988786059.db2.gz LZVLUUDHABLYKT-RUZDIDTESA-N 2 1 420.601 3.741 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N(C)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000470747942 988788757 /nfs/dbraw/zinc/78/87/57/988788757.db2.gz UKQXWDFRKSKVLV-JTHBVZDNSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@H]1CCC[NH+](CCCCNC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000470747942 988788763 /nfs/dbraw/zinc/78/87/63/988788763.db2.gz UKQXWDFRKSKVLV-JTHBVZDNSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@H]1CCC[NH+](CCCCNC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000470747942 988788776 /nfs/dbraw/zinc/78/87/76/988788776.db2.gz UKQXWDFRKSKVLV-JTHBVZDNSA-N 2 1 400.611 3.805 20 0 HHADMP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@@H](C[N@@H+](C)CC4CC4)C3)cc2)CC1 ZINC000470754596 988796320 /nfs/dbraw/zinc/79/63/20/988796320.db2.gz IRZBJAVNKMLJIB-DEOSSOPVSA-N 2 1 412.622 3.792 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000470882662 988953307 /nfs/dbraw/zinc/95/33/07/988953307.db2.gz FNONALGISOXVDO-OAQYLSRUSA-N 2 1 424.589 3.785 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000470882662 988953312 /nfs/dbraw/zinc/95/33/12/988953312.db2.gz FNONALGISOXVDO-OAQYLSRUSA-N 2 1 424.589 3.785 20 0 HHADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C1 ZINC000470882662 988953316 /nfs/dbraw/zinc/95/33/16/988953316.db2.gz FNONALGISOXVDO-OAQYLSRUSA-N 2 1 424.589 3.785 20 0 HHADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000470882662 988953319 /nfs/dbraw/zinc/95/33/19/988953319.db2.gz FNONALGISOXVDO-OAQYLSRUSA-N 2 1 424.589 3.785 20 0 HHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000470968387 989032604 /nfs/dbraw/zinc/03/26/04/989032604.db2.gz PXNCEICSCSMVEA-QFIPXVFZSA-N 2 1 405.586 3.946 20 0 HHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000470968387 989032618 /nfs/dbraw/zinc/03/26/18/989032618.db2.gz PXNCEICSCSMVEA-QFIPXVFZSA-N 2 1 405.586 3.946 20 0 HHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000470968387 989032627 /nfs/dbraw/zinc/03/26/27/989032627.db2.gz PXNCEICSCSMVEA-QFIPXVFZSA-N 2 1 405.586 3.946 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)C1 ZINC000464819408 989056552 /nfs/dbraw/zinc/05/65/52/989056552.db2.gz AZJGWQBUFJZTQE-RTWAWAEBSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1 ZINC000464819408 989056561 /nfs/dbraw/zinc/05/65/61/989056561.db2.gz AZJGWQBUFJZTQE-RTWAWAEBSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000464819408 989056568 /nfs/dbraw/zinc/05/65/68/989056568.db2.gz AZJGWQBUFJZTQE-RTWAWAEBSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)C1 ZINC000464819406 989056648 /nfs/dbraw/zinc/05/66/48/989056648.db2.gz AZJGWQBUFJZTQE-LEWJYISDSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000464819406 989056658 /nfs/dbraw/zinc/05/66/58/989056658.db2.gz AZJGWQBUFJZTQE-LEWJYISDSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000464819406 989056666 /nfs/dbraw/zinc/05/66/66/989056666.db2.gz AZJGWQBUFJZTQE-LEWJYISDSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)C1 ZINC000464819407 989057062 /nfs/dbraw/zinc/05/70/62/989057062.db2.gz AZJGWQBUFJZTQE-NHCUHLMSSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1 ZINC000464819407 989057069 /nfs/dbraw/zinc/05/70/69/989057069.db2.gz AZJGWQBUFJZTQE-NHCUHLMSSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000464819407 989057081 /nfs/dbraw/zinc/05/70/81/989057081.db2.gz AZJGWQBUFJZTQE-NHCUHLMSSA-N 2 1 400.611 3.838 20 0 HHADMP O[C@H](CO[C@H]1CCCc2ccccc21)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471007020 989075160 /nfs/dbraw/zinc/07/51/60/989075160.db2.gz LOTDMNXHHAXPJB-UHCVVMIDSA-N 2 1 406.570 3.505 20 0 HHADMP O[C@H](CO[C@H]1CCCc2ccccc21)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471007020 989075164 /nfs/dbraw/zinc/07/51/64/989075164.db2.gz LOTDMNXHHAXPJB-UHCVVMIDSA-N 2 1 406.570 3.505 20 0 HHADMP O[C@H](CO[C@H]1CCCc2ccccc21)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471007020 989075169 /nfs/dbraw/zinc/07/51/69/989075169.db2.gz LOTDMNXHHAXPJB-UHCVVMIDSA-N 2 1 406.570 3.505 20 0 HHADMP COc1ccc([C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[NH+]2CCCCC2)cc1 ZINC000465407335 989754388 /nfs/dbraw/zinc/75/43/88/989754388.db2.gz KFTYIFOJLYXAMM-VYTWWXLVSA-N 2 1 414.594 3.537 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465429444 989774255 /nfs/dbraw/zinc/77/42/55/989774255.db2.gz NSHROEFOTLANPM-LOSJGSFVSA-N 2 1 420.601 3.815 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000465429444 989774258 /nfs/dbraw/zinc/77/42/58/989774258.db2.gz NSHROEFOTLANPM-LOSJGSFVSA-N 2 1 420.601 3.815 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000465429444 989774265 /nfs/dbraw/zinc/77/42/65/989774265.db2.gz NSHROEFOTLANPM-LOSJGSFVSA-N 2 1 420.601 3.815 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000465430301 989775495 /nfs/dbraw/zinc/77/54/95/989775495.db2.gz GZZLNGWVANCJRP-URVUXULASA-N 2 1 414.619 3.603 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)NCC3([NH+]4CCCCC4)CCCCC3)CC2)[nH+]c1 ZINC000465453844 989793617 /nfs/dbraw/zinc/79/36/17/989793617.db2.gz SZYKAENOTYCVDI-UHFFFAOYSA-N 2 1 413.610 3.847 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000465477589 989825270 /nfs/dbraw/zinc/82/52/70/989825270.db2.gz PAZHEDOUHRYCDA-NHCUHLMSSA-N 2 1 407.002 3.849 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)c2)CC1 ZINC000471632587 989839815 /nfs/dbraw/zinc/83/98/15/989839815.db2.gz BXPNYOWZTLZFSU-QHCPKHFHSA-N 2 1 410.537 3.571 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)c2)CC1 ZINC000471632587 989839832 /nfs/dbraw/zinc/83/98/32/989839832.db2.gz BXPNYOWZTLZFSU-QHCPKHFHSA-N 2 1 410.537 3.571 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NC3C[C@H]4CCC[C@@H](C3)[NH+]4C)cc2)C1 ZINC000465516030 989868821 /nfs/dbraw/zinc/86/88/21/989868821.db2.gz AMRGCUXPRDCMJE-YWHXQDJNSA-N 2 1 412.622 3.979 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cc2)C1 ZINC000465516030 989868831 /nfs/dbraw/zinc/86/88/31/989868831.db2.gz AMRGCUXPRDCMJE-YWHXQDJNSA-N 2 1 412.622 3.979 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cc2)C1 ZINC000465516030 989868840 /nfs/dbraw/zinc/86/88/40/989868840.db2.gz AMRGCUXPRDCMJE-YWHXQDJNSA-N 2 1 412.622 3.979 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000465523127 989877110 /nfs/dbraw/zinc/87/71/10/989877110.db2.gz KRZVYHQSYZAQNV-BGYRXZFFSA-N 2 1 411.594 3.949 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000465523127 989877115 /nfs/dbraw/zinc/87/71/15/989877115.db2.gz KRZVYHQSYZAQNV-BGYRXZFFSA-N 2 1 411.594 3.949 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000465524060 989878560 /nfs/dbraw/zinc/87/85/60/989878560.db2.gz CYNPSSUXZVUDNX-GMAHTHKFSA-N 2 1 400.611 3.660 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CCCCC1 ZINC000465532380 989891823 /nfs/dbraw/zinc/89/18/23/989891823.db2.gz FGMLYTZTANGUAP-QKNQBKEWSA-N 2 1 406.640 3.941 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CCCCC1 ZINC000465532384 989891935 /nfs/dbraw/zinc/89/19/35/989891935.db2.gz FGMLYTZTANGUAP-SFHLNBCPSA-N 2 1 406.640 3.941 20 0 HHADMP C[C@H](CNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[NH+]1CCCC[C@H]1C ZINC000465554717 989917978 /nfs/dbraw/zinc/91/79/78/989917978.db2.gz YBYWVCUVQGCFBH-WOJBJXKFSA-N 2 1 412.578 3.974 20 0 HHADMP C[C@H](CNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[NH+]1CCCC[C@H]1C ZINC000465554717 989917985 /nfs/dbraw/zinc/91/79/85/989917985.db2.gz YBYWVCUVQGCFBH-WOJBJXKFSA-N 2 1 412.578 3.974 20 0 HHADMP C[C@H](CNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)[N@@H+]1CCCC[C@H]1C ZINC000465554717 989917992 /nfs/dbraw/zinc/91/79/92/989917992.db2.gz YBYWVCUVQGCFBH-WOJBJXKFSA-N 2 1 412.578 3.974 20 0 HHADMP C[C@H](CNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)[N@H+]1CCCC[C@H]1C ZINC000465554717 989918003 /nfs/dbraw/zinc/91/80/03/989918003.db2.gz YBYWVCUVQGCFBH-WOJBJXKFSA-N 2 1 412.578 3.974 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000465557312 989921048 /nfs/dbraw/zinc/92/10/48/989921048.db2.gz GAMJRHFIXIVUHP-LPHOPBHVSA-N 2 1 414.516 3.824 20 0 HHADMP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000465561878 989928890 /nfs/dbraw/zinc/92/88/90/989928890.db2.gz CEQAHQGPVHBZTA-PKTZIBPZSA-N 2 1 406.574 3.793 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)NC[C@H](C(C)C)[NH+]3CCCCCC3)CC2)[nH+]c1 ZINC000465586174 989959734 /nfs/dbraw/zinc/95/97/34/989959734.db2.gz YQYADHGIOPERGW-OAQYLSRUSA-N 2 1 401.599 3.559 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1oc2ccccc2c1C ZINC000465650843 990036915 /nfs/dbraw/zinc/03/69/15/990036915.db2.gz DATHXGFQGIJJML-OALUTQOASA-N 2 1 400.567 3.860 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1cccc2ccn(C)c21 ZINC000471893224 990065942 /nfs/dbraw/zinc/06/59/42/990065942.db2.gz PQFKEMXWQMYNPS-UHFFFAOYSA-N 2 1 411.594 3.838 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000465793754 990175433 /nfs/dbraw/zinc/17/54/33/990175433.db2.gz WINVHYMXZYJFCC-HSZRJFAPSA-N 2 1 400.611 3.936 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)[NH+](C)C)cc1 ZINC000465814221 990197428 /nfs/dbraw/zinc/19/74/28/990197428.db2.gz MCZJROCUIXGTTD-QPPBQGQZSA-N 2 1 408.590 3.904 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)NC[C@H]3CCC[N@@H+]3CC3CCCCC3)CC2)[nH+]c1 ZINC000465864299 990976928 /nfs/dbraw/zinc/97/69/28/990976928.db2.gz HOLGHBDDYJAXIU-JOCHJYFZSA-N 2 1 413.610 3.703 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)NC[C@H]3CCC[N@H+]3CC3CCCCC3)CC2)[nH+]c1 ZINC000465864299 990976940 /nfs/dbraw/zinc/97/69/40/990976940.db2.gz HOLGHBDDYJAXIU-JOCHJYFZSA-N 2 1 413.610 3.703 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC[N@@H+]1C ZINC000465878859 990996214 /nfs/dbraw/zinc/99/62/14/990996214.db2.gz YAPPDTDSLFPCOP-RHSMWYFYSA-N 2 1 413.393 3.740 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC[N@H+]1C ZINC000465878859 990996227 /nfs/dbraw/zinc/99/62/27/990996227.db2.gz YAPPDTDSLFPCOP-RHSMWYFYSA-N 2 1 413.393 3.740 20 0 HHADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000465891710 991017488 /nfs/dbraw/zinc/01/74/88/991017488.db2.gz QIZBRPGKUJIMRL-KWDCZQRMSA-N 2 1 410.606 3.746 20 0 HHADMP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000465891710 991017492 /nfs/dbraw/zinc/01/74/92/991017492.db2.gz QIZBRPGKUJIMRL-KWDCZQRMSA-N 2 1 410.606 3.746 20 0 HHADMP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000465891710 991017499 /nfs/dbraw/zinc/01/74/99/991017499.db2.gz QIZBRPGKUJIMRL-KWDCZQRMSA-N 2 1 410.606 3.746 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N3CCC[C@H](C[NH+]4CCCCCC4)C3)CC2)[nH+]c1 ZINC000465952993 991092632 /nfs/dbraw/zinc/09/26/32/991092632.db2.gz IVLWSUVGTNWSFD-OAQYLSRUSA-N 2 1 413.610 3.656 20 0 HHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N(CC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465962409 991106923 /nfs/dbraw/zinc/10/69/23/991106923.db2.gz YSKZGUOFZIYWTN-PKTZIBPZSA-N 2 1 400.611 3.805 20 0 HHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000465962409 991106927 /nfs/dbraw/zinc/10/69/27/991106927.db2.gz YSKZGUOFZIYWTN-PKTZIBPZSA-N 2 1 400.611 3.805 20 0 HHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000465962409 991106932 /nfs/dbraw/zinc/10/69/32/991106932.db2.gz YSKZGUOFZIYWTN-PKTZIBPZSA-N 2 1 400.611 3.805 20 0 HHADMP Cc1ccc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cc1NC(=O)CC[NH+](C)C ZINC000466279356 991525365 /nfs/dbraw/zinc/52/53/65/991525365.db2.gz WHOBVXSPAPIUEG-OAQYLSRUSA-N 2 1 416.953 3.780 20 0 HHADMP C[C@H](c1ccc(NC(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1)[NH+]1CCOCC1 ZINC000466564872 991878598 /nfs/dbraw/zinc/87/85/98/991878598.db2.gz SEZSRBMAGVEKKG-LJQANCHMSA-N 2 1 410.562 3.506 20 0 HHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccn(-c4ccc(Cl)cc4)n3)CC2)C[C@@H](C)O1 ZINC000466813632 992122203 /nfs/dbraw/zinc/12/22/03/992122203.db2.gz GQQJRLICLKJERR-QZTJIDSGSA-N 2 1 402.970 3.847 20 0 HHADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466929799 992242032 /nfs/dbraw/zinc/24/20/32/992242032.db2.gz DLKWNFFKSZVHCT-IBGZPJMESA-N 2 1 401.595 3.715 20 0 HHADMP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466932392 992244575 /nfs/dbraw/zinc/24/45/75/992244575.db2.gz ABANLQWKKPAZBO-MRXNPFEDSA-N 2 1 413.484 3.609 20 0 HHADMP C[C@H]1CCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000467094230 992400072 /nfs/dbraw/zinc/40/00/72/992400072.db2.gz ITIDTRSNSWLWKX-NRFANRHFSA-N 2 1 408.590 3.597 20 0 HHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000467098510 992404354 /nfs/dbraw/zinc/40/43/54/992404354.db2.gz BEJLCWIAOBCZFF-NZQKXSOJSA-N 2 1 400.611 3.587 20 0 HHADMP CC(C)(C)[C@H](NC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1cccs1 ZINC000467207571 992532429 /nfs/dbraw/zinc/53/24/29/992532429.db2.gz OPZRKMSVOIOSQV-OAQYLSRUSA-N 2 1 407.624 3.528 20 0 HHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccnn1-c1ccccc1 ZINC000467314330 992637066 /nfs/dbraw/zinc/63/70/66/992637066.db2.gz UOTPHXMUKFBTMY-PXDATVDWSA-N 2 1 403.574 3.902 20 0 HHADMP CN(C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000472365618 993363317 /nfs/dbraw/zinc/36/33/17/993363317.db2.gz PFVFNHUGBAIUMU-DEOSSOPVSA-N 2 1 420.601 3.815 20 0 HHADMP O[C@@H](COc1cccc2[nH]ccc21)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472584935 993547864 /nfs/dbraw/zinc/54/78/64/993547864.db2.gz YJNBJSRBPJEZQZ-GJZUVCINSA-N 2 1 419.569 3.896 20 0 HHADMP O[C@@H](COc1cccc2[nH]ccc21)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472584935 993547872 /nfs/dbraw/zinc/54/78/72/993547872.db2.gz YJNBJSRBPJEZQZ-GJZUVCINSA-N 2 1 419.569 3.896 20 0 HHADMP O[C@@H](COc1cccc2[nH]ccc21)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000472584935 993547879 /nfs/dbraw/zinc/54/78/79/993547879.db2.gz YJNBJSRBPJEZQZ-GJZUVCINSA-N 2 1 419.569 3.896 20 0 HHADMP O[C@@H](COc1cccc2[nH]ccc21)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000472584935 993547884 /nfs/dbraw/zinc/54/78/84/993547884.db2.gz YJNBJSRBPJEZQZ-GJZUVCINSA-N 2 1 419.569 3.896 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000472589687 993550435 /nfs/dbraw/zinc/55/04/35/993550435.db2.gz QFRBQYRGCVNNRE-UHFFFAOYSA-N 2 1 402.410 3.594 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)[C@@H](C)C1 ZINC000480721564 993589796 /nfs/dbraw/zinc/58/97/96/993589796.db2.gz NDZCNEWTAJVFTC-SPEDKVCISA-N 2 1 402.583 3.758 20 0 HHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000472670942 993596337 /nfs/dbraw/zinc/59/63/37/993596337.db2.gz ODXGAZRASNHYRV-KRWDZBQOSA-N 2 1 408.384 3.974 20 0 HHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000472684919 993606107 /nfs/dbraw/zinc/60/61/07/993606107.db2.gz RJYRSDWUQWGPCT-IBGZPJMESA-N 2 1 408.384 3.974 20 0 HHADMP Ic1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCCO2 ZINC000480759850 993625188 /nfs/dbraw/zinc/62/51/88/993625188.db2.gz PSSWREHEYICWLZ-GUYCJALGSA-N 2 1 412.315 3.579 20 0 HHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000480772167 993637105 /nfs/dbraw/zinc/63/71/05/993637105.db2.gz PZYUTTLQTQCOAX-IBGZPJMESA-N 2 1 410.400 3.670 20 0 HHADMP Cc1cccc(C[C@@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C2CC2)c1 ZINC000480880200 993744283 /nfs/dbraw/zinc/74/42/83/993744283.db2.gz OXSPNKLXNAIOPJ-RUZDIDTESA-N 2 1 421.585 3.767 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@H]2CCSc3ccccc32)c1 ZINC000480902110 993758930 /nfs/dbraw/zinc/75/89/30/993758930.db2.gz AZLWDWFGKVGNCN-NRFANRHFSA-N 2 1 411.571 3.674 20 0 HHADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000480906307 993762313 /nfs/dbraw/zinc/76/23/13/993762313.db2.gz YBNJLUXNPURBMN-HXUWFJFHSA-N 2 1 423.605 3.815 20 0 HHADMP C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000481013576 993855894 /nfs/dbraw/zinc/85/58/94/993855894.db2.gz LWGIKRZLCLPBKS-CYBMUJFWSA-N 2 1 408.518 3.689 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000481038213 993882209 /nfs/dbraw/zinc/88/22/09/993882209.db2.gz LXXLZAIUCJAWAL-FGSXEWAUSA-N 2 1 401.576 3.619 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000481038213 993882221 /nfs/dbraw/zinc/88/22/21/993882221.db2.gz LXXLZAIUCJAWAL-FGSXEWAUSA-N 2 1 401.576 3.619 20 0 HHADMP C[C@@H](CCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[N@@H+](C)Cc1ccccc1 ZINC000472994615 993924430 /nfs/dbraw/zinc/92/44/30/993924430.db2.gz QGGKCDSHLPXXGS-SFHVURJKSA-N 2 1 400.542 3.597 20 0 HHADMP COc1ccccc1[C@H](C)N(C)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481167831 993999491 /nfs/dbraw/zinc/99/94/91/993999491.db2.gz AKVPHDKSGHKZBB-JTAQYXEDSA-N 2 1 409.574 3.715 20 0 HHADMP COc1ccccc1[C@H](C)N(C)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481167831 993999503 /nfs/dbraw/zinc/99/95/03/993999503.db2.gz AKVPHDKSGHKZBB-JTAQYXEDSA-N 2 1 409.574 3.715 20 0 HHADMP CC(C)OCc1cccc(CNC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481177316 994007963 /nfs/dbraw/zinc/00/79/63/994007963.db2.gz UFNWZVILDNOXSF-OFVILXPXSA-N 2 1 423.601 3.728 20 0 HHADMP CC(C)OCc1cccc(CNC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481177316 994007971 /nfs/dbraw/zinc/00/79/71/994007971.db2.gz UFNWZVILDNOXSF-OFVILXPXSA-N 2 1 423.601 3.728 20 0 HHADMP CC(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481191586 994024466 /nfs/dbraw/zinc/02/44/66/994024466.db2.gz QTAQNAGZEMMDQI-AUSIDOKSSA-N 2 1 400.588 3.869 20 0 HHADMP CC(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481191586 994024475 /nfs/dbraw/zinc/02/44/75/994024475.db2.gz QTAQNAGZEMMDQI-AUSIDOKSSA-N 2 1 400.588 3.869 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000481192327 994025204 /nfs/dbraw/zinc/02/52/04/994025204.db2.gz SLUAEQSUSPAEEL-ZNLUXHQJSA-N 2 1 422.491 3.945 20 0 HHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000481307097 994123144 /nfs/dbraw/zinc/12/31/44/994123144.db2.gz JFBNHADPYKIGLX-IBGZPJMESA-N 2 1 415.603 3.561 20 0 HHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000481307098 994124043 /nfs/dbraw/zinc/12/40/43/994124043.db2.gz JFBNHADPYKIGLX-LJQANCHMSA-N 2 1 415.603 3.561 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)[C@@H](C)C1 ZINC000481308381 994125246 /nfs/dbraw/zinc/12/52/46/994125246.db2.gz LFMCLVYNIIQFMT-OFVILXPXSA-N 2 1 422.617 3.871 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)[C@@H](C)C1 ZINC000481308381 994125247 /nfs/dbraw/zinc/12/52/47/994125247.db2.gz LFMCLVYNIIQFMT-OFVILXPXSA-N 2 1 422.617 3.871 20 0 HHADMP CC[NH+](CC)CCSCC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473497286 994343498 /nfs/dbraw/zinc/34/34/98/994343498.db2.gz QFGXNPYFZQGCLE-HSZRJFAPSA-N 2 1 403.636 3.576 20 0 HHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C3CCC4(CC3)c3ccccc3NC4=O)c2)CCO1 ZINC000481554212 994387863 /nfs/dbraw/zinc/38/78/63/994387863.db2.gz ALODBGGWVFPGDH-SFCRKBEJSA-N 2 1 419.569 3.830 20 0 HHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CCC4(CC3)c3ccccc3NC4=O)c2)CCO1 ZINC000481554212 994387869 /nfs/dbraw/zinc/38/78/69/994387869.db2.gz ALODBGGWVFPGDH-SFCRKBEJSA-N 2 1 419.569 3.830 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cccc(N2CCOCC2)c1 ZINC000481558339 994391934 /nfs/dbraw/zinc/39/19/34/994391934.db2.gz QGHICKUOXFNZGY-LEWJYISDSA-N 2 1 409.574 3.595 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cccc(N2CCOCC2)c1 ZINC000481558339 994391940 /nfs/dbraw/zinc/39/19/40/994391940.db2.gz QGHICKUOXFNZGY-LEWJYISDSA-N 2 1 409.574 3.595 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cccc(N2CCOCC2)c1 ZINC000481558341 994392350 /nfs/dbraw/zinc/39/23/50/994392350.db2.gz QGHICKUOXFNZGY-RTWAWAEBSA-N 2 1 409.574 3.595 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cccc(N2CCOCC2)c1 ZINC000481558341 994392361 /nfs/dbraw/zinc/39/23/61/994392361.db2.gz QGHICKUOXFNZGY-RTWAWAEBSA-N 2 1 409.574 3.595 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000481560172 994394562 /nfs/dbraw/zinc/39/45/62/994394562.db2.gz HHSGLMVDFDGDLO-NZQKXSOJSA-N 2 1 422.569 3.964 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000481560171 994394719 /nfs/dbraw/zinc/39/47/19/994394719.db2.gz HHSGLMVDFDGDLO-NFBKMPQASA-N 2 1 422.569 3.964 20 0 HHADMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1 ZINC000481575181 994412912 /nfs/dbraw/zinc/41/29/12/994412912.db2.gz PQOBAGDHISXDLP-HNNXBMFYSA-N 2 1 416.522 3.932 20 0 HHADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 ZINC000481974552 994868081 /nfs/dbraw/zinc/86/80/81/994868081.db2.gz OYWNSXMRHJOWJH-GOSISDBHSA-N 2 1 419.591 3.673 20 0 HHADMP COc1ccc(-c2ccncc2)cc1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000481977780 994872135 /nfs/dbraw/zinc/87/21/35/994872135.db2.gz AGPBUQYLMQWZJF-UHFFFAOYSA-N 2 1 408.590 3.748 20 0 HHADMP COC(=O)c1ccccc1-c1ccc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)o1 ZINC000482048191 994971054 /nfs/dbraw/zinc/97/10/54/994971054.db2.gz PEIGJDPABYKAMV-UHFFFAOYSA-N 2 1 420.513 3.899 20 0 HHADMP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)CC[N@H+]2C2CC2)c1 ZINC000482050404 994975589 /nfs/dbraw/zinc/97/55/89/994975589.db2.gz PMWMXXQLPLMMLU-CTUHWIOQSA-N 2 1 411.590 3.744 20 0 HHADMP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC[NH+]2C2CC2)c1 ZINC000482050404 994975601 /nfs/dbraw/zinc/97/56/01/994975601.db2.gz PMWMXXQLPLMMLU-CTUHWIOQSA-N 2 1 411.590 3.744 20 0 HHADMP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)CC[NH+]2C2CC2)c1 ZINC000482050404 994975612 /nfs/dbraw/zinc/97/56/12/994975612.db2.gz PMWMXXQLPLMMLU-CTUHWIOQSA-N 2 1 411.590 3.744 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000474027684 995019658 /nfs/dbraw/zinc/01/96/58/995019658.db2.gz BUZZEURXYTXNMW-NPHXMPSESA-N 2 1 400.611 3.564 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)c1)C1CCOCC1 ZINC000474055355 995044112 /nfs/dbraw/zinc/04/41/12/995044112.db2.gz SSGYJBOAJLACIK-FTBPSBKWSA-N 2 1 416.606 3.861 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N[C@@H](C)c2ccc3ccccc3c2)[C@H](C)C1 ZINC000482142887 995092820 /nfs/dbraw/zinc/09/28/20/995092820.db2.gz NPPZURPXADIRSC-NMMYMHLASA-N 2 1 411.590 3.744 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N[C@@H](C)c2ccc3ccccc3c2)[C@H](C)C1 ZINC000482142887 995092824 /nfs/dbraw/zinc/09/28/24/995092824.db2.gz NPPZURPXADIRSC-NMMYMHLASA-N 2 1 411.590 3.744 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(F)cc1Br ZINC000482247925 995228329 /nfs/dbraw/zinc/22/83/29/995228329.db2.gz WKDIPEQIVULLRX-CQSZACIVSA-N 2 1 422.342 3.730 20 0 HHADMP CC(C)(C)[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000482267070 995245121 /nfs/dbraw/zinc/24/51/21/995245121.db2.gz HXFXKVIDOJILKK-JTHBVZDNSA-N 2 1 412.622 3.945 20 0 HHADMP O=C(NC1CC[NH+](CC2CC2)CC1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482284523 995263216 /nfs/dbraw/zinc/26/32/16/995263216.db2.gz BQFLEQLVEUOPGZ-VWNXMTODSA-N 2 1 410.606 3.557 20 0 HHADMP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000482293374 995272794 /nfs/dbraw/zinc/27/27/94/995272794.db2.gz RYMRGKNNCWDGQS-LOSJGSFVSA-N 2 1 420.601 3.944 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)C1 ZINC000482339974 995318834 /nfs/dbraw/zinc/31/88/34/995318834.db2.gz YSELBMWTMOUDCI-RBUKOAKNSA-N 2 1 419.591 3.529 20 0 HHADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000482356335 995336415 /nfs/dbraw/zinc/33/64/15/995336415.db2.gz KBONNCNMDXUPDI-IBGZPJMESA-N 2 1 410.400 3.526 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CC=CCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000474366950 995346926 /nfs/dbraw/zinc/34/69/26/995346926.db2.gz OQHNPUYYZRZBIE-QUCCMNQESA-N 2 1 424.511 3.649 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)NCC[N@H+]2CC=CCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000474366950 995346930 /nfs/dbraw/zinc/34/69/30/995346930.db2.gz OQHNPUYYZRZBIE-QUCCMNQESA-N 2 1 424.511 3.649 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)NCC[N@@H+]2CC=CCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000474366950 995346935 /nfs/dbraw/zinc/34/69/35/995346935.db2.gz OQHNPUYYZRZBIE-QUCCMNQESA-N 2 1 424.511 3.649 20 0 HHADMP O=C(NC1CC([NH+]2CCCCC2)C1)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000474368585 995349386 /nfs/dbraw/zinc/34/93/86/995349386.db2.gz JMBXSYYJPLNESY-XEVCZEQESA-N 2 1 424.511 3.596 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@@H](C)c1nc2ccccc2s1 ZINC000474482873 995441049 /nfs/dbraw/zinc/44/10/49/995441049.db2.gz PRDRMFHCMKPNCU-QZTJIDSGSA-N 2 1 422.598 3.966 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)C[C@H]1C ZINC000474505787 995465159 /nfs/dbraw/zinc/46/51/59/995465159.db2.gz LADZWZXIEHOSNC-VMBXEPDQSA-N 2 1 400.611 3.657 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000482470045 995474554 /nfs/dbraw/zinc/47/45/54/995474554.db2.gz XSPORCKHBAJSRU-VWLOTQADSA-N 2 1 405.586 3.925 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000474529334 995495252 /nfs/dbraw/zinc/49/52/52/995495252.db2.gz YNSRIZTWVDEAPA-SGKWCMOWSA-N 2 1 412.622 3.803 20 0 HHADMP Cc1c([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)nnn1-c1ccc(C)cc1 ZINC000482555867 995563677 /nfs/dbraw/zinc/56/36/77/995563677.db2.gz OWLRDUXQKSAHPA-LJQANCHMSA-N 2 1 419.573 3.692 20 0 HHADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482644423 995639618 /nfs/dbraw/zinc/63/96/18/995639618.db2.gz VBSJYGCCJWREHK-GGAORHGYSA-N 2 1 407.558 3.696 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)CC[NH+]2CCc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000474743981 995676632 /nfs/dbraw/zinc/67/66/32/995676632.db2.gz UIXLCSUFTLPNRX-BWKNWUBXSA-N 2 1 405.586 3.946 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)CC[N@@H+]2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000474743981 995676641 /nfs/dbraw/zinc/67/66/41/995676641.db2.gz UIXLCSUFTLPNRX-BWKNWUBXSA-N 2 1 405.586 3.946 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)CC[N@H+]2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000474743981 995676650 /nfs/dbraw/zinc/67/66/50/995676650.db2.gz UIXLCSUFTLPNRX-BWKNWUBXSA-N 2 1 405.586 3.946 20 0 HHADMP COCCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(Br)cc1 ZINC000482746594 995721538 /nfs/dbraw/zinc/72/15/38/995721538.db2.gz SFTCSPZBPNWAPQ-VQTJNVASSA-N 2 1 413.400 3.599 20 0 HHADMP COc1cccc(C[C@@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c2ccccc2)c1 ZINC000482886391 995817756 /nfs/dbraw/zinc/81/77/56/995817756.db2.gz GNGQLOGCSGERBC-XMMPIXPASA-N 2 1 409.574 3.511 20 0 HHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc(-n4cncn4)cc3)CC2)cs1 ZINC000482888660 995819973 /nfs/dbraw/zinc/81/99/73/995819973.db2.gz NHZXRVHWDGOBPP-QGZVFWFLSA-N 2 1 410.591 3.849 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)CC2)c1 ZINC000483001995 995912253 /nfs/dbraw/zinc/91/22/53/995912253.db2.gz SSZWWEJNSQCNDH-UHFFFAOYSA-N 2 1 407.562 3.773 20 0 HHADMP CN(C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475130710 995941710 /nfs/dbraw/zinc/94/17/10/995941710.db2.gz QPDSBHJPKBVCEM-ZEQRLZLVSA-N 2 1 406.574 3.739 20 0 HHADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000483087219 995965180 /nfs/dbraw/zinc/96/51/80/995965180.db2.gz IZPQEQODKMECKU-FQEVSTJZSA-N 2 1 412.578 3.975 20 0 HHADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000483087219 995965187 /nfs/dbraw/zinc/96/51/87/995965187.db2.gz IZPQEQODKMECKU-FQEVSTJZSA-N 2 1 412.578 3.975 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)NC(C)(C)CC[NH+]3CCCCCC3)CC2)[nH+]c1 ZINC000483098637 995972549 /nfs/dbraw/zinc/97/25/49/995972549.db2.gz OZWJIAWIJGUYIO-UHFFFAOYSA-N 2 1 401.599 3.703 20 0 HHADMP CCN(C(=O)NCCCC[NH+]1CCC(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475177218 995974357 /nfs/dbraw/zinc/97/43/57/995974357.db2.gz YMTDGDNHKNUKMY-HSZRJFAPSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483117297 995986083 /nfs/dbraw/zinc/98/60/83/995986083.db2.gz GQZWNPHHHWQLFL-SIKLNZKXSA-N 2 1 409.549 3.784 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475219636 996004940 /nfs/dbraw/zinc/00/49/40/996004940.db2.gz KRBLPWJGHIKSGO-DEOSSOPVSA-N 2 1 409.578 3.669 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475219636 996004945 /nfs/dbraw/zinc/00/49/45/996004945.db2.gz KRBLPWJGHIKSGO-DEOSSOPVSA-N 2 1 409.578 3.669 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)[C@@H](C)C1 ZINC000483200699 996034111 /nfs/dbraw/zinc/03/41/11/996034111.db2.gz OKFUGQOJNWMAQP-OTWHNJEPSA-N 2 1 411.537 3.593 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N(C)[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC000475313119 996063563 /nfs/dbraw/zinc/06/35/63/996063563.db2.gz OTXTWCJPPONQJR-OTPAQWSUSA-N 2 1 421.585 3.642 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N(C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC000475313119 996063569 /nfs/dbraw/zinc/06/35/69/996063569.db2.gz OTXTWCJPPONQJR-OTPAQWSUSA-N 2 1 421.585 3.642 20 0 HHADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000475567353 996222684 /nfs/dbraw/zinc/22/26/84/996222684.db2.gz WPXZBUKIBIHHDL-UHFFFAOYSA-N 2 1 410.400 3.592 20 0 HHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000475567353 996222687 /nfs/dbraw/zinc/22/26/87/996222687.db2.gz WPXZBUKIBIHHDL-UHFFFAOYSA-N 2 1 410.400 3.592 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000475718099 996321063 /nfs/dbraw/zinc/32/10/63/996321063.db2.gz XCTBWRBYQPIXTL-BBWFWOEESA-N 2 1 422.411 3.791 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000475718099 996321068 /nfs/dbraw/zinc/32/10/68/996321068.db2.gz XCTBWRBYQPIXTL-BBWFWOEESA-N 2 1 422.411 3.791 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000483706351 996339920 /nfs/dbraw/zinc/33/99/20/996339920.db2.gz FEABBWONJQLFEO-ACIOBRDBSA-N 2 1 400.611 3.974 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)C[C@H]1C ZINC000483706352 996340055 /nfs/dbraw/zinc/34/00/55/996340055.db2.gz FEABBWONJQLFEO-AKIFATBCSA-N 2 1 400.611 3.974 20 0 HHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000483729259 996353603 /nfs/dbraw/zinc/35/36/03/996353603.db2.gz OYJDREOYJORTCK-CQSZACIVSA-N 2 1 417.355 3.974 20 0 HHADMP Cc1nc2cc(NC(=O)N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)ccc2o1 ZINC000483794583 996392867 /nfs/dbraw/zinc/39/28/67/996392867.db2.gz FCZZOWGIUCRNOY-UHFFFAOYSA-N 2 1 413.566 3.796 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)C[C@H]1C ZINC000483802364 996397539 /nfs/dbraw/zinc/39/75/39/996397539.db2.gz CSTQXVUMVPQRDE-AHRSYUTCSA-N 2 1 424.992 3.958 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000483834085 996416476 /nfs/dbraw/zinc/41/64/76/996416476.db2.gz ZFRUQYVBQKOZGU-HXUWFJFHSA-N 2 1 410.672 3.692 20 0 HHADMP CCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000483878677 996444116 /nfs/dbraw/zinc/44/41/16/996444116.db2.gz WZVWCUVORPCBAL-NHCUHLMSSA-N 2 1 408.537 3.662 20 0 HHADMP CCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000483878677 996444120 /nfs/dbraw/zinc/44/41/20/996444120.db2.gz WZVWCUVORPCBAL-NHCUHLMSSA-N 2 1 408.537 3.662 20 0 HHADMP COc1cccc([C@@H]2[C@H](NC(=O)NCc3ccc(C[NH+](C)C)cc3)CC[N@H+]2C2CC2)c1 ZINC000483937585 996478556 /nfs/dbraw/zinc/47/85/56/996478556.db2.gz HJCSACJKJJIDRG-DNQXCXABSA-N 2 1 422.573 3.534 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000475935516 996483792 /nfs/dbraw/zinc/48/37/92/996483792.db2.gz VIXIWOSKYFYBIT-GBXCKJPGSA-N 2 1 423.605 3.867 20 0 HHADMP C[C@@H](NC(=O)NCCC[N@@H+](C)Cc1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000483974567 996501039 /nfs/dbraw/zinc/50/10/39/996501039.db2.gz MFPNBIDRGNQKME-ZJSXRUAMSA-N 2 1 408.590 3.718 20 0 HHADMP C[C@@H](NC(=O)NCCC[NH+](C)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000483974567 996501044 /nfs/dbraw/zinc/50/10/44/996501044.db2.gz MFPNBIDRGNQKME-ZJSXRUAMSA-N 2 1 408.590 3.718 20 0 HHADMP C[C@@H](NC(=O)NCCC[NH+](C)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000483974567 996501049 /nfs/dbraw/zinc/50/10/49/996501049.db2.gz MFPNBIDRGNQKME-ZJSXRUAMSA-N 2 1 408.590 3.718 20 0 HHADMP CCC(CC)(CNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C)[NH2+][C@H](C)c1ccccc1 ZINC000476038516 996559193 /nfs/dbraw/zinc/55/91/93/996559193.db2.gz ATABEIXORZRXON-QGZVFWFLSA-N 2 1 422.577 3.862 20 0 HHADMP CCC(CC)(CNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C)[NH2+][C@@H](C)c1ccccc1 ZINC000476038515 996559288 /nfs/dbraw/zinc/55/92/88/996559288.db2.gz ATABEIXORZRXON-KRWDZBQOSA-N 2 1 422.577 3.862 20 0 HHADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000484134062 996589432 /nfs/dbraw/zinc/58/94/32/996589432.db2.gz TYUFHGMHKOCWCS-UTKZUKDTSA-N 2 1 408.464 3.915 20 0 HHADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000484134062 996589435 /nfs/dbraw/zinc/58/94/35/996589435.db2.gz TYUFHGMHKOCWCS-UTKZUKDTSA-N 2 1 408.464 3.915 20 0 HHADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1S(C)(=O)=O ZINC000484476030 996796029 /nfs/dbraw/zinc/79/60/29/996796029.db2.gz UPXWRYQOEMAMNH-BBTUJRGHSA-N 2 1 416.587 3.660 20 0 HHADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1S(C)(=O)=O ZINC000484476030 996796035 /nfs/dbraw/zinc/79/60/35/996796035.db2.gz UPXWRYQOEMAMNH-BBTUJRGHSA-N 2 1 416.587 3.660 20 0 HHADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1S(C)(=O)=O ZINC000484476032 996796313 /nfs/dbraw/zinc/79/63/13/996796313.db2.gz UPXWRYQOEMAMNH-LVCYWYKZSA-N 2 1 416.587 3.660 20 0 HHADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1S(C)(=O)=O ZINC000484476032 996796320 /nfs/dbraw/zinc/79/63/20/996796320.db2.gz UPXWRYQOEMAMNH-LVCYWYKZSA-N 2 1 416.587 3.660 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000484483044 996804883 /nfs/dbraw/zinc/80/48/83/996804883.db2.gz LGMQLXONEWKNEL-LVXARBLLSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000484483044 996804894 /nfs/dbraw/zinc/80/48/94/996804894.db2.gz LGMQLXONEWKNEL-LVXARBLLSA-N 2 1 407.602 3.644 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000484509379 996838561 /nfs/dbraw/zinc/83/85/61/996838561.db2.gz ZKEUHDTXXMZYCL-ZODMCCGTSA-N 2 1 405.586 3.720 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000484509379 996838571 /nfs/dbraw/zinc/83/85/71/996838571.db2.gz ZKEUHDTXXMZYCL-ZODMCCGTSA-N 2 1 405.586 3.720 20 0 HHADMP CC[C@H](C)n1ncc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000484932335 997308916 /nfs/dbraw/zinc/30/89/16/997308916.db2.gz AXFSIMQOOTUWFV-SFHVURJKSA-N 2 1 418.630 3.823 20 0 HHADMP CC[NH+](CC)CCOc1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)ccc1OC ZINC000485000060 997363337 /nfs/dbraw/zinc/36/33/37/997363337.db2.gz FDPMQIPBMAEYBR-UYAOXDASSA-N 2 1 420.598 3.752 20 0 HHADMP C[C@H]1[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000476906095 997512105 /nfs/dbraw/zinc/51/21/05/997512105.db2.gz MFGDLEMMMPRDEE-GBXCKJPGSA-N 2 1 406.574 3.745 20 0 HHADMP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccccc3C(=O)c3ccccc3)CC[C@@H]21 ZINC000485308560 997716492 /nfs/dbraw/zinc/71/64/92/997716492.db2.gz HCEDQVYCPURJGV-REWPJTCUSA-N 2 1 405.542 3.662 20 0 HHADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccccc3C(=O)c3ccccc3)CC[C@@H]21 ZINC000485308560 997716501 /nfs/dbraw/zinc/71/65/01/997716501.db2.gz HCEDQVYCPURJGV-REWPJTCUSA-N 2 1 405.542 3.662 20 0 HHADMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3ccccc3C(=O)c3ccccc3)CC[C@@H]21 ZINC000485308560 997716505 /nfs/dbraw/zinc/71/65/05/997716505.db2.gz HCEDQVYCPURJGV-REWPJTCUSA-N 2 1 405.542 3.662 20 0 HHADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3C(=O)c3ccccc3)CC[C@@H]21 ZINC000485308560 997716513 /nfs/dbraw/zinc/71/65/13/997716513.db2.gz HCEDQVYCPURJGV-REWPJTCUSA-N 2 1 405.542 3.662 20 0 HHADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H](c3cccc(Cl)c3)[NH+]3CCCC3)CC[C@@H]21 ZINC000485309383 997718586 /nfs/dbraw/zinc/71/85/86/997718586.db2.gz QLUILISEMYLTTC-GIVPXCGWSA-N 2 1 404.986 3.603 20 0 HHADMP C[C@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485385773 997814008 /nfs/dbraw/zinc/81/40/08/997814008.db2.gz OJIAKAHBLNPHHV-HFSMHLIXSA-N 2 1 400.592 3.561 20 0 HHADMP CN(C(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000477160605 997822442 /nfs/dbraw/zinc/82/24/42/997822442.db2.gz LBQKVRZWGMMLOL-NHCUHLMSSA-N 2 1 404.986 3.573 20 0 HHADMP CN(C(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000477160605 997822455 /nfs/dbraw/zinc/82/24/55/997822455.db2.gz LBQKVRZWGMMLOL-NHCUHLMSSA-N 2 1 404.986 3.573 20 0 HHADMP CN(C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000477160605 997822469 /nfs/dbraw/zinc/82/24/69/997822469.db2.gz LBQKVRZWGMMLOL-NHCUHLMSSA-N 2 1 404.986 3.573 20 0 HHADMP CN(C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000477160605 997822480 /nfs/dbraw/zinc/82/24/80/997822480.db2.gz LBQKVRZWGMMLOL-NHCUHLMSSA-N 2 1 404.986 3.573 20 0 HHADMP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c2cccs2)CC1 ZINC000485465663 997910460 /nfs/dbraw/zinc/91/04/60/997910460.db2.gz OGNVOYMDTLXLJE-VAMGGRTRSA-N 2 1 404.624 3.647 20 0 HHADMP O=C(C1CC[NH+](C2CC2)CC1)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000485893392 998347256 /nfs/dbraw/zinc/34/72/56/998347256.db2.gz BBXSUQFOPFERIJ-IBGZPJMESA-N 2 1 423.523 3.774 20 0 HHADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)c1 ZINC000477920332 998658115 /nfs/dbraw/zinc/65/81/15/998658115.db2.gz UYOUERHNCOLXJM-LJQANCHMSA-N 2 1 415.603 3.677 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486315814 998709074 /nfs/dbraw/zinc/70/90/74/998709074.db2.gz CONNKDIUKVKFNT-GVXSCFBNSA-N 2 1 420.601 3.861 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486315814 998709078 /nfs/dbraw/zinc/70/90/78/998709078.db2.gz CONNKDIUKVKFNT-GVXSCFBNSA-N 2 1 420.601 3.861 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486315814 998709082 /nfs/dbraw/zinc/70/90/82/998709082.db2.gz CONNKDIUKVKFNT-GVXSCFBNSA-N 2 1 420.601 3.861 20 0 HHADMP COc1cccc([C@@H]2[C@@H](NC(=O)NC3CC[NH+](C(C)(C)C)CC3)CC[N@H+]2C2CC2)c1 ZINC000486338754 998718914 /nfs/dbraw/zinc/71/89/14/998718914.db2.gz ANHRPVDGPRPBCN-FCHUYYIVSA-N 2 1 414.594 3.535 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000486477928 998787380 /nfs/dbraw/zinc/78/73/80/998787380.db2.gz PQVXDSTYBYZFBV-PMVMPFDFSA-N 2 1 424.589 3.935 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccc(C[NH+]2CCSCC2)cc1)C1CC1 ZINC000478331823 998893464 /nfs/dbraw/zinc/89/34/64/998893464.db2.gz RTIJAQQNHKTOPH-DEOSSOPVSA-N 2 1 423.626 3.876 20 0 HHADMP CC(C)(CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C[NH+]1CCCC1 ZINC000478417270 998946886 /nfs/dbraw/zinc/94/68/86/998946886.db2.gz QIWBYOCBKHDOCN-UHFFFAOYSA-N 2 1 412.622 3.806 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000487016181 999037386 /nfs/dbraw/zinc/03/73/86/999037386.db2.gz ZOJQKSCSJVUSJY-XMMPIXPASA-N 2 1 405.586 3.967 20 0 HHADMP COc1cccc([C@@H]2[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC[N@H+]2C2CC2)c1 ZINC000487079366 999056914 /nfs/dbraw/zinc/05/69/14/999056914.db2.gz UDDNAMXTANEMGE-YPAWHYETSA-N 2 1 416.610 3.639 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000487145384 999080004 /nfs/dbraw/zinc/08/00/04/999080004.db2.gz KKIXZTPZPHGVQX-HSQYWUDLSA-N 2 1 420.548 3.805 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000487145384 999080010 /nfs/dbraw/zinc/08/00/10/999080010.db2.gz KKIXZTPZPHGVQX-HSQYWUDLSA-N 2 1 420.548 3.805 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000487145384 999080014 /nfs/dbraw/zinc/08/00/14/999080014.db2.gz KKIXZTPZPHGVQX-HSQYWUDLSA-N 2 1 420.548 3.805 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000487145384 999080016 /nfs/dbraw/zinc/08/00/16/999080016.db2.gz KKIXZTPZPHGVQX-HSQYWUDLSA-N 2 1 420.548 3.805 20 0 HHADMP FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000487319682 999134306 /nfs/dbraw/zinc/13/43/06/999134306.db2.gz MPXGFDRXUSRQFK-HNNXBMFYSA-N 2 1 408.468 3.686 20 0 HHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000487508732 999202653 /nfs/dbraw/zinc/20/26/53/999202653.db2.gz LWGZTJINANOMSK-FGZHOGPDSA-N 2 1 423.601 3.808 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000479063690 999276103 /nfs/dbraw/zinc/27/61/03/999276103.db2.gz PVNBFMFQHBYCHH-OALUTQOASA-N 2 1 403.592 3.512 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000479063690 999276107 /nfs/dbraw/zinc/27/61/07/999276107.db2.gz PVNBFMFQHBYCHH-OALUTQOASA-N 2 1 403.592 3.512 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000479065166 999276960 /nfs/dbraw/zinc/27/69/60/999276960.db2.gz IGGZQCZUTSFYEB-RBUKOAKNSA-N 2 1 415.603 3.827 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)cc1 ZINC000479069527 999279603 /nfs/dbraw/zinc/27/96/03/999279603.db2.gz YVZOGKMKNFUTGC-SJORKVTESA-N 2 1 412.559 3.857 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NC[C@@H](C)C[NH+]2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000487917911 999315269 /nfs/dbraw/zinc/31/52/69/999315269.db2.gz NAEUTBWRTSJNMI-MAODMQOUSA-N 2 1 408.537 3.520 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](C)C[NH+]2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000487917911 999315272 /nfs/dbraw/zinc/31/52/72/999315272.db2.gz NAEUTBWRTSJNMI-MAODMQOUSA-N 2 1 408.537 3.520 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NCCC2CC[NH+](C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000487946417 999324836 /nfs/dbraw/zinc/32/48/36/999324836.db2.gz BOZIPIONDIZTSS-RTWAWAEBSA-N 2 1 408.537 3.520 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NCCC2CC[NH+](C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000487946417 999324843 /nfs/dbraw/zinc/32/48/43/999324843.db2.gz BOZIPIONDIZTSS-RTWAWAEBSA-N 2 1 408.537 3.520 20 0 HHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488077180 999369085 /nfs/dbraw/zinc/36/90/85/999369085.db2.gz RYABQTAEUFILMW-ZFGGDYGUSA-N 2 1 408.590 3.717 20 0 HHADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488077180 999369086 /nfs/dbraw/zinc/36/90/86/999369086.db2.gz RYABQTAEUFILMW-ZFGGDYGUSA-N 2 1 408.590 3.717 20 0 HHADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488077180 999369088 /nfs/dbraw/zinc/36/90/88/999369088.db2.gz RYABQTAEUFILMW-ZFGGDYGUSA-N 2 1 408.590 3.717 20 0 HHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479333309 999390005 /nfs/dbraw/zinc/39/00/05/999390005.db2.gz WOKLYUARYXNCKX-KGLIPLIRSA-N 2 1 422.422 3.804 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000479344644 999395411 /nfs/dbraw/zinc/39/54/11/999395411.db2.gz FZDJBKBQPIDQNC-REWPJTCUSA-N 2 1 400.611 3.933 20 0 HHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479438986 999417936 /nfs/dbraw/zinc/41/79/36/999417936.db2.gz PIHZHTWHBWSRBI-ZCYQVOJMSA-N 2 1 416.569 3.996 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCn1cc(Br)cn1 ZINC000479463626 999428618 /nfs/dbraw/zinc/42/86/18/999428618.db2.gz JPLBEFKDVFFOMN-FXAWDEMLSA-N 2 1 405.384 3.926 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCn1cc(Br)cn1 ZINC000479463626 999428619 /nfs/dbraw/zinc/42/86/19/999428619.db2.gz JPLBEFKDVFFOMN-FXAWDEMLSA-N 2 1 405.384 3.926 20 0 HHADMP COc1ccc([C@H](CNC(=O)C[N@H+](C)Cc2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000479559013 999477299 /nfs/dbraw/zinc/47/72/99/999477299.db2.gz SOKBTTOZKORAEO-DEOSSOPVSA-N 2 1 409.574 3.779 20 0 HHADMP COc1ccc([C@H](CNC(=O)C[N@@H+](C)Cc2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000479559013 999477302 /nfs/dbraw/zinc/47/73/02/999477302.db2.gz SOKBTTOZKORAEO-DEOSSOPVSA-N 2 1 409.574 3.779 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccco1 ZINC000488459709 999493004 /nfs/dbraw/zinc/49/30/04/999493004.db2.gz LSQMJNCSWBNXGG-RDGATRHJSA-N 2 1 424.589 3.970 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000488566553 999530079 /nfs/dbraw/zinc/53/00/79/999530079.db2.gz ZJOXDPFKVYMJKG-YADHBBJMSA-N 2 1 422.564 3.910 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000488566553 999530083 /nfs/dbraw/zinc/53/00/83/999530083.db2.gz ZJOXDPFKVYMJKG-YADHBBJMSA-N 2 1 422.564 3.910 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000488605770 999543795 /nfs/dbraw/zinc/54/37/95/999543795.db2.gz BUVKPKQTQLNMSB-YHYVQYDKSA-N 2 1 422.564 3.908 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000488605770 999543799 /nfs/dbraw/zinc/54/37/99/999543799.db2.gz BUVKPKQTQLNMSB-YHYVQYDKSA-N 2 1 422.564 3.908 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000488605770 999543807 /nfs/dbraw/zinc/54/38/07/999543807.db2.gz BUVKPKQTQLNMSB-YHYVQYDKSA-N 2 1 422.564 3.908 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000488605770 999543811 /nfs/dbraw/zinc/54/38/11/999543811.db2.gz BUVKPKQTQLNMSB-YHYVQYDKSA-N 2 1 422.564 3.908 20 0 HHADMP COC[C@@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)cc1 ZINC000488699072 999578257 /nfs/dbraw/zinc/57/82/57/999578257.db2.gz ZXYLHQXZNTYZER-JOCHJYFZSA-N 2 1 415.965 3.529 20 0 HHADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000479888716 999637505 /nfs/dbraw/zinc/63/75/05/999637505.db2.gz PJKIWKPDJNJRTF-IBGZPJMESA-N 2 1 410.562 3.900 20 0 HHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000479908941 999645012 /nfs/dbraw/zinc/64/50/12/999645012.db2.gz FXKGNCUPPVWHRX-OALUTQOASA-N 2 1 419.591 3.673 20 0 HHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000479908941 999645016 /nfs/dbraw/zinc/64/50/16/999645016.db2.gz FXKGNCUPPVWHRX-OALUTQOASA-N 2 1 419.591 3.673 20 0 HHADMP COc1cc2c(NCc3cccc(C[N@H+]4CCC[C@@H](C(N)=O)C4)c3)cc[nH+]c2cc1F ZINC000479959035 999663399 /nfs/dbraw/zinc/66/33/99/999663399.db2.gz DOSILEPPYMUAAI-GOSISDBHSA-N 2 1 422.504 3.692 20 0 HHADMP CC[NH+]1CCC([NH2+][C@H]2CCCOc3ccc(I)cc32)CC1 ZINC000480034925 999695316 /nfs/dbraw/zinc/69/53/16/999695316.db2.gz BFSIUCUKQWTLFS-INIZCTEOSA-N 2 1 400.304 3.579 20 0 HHADMP COc1ccc(C[N@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1C ZINC000489127510 999707057 /nfs/dbraw/zinc/70/70/57/999707057.db2.gz KWRRISUXWPKGLG-UHFFFAOYSA-N 2 1 409.574 3.525 20 0 HHADMP COc1ccc(C[N@@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1C ZINC000489127510 999707059 /nfs/dbraw/zinc/70/70/59/999707059.db2.gz KWRRISUXWPKGLG-UHFFFAOYSA-N 2 1 409.574 3.525 20 0 HHADMP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)cc1 ZINC000480339629 999774931 /nfs/dbraw/zinc/77/49/31/999774931.db2.gz XCCVDVJHJIZTGU-GOSISDBHSA-N 2 1 423.376 3.519 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000489536384 999786957 /nfs/dbraw/zinc/78/69/57/999786957.db2.gz XPPBMFFKPWIVSM-CEMLEFRQSA-N 2 1 410.562 3.626 20 0 HHADMP C[C@@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)c1ccc(OCC[NH+](C)C)cc1 ZINC000480454471 999802746 /nfs/dbraw/zinc/80/27/46/999802746.db2.gz PNEDJVKVQSXCRL-CQSZACIVSA-N 2 1 407.440 3.539 20 0 HHADMP Cc1ccc(CN(C(=O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)C2CC2)o1 ZINC000489683077 999816884 /nfs/dbraw/zinc/81/68/84/999816884.db2.gz ZYOQIHLQBBFSKP-UHFFFAOYSA-N 2 1 409.574 3.923 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000489726919 999825670 /nfs/dbraw/zinc/82/56/70/999825670.db2.gz ICEHJHXHAYJUGE-ACRUOGEOSA-N 2 1 412.622 3.659 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000489821717 999844081 /nfs/dbraw/zinc/84/40/81/999844081.db2.gz BIUIRWXDNWYISF-PXDATVDWSA-N 2 1 420.601 3.992 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC000489832926 999846013 /nfs/dbraw/zinc/84/60/13/999846013.db2.gz NGDRRHCBYHMGDM-VJBMBRPKSA-N 2 1 424.589 3.508 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC000489832926 999846015 /nfs/dbraw/zinc/84/60/15/999846015.db2.gz NGDRRHCBYHMGDM-VJBMBRPKSA-N 2 1 424.589 3.508 20 0 HHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000480687021 999859483 /nfs/dbraw/zinc/85/94/83/999859483.db2.gz DACXWWXQUFROMJ-OAQYLSRUSA-N 2 1 403.574 3.861 20 0 HHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000480708794 999864761 /nfs/dbraw/zinc/86/47/61/999864761.db2.gz WLDFRTMIAYKAMD-LLZJGCNPSA-N 2 1 407.602 3.603 20 0 HHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4ccncc4OC[C@H]4CCOC4)[C@@H]3C2)cc1 ZINC000490368706 999945856 /nfs/dbraw/zinc/94/58/56/999945856.db2.gz MYDQLQQHKBPVEP-CGBRIMPHSA-N 2 1 421.585 3.887 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4ccncc4OC[C@H]4CCOC4)[C@@H]3C2)cc1 ZINC000490368706 999945858 /nfs/dbraw/zinc/94/58/58/999945858.db2.gz MYDQLQQHKBPVEP-CGBRIMPHSA-N 2 1 421.585 3.887 20 0 HHADMP COc1ccccc1-c1ncc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cn1 ZINC000490892462 1000020367 /nfs/dbraw/zinc/02/03/67/1000020367.db2.gz HATUPPPSXUYUTJ-UHFFFAOYSA-N 2 1 421.545 3.759 20 0 HHADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000490952126 1000026610 /nfs/dbraw/zinc/02/66/10/1000026610.db2.gz QHGVYVZBISOJKS-OALUTQOASA-N 2 1 404.624 3.520 20 0 HHADMP C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000490964587 1000028625 /nfs/dbraw/zinc/02/86/25/1000028625.db2.gz UUQLICSCAIRNEW-IBGZPJMESA-N 2 1 404.624 3.869 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000490964587 1000028627 /nfs/dbraw/zinc/02/86/27/1000028627.db2.gz UUQLICSCAIRNEW-IBGZPJMESA-N 2 1 404.624 3.869 20 0 HHADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490993366 1000031524 /nfs/dbraw/zinc/03/15/24/1000031524.db2.gz GJFDWGJYCFBTSE-PXDATVDWSA-N 2 1 420.601 3.640 20 0 HHADMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490993367 1000031558 /nfs/dbraw/zinc/03/15/58/1000031558.db2.gz GJFDWGJYCFBTSE-SQJMNOBHSA-N 2 1 420.601 3.640 20 0 HHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000491022232 1000034809 /nfs/dbraw/zinc/03/48/09/1000034809.db2.gz PBIFHNHXVCOPRB-QFIPXVFZSA-N 2 1 403.517 3.995 20 0 HHADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)C1 ZINC000491057502 1000040215 /nfs/dbraw/zinc/04/02/15/1000040215.db2.gz FNVVUQUPOURKNZ-CTNGQTDRSA-N 2 1 417.500 3.554 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)C1 ZINC000491057502 1000040217 /nfs/dbraw/zinc/04/02/17/1000040217.db2.gz FNVVUQUPOURKNZ-CTNGQTDRSA-N 2 1 417.500 3.554 20 0 HHADMP CCN(C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000491336716 1000066453 /nfs/dbraw/zinc/06/64/53/1000066453.db2.gz WSDNWTAUVJVFJW-DENIHFKCSA-N 2 1 424.593 3.839 20 0 HHADMP C[C@@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492462464 1000127950 /nfs/dbraw/zinc/12/79/50/1000127950.db2.gz GJIZCKMRYNHWHU-ATIYNZHBSA-N 2 1 419.613 3.968 20 0 HHADMP C[C@@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492462464 1000127956 /nfs/dbraw/zinc/12/79/56/1000127956.db2.gz GJIZCKMRYNHWHU-ATIYNZHBSA-N 2 1 419.613 3.968 20 0 HHADMP C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000492578703 1000133364 /nfs/dbraw/zinc/13/33/64/1000133364.db2.gz IEUVMCREKNTGDZ-ODGPQVTHSA-N 2 1 408.590 3.542 20 0 HHADMP C[C@@H]1C[N@@H+](CCSc2ccnc3cc(Cl)ccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000492782496 1000143682 /nfs/dbraw/zinc/14/36/82/1000143682.db2.gz HIMSNXDTODOBJS-UTKZUKDTSA-N 2 1 419.038 3.938 20 0 HHADMP C[C@H]1C[N@@H+](CCSc2ccnc3cc(Cl)ccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000492782495 1000143715 /nfs/dbraw/zinc/14/37/15/1000143715.db2.gz HIMSNXDTODOBJS-LAUBAEHRSA-N 2 1 419.038 3.938 20 0 HHADMP C[C@@H]1[C@H](NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000494025763 1000273396 /nfs/dbraw/zinc/27/33/96/1000273396.db2.gz DWYPZVZQGZWDIQ-FBROZUCGSA-N 2 1 421.585 3.689 20 0 HHADMP C[C@@H]1[C@H](NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000494025763 1000273403 /nfs/dbraw/zinc/27/34/03/1000273403.db2.gz DWYPZVZQGZWDIQ-FBROZUCGSA-N 2 1 421.585 3.689 20 0 HHADMP C[C@@H]1[C@H](NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC[NH+]1Cc1ccccc1 ZINC000494025763 1000273410 /nfs/dbraw/zinc/27/34/10/1000273410.db2.gz DWYPZVZQGZWDIQ-FBROZUCGSA-N 2 1 421.585 3.689 20 0 HHADMP C[C@@H]1[C@H](NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC[NH+]1Cc1ccccc1 ZINC000494025763 1000273418 /nfs/dbraw/zinc/27/34/18/1000273418.db2.gz DWYPZVZQGZWDIQ-FBROZUCGSA-N 2 1 421.585 3.689 20 0 HHADMP CC(C)N1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000494162992 1000335774 /nfs/dbraw/zinc/33/57/74/1000335774.db2.gz HYONRNASEGKZPF-JTHBVZDNSA-N 2 1 401.501 3.737 20 0 HHADMP CC(C)N1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000494162992 1000335777 /nfs/dbraw/zinc/33/57/77/1000335777.db2.gz HYONRNASEGKZPF-JTHBVZDNSA-N 2 1 401.501 3.737 20 0 HHADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000494444720 1000495901 /nfs/dbraw/zinc/49/59/01/1000495901.db2.gz GHMJLNXXWJMFPB-UHFFFAOYSA-N 2 1 413.472 3.975 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000494444720 1000495905 /nfs/dbraw/zinc/49/59/05/1000495905.db2.gz GHMJLNXXWJMFPB-UHFFFAOYSA-N 2 1 413.472 3.975 20 0 HHADMP Cc1[nH+]ccn1C[C@H]1CCCN1CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000494911258 1000725694 /nfs/dbraw/zinc/72/56/94/1000725694.db2.gz QNFCVEJUODGUFW-CYBMUJFWSA-N 2 1 400.832 3.967 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000494942658 1000744050 /nfs/dbraw/zinc/74/40/50/1000744050.db2.gz YHQOSSCKCZIFQT-QRVBRYPASA-N 2 1 408.468 3.779 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000494942658 1000744057 /nfs/dbraw/zinc/74/40/57/1000744057.db2.gz YHQOSSCKCZIFQT-QRVBRYPASA-N 2 1 408.468 3.779 20 0 HHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C1 ZINC000495026713 1000787017 /nfs/dbraw/zinc/78/70/17/1000787017.db2.gz GBIAZWUITLQMAD-HXUWFJFHSA-N 2 1 415.622 3.521 20 0 HHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C1 ZINC000495026708 1000787340 /nfs/dbraw/zinc/78/73/40/1000787340.db2.gz GBIAZWUITLQMAD-FQEVSTJZSA-N 2 1 415.622 3.521 20 0 HHADMP C[C@H](CCNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000495384038 1000993334 /nfs/dbraw/zinc/99/33/34/1000993334.db2.gz OOTYUUDQEMUFIJ-OAQYLSRUSA-N 2 1 423.601 3.531 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N[C@@H](C)[C@H](c3ccccc3C)[NH+](C)C)CC2)[nH+]1 ZINC000497567780 1001439227 /nfs/dbraw/zinc/43/92/27/1001439227.db2.gz MCUQCHKXNXPRPQ-WMZHIEFXSA-N 2 1 409.578 3.658 20 0 HHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000497582978 1001446118 /nfs/dbraw/zinc/44/61/18/1001446118.db2.gz SOCGBTKQDNTTOP-OAQYLSRUSA-N 2 1 400.567 3.704 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000497690673 1001486140 /nfs/dbraw/zinc/48/61/40/1001486140.db2.gz JZONRNXROZXOCR-BAGYTPMASA-N 2 1 412.578 3.872 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000506922911 1001595283 /nfs/dbraw/zinc/59/52/83/1001595283.db2.gz QTKZHQCAZLSBHJ-GMKZXUHWSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000506922911 1001595287 /nfs/dbraw/zinc/59/52/87/1001595287.db2.gz QTKZHQCAZLSBHJ-GMKZXUHWSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000506922911 1001595292 /nfs/dbraw/zinc/59/52/92/1001595292.db2.gz QTKZHQCAZLSBHJ-GMKZXUHWSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000506922914 1001595551 /nfs/dbraw/zinc/59/55/51/1001595551.db2.gz QTKZHQCAZLSBHJ-YFNKSVMNSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000506922914 1001595555 /nfs/dbraw/zinc/59/55/55/1001595555.db2.gz QTKZHQCAZLSBHJ-YFNKSVMNSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000506922914 1001595558 /nfs/dbraw/zinc/59/55/58/1001595558.db2.gz QTKZHQCAZLSBHJ-YFNKSVMNSA-N 2 1 412.622 3.947 20 0 HHADMP C[NH+](C)C[C@H](NC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(F)cc1 ZINC000498022098 1001609046 /nfs/dbraw/zinc/60/90/46/1001609046.db2.gz CVAUQBPTLKHQJK-SLYNCCJLSA-N 2 1 418.582 3.872 20 0 HHADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)NC[C@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000498023469 1001610053 /nfs/dbraw/zinc/61/00/53/1001610053.db2.gz BNILXQHGGMALNG-DENIHFKCSA-N 2 1 412.603 3.657 20 0 HHADMP C[NH+](Cc1ccccc1)C1CN(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000498023469 1001610056 /nfs/dbraw/zinc/61/00/56/1001610056.db2.gz BNILXQHGGMALNG-DENIHFKCSA-N 2 1 412.603 3.657 20 0 HHADMP C[NH+](Cc1ccccc1)C1CN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000498023469 1001610058 /nfs/dbraw/zinc/61/00/58/1001610058.db2.gz BNILXQHGGMALNG-DENIHFKCSA-N 2 1 412.603 3.657 20 0 HHADMP COc1cccc([C@H](CNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)[NH+](C)C)c1 ZINC000506953761 1001726384 /nfs/dbraw/zinc/72/63/84/1001726384.db2.gz QEJJKUYJBQYHSO-JTAQYXEDSA-N 2 1 416.610 3.594 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)[C@H]1c1ccc(F)c(F)c1 ZINC000498670226 1002063220 /nfs/dbraw/zinc/06/32/20/1002063220.db2.gz IKCVJOZLQAGILH-XYEHWOGUSA-N 2 1 420.548 3.614 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)[C@H]1c1ccc(F)c(F)c1 ZINC000498670226 1002063229 /nfs/dbraw/zinc/06/32/29/1002063229.db2.gz IKCVJOZLQAGILH-XYEHWOGUSA-N 2 1 420.548 3.614 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)[C@H]1c1ccc(F)c(F)c1 ZINC000498670226 1002063237 /nfs/dbraw/zinc/06/32/37/1002063237.db2.gz IKCVJOZLQAGILH-XYEHWOGUSA-N 2 1 420.548 3.614 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)[C@H]1c1ccc(F)c(F)c1 ZINC000498670226 1002063247 /nfs/dbraw/zinc/06/32/47/1002063247.db2.gz IKCVJOZLQAGILH-XYEHWOGUSA-N 2 1 420.548 3.614 20 0 HHADMP O=C([C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)N1CCCC1 ZINC000507466805 1002088459 /nfs/dbraw/zinc/08/84/59/1002088459.db2.gz DKNAAJLRCLLILU-POTDNYQPSA-N 2 1 417.597 3.720 20 0 HHADMP O=C([C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)N1CCCC1 ZINC000507466805 1002088471 /nfs/dbraw/zinc/08/84/71/1002088471.db2.gz DKNAAJLRCLLILU-POTDNYQPSA-N 2 1 417.597 3.720 20 0 HHADMP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498714416 1002097113 /nfs/dbraw/zinc/09/71/13/1002097113.db2.gz LGMVSNSZTXYGLX-CTNGQTDRSA-N 2 1 414.619 3.732 20 0 HHADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000498893779 1002283527 /nfs/dbraw/zinc/28/35/27/1002283527.db2.gz JYEFFJSOMZDNSU-UCFCWBNQSA-N 2 1 424.589 3.650 20 0 HHADMP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000498896814 1002287279 /nfs/dbraw/zinc/28/72/79/1002287279.db2.gz ORBQPLAGRIHWMV-JTHBVZDNSA-N 2 1 400.611 3.947 20 0 HHADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccc(Oc4ccccc4)nn3)CC2)C[C@H](C)O1 ZINC000499053727 1002435759 /nfs/dbraw/zinc/43/57/59/1002435759.db2.gz OKCOSMHHECHYPF-PMACEKPBSA-N 2 1 410.562 3.980 20 0 HHADMP Cc1nc(C[NH+]2CCC(C[NH2+]C3CCC(C(=O)OC(C)(C)C)CC3)CC2)oc1C ZINC000507955513 1002488708 /nfs/dbraw/zinc/48/87/08/1002488708.db2.gz YYDZFVDSRVAYIF-UHFFFAOYSA-N 2 1 405.583 3.994 20 0 HHADMP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000499102909 1002494329 /nfs/dbraw/zinc/49/43/29/1002494329.db2.gz RWWPEEVHFFMJDR-FYYLOGMGSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H]1CN(c2ccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cn2)C[C@H](C)O1 ZINC000499138312 1002523222 /nfs/dbraw/zinc/52/32/22/1002523222.db2.gz DNEKXTNSPGJANG-IFMRQQRSSA-N 2 1 420.601 3.980 20 0 HHADMP C[C@@H]1CN(c2ccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cn2)C[C@H](C)O1 ZINC000499138312 1002523231 /nfs/dbraw/zinc/52/32/31/1002523231.db2.gz DNEKXTNSPGJANG-IFMRQQRSSA-N 2 1 420.601 3.980 20 0 HHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2cccc(CN4CCOCC4)c2)C3)cc1 ZINC000499149880 1002533606 /nfs/dbraw/zinc/53/36/06/1002533606.db2.gz VFSVZNIQSLTINP-OOSCYNTBSA-N 2 1 405.586 3.804 20 0 HHADMP COCc1ccccc1/C=C(/C)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000508239465 1002764823 /nfs/dbraw/zinc/76/48/23/1002764823.db2.gz JNAMTFVZDYRGQQ-NMWGTECJSA-N 2 1 407.602 3.986 20 0 HHADMP COCc1ccccc1/C=C(/C)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000508239465 1002764832 /nfs/dbraw/zinc/76/48/32/1002764832.db2.gz JNAMTFVZDYRGQQ-NMWGTECJSA-N 2 1 407.602 3.986 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NCC2(C)CC[NH+](C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000508383741 1002877112 /nfs/dbraw/zinc/87/71/12/1002877112.db2.gz RWJGKQQPWZNXST-PMACEKPBSA-N 2 1 408.537 3.520 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NCC2(C)CC[NH+](C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000508383741 1002877118 /nfs/dbraw/zinc/87/71/18/1002877118.db2.gz RWJGKQQPWZNXST-PMACEKPBSA-N 2 1 408.537 3.520 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000508482805 1002967785 /nfs/dbraw/zinc/96/77/85/1002967785.db2.gz BQGYIMRICZOBJJ-UHFFFAOYSA-N 2 1 409.574 3.681 20 0 HHADMP CCC[N@H+](CC)Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000508482805 1002967775 /nfs/dbraw/zinc/96/77/75/1002967775.db2.gz BQGYIMRICZOBJJ-UHFFFAOYSA-N 2 1 409.574 3.681 20 0 HHADMP C[C@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508693804 1003131694 /nfs/dbraw/zinc/13/16/94/1003131694.db2.gz BQCJMVUHQCBEKW-SQJMNOBHSA-N 2 1 401.554 3.897 20 0 HHADMP Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000508701424 1003139073 /nfs/dbraw/zinc/13/90/73/1003139073.db2.gz WZOGFESRQXVBMJ-RCXJIHSJSA-N 2 1 407.602 3.869 20 0 HHADMP Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000508701424 1003139079 /nfs/dbraw/zinc/13/90/79/1003139079.db2.gz WZOGFESRQXVBMJ-RCXJIHSJSA-N 2 1 407.602 3.869 20 0 HHADMP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000508721440 1003161498 /nfs/dbraw/zinc/16/14/98/1003161498.db2.gz URHFTYZCBNTAAS-NNWRFLSQSA-N 2 1 409.574 3.783 20 0 HHADMP CC(C)C[C@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1nccs1 ZINC000508720897 1003161563 /nfs/dbraw/zinc/16/15/63/1003161563.db2.gz NUQUIDGJZUUPPR-HOJAQTOUSA-N 2 1 400.592 3.997 20 0 HHADMP CC(C)C[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1nccs1 ZINC000508720897 1003161573 /nfs/dbraw/zinc/16/15/73/1003161573.db2.gz NUQUIDGJZUUPPR-HOJAQTOUSA-N 2 1 400.592 3.997 20 0 HHADMP Cc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)N2CCOCC2)cc1 ZINC000508722066 1003162631 /nfs/dbraw/zinc/16/26/31/1003162631.db2.gz WQANDVKOUVANGP-RCXJIHSJSA-N 2 1 407.602 3.869 20 0 HHADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000508786923 1003216221 /nfs/dbraw/zinc/21/62/21/1003216221.db2.gz YCIVTXCLFAVFBQ-OAQYLSRUSA-N 2 1 411.512 3.772 20 0 HHADMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(F)(c3ccccc3C(F)(F)F)CC2)CC1 ZINC000499937508 1003260462 /nfs/dbraw/zinc/26/04/62/1003260462.db2.gz CPFSPELYXWZOAG-UHFFFAOYSA-N 2 1 415.475 3.567 20 0 HHADMP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[NH+](C)C ZINC000508868862 1003289459 /nfs/dbraw/zinc/28/94/59/1003289459.db2.gz WHLUKCHCCLLDGP-MHHVOYGZSA-N 2 1 423.605 3.716 20 0 HHADMP C[C@H](NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000508897643 1003328381 /nfs/dbraw/zinc/32/83/81/1003328381.db2.gz OHIDZQXMIVMMGF-BBVWWWHTSA-N 2 1 420.601 3.985 20 0 HHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000509021526 1003494019 /nfs/dbraw/zinc/49/40/19/1003494019.db2.gz IEFJVGHUIUZQMA-OAQYLSRUSA-N 2 1 407.002 3.993 20 0 HHADMP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CCOCC1)c1ccccc1 ZINC000500482206 1003741153 /nfs/dbraw/zinc/74/11/53/1003741153.db2.gz BIDUKZQWJLGLOR-ZJSXRUAMSA-N 2 1 421.585 3.667 20 0 HHADMP C[NH+](C)C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000500551390 1003778475 /nfs/dbraw/zinc/77/84/75/1003778475.db2.gz FYEAARRUYBAIQW-QHAWAJNXSA-N 2 1 418.944 3.826 20 0 HHADMP C[NH+](C)C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000500551390 1003778482 /nfs/dbraw/zinc/77/84/82/1003778482.db2.gz FYEAARRUYBAIQW-QHAWAJNXSA-N 2 1 418.944 3.826 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000509373337 1003800373 /nfs/dbraw/zinc/80/03/73/1003800373.db2.gz PJCZUYZGKJUVFN-KRWDZBQOSA-N 2 1 402.608 3.583 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)cc2)C1 ZINC000500646678 1003859946 /nfs/dbraw/zinc/85/99/46/1003859946.db2.gz QKBPRZATHCQMEH-IMSXRSKXSA-N 2 1 412.622 3.934 20 0 HHADMP CC[N@@H+](CCNC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)C1CC1 ZINC000509525835 1003923857 /nfs/dbraw/zinc/92/38/57/1003923857.db2.gz LKIABEXEFSEKSF-UHFFFAOYSA-N 2 1 417.557 3.882 20 0 HHADMP C[NH+](C)CCCC1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000500753051 1003938266 /nfs/dbraw/zinc/93/82/66/1003938266.db2.gz HORDYNAXEJEGCI-FQEVSTJZSA-N 2 1 406.640 3.724 20 0 HHADMP C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000500760136 1003940795 /nfs/dbraw/zinc/94/07/95/1003940795.db2.gz WSHQLPPZHRDQCE-UHFFFAOYSA-N 2 1 416.569 3.918 20 0 HHADMP CC[C@@H](C)[NH2+][C@H](CNC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1)c1ccco1 ZINC000509595179 1003968979 /nfs/dbraw/zinc/96/89/79/1003968979.db2.gz GPGRCTUGRCXMSX-IEBWSBKVSA-N 2 1 400.523 3.665 20 0 HHADMP C[NH+](C)Cc1cnc(CNc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)s1 ZINC000512109075 1004029586 /nfs/dbraw/zinc/02/95/86/1004029586.db2.gz VGVIJQCKSGTLKO-UHFFFAOYSA-N 2 1 401.580 3.631 20 0 HHADMP C[C@H](C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000512139258 1004051025 /nfs/dbraw/zinc/05/10/25/1004051025.db2.gz KRXPJJFQQBQBSJ-QHAWAJNXSA-N 2 1 421.589 3.604 20 0 HHADMP COCC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000512146409 1004056346 /nfs/dbraw/zinc/05/63/46/1004056346.db2.gz PSZUBNQUJBZPQL-CYBMUJFWSA-N 2 1 421.891 3.776 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000512155932 1004063479 /nfs/dbraw/zinc/06/34/79/1004063479.db2.gz LGEULARJFZARGR-FGZHOGPDSA-N 2 1 400.611 3.707 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000512155932 1004063491 /nfs/dbraw/zinc/06/34/91/1004063491.db2.gz LGEULARJFZARGR-FGZHOGPDSA-N 2 1 400.611 3.707 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000512155932 1004063503 /nfs/dbraw/zinc/06/35/03/1004063503.db2.gz LGEULARJFZARGR-FGZHOGPDSA-N 2 1 400.611 3.707 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)C[C@H](C)O1 ZINC000512183135 1004084904 /nfs/dbraw/zinc/08/49/04/1004084904.db2.gz UNWLVINLKYCQIM-HDICACEKSA-N 2 1 402.970 3.847 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000509778332 1004089657 /nfs/dbraw/zinc/08/96/57/1004089657.db2.gz QNCSEFUAKOMLME-UYAOXDASSA-N 2 1 400.611 3.896 20 0 HHADMP CCOc1c(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)nn1CC(C)C ZINC000512196655 1004097519 /nfs/dbraw/zinc/09/75/19/1004097519.db2.gz QDHBDSHVTWWUSW-KDURUIRLSA-N 2 1 406.615 3.567 20 0 HHADMP CCOc1c(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)nn1CC(C)C ZINC000512196655 1004097529 /nfs/dbraw/zinc/09/75/29/1004097529.db2.gz QDHBDSHVTWWUSW-KDURUIRLSA-N 2 1 406.615 3.567 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2csc(Br)c2)C2CC2)CC1 ZINC000501020776 1004122944 /nfs/dbraw/zinc/12/29/44/1004122944.db2.gz FXPCRMQDMDNDTC-UHFFFAOYSA-N 2 1 400.430 3.891 20 0 HHADMP c1ccc(C[N@@H+]2CC[C@@]3(CCN(CCC[NH+]4CCN(c5ccccc5)CC4)C3)C2)cc1 ZINC000512242581 1004145010 /nfs/dbraw/zinc/14/50/10/1004145010.db2.gz JEZYNXLHKAIVQA-HHHXNRCGSA-N 2 1 418.629 3.797 20 0 HHADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](CCCN4CCN(c5ccccc5)CC4)C3)C2)cc1 ZINC000512242581 1004145019 /nfs/dbraw/zinc/14/50/19/1004145019.db2.gz JEZYNXLHKAIVQA-HHHXNRCGSA-N 2 1 418.629 3.797 20 0 HHADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](CCCN4CCN(c5ccccc5)CC4)C3)C2)cc1 ZINC000512242581 1004145024 /nfs/dbraw/zinc/14/50/24/1004145024.db2.gz JEZYNXLHKAIVQA-HHHXNRCGSA-N 2 1 418.629 3.797 20 0 HHADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](CCCN4CCN(c5ccccc5)CC4)C3)C2)cc1 ZINC000512242581 1004145027 /nfs/dbraw/zinc/14/50/27/1004145027.db2.gz JEZYNXLHKAIVQA-HHHXNRCGSA-N 2 1 418.629 3.797 20 0 HHADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](CCCN4CCN(c5ccccc5)CC4)C3)C2)cc1 ZINC000512242581 1004145033 /nfs/dbraw/zinc/14/50/33/1004145033.db2.gz JEZYNXLHKAIVQA-HHHXNRCGSA-N 2 1 418.629 3.797 20 0 HHADMP COc1ccc([C@H](NC(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)C2CC2)cc1 ZINC000501046742 1004148385 /nfs/dbraw/zinc/14/83/85/1004148385.db2.gz MSWKJMYMGNWYEB-RUZDIDTESA-N 2 1 422.573 3.506 20 0 HHADMP C[N@H+](CC(=O)Nc1nc(-c2ccccc2)cs1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501051086 1004153299 /nfs/dbraw/zinc/15/32/99/1004153299.db2.gz GHSZNUYKSZNBQT-UHFFFAOYSA-N 2 1 421.570 3.992 20 0 HHADMP CCC[N@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512279290 1004180294 /nfs/dbraw/zinc/18/02/94/1004180294.db2.gz MEHWVOXXKVSDMT-FQEVSTJZSA-N 2 1 423.605 3.994 20 0 HHADMP CCC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512279290 1004180300 /nfs/dbraw/zinc/18/03/00/1004180300.db2.gz MEHWVOXXKVSDMT-FQEVSTJZSA-N 2 1 423.605 3.994 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000501086025 1004191160 /nfs/dbraw/zinc/19/11/60/1004191160.db2.gz UWKKSWLUTBNBAF-NZQKXSOJSA-N 2 1 421.589 3.602 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)NCC[C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512392998 1004266150 /nfs/dbraw/zinc/26/61/50/1004266150.db2.gz NADIQTUIHRCFGW-GGAORHGYSA-N 2 1 421.589 3.522 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)NCC[C@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512392998 1004266156 /nfs/dbraw/zinc/26/61/56/1004266156.db2.gz NADIQTUIHRCFGW-GGAORHGYSA-N 2 1 421.589 3.522 20 0 HHADMP C[C@@H](CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)OCc1ccccc1 ZINC000512410373 1004278171 /nfs/dbraw/zinc/27/81/71/1004278171.db2.gz RPOZTMSMFQARDW-JYFHCDHNSA-N 2 1 407.602 3.874 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N(CC[NH+](C)C)Cc2ccco2)C[N@H+]1Cc1ccccc1 ZINC000512413264 1004280829 /nfs/dbraw/zinc/28/08/29/1004280829.db2.gz USADKKCDAVUDDX-IRLDBZIGSA-N 2 1 412.578 3.654 20 0 HHADMP C[C@H]1C[C@@H](CCNC(=O)N2CCC[N@H+](C3CCCC3)CC2)C[NH+]1Cc1ccccc1 ZINC000512413727 1004281425 /nfs/dbraw/zinc/28/14/25/1004281425.db2.gz ZKCSXKIUOBIPCT-JTHBVZDNSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@H]1C[C@@H](CCNC(=O)N2CCC[NH+](C3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512413727 1004281427 /nfs/dbraw/zinc/28/14/27/1004281427.db2.gz ZKCSXKIUOBIPCT-JTHBVZDNSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@H]1C[C@@H](CCNC(=O)N2CCC[NH+](C3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000512413727 1004281432 /nfs/dbraw/zinc/28/14/32/1004281432.db2.gz ZKCSXKIUOBIPCT-JTHBVZDNSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@@H](C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000512429608 1004295914 /nfs/dbraw/zinc/29/59/14/1004295914.db2.gz HWHIOCSMCIRKAP-OTWHNJEPSA-N 2 1 400.567 3.701 20 0 HHADMP CC[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[NH+]1CCc2ccccc2C1 ZINC000501364368 1004368907 /nfs/dbraw/zinc/36/89/07/1004368907.db2.gz SLJHSELJKJCMLA-VWLOTQADSA-N 2 1 420.601 3.741 20 0 HHADMP CC[C@@H](CNC(=O)N1CCC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000501364368 1004368917 /nfs/dbraw/zinc/36/89/17/1004368917.db2.gz SLJHSELJKJCMLA-VWLOTQADSA-N 2 1 420.601 3.741 20 0 HHADMP CC[C@@H](CNC(=O)N1CCC[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000501364368 1004368926 /nfs/dbraw/zinc/36/89/26/1004368926.db2.gz SLJHSELJKJCMLA-VWLOTQADSA-N 2 1 420.601 3.741 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1 ZINC000510209939 1004397325 /nfs/dbraw/zinc/39/73/25/1004397325.db2.gz HXMIHGRMCJYUOM-UHFFFAOYSA-N 2 1 408.590 3.598 20 0 HHADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000501409422 1004400022 /nfs/dbraw/zinc/40/00/22/1004400022.db2.gz DJXVMSMSMWZWMC-QHCPKHFHSA-N 2 1 415.528 3.629 20 0 HHADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000501409422 1004400027 /nfs/dbraw/zinc/40/00/27/1004400027.db2.gz DJXVMSMSMWZWMC-QHCPKHFHSA-N 2 1 415.528 3.629 20 0 HHADMP CCC[N@H+](CC(=O)N1CCCc2ccccc21)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510249034 1004424319 /nfs/dbraw/zinc/42/43/19/1004424319.db2.gz MJURIINWQKBSAX-UHFFFAOYSA-N 2 1 421.589 3.754 20 0 HHADMP CCC[N@@H+](CC(=O)N1CCCc2ccccc21)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510249034 1004424326 /nfs/dbraw/zinc/42/43/26/1004424326.db2.gz MJURIINWQKBSAX-UHFFFAOYSA-N 2 1 421.589 3.754 20 0 HHADMP O=C1C[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CN1Cc1ccccc1 ZINC000512616825 1004429488 /nfs/dbraw/zinc/42/94/88/1004429488.db2.gz CTTFNOWIHKLAHM-XDZVQPMWSA-N 2 1 417.597 3.925 20 0 HHADMP O=C1C[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CN1Cc1ccccc1 ZINC000512616822 1004429517 /nfs/dbraw/zinc/42/95/17/1004429517.db2.gz CTTFNOWIHKLAHM-KEVKATSASA-N 2 1 417.597 3.925 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]Cc4ccccc4CN4CCOCC4)[C@H]3C2)cc1 ZINC000512622779 1004436275 /nfs/dbraw/zinc/43/62/75/1004436275.db2.gz CCGPEGZDGYFEKD-GMQQYTKMSA-N 2 1 419.613 3.909 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCC[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000510270836 1004439601 /nfs/dbraw/zinc/43/96/01/1004439601.db2.gz HGYNIQGZVIAQTR-YMPZKCBVSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000510270836 1004439607 /nfs/dbraw/zinc/43/96/07/1004439607.db2.gz HGYNIQGZVIAQTR-YMPZKCBVSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000510270836 1004439611 /nfs/dbraw/zinc/43/96/11/1004439611.db2.gz HGYNIQGZVIAQTR-YMPZKCBVSA-N 2 1 400.611 3.564 20 0 HHADMP CCNC(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512632351 1004444490 /nfs/dbraw/zinc/44/44/90/1004444490.db2.gz ZKYVQZCEJDHNRV-ZKMPZPQNSA-N 2 1 421.585 3.592 20 0 HHADMP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)cn2)CCO1 ZINC000512646643 1004458024 /nfs/dbraw/zinc/45/80/24/1004458024.db2.gz BWEOXQFKYCMBKE-AKAGGGOCSA-N 2 1 420.601 3.697 20 0 HHADMP C[C@H](NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512710944 1004509963 /nfs/dbraw/zinc/50/99/63/1004509963.db2.gz CLEZMDAWXODRKZ-RBBKRZOGSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000512711348 1004510259 /nfs/dbraw/zinc/51/02/59/1004510259.db2.gz GXBRGSXOVZCSDC-PZJWPPBQSA-N 2 1 416.585 3.696 20 0 HHADMP C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000512711348 1004510271 /nfs/dbraw/zinc/51/02/71/1004510271.db2.gz GXBRGSXOVZCSDC-PZJWPPBQSA-N 2 1 416.585 3.696 20 0 HHADMP C[C@H](NC(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512711348 1004510279 /nfs/dbraw/zinc/51/02/79/1004510279.db2.gz GXBRGSXOVZCSDC-PZJWPPBQSA-N 2 1 416.585 3.696 20 0 HHADMP C[C@H](NC(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512711348 1004510287 /nfs/dbraw/zinc/51/02/87/1004510287.db2.gz GXBRGSXOVZCSDC-PZJWPPBQSA-N 2 1 416.585 3.696 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000510462737 1004583654 /nfs/dbraw/zinc/58/36/54/1004583654.db2.gz XPEKMFLIOUATAH-FCHUYYIVSA-N 2 1 410.562 3.689 20 0 HHADMP FC(F)OC[C@@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@@H](COC(F)F)C3)c2)C1 ZINC000512831309 1004589544 /nfs/dbraw/zinc/58/95/44/1004589544.db2.gz BXSXFZAZCTUVHN-QZTJIDSGSA-N 2 1 404.448 3.809 20 0 HHADMP O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000512839062 1004599554 /nfs/dbraw/zinc/59/95/54/1004599554.db2.gz QSJMWBQRMBBUJR-WOJBJXKFSA-N 2 1 424.511 3.550 20 0 HHADMP C[C@@H](NC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000510488130 1004606897 /nfs/dbraw/zinc/60/68/97/1004606897.db2.gz GLHRRUZZLIPRSG-TZIWHRDSSA-N 2 1 412.622 3.776 20 0 HHADMP C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510488130 1004606903 /nfs/dbraw/zinc/60/69/03/1004606903.db2.gz GLHRRUZZLIPRSG-TZIWHRDSSA-N 2 1 412.622 3.776 20 0 HHADMP C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510488130 1004606908 /nfs/dbraw/zinc/60/69/08/1004606908.db2.gz GLHRRUZZLIPRSG-TZIWHRDSSA-N 2 1 412.622 3.776 20 0 HHADMP C[C@@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510495389 1004614415 /nfs/dbraw/zinc/61/44/15/1004614415.db2.gz YZPKNUWXWMHEKE-IFMALSPDSA-N 2 1 412.622 3.646 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000510505360 1004628038 /nfs/dbraw/zinc/62/80/38/1004628038.db2.gz XFBGITCANFEBNH-RBBKRZOGSA-N 2 1 412.622 3.912 20 0 HHADMP CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)[NH+](C)C)cc1 ZINC000512902217 1004671012 /nfs/dbraw/zinc/67/10/12/1004671012.db2.gz MXZGZKNUZURFDL-HSZRJFAPSA-N 2 1 416.610 3.736 20 0 HHADMP C[NH+](C)CCCC1CC[NH+](Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000501788601 1004730836 /nfs/dbraw/zinc/73/08/36/1004730836.db2.gz IFESINJUJHDVOM-UHFFFAOYSA-N 2 1 421.383 3.977 20 0 HHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[NH+](C)C ZINC000501868344 1004787104 /nfs/dbraw/zinc/78/71/04/1004787104.db2.gz DZMFYQMBFHKKLS-MXBUBSDBSA-N 2 1 400.611 3.938 20 0 HHADMP C[N@@H+](CCOc1cccc(CNC2CC[NH+](C(C)(C)C)CC2)c1)C1CCOCC1 ZINC000513068954 1004789665 /nfs/dbraw/zinc/78/96/65/1004789665.db2.gz MGFGEKBDRJWDTP-UHFFFAOYSA-N 2 1 403.611 3.529 20 0 HHADMP C[N@H+](CCOc1cccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1)C1CCOCC1 ZINC000513068954 1004789667 /nfs/dbraw/zinc/78/96/67/1004789667.db2.gz MGFGEKBDRJWDTP-UHFFFAOYSA-N 3 1 403.611 3.529 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1)C1CCOCC1 ZINC000513068954 1004789674 /nfs/dbraw/zinc/78/96/74/1004789674.db2.gz MGFGEKBDRJWDTP-UHFFFAOYSA-N 3 1 403.611 3.529 20 0 HHADMP O[C@@]1(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000513232638 1004873157 /nfs/dbraw/zinc/87/31/57/1004873157.db2.gz ISICUUSCXRWTSL-XMMPIXPASA-N 2 1 413.993 3.531 20 0 HHADMP O[C@@]1(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000513232638 1004873162 /nfs/dbraw/zinc/87/31/62/1004873162.db2.gz ISICUUSCXRWTSL-XMMPIXPASA-N 2 1 413.993 3.531 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000513336076 1004917034 /nfs/dbraw/zinc/91/70/34/1004917034.db2.gz NFDUHXHOKWRWEE-GUDVDZBRSA-N 2 1 410.562 3.684 20 0 HHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000510950805 1004950066 /nfs/dbraw/zinc/95/00/66/1004950066.db2.gz NCUVUSMVGJWQSM-FPOVZHCZSA-N 2 1 401.348 3.793 20 0 HHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000510950804 1004950247 /nfs/dbraw/zinc/95/02/47/1004950247.db2.gz NCUVUSMVGJWQSM-CTNGQTDRSA-N 2 1 401.348 3.793 20 0 HHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000511037302 1004991832 /nfs/dbraw/zinc/99/18/32/1004991832.db2.gz XWKJOFGBZVZSKZ-MRXNPFEDSA-N 2 1 411.287 3.690 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000511036926 1004992002 /nfs/dbraw/zinc/99/20/02/1004992002.db2.gz GNKKNKONMFDJED-ZODMCCGTSA-N 2 1 405.586 3.720 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000511036926 1004992005 /nfs/dbraw/zinc/99/20/05/1004992005.db2.gz GNKKNKONMFDJED-ZODMCCGTSA-N 2 1 405.586 3.720 20 0 HHADMP O=C(Cc1ccccc1)N1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000511039163 1004992782 /nfs/dbraw/zinc/99/27/82/1004992782.db2.gz ZNQQHKUXPCCJKN-RUZDIDTESA-N 2 1 405.586 3.517 20 0 HHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000511055386 1004999910 /nfs/dbraw/zinc/99/99/10/1004999910.db2.gz YRGPYLKVQNYBPQ-OAQYLSRUSA-N 2 1 401.507 3.503 20 0 HHADMP C[NH+](C)C[C@@H](NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1ccc(Cl)cc1 ZINC000513572465 1005030090 /nfs/dbraw/zinc/03/00/90/1005030090.db2.gz MDDNXWZRGUAABO-BRWVUGGUSA-N 2 1 419.919 3.968 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2cnn(Cc3ccccc3)c2)C[C@H](C)O1 ZINC000513587824 1005038167 /nfs/dbraw/zinc/03/81/67/1005038167.db2.gz BIMPKXSUVMOCNN-OYRHEFFESA-N 2 1 404.558 3.830 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)cc2)C[C@@H](C)O1 ZINC000511144310 1005043659 /nfs/dbraw/zinc/04/36/59/1005043659.db2.gz RPMQTHKQGPWDMS-DNRQZRRGSA-N 2 1 421.585 3.577 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc4cc(OC)ccc4c3)CC2)CC1 ZINC000513684418 1005081353 /nfs/dbraw/zinc/08/13/53/1005081353.db2.gz RBOWBAPJOZWXIF-UHFFFAOYSA-N 2 1 409.574 3.615 20 0 HHADMP C[C@H](NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511246667 1005089473 /nfs/dbraw/zinc/08/94/73/1005089473.db2.gz HHMZEYIESWTZBK-FNAHDJPLSA-N 2 1 404.643 3.935 20 0 HHADMP C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511246667 1005089477 /nfs/dbraw/zinc/08/94/77/1005089477.db2.gz HHMZEYIESWTZBK-FNAHDJPLSA-N 2 1 404.643 3.935 20 0 HHADMP C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511246667 1005089483 /nfs/dbraw/zinc/08/94/83/1005089483.db2.gz HHMZEYIESWTZBK-FNAHDJPLSA-N 2 1 404.643 3.935 20 0 HHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000511250503 1005091396 /nfs/dbraw/zinc/09/13/96/1005091396.db2.gz NKQJUYCEBXQKRL-RBBKRZOGSA-N 2 1 400.611 3.721 20 0 HHADMP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511252660 1005092550 /nfs/dbraw/zinc/09/25/50/1005092550.db2.gz YKKNWQLILJADMG-RBUKOAKNSA-N 2 1 404.574 3.552 20 0 HHADMP C[C@H](NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511264639 1005097467 /nfs/dbraw/zinc/09/74/67/1005097467.db2.gz GNAPRKGDUHLXKV-UNMCSNQZSA-N 2 1 404.643 3.937 20 0 HHADMP C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511289640 1005109872 /nfs/dbraw/zinc/10/98/72/1005109872.db2.gz QQCWQGONGLOIDC-LEDOBFOHSA-N 2 1 401.570 3.949 20 0 HHADMP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511289640 1005109877 /nfs/dbraw/zinc/10/98/77/1005109877.db2.gz QQCWQGONGLOIDC-LEDOBFOHSA-N 2 1 401.570 3.949 20 0 HHADMP C[C@H](NC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511289640 1005109882 /nfs/dbraw/zinc/10/98/82/1005109882.db2.gz QQCWQGONGLOIDC-LEDOBFOHSA-N 2 1 401.570 3.949 20 0 HHADMP C[C@H](NC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511289640 1005109887 /nfs/dbraw/zinc/10/98/87/1005109887.db2.gz QQCWQGONGLOIDC-LEDOBFOHSA-N 2 1 401.570 3.949 20 0 HHADMP C[C@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511304757 1005116837 /nfs/dbraw/zinc/11/68/37/1005116837.db2.gz GERZJJTZDKSUQR-RXVVDRJESA-N 2 1 401.620 3.618 20 0 HHADMP O=C(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)N(c1ccccc1)C1CCCCC1 ZINC000513817421 1005142460 /nfs/dbraw/zinc/14/24/60/1005142460.db2.gz HKVPDJDZLUTFGN-UHFFFAOYSA-N 2 1 413.606 3.787 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000511428437 1005172542 /nfs/dbraw/zinc/17/25/42/1005172542.db2.gz NSBZUUJWMOGVDT-NRSPTQNISA-N 2 1 414.619 3.951 20 0 HHADMP CC1CC[NH+](C2CCC(NC(=O)NCCC[N@H+]3CCc4ccccc4C3)CC2)CC1 ZINC000502672741 1005173235 /nfs/dbraw/zinc/17/32/35/1005173235.db2.gz VESWXQXNFQESQE-UHFFFAOYSA-N 2 1 412.622 3.777 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000513887710 1005173787 /nfs/dbraw/zinc/17/37/87/1005173787.db2.gz KQWAEZXJAJBJOB-GBXCKJPGSA-N 2 1 406.574 3.786 20 0 HHADMP CCc1cccc2c(C3CC[NH+](Cc4cnc(N5CC[NH+](C)CC5)nc4)CC3)c[nH]c21 ZINC000511522971 1005210194 /nfs/dbraw/zinc/21/01/94/1005210194.db2.gz DSMYWZODMRQUDL-UHFFFAOYSA-N 2 1 418.589 3.652 20 0 HHADMP C[NH+](C)CC1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000511562455 1005225824 /nfs/dbraw/zinc/22/58/24/1005225824.db2.gz VATYEDFZSXVSGE-HRTMPFAESA-N 2 1 400.611 3.707 20 0 HHADMP O=C(NCC[N@@H+]1CCc2sccc2C1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000514028674 1005234319 /nfs/dbraw/zinc/23/43/19/1005234319.db2.gz IHWWLIXVIZRBAA-UHFFFAOYSA-N 2 1 412.603 3.592 20 0 HHADMP O=C(NCC[N@H+]1CCc2sccc2C1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000514028674 1005234322 /nfs/dbraw/zinc/23/43/22/1005234322.db2.gz IHWWLIXVIZRBAA-UHFFFAOYSA-N 2 1 412.603 3.592 20 0 HHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000514031992 1005235820 /nfs/dbraw/zinc/23/58/20/1005235820.db2.gz ALRCLAPKWUOADU-FQEVSTJZSA-N 2 1 400.611 3.982 20 0 HHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000502845005 1005241807 /nfs/dbraw/zinc/24/18/07/1005241807.db2.gz NKXIQGIPWLEPII-VQTJNVASSA-N 2 1 408.590 3.862 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000502862881 1005248733 /nfs/dbraw/zinc/24/87/33/1005248733.db2.gz OVEHRDHQFUIFKK-OYRHEFFESA-N 2 1 400.611 3.840 20 0 HHADMP COC(=O)c1csc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000514092018 1005261713 /nfs/dbraw/zinc/26/17/13/1005261713.db2.gz AWZCNEYYMBQCHX-BBWFWOEESA-N 2 1 402.560 3.995 20 0 HHADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000502893922 1005263531 /nfs/dbraw/zinc/26/35/31/1005263531.db2.gz TUGACRHWYHXRTH-HXUWFJFHSA-N 2 1 404.574 3.698 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000502893922 1005263534 /nfs/dbraw/zinc/26/35/34/1005263534.db2.gz TUGACRHWYHXRTH-HXUWFJFHSA-N 2 1 404.574 3.698 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000502893922 1005263536 /nfs/dbraw/zinc/26/35/36/1005263536.db2.gz TUGACRHWYHXRTH-HXUWFJFHSA-N 2 1 404.574 3.698 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000502893922 1005263538 /nfs/dbraw/zinc/26/35/38/1005263538.db2.gz TUGACRHWYHXRTH-HXUWFJFHSA-N 2 1 404.574 3.698 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1-n1ccnn1 ZINC000514096969 1005263885 /nfs/dbraw/zinc/26/38/85/1005263885.db2.gz YYZHEOGMTDTDRB-HSALFYBXSA-N 2 1 405.546 3.727 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000511678370 1005273080 /nfs/dbraw/zinc/27/30/80/1005273080.db2.gz ZGGQKOVSHIFNQO-CVDCTZTESA-N 2 1 409.599 3.801 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)[NH+]1CCCC1 ZINC000514178667 1005300021 /nfs/dbraw/zinc/30/00/21/1005300021.db2.gz AJRPCZFSYYUXRE-PZJWPPBQSA-N 2 1 416.610 3.642 20 0 HHADMP C[N@@H+](CCCNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000514244147 1005330389 /nfs/dbraw/zinc/33/03/89/1005330389.db2.gz CXPQNTNLEAPMJK-UHFFFAOYSA-N 2 1 400.611 3.852 20 0 HHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000503077921 1005341022 /nfs/dbraw/zinc/34/10/22/1005341022.db2.gz WDEGEHDEVBMFRZ-HSZRJFAPSA-N 2 1 408.571 3.749 20 0 HHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000503077921 1005341027 /nfs/dbraw/zinc/34/10/27/1005341027.db2.gz WDEGEHDEVBMFRZ-HSZRJFAPSA-N 2 1 408.571 3.749 20 0 HHADMP CC(C)[C@H](CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000503200428 1005367295 /nfs/dbraw/zinc/36/72/95/1005367295.db2.gz VHHPFCWJYRMNCP-RPWUZVMVSA-N 2 1 414.638 3.607 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[N@@H+]1CCc2sccc2C1 ZINC000503328058 1005391034 /nfs/dbraw/zinc/39/10/34/1005391034.db2.gz HNNOGQXFEQHPKU-VQTJNVASSA-N 2 1 418.651 3.792 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[N@H+]1CCc2sccc2C1 ZINC000503328058 1005391037 /nfs/dbraw/zinc/39/10/37/1005391037.db2.gz HNNOGQXFEQHPKU-VQTJNVASSA-N 2 1 418.651 3.792 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[NH+](C)C ZINC000503486694 1005434653 /nfs/dbraw/zinc/43/46/53/1005434653.db2.gz KFUFWUJYHFRZEG-IFMALSPDSA-N 2 1 416.610 3.596 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NC3CCC([NH+]4CCC(C)CC4)CC3)CC2)cs1 ZINC000503559247 1005452557 /nfs/dbraw/zinc/45/25/57/1005452557.db2.gz DRYCMQZPSMDHAV-UHFFFAOYSA-N 2 1 418.651 3.823 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3F)C2)CC1 ZINC000503589850 1005460174 /nfs/dbraw/zinc/46/01/74/1005460174.db2.gz XVLRCRKWSTXSAS-NRFANRHFSA-N 2 1 409.549 3.704 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](c3ccccc3F)C2)CC1 ZINC000503589850 1005460175 /nfs/dbraw/zinc/46/01/75/1005460175.db2.gz XVLRCRKWSTXSAS-NRFANRHFSA-N 2 1 409.549 3.704 20 0 HHADMP Cc1cccc(-c2n[nH]cc2C[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000504086113 1005549720 /nfs/dbraw/zinc/54/97/20/1005549720.db2.gz IAAHJBDTGXMJEH-DEOSSOPVSA-N 2 1 403.574 3.854 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000504174517 1005566884 /nfs/dbraw/zinc/56/68/84/1005566884.db2.gz AEOFQZMZCHSEKT-ZJSXRUAMSA-N 2 1 406.574 3.739 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000504174517 1005566886 /nfs/dbraw/zinc/56/68/86/1005566886.db2.gz AEOFQZMZCHSEKT-ZJSXRUAMSA-N 2 1 406.574 3.739 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000504174517 1005566887 /nfs/dbraw/zinc/56/68/87/1005566887.db2.gz AEOFQZMZCHSEKT-ZJSXRUAMSA-N 2 1 406.574 3.739 20 0 HHADMP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000534110253 1006085727 /nfs/dbraw/zinc/08/57/27/1006085727.db2.gz NRDGDUDYNNNFDM-LEWJYISDSA-N 2 1 407.002 3.847 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000534110253 1006085742 /nfs/dbraw/zinc/08/57/42/1006085742.db2.gz NRDGDUDYNNNFDM-LEWJYISDSA-N 2 1 407.002 3.847 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000534110253 1006085757 /nfs/dbraw/zinc/08/57/57/1006085757.db2.gz NRDGDUDYNNNFDM-LEWJYISDSA-N 2 1 407.002 3.847 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000534110253 1006085771 /nfs/dbraw/zinc/08/57/71/1006085771.db2.gz NRDGDUDYNNNFDM-LEWJYISDSA-N 2 1 407.002 3.847 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000531443839 1006200076 /nfs/dbraw/zinc/20/00/76/1006200076.db2.gz RHAZFAVRZPHBMX-LJQANCHMSA-N 2 1 412.603 3.696 20 0 HHADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000534220854 1006216380 /nfs/dbraw/zinc/21/63/80/1006216380.db2.gz WPPABSSEMGATFY-UHFFFAOYSA-N 2 1 405.340 3.695 20 0 HHADMP C[C@@H](CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C[NH+]1CCCCC1 ZINC000534249434 1006257217 /nfs/dbraw/zinc/25/72/17/1006257217.db2.gz GJPSUVZQEGAEIV-QFIPXVFZSA-N 2 1 412.622 3.806 20 0 HHADMP C[NH+](C)CCN(C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000534250804 1006258564 /nfs/dbraw/zinc/25/85/64/1006258564.db2.gz MTESSPSJGSNAII-UWJYYQICSA-N 2 1 424.992 3.988 20 0 HHADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)CCCO2 ZINC000531677591 1006348870 /nfs/dbraw/zinc/34/88/70/1006348870.db2.gz YTCWTAWKCLNAJI-UXHICEINSA-N 2 1 401.576 3.549 20 0 HHADMP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000531702943 1006365741 /nfs/dbraw/zinc/36/57/41/1006365741.db2.gz VTPWDIVJHXSBPR-WMZHIEFXSA-N 2 1 421.651 3.647 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000515518342 1006510377 /nfs/dbraw/zinc/51/03/77/1006510377.db2.gz AKXIUYMTGDIJCY-ZWKOTPCHSA-N 2 1 409.530 3.764 20 0 HHADMP COc1cccc(CNC(=O)[C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1 ZINC000515518740 1006511614 /nfs/dbraw/zinc/51/16/14/1006511614.db2.gz MXIYZWXNLBCKLA-PMACEKPBSA-N 2 1 409.574 3.722 20 0 HHADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531931944 1006528108 /nfs/dbraw/zinc/52/81/08/1006528108.db2.gz WBKYBMQOMSSGFK-APWZRJJASA-N 2 1 421.010 3.697 20 0 HHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC000531939635 1006533907 /nfs/dbraw/zinc/53/39/07/1006533907.db2.gz FOIXPWXYEKTAGW-CYFREDJKSA-N 2 1 406.574 3.601 20 0 HHADMP Clc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c(-n2cncn2)c1 ZINC000515559965 1006535919 /nfs/dbraw/zinc/53/59/19/1006535919.db2.gz XHSPDEHVTPCRFO-PZJWPPBQSA-N 2 1 407.949 3.875 20 0 HHADMP Clc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c(-n2cncn2)c1 ZINC000515559965 1006535931 /nfs/dbraw/zinc/53/59/31/1006535931.db2.gz XHSPDEHVTPCRFO-PZJWPPBQSA-N 2 1 407.949 3.875 20 0 HHADMP Clc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(-n2cncn2)c1 ZINC000515559965 1006535942 /nfs/dbraw/zinc/53/59/42/1006535942.db2.gz XHSPDEHVTPCRFO-PZJWPPBQSA-N 2 1 407.949 3.875 20 0 HHADMP Clc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(-n2cncn2)c1 ZINC000515559965 1006535949 /nfs/dbraw/zinc/53/59/49/1006535949.db2.gz XHSPDEHVTPCRFO-PZJWPPBQSA-N 2 1 407.949 3.875 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000531963159 1006549127 /nfs/dbraw/zinc/54/91/27/1006549127.db2.gz MYZOWRKKGXXNKK-FQEVSTJZSA-N 2 1 417.557 3.570 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](Cc2ccccc2)CN2CCOCC2)cc1 ZINC000531970484 1006552651 /nfs/dbraw/zinc/55/26/51/1006552651.db2.gz WFNOIIJZALVJNJ-HYBUGGRVSA-N 2 1 404.558 3.775 20 0 HHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](c3ccccc3)C3CCC3)CC2)cc1 ZINC000538353172 1006621023 /nfs/dbraw/zinc/62/10/23/1006621023.db2.gz BXMZJGJGMHQWGK-AREMUKBSSA-N 2 1 421.585 3.861 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](c3ccccc3)C3CCC3)CC2)cc1 ZINC000538353172 1006621028 /nfs/dbraw/zinc/62/10/28/1006621028.db2.gz BXMZJGJGMHQWGK-AREMUKBSSA-N 2 1 421.585 3.861 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)[C@H]1c1ccccc1 ZINC000534682822 1006662175 /nfs/dbraw/zinc/66/21/75/1006662175.db2.gz MVRJEQZEMJRUEK-BJKOFHAPSA-N 2 1 406.574 3.917 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2cnc(C3CC3)s2)c1)C1CCOCC1 ZINC000532138624 1006665422 /nfs/dbraw/zinc/66/54/22/1006665422.db2.gz YKKPLCKRPMHMAC-UHFFFAOYSA-N 2 1 401.576 3.800 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000532155474 1006679763 /nfs/dbraw/zinc/67/97/63/1006679763.db2.gz KJRGNYPYDIMPHW-UHFFFAOYSA-N 2 1 416.429 3.521 20 0 HHADMP CCN(C(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000532155464 1006679966 /nfs/dbraw/zinc/67/99/66/1006679966.db2.gz WPDMEPQUBKIIMO-ZCNNSNEGSA-N 2 1 419.585 3.556 20 0 HHADMP C[C@H](CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)C[NH+]1CCCCC1 ZINC000515825322 1006702215 /nfs/dbraw/zinc/70/22/15/1006702215.db2.gz OBQBLOWJGQGIDM-LEWJYISDSA-N 2 1 400.611 3.840 20 0 HHADMP C[C@@H](CNC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)C[NH+]1CCCC1 ZINC000515837741 1006710339 /nfs/dbraw/zinc/71/03/39/1006710339.db2.gz JTCHNCCQRDPKBW-HBMCJLEFSA-N 2 1 400.611 3.696 20 0 HHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000532193458 1006711655 /nfs/dbraw/zinc/71/16/55/1006711655.db2.gz VGNSUIZLHIHADH-UFPGJGBJSA-N 3 1 406.618 3.827 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)CC1 ZINC000515911565 1006756356 /nfs/dbraw/zinc/75/63/56/1006756356.db2.gz WCHGAXGBIOVDNI-UHFFFAOYSA-N 2 1 422.564 3.693 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000538536055 1006797902 /nfs/dbraw/zinc/79/79/02/1006797902.db2.gz NCLKDTZNHSLZKK-CPJSRVTESA-N 2 1 420.601 3.706 20 0 HHADMP C[N@@H+]1CC[C@@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534844078 1006863373 /nfs/dbraw/zinc/86/33/73/1006863373.db2.gz FTEKUQNOXQERCF-RTWAWAEBSA-N 2 1 404.986 3.745 20 0 HHADMP C[N@H+]1CC[C@@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534844078 1006863387 /nfs/dbraw/zinc/86/33/87/1006863387.db2.gz FTEKUQNOXQERCF-RTWAWAEBSA-N 2 1 404.986 3.745 20 0 HHADMP C[NH+]1CC[C@@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534844078 1006863402 /nfs/dbraw/zinc/86/34/02/1006863402.db2.gz FTEKUQNOXQERCF-RTWAWAEBSA-N 2 1 404.986 3.745 20 0 HHADMP C[NH+]1CC[C@@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534844078 1006863418 /nfs/dbraw/zinc/86/34/18/1006863418.db2.gz FTEKUQNOXQERCF-RTWAWAEBSA-N 2 1 404.986 3.745 20 0 HHADMP COc1cc(F)c([C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1OC ZINC000532442178 1006885565 /nfs/dbraw/zinc/88/55/65/1006885565.db2.gz AWRDJOCJEIZEEZ-MAUKXSAKSA-N 2 1 407.555 3.544 20 0 HHADMP CC[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000532442140 1006885636 /nfs/dbraw/zinc/88/56/36/1006885636.db2.gz SZJCBRODWWWHOW-MOPGFXCFSA-N 2 1 401.576 3.549 20 0 HHADMP C[C@H](CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)C[NH+]1CCCCC1 ZINC000516159437 1006922269 /nfs/dbraw/zinc/92/22/69/1006922269.db2.gz WZAMFSOTDOJMPI-NHCUHLMSSA-N 2 1 400.611 3.982 20 0 HHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2)[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000538662964 1006939228 /nfs/dbraw/zinc/93/92/28/1006939228.db2.gz UDDSKNNNTFYHCF-QFIPXVFZSA-N 2 1 415.622 3.824 20 0 HHADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000516204419 1006942100 /nfs/dbraw/zinc/94/21/00/1006942100.db2.gz ZCQPNYXVNJPULG-IFMALSPDSA-N 2 1 421.589 3.704 20 0 HHADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000516204420 1006942728 /nfs/dbraw/zinc/94/27/28/1006942728.db2.gz ZCQPNYXVNJPULG-IRLDBZIGSA-N 2 1 421.589 3.704 20 0 HHADMP c1c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000538719937 1006993588 /nfs/dbraw/zinc/99/35/88/1006993588.db2.gz SZBLYQIWOMFONX-QFIPXVFZSA-N 2 1 401.558 3.911 20 0 HHADMP c1c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000538719937 1006993594 /nfs/dbraw/zinc/99/35/94/1006993594.db2.gz SZBLYQIWOMFONX-QFIPXVFZSA-N 2 1 401.558 3.911 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000532579025 1007012844 /nfs/dbraw/zinc/01/28/44/1007012844.db2.gz FWTAIZFKAKRJGQ-QPPBQGQZSA-N 2 1 405.586 3.720 20 0 HHADMP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1OCc1ccccc1 ZINC000532628334 1007049893 /nfs/dbraw/zinc/04/98/93/1007049893.db2.gz GWHIQJLGWQBINI-DHIUTWEWSA-N 2 1 410.558 3.742 20 0 HHADMP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1OCc1ccccc1 ZINC000532628344 1007050110 /nfs/dbraw/zinc/05/01/10/1007050110.db2.gz GWHIQJLGWQBINI-GOTSBHOMSA-N 2 1 410.558 3.742 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1 ZINC000516582064 1007166435 /nfs/dbraw/zinc/16/64/35/1007166435.db2.gz PTRYXUHOJWHKKO-AUSIDOKSSA-N 2 1 412.553 3.734 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)C1 ZINC000532783985 1007180989 /nfs/dbraw/zinc/18/09/89/1007180989.db2.gz DVJBOFGFEKMMEP-FQEVSTJZSA-N 2 1 418.585 3.814 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)C1 ZINC000532783985 1007180999 /nfs/dbraw/zinc/18/09/99/1007180999.db2.gz DVJBOFGFEKMMEP-FQEVSTJZSA-N 2 1 418.585 3.814 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000516608679 1007189969 /nfs/dbraw/zinc/18/99/69/1007189969.db2.gz XHZJAUOWZXEFIB-LJQANCHMSA-N 2 1 400.611 3.769 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCCc2ccc(Br)s2)CC1 ZINC000516624001 1007200267 /nfs/dbraw/zinc/20/02/67/1007200267.db2.gz BXPHNDWYNAHSBK-UHFFFAOYSA-N 2 1 423.380 3.619 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1ccccc1OC(F)F ZINC000538942534 1007226617 /nfs/dbraw/zinc/22/66/17/1007226617.db2.gz CLRJRGWIMZZIRZ-UHFFFAOYSA-N 2 1 418.488 3.860 20 0 HHADMP Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538945159 1007229584 /nfs/dbraw/zinc/22/95/84/1007229584.db2.gz WDIXCFNZSCOPHQ-OAQYLSRUSA-N 2 1 408.590 3.676 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000516685490 1007231805 /nfs/dbraw/zinc/23/18/05/1007231805.db2.gz WHAFMRWGKUIUGJ-BKMJKUGQSA-N 2 1 407.602 3.573 20 0 HHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)CC1 ZINC000532922295 1007293842 /nfs/dbraw/zinc/29/38/42/1007293842.db2.gz MPBDXWSLJAUAME-UHFFFAOYSA-N 2 1 409.578 3.742 20 0 HHADMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000532926963 1007299401 /nfs/dbraw/zinc/29/94/01/1007299401.db2.gz RCXPINCVEDVELZ-UHFFFAOYSA-N 2 1 414.575 3.603 20 0 HHADMP O=C(C[NH+]1CCC(OC2CCCCC2)CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000516987909 1007359477 /nfs/dbraw/zinc/35/94/77/1007359477.db2.gz ILPQMHVZWFAUDA-UHFFFAOYSA-N 2 1 413.606 3.712 20 0 HHADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2cccc(NC(=O)c3ccc(OC)cc3)c2)[C@@H](C)C1 ZINC000539083141 1007372237 /nfs/dbraw/zinc/37/22/37/1007372237.db2.gz WPRMWCZDIBOHQY-MBSDFSHPSA-N 2 1 411.546 3.646 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000539160043 1007459932 /nfs/dbraw/zinc/45/99/32/1007459932.db2.gz JFSQSMZKTFPLNM-GOSISDBHSA-N 2 1 415.603 3.949 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)CC1 ZINC000535397309 1007463102 /nfs/dbraw/zinc/46/31/02/1007463102.db2.gz NIUALENPGGJVJT-DQEYMECFSA-N 2 1 420.601 3.985 20 0 HHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000535397309 1007463106 /nfs/dbraw/zinc/46/31/06/1007463106.db2.gz NIUALENPGGJVJT-DQEYMECFSA-N 2 1 420.601 3.985 20 0 HHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000535397309 1007463108 /nfs/dbraw/zinc/46/31/08/1007463108.db2.gz NIUALENPGGJVJT-DQEYMECFSA-N 2 1 420.601 3.985 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)c1 ZINC000539217495 1007508580 /nfs/dbraw/zinc/50/85/80/1007508580.db2.gz LPZNTFQADURQON-DEOSSOPVSA-N 2 1 411.521 3.727 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2CNc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000533219199 1007543696 /nfs/dbraw/zinc/54/36/96/1007543696.db2.gz SWFPXKJBBIZMDM-UHFFFAOYSA-N 2 1 408.590 3.663 20 0 HHADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000533240795 1007561670 /nfs/dbraw/zinc/56/16/70/1007561670.db2.gz BCZITWSAWWVAMU-HXUWFJFHSA-N 2 1 407.558 3.725 20 0 HHADMP O=C(NC1CC1)[C@@H](c1ccccc1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535674187 1007696908 /nfs/dbraw/zinc/69/69/08/1007696908.db2.gz CHVBCRXKSUIVFV-XMMPIXPASA-N 2 1 403.570 3.994 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535684343 1007716046 /nfs/dbraw/zinc/71/60/46/1007716046.db2.gz UVCMNOQSPBAABU-DBXWQHBBSA-N 2 1 422.976 3.742 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](C3CCCC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535697539 1007733547 /nfs/dbraw/zinc/73/35/47/1007733547.db2.gz AUTRCQYKCCOTQS-UTKZUKDTSA-N 2 1 422.976 3.742 20 0 HHADMP C[N@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535703407 1007741429 /nfs/dbraw/zinc/74/14/29/1007741429.db2.gz ZMBHMIIQHATOPI-PXNSSMCTSA-N 2 1 410.965 3.647 20 0 HHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)c2cccs2)CC1 ZINC000517524762 1007742814 /nfs/dbraw/zinc/74/28/14/1007742814.db2.gz JDGJITRRDKLCTR-FQEVSTJZSA-N 2 1 415.994 3.666 20 0 HHADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000517540347 1007756639 /nfs/dbraw/zinc/75/66/39/1007756639.db2.gz XITRFOCPEJIWOP-RDPSFJRHSA-N 2 1 424.564 3.879 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000517540347 1007756643 /nfs/dbraw/zinc/75/66/43/1007756643.db2.gz XITRFOCPEJIWOP-RDPSFJRHSA-N 2 1 424.564 3.879 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000517540347 1007756650 /nfs/dbraw/zinc/75/66/50/1007756650.db2.gz XITRFOCPEJIWOP-RDPSFJRHSA-N 2 1 424.564 3.879 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000517540347 1007756660 /nfs/dbraw/zinc/75/66/60/1007756660.db2.gz XITRFOCPEJIWOP-RDPSFJRHSA-N 2 1 424.564 3.879 20 0 HHADMP COc1cccc2cc([C@H](C)[NH2+]Cc3cccc(C[N@H+]4CCC[C@@H](C(N)=O)C4)c3)oc21 ZINC000539496376 1007807430 /nfs/dbraw/zinc/80/74/30/1007807430.db2.gz HUTCUOPAZANEGF-LAUBAEHRSA-N 2 1 421.541 3.990 20 0 HHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)c2)cc1 ZINC000535806098 1007815750 /nfs/dbraw/zinc/81/57/50/1007815750.db2.gz FBHYCOPXKCNSGS-YFNKSVMNSA-N 2 1 423.557 3.631 20 0 HHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)c2)cc1 ZINC000535806098 1007815761 /nfs/dbraw/zinc/81/57/61/1007815761.db2.gz FBHYCOPXKCNSGS-YFNKSVMNSA-N 2 1 423.557 3.631 20 0 HHADMP C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000517636070 1007844404 /nfs/dbraw/zinc/84/44/04/1007844404.db2.gz OSSQOYZJXCTDAB-RTWAWAEBSA-N 2 1 405.586 3.982 20 0 HHADMP C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000517636070 1007844414 /nfs/dbraw/zinc/84/44/14/1007844414.db2.gz OSSQOYZJXCTDAB-RTWAWAEBSA-N 2 1 405.586 3.982 20 0 HHADMP C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000517636070 1007844426 /nfs/dbraw/zinc/84/44/26/1007844426.db2.gz OSSQOYZJXCTDAB-RTWAWAEBSA-N 2 1 405.586 3.982 20 0 HHADMP C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000517636070 1007844437 /nfs/dbraw/zinc/84/44/37/1007844437.db2.gz OSSQOYZJXCTDAB-RTWAWAEBSA-N 2 1 405.586 3.982 20 0 HHADMP Cc1cccc(NC2CC[NH+]([C@@H](C)C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000533530927 1007851919 /nfs/dbraw/zinc/85/19/19/1007851919.db2.gz SNRVCHLPWDKWMC-SQJMNOBHSA-N 2 1 420.601 3.651 20 0 HHADMP Cc1cccc(NC2CC[NH+]([C@@H](C)C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000533530927 1007851944 /nfs/dbraw/zinc/85/19/44/1007851944.db2.gz SNRVCHLPWDKWMC-SQJMNOBHSA-N 2 1 420.601 3.651 20 0 HHADMP CC(=O)c1ccc(-c2ccc(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)o2)cc1 ZINC000517651822 1007864874 /nfs/dbraw/zinc/86/48/74/1007864874.db2.gz BXUNVVLOZNPMDN-UHFFFAOYSA-N 2 1 404.470 3.548 20 0 HHADMP C[C@H]1C[C@H](CCNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)C[NH+]1Cc1ccccc1 ZINC000533578674 1007881885 /nfs/dbraw/zinc/88/18/85/1007881885.db2.gz GVLCJEJTLNGUFM-UNMCSNQZSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@H]1C[C@H](CCNC(=O)N2CCC[NH+](C(C)(C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000533578674 1007881893 /nfs/dbraw/zinc/88/18/93/1007881893.db2.gz GVLCJEJTLNGUFM-UNMCSNQZSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@H]1C[C@H](CCNC(=O)N2CCC[NH+](C(C)(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000533578674 1007881912 /nfs/dbraw/zinc/88/19/12/1007881912.db2.gz GVLCJEJTLNGUFM-UNMCSNQZSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000539628812 1007946260 /nfs/dbraw/zinc/94/62/60/1007946260.db2.gz VSSQWIGXXVRTOT-QFQXNSOFSA-N 2 1 419.617 3.936 20 0 HHADMP CCOCCC[N@H+]1CC[C@H](Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)[C@H](C)C1 ZINC000539645963 1007962370 /nfs/dbraw/zinc/96/23/70/1007962370.db2.gz XGIXLCAWFGDVKY-QPPBQGQZSA-N 2 1 402.627 3.766 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N(C)[C@H]2CC[NH+](C)C[C@H]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539763623 1008077982 /nfs/dbraw/zinc/07/79/82/1008077982.db2.gz UXADWDYPRSWELG-HUJKARHJSA-N 2 1 424.992 3.985 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N(C)[C@H]2CC[NH+](C)C[C@H]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539763623 1008077992 /nfs/dbraw/zinc/07/79/92/1008077992.db2.gz UXADWDYPRSWELG-HUJKARHJSA-N 2 1 424.992 3.985 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539763623 1008078002 /nfs/dbraw/zinc/07/80/02/1008078002.db2.gz UXADWDYPRSWELG-HUJKARHJSA-N 2 1 424.992 3.985 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539763623 1008078009 /nfs/dbraw/zinc/07/80/09/1008078009.db2.gz UXADWDYPRSWELG-HUJKARHJSA-N 2 1 424.992 3.985 20 0 HHADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000536057657 1008087006 /nfs/dbraw/zinc/08/70/06/1008087006.db2.gz MISLBMLVOOEZKT-HSZRJFAPSA-N 2 1 408.546 3.860 20 0 HHADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000536057657 1008087012 /nfs/dbraw/zinc/08/70/12/1008087012.db2.gz MISLBMLVOOEZKT-HSZRJFAPSA-N 2 1 408.546 3.860 20 0 HHADMP C[NH+](C)CCOc1ccccc1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000518017591 1008106111 /nfs/dbraw/zinc/10/61/11/1008106111.db2.gz TWWLWUIOBRFGNV-UHFFFAOYSA-N 2 1 417.553 3.738 20 0 HHADMP COc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(-c2ccccc2)cc1OC ZINC000539824221 1008119081 /nfs/dbraw/zinc/11/90/81/1008119081.db2.gz DRGODZXMZJICOI-HYBUGGRVSA-N 2 1 423.601 3.829 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccccc3OCC[NH+](C)C)cc2)C1 ZINC000518051738 1008129814 /nfs/dbraw/zinc/12/98/14/1008129814.db2.gz RCYBNQLIPGTTFP-FQEVSTJZSA-N 2 1 409.574 3.789 20 0 HHADMP CCOc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1OCC(F)(F)F ZINC000539894246 1008169602 /nfs/dbraw/zinc/16/96/02/1008169602.db2.gz GCVLXIAGVBXJED-ZIFCJYIRSA-N 2 1 416.484 3.710 20 0 HHADMP CCOc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1OCC(F)(F)F ZINC000539894246 1008169606 /nfs/dbraw/zinc/16/96/06/1008169606.db2.gz GCVLXIAGVBXJED-ZIFCJYIRSA-N 2 1 416.484 3.710 20 0 HHADMP C[C@@H](CNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000540017376 1008239855 /nfs/dbraw/zinc/23/98/55/1008239855.db2.gz YSLJYQXBZBQXSK-PMACEKPBSA-N 2 1 401.599 3.592 20 0 HHADMP Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540043815 1008253337 /nfs/dbraw/zinc/25/33/37/1008253337.db2.gz GKTBZLCASJXNNW-OAQYLSRUSA-N 2 1 408.590 3.676 20 0 HHADMP CC[N@H+](CCC1CC[NH+](Cc2nc(-c3ccc4c(c3)OCO4)no2)CC1)CC1CC1 ZINC000540046080 1008255091 /nfs/dbraw/zinc/25/50/91/1008255091.db2.gz BPBRVZUGYDHXNH-UHFFFAOYSA-N 2 1 412.534 3.799 20 0 HHADMP CC[N@@H+](CCC1CC[NH+](Cc2nc(-c3ccc4c(c3)OCO4)no2)CC1)CC1CC1 ZINC000540046080 1008255094 /nfs/dbraw/zinc/25/50/94/1008255094.db2.gz BPBRVZUGYDHXNH-UHFFFAOYSA-N 2 1 412.534 3.799 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000540046255 1008255801 /nfs/dbraw/zinc/25/58/01/1008255801.db2.gz ZXQIVKSXQYSNLM-UHFFFAOYSA-N 2 1 410.606 3.705 20 0 HHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000540258258 1008357535 /nfs/dbraw/zinc/35/75/35/1008357535.db2.gz FNCJVDINIFSVBA-OTWHNJEPSA-N 2 1 415.603 3.663 20 0 HHADMP COc1ccc([C@@H](C)[NH2+]CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000540333216 1008384598 /nfs/dbraw/zinc/38/45/98/1008384598.db2.gz LNDLWERJWBWKER-VGSWGCGISA-N 2 1 415.965 3.953 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCOc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000540469383 1008444025 /nfs/dbraw/zinc/44/40/25/1008444025.db2.gz RNCWTIPCURWUPS-KRWDZBQOSA-N 2 1 413.543 3.704 20 0 HHADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(C[NH+](CC)C4CC4)cc3)CC2)cn1 ZINC000518870835 1008454316 /nfs/dbraw/zinc/45/43/16/1008454316.db2.gz YYHHKZQDQREKFE-UHFFFAOYSA-N 2 1 423.605 3.626 20 0 HHADMP CCCn1cc(C[N@H+]2CCCN(C(=O)c3ccc(C[NH+](CC)C4CC4)cc3)CC2)cn1 ZINC000518870835 1008454323 /nfs/dbraw/zinc/45/43/23/1008454323.db2.gz YYHHKZQDQREKFE-UHFFFAOYSA-N 2 1 423.605 3.626 20 0 HHADMP CCCn1cc(C[NH+]2CCCN(C(=O)c3ccc(C[N@H+](CC)C4CC4)cc3)CC2)cn1 ZINC000518870835 1008454329 /nfs/dbraw/zinc/45/43/29/1008454329.db2.gz YYHHKZQDQREKFE-UHFFFAOYSA-N 2 1 423.605 3.626 20 0 HHADMP CCCn1cc(C[NH+]2CCCN(C(=O)c3ccc(C[N@@H+](CC)C4CC4)cc3)CC2)cn1 ZINC000518870835 1008454333 /nfs/dbraw/zinc/45/43/33/1008454333.db2.gz YYHHKZQDQREKFE-UHFFFAOYSA-N 2 1 423.605 3.626 20 0 HHADMP C[N@@H+]1CCN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)[C@@H](c2ccccc2)C1 ZINC000518951390 1008484072 /nfs/dbraw/zinc/48/40/72/1008484072.db2.gz XIKPGIVFCJFJBL-HSZRJFAPSA-N 2 1 424.614 3.799 20 0 HHADMP C[N@H+]1CCN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)[C@@H](c2ccccc2)C1 ZINC000518951390 1008484075 /nfs/dbraw/zinc/48/40/75/1008484075.db2.gz XIKPGIVFCJFJBL-HSZRJFAPSA-N 2 1 424.614 3.799 20 0 HHADMP C[N@@H+]1CCN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)[C@H](c2ccccc2)C1 ZINC000518951394 1008484179 /nfs/dbraw/zinc/48/41/79/1008484179.db2.gz XIKPGIVFCJFJBL-QHCPKHFHSA-N 2 1 424.614 3.799 20 0 HHADMP C[N@H+]1CCN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)[C@H](c2ccccc2)C1 ZINC000518951394 1008484183 /nfs/dbraw/zinc/48/41/83/1008484183.db2.gz XIKPGIVFCJFJBL-QHCPKHFHSA-N 2 1 424.614 3.799 20 0 HHADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000545457844 1008569819 /nfs/dbraw/zinc/56/98/19/1008569819.db2.gz MRFZIVHQWVKVQD-MRXNPFEDSA-N 2 1 410.400 3.682 20 0 HHADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000545457844 1008569831 /nfs/dbraw/zinc/56/98/31/1008569831.db2.gz MRFZIVHQWVKVQD-MRXNPFEDSA-N 2 1 410.400 3.682 20 0 HHADMP CC[C@H](CC(F)(F)F)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000545493375 1008596886 /nfs/dbraw/zinc/59/68/86/1008596886.db2.gz URGGDGUAYLQWSO-QGZVFWFLSA-N 2 1 406.537 3.555 20 0 HHADMP COc1cccc([C@H]2CCC[N@@H+]2CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)c1 ZINC000549167715 1008740788 /nfs/dbraw/zinc/74/07/88/1008740788.db2.gz CRMSFWOZXKKNAV-RUZDIDTESA-N 2 1 421.585 3.875 20 0 HHADMP COc1cccc([C@H]2CCC[N@H+]2CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)c1 ZINC000549167715 1008740805 /nfs/dbraw/zinc/74/08/05/1008740805.db2.gz CRMSFWOZXKKNAV-RUZDIDTESA-N 2 1 421.585 3.875 20 0 HHADMP COc1cccc([C@H]2CCC[NH+]2CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)c1 ZINC000549167715 1008740817 /nfs/dbraw/zinc/74/08/17/1008740817.db2.gz CRMSFWOZXKKNAV-RUZDIDTESA-N 2 1 421.585 3.875 20 0 HHADMP COc1cccc([C@H]2CCC[NH+]2CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)c1 ZINC000549167715 1008740832 /nfs/dbraw/zinc/74/08/32/1008740832.db2.gz CRMSFWOZXKKNAV-RUZDIDTESA-N 2 1 421.585 3.875 20 0 HHADMP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000549207513 1008779063 /nfs/dbraw/zinc/77/90/63/1008779063.db2.gz PGDIULAHGJGFOE-QFIPXVFZSA-N 2 1 400.611 3.803 20 0 HHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000519490464 1008863354 /nfs/dbraw/zinc/86/33/54/1008863354.db2.gz DSNCLPMGVBIEKW-WOJBJXKFSA-N 2 1 406.640 3.914 20 0 HHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000519490464 1008863371 /nfs/dbraw/zinc/86/33/71/1008863371.db2.gz DSNCLPMGVBIEKW-WOJBJXKFSA-N 2 1 406.640 3.914 20 0 HHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000519490464 1008863389 /nfs/dbraw/zinc/86/33/89/1008863389.db2.gz DSNCLPMGVBIEKW-WOJBJXKFSA-N 2 1 406.640 3.914 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000519497169 1008868481 /nfs/dbraw/zinc/86/84/81/1008868481.db2.gz ZUMSODIWNONHBV-UHFFFAOYSA-N 2 1 422.658 3.611 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)C1 ZINC000519507269 1008879395 /nfs/dbraw/zinc/87/93/95/1008879395.db2.gz VQOFBTMUFBQGLZ-GOSISDBHSA-N 2 1 410.553 3.550 20 0 HHADMP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000549341138 1008920252 /nfs/dbraw/zinc/92/02/52/1008920252.db2.gz PICZFQDAKZGCML-UHFFFAOYSA-N 2 1 403.570 3.945 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(Cc2ccccn2)ccc1C ZINC000549391494 1008975743 /nfs/dbraw/zinc/97/57/43/1008975743.db2.gz KNZNGWWGTPEWDG-QHCPKHFHSA-N 2 1 423.605 3.861 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)[NH+](C)C ZINC000549451013 1009041074 /nfs/dbraw/zinc/04/10/74/1009041074.db2.gz VPUURYLPFAWIPZ-UXHICEINSA-N 2 1 418.969 3.553 20 0 HHADMP C[C@@H](NCCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000543459924 1009044385 /nfs/dbraw/zinc/04/43/85/1009044385.db2.gz GXWPTFVXFJZKIL-MESAYYPLSA-N 3 1 404.687 3.862 20 0 HHADMP C[C@@H](NCCC[NH2+][C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543459924 1009044391 /nfs/dbraw/zinc/04/43/91/1009044391.db2.gz GXWPTFVXFJZKIL-MESAYYPLSA-N 4 1 404.687 3.862 20 0 HHADMP C[C@@H](NCCC[NH2+][C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543459924 1009044403 /nfs/dbraw/zinc/04/44/03/1009044403.db2.gz GXWPTFVXFJZKIL-MESAYYPLSA-N 4 1 404.687 3.862 20 0 HHADMP C[C@@H]([NH2+]CCCN[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543459924 1009044417 /nfs/dbraw/zinc/04/44/17/1009044417.db2.gz GXWPTFVXFJZKIL-MESAYYPLSA-N 4 1 404.687 3.862 20 0 HHADMP C[C@@H]([NH2+]CCCN[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543459924 1009044432 /nfs/dbraw/zinc/04/44/32/1009044432.db2.gz GXWPTFVXFJZKIL-MESAYYPLSA-N 4 1 404.687 3.862 20 0 HHADMP C[C@@H]([NH2+]CCCN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000543459924 1009044446 /nfs/dbraw/zinc/04/44/46/1009044446.db2.gz GXWPTFVXFJZKIL-MESAYYPLSA-N 3 1 404.687 3.862 20 0 HHADMP C[C@@H]([NH2+]CCCN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000543459924 1009044459 /nfs/dbraw/zinc/04/44/59/1009044459.db2.gz GXWPTFVXFJZKIL-MESAYYPLSA-N 3 1 404.687 3.862 20 0 HHADMP CCOc1ccc([C@H](C)NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1OC ZINC000543460466 1009046823 /nfs/dbraw/zinc/04/68/23/1009046823.db2.gz MVTDGXFVDBSMCC-CMKODMSKSA-N 2 1 417.594 3.514 20 0 HHADMP CCOc1ccc([C@H](C)NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000543460466 1009046840 /nfs/dbraw/zinc/04/68/40/1009046840.db2.gz MVTDGXFVDBSMCC-CMKODMSKSA-N 2 1 417.594 3.514 20 0 HHADMP C[C@H]([NH2+]CCc1nc2sc3c(c2c(N)n1)CCCC3)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543461623 1009047834 /nfs/dbraw/zinc/04/78/34/1009047834.db2.gz OKPCECKVSASATC-HOTGVXAUSA-N 2 1 413.635 3.937 20 0 HHADMP CCOc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1OCC ZINC000543461553 1009047946 /nfs/dbraw/zinc/04/79/46/1009047946.db2.gz KMVBRFXOCGCNEM-ROUUACIJSA-N 2 1 403.567 3.665 20 0 HHADMP CCOc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1OCC ZINC000543461553 1009047964 /nfs/dbraw/zinc/04/79/64/1009047964.db2.gz KMVBRFXOCGCNEM-ROUUACIJSA-N 2 1 403.567 3.665 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000519934458 1009088676 /nfs/dbraw/zinc/08/86/76/1009088676.db2.gz YDJROOOWEQMKRG-UHFFFAOYSA-N 2 1 408.590 3.645 20 0 HHADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3ncc(-c4ccc(Cl)cc4)o3)CC2)CC1 ZINC000543521240 1009112696 /nfs/dbraw/zinc/11/26/96/1009112696.db2.gz MEAGLTWROPSZLP-UHFFFAOYSA-N 2 1 402.970 3.845 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)CC1 ZINC000519982970 1009128277 /nfs/dbraw/zinc/12/82/77/1009128277.db2.gz MMTAICXPILDWJZ-UHFFFAOYSA-N 2 1 400.611 3.585 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000519982970 1009128286 /nfs/dbraw/zinc/12/82/86/1009128286.db2.gz MMTAICXPILDWJZ-UHFFFAOYSA-N 2 1 400.611 3.585 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000519982970 1009128296 /nfs/dbraw/zinc/12/82/96/1009128296.db2.gz MMTAICXPILDWJZ-UHFFFAOYSA-N 2 1 400.611 3.585 20 0 HHADMP CC[C@@H](C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1)[NH+]1CCCC1 ZINC000546163663 1009195990 /nfs/dbraw/zinc/19/59/90/1009195990.db2.gz PAQZLWQVSNTOIH-IBGZPJMESA-N 2 1 422.411 3.826 20 0 HHADMP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000543628041 1009233792 /nfs/dbraw/zinc/23/37/92/1009233792.db2.gz JSAHCHDPGSNJEX-URVUXULASA-N 2 1 400.588 3.739 20 0 HHADMP O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)C1CC[NH+](C2CC2)CC1 ZINC000549637597 1009263104 /nfs/dbraw/zinc/26/31/04/1009263104.db2.gz CLESDZVVABQJLS-UHFFFAOYSA-N 2 1 410.389 3.948 20 0 HHADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[NH+]1CCc2ccccc2C1 ZINC000520106742 1009263909 /nfs/dbraw/zinc/26/39/09/1009263909.db2.gz CWDPLFHLZXZWLY-WMZHIEFXSA-N 2 1 409.549 3.601 20 0 HHADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000520106742 1009263914 /nfs/dbraw/zinc/26/39/14/1009263914.db2.gz CWDPLFHLZXZWLY-WMZHIEFXSA-N 2 1 409.549 3.601 20 0 HHADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)[N@H+]1CCc2ccccc2C1 ZINC000520106742 1009263920 /nfs/dbraw/zinc/26/39/20/1009263920.db2.gz CWDPLFHLZXZWLY-WMZHIEFXSA-N 2 1 409.549 3.601 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000543687874 1009296508 /nfs/dbraw/zinc/29/65/08/1009296508.db2.gz PAEXTKSNIWRNKC-URZJWIJPSA-N 2 1 422.564 3.860 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000543687874 1009296518 /nfs/dbraw/zinc/29/65/18/1009296518.db2.gz PAEXTKSNIWRNKC-URZJWIJPSA-N 2 1 422.564 3.860 20 0 HHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cccc(OCC(F)(F)F)c2)c2cccs2)CC1 ZINC000520190003 1009330144 /nfs/dbraw/zinc/33/01/44/1009330144.db2.gz FEQWLEFADQXICX-SFHVURJKSA-N 2 1 413.509 3.768 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCCOc2cccc(C)c2)cc1 ZINC000543814727 1009378363 /nfs/dbraw/zinc/37/83/63/1009378363.db2.gz NYYIMWVCEDDMMI-RBUKOAKNSA-N 2 1 406.530 3.723 20 0 HHADMP C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000543907635 1009492562 /nfs/dbraw/zinc/49/25/62/1009492562.db2.gz SKAUDDZWIWXJOG-MOPGFXCFSA-N 2 1 410.965 3.786 20 0 HHADMP C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000543907635 1009492569 /nfs/dbraw/zinc/49/25/69/1009492569.db2.gz SKAUDDZWIWXJOG-MOPGFXCFSA-N 2 1 410.965 3.786 20 0 HHADMP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000520374161 1009510924 /nfs/dbraw/zinc/51/09/24/1009510924.db2.gz PSHQZVWBWSNYKV-DEOSSOPVSA-N 2 1 421.585 3.690 20 0 HHADMP CC(C)[NH+]1CCN(c2ccc(C(=O)NCCCC[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000520463411 1009573317 /nfs/dbraw/zinc/57/33/17/1009573317.db2.gz XAYYJEUEMDTWFA-OAQYLSRUSA-N 2 1 400.611 3.601 20 0 HHADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CC3 ZINC000546603656 1009623919 /nfs/dbraw/zinc/62/39/19/1009623919.db2.gz FEWIQTAOAIQCEF-FQEVSTJZSA-N 2 1 405.542 3.656 20 0 HHADMP C[C@H](NC(=O)C[NH+]1[C@H](C)CC[C@H]1C)c1ccccc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000544041468 1009643781 /nfs/dbraw/zinc/64/37/81/1009643781.db2.gz NCZUXFBBXUZSGW-UEDWAMCQSA-N 2 1 414.594 3.548 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000520578644 1009658461 /nfs/dbraw/zinc/65/84/61/1009658461.db2.gz VUOCDASTXJTOET-GMAHTHKFSA-N 2 1 400.611 3.879 20 0 HHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000544348680 1009974483 /nfs/dbraw/zinc/97/44/83/1009974483.db2.gz RWXIINMRZYXVEM-LJQANCHMSA-N 2 1 401.308 3.504 20 0 HHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000544348680 1009974492 /nfs/dbraw/zinc/97/44/92/1009974492.db2.gz RWXIINMRZYXVEM-LJQANCHMSA-N 2 1 401.308 3.504 20 0 HHADMP C[C@H]([NH2+]CCN1c2cccc3cccc(c23)S1(=O)=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544419732 1010036796 /nfs/dbraw/zinc/03/67/96/1010036796.db2.gz LFDMBIOYPJZDRY-HKUYNNGSSA-N 2 1 413.587 3.591 20 0 HHADMP C[C@H]([NH2+]CCN1c2cccc3cccc(c23)S1(=O)=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544419732 1010036811 /nfs/dbraw/zinc/03/68/11/1010036811.db2.gz LFDMBIOYPJZDRY-HKUYNNGSSA-N 2 1 413.587 3.591 20 0 HHADMP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC000544421487 1010040000 /nfs/dbraw/zinc/04/00/00/1010040000.db2.gz LIRAKHWSUDYUDN-CEXWTWQISA-N 2 1 400.567 3.583 20 0 HHADMP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000544421487 1010040018 /nfs/dbraw/zinc/04/00/18/1010040018.db2.gz LIRAKHWSUDYUDN-CEXWTWQISA-N 2 1 400.567 3.583 20 0 HHADMP CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544422013 1010042765 /nfs/dbraw/zinc/04/27/65/1010042765.db2.gz PRCHXTFXMGQSGV-ULQDDVLXSA-N 2 1 421.607 3.803 20 0 HHADMP CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544422013 1010042780 /nfs/dbraw/zinc/04/27/80/1010042780.db2.gz PRCHXTFXMGQSGV-ULQDDVLXSA-N 2 1 421.607 3.803 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544422030 1010043705 /nfs/dbraw/zinc/04/37/05/1010043705.db2.gz QFBYDDVGSZLVQQ-FXAWDEMLSA-N 2 1 409.578 3.670 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544422030 1010043719 /nfs/dbraw/zinc/04/37/19/1010043719.db2.gz QFBYDDVGSZLVQQ-FXAWDEMLSA-N 2 1 409.578 3.670 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000521070515 1010087116 /nfs/dbraw/zinc/08/71/16/1010087116.db2.gz ZHFBPNMZAMHOIK-GOSISDBHSA-N 2 1 410.553 3.693 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(-c2nc(-c3cccc(N4CC[NH+](C)CC4)n3)no2)cc1 ZINC000547245526 1010191402 /nfs/dbraw/zinc/19/14/02/1010191402.db2.gz KHEOEFGYEQPOKT-UHFFFAOYSA-N 2 1 420.561 3.782 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547505545 1010332599 /nfs/dbraw/zinc/33/25/99/1010332599.db2.gz TYFCKQDKIUTYAK-PXDATVDWSA-N 3 1 407.602 3.644 20 0 HHADMP Cc1cc(OCCCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)ccc1Cl ZINC000521388292 1010351137 /nfs/dbraw/zinc/35/11/37/1010351137.db2.gz DLYTWCSBFJTRMQ-UHFFFAOYSA-N 2 1 402.926 3.593 20 0 HHADMP Cc1nc(-c2ccccc2C)sc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000547836164 1010444059 /nfs/dbraw/zinc/44/40/59/1010444059.db2.gz DHCPNUAMUWKNNG-UHFFFAOYSA-N 2 1 407.543 3.826 20 0 HHADMP COc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000521588682 1010484348 /nfs/dbraw/zinc/48/43/48/1010484348.db2.gz HFTNMMJXCQNQJD-DEOSSOPVSA-N 2 1 421.585 3.875 20 0 HHADMP COc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000521588682 1010484354 /nfs/dbraw/zinc/48/43/54/1010484354.db2.gz HFTNMMJXCQNQJD-DEOSSOPVSA-N 2 1 421.585 3.875 20 0 HHADMP COc1ccccc1[C@@H]1CCC[NH+]1CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000521588682 1010484365 /nfs/dbraw/zinc/48/43/65/1010484365.db2.gz HFTNMMJXCQNQJD-DEOSSOPVSA-N 2 1 421.585 3.875 20 0 HHADMP COc1ccccc1[C@@H]1CCC[NH+]1CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000521588682 1010484370 /nfs/dbraw/zinc/48/43/70/1010484370.db2.gz HFTNMMJXCQNQJD-DEOSSOPVSA-N 2 1 421.585 3.875 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155800 1010547979 /nfs/dbraw/zinc/54/79/79/1010547979.db2.gz FPTKCINGKTWORH-DRLORSAXSA-N 2 1 407.602 3.908 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1F ZINC000521753692 1010593427 /nfs/dbraw/zinc/59/34/27/1010593427.db2.gz DSVFCAWDIUKBPW-FQEVSTJZSA-N 2 1 424.495 3.987 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1F ZINC000521753692 1010593443 /nfs/dbraw/zinc/59/34/43/1010593443.db2.gz DSVFCAWDIUKBPW-FQEVSTJZSA-N 2 1 424.495 3.987 20 0 HHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000521770403 1010604803 /nfs/dbraw/zinc/60/48/03/1010604803.db2.gz CPPASIHKLUSUIY-DHIUTWEWSA-N 2 1 400.611 3.505 20 0 HHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000521770403 1010604811 /nfs/dbraw/zinc/60/48/11/1010604811.db2.gz CPPASIHKLUSUIY-DHIUTWEWSA-N 2 1 400.611 3.505 20 0 HHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000521770403 1010604816 /nfs/dbraw/zinc/60/48/16/1010604816.db2.gz CPPASIHKLUSUIY-DHIUTWEWSA-N 2 1 400.611 3.505 20 0 HHADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000545159644 1010657313 /nfs/dbraw/zinc/65/73/13/1010657313.db2.gz VNBLLRLKFPEDHJ-MGPUTAFESA-N 2 1 405.336 3.959 20 0 HHADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000545159644 1010657318 /nfs/dbraw/zinc/65/73/18/1010657318.db2.gz VNBLLRLKFPEDHJ-MGPUTAFESA-N 2 1 405.336 3.959 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000545246242 1010701089 /nfs/dbraw/zinc/70/10/89/1010701089.db2.gz HEFHJGSYRAGKFI-QZTJIDSGSA-N 2 1 411.571 3.625 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000545246242 1010701095 /nfs/dbraw/zinc/70/10/95/1010701095.db2.gz HEFHJGSYRAGKFI-QZTJIDSGSA-N 2 1 411.571 3.625 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](Cc2ccc(F)cc2)C2CC2)CC1 ZINC000548918187 1010759605 /nfs/dbraw/zinc/75/96/05/1010759605.db2.gz FCBJLCZXZFSLCP-UHFFFAOYSA-N 2 1 409.549 3.879 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)CC1 ZINC000548918187 1010759614 /nfs/dbraw/zinc/75/96/14/1010759614.db2.gz FCBJLCZXZFSLCP-UHFFFAOYSA-N 2 1 409.549 3.879 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000522079165 1010796311 /nfs/dbraw/zinc/79/63/11/1010796311.db2.gz LDDQAOHALQKEMK-HXUWFJFHSA-N 2 1 424.564 3.706 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000522079165 1010796317 /nfs/dbraw/zinc/79/63/17/1010796317.db2.gz LDDQAOHALQKEMK-HXUWFJFHSA-N 2 1 424.564 3.706 20 0 HHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000522318096 1010926442 /nfs/dbraw/zinc/92/64/42/1010926442.db2.gz QKSNQQOVWPRRJW-ZJSXRUAMSA-N 2 1 408.590 3.904 20 0 HHADMP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC000522444480 1011016089 /nfs/dbraw/zinc/01/60/89/1011016089.db2.gz UJLAYLCMBRRANQ-TZIWHRDSSA-N 2 1 407.002 3.678 20 0 HHADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC000522444480 1011016093 /nfs/dbraw/zinc/01/60/93/1011016093.db2.gz UJLAYLCMBRRANQ-TZIWHRDSSA-N 2 1 407.002 3.678 20 0 HHADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000522444480 1011016096 /nfs/dbraw/zinc/01/60/96/1011016096.db2.gz UJLAYLCMBRRANQ-TZIWHRDSSA-N 2 1 407.002 3.678 20 0 HHADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000522444480 1011016102 /nfs/dbraw/zinc/01/61/02/1011016102.db2.gz UJLAYLCMBRRANQ-TZIWHRDSSA-N 2 1 407.002 3.678 20 0 HHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000522596927 1011100192 /nfs/dbraw/zinc/10/01/92/1011100192.db2.gz OCCLRVSWOMYAHR-PLACYPQZSA-N 2 1 400.611 3.878 20 0 HHADMP Cc1[nH+]ccn1CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522765197 1011203309 /nfs/dbraw/zinc/20/33/09/1011203309.db2.gz RZSAZJHINFMKQA-MJGOQNOKSA-N 2 1 423.483 3.593 20 0 HHADMP Cc1[nH+]ccn1CCNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522765197 1011203313 /nfs/dbraw/zinc/20/33/13/1011203313.db2.gz RZSAZJHINFMKQA-MJGOQNOKSA-N 2 1 423.483 3.593 20 0 HHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](C)c3cccc(C)c3C)CC2)cc1 ZINC000540588310 1011243433 /nfs/dbraw/zinc/24/34/33/1011243433.db2.gz FEPXMABZZFNJIO-NRFANRHFSA-N 2 1 409.574 3.697 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](C)c3cccc(C)c3C)CC2)cc1 ZINC000540588310 1011243448 /nfs/dbraw/zinc/24/34/48/1011243448.db2.gz FEPXMABZZFNJIO-NRFANRHFSA-N 2 1 409.574 3.697 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000522823344 1011257111 /nfs/dbraw/zinc/25/71/11/1011257111.db2.gz PUVUUGPWYYDPFJ-FQEVSTJZSA-N 2 1 400.611 3.982 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@H]1c1ccccc1 ZINC000536159039 1011285895 /nfs/dbraw/zinc/28/58/95/1011285895.db2.gz YJYYJHZDWFXXQR-POEKJWFMSA-N 2 1 418.585 3.927 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@H]1c1ccccc1 ZINC000536159039 1011285912 /nfs/dbraw/zinc/28/59/12/1011285912.db2.gz YJYYJHZDWFXXQR-POEKJWFMSA-N 2 1 418.585 3.927 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H]1c1ccccc1 ZINC000536159039 1011285918 /nfs/dbraw/zinc/28/59/18/1011285918.db2.gz YJYYJHZDWFXXQR-POEKJWFMSA-N 2 1 418.585 3.927 20 0 HHADMP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)CC[C@H]21 ZINC000540667345 1011321474 /nfs/dbraw/zinc/32/14/74/1011321474.db2.gz DBYLCSYPMLTFSU-MISYRCLQSA-N 2 1 409.496 3.613 20 0 HHADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)CC[C@H]21 ZINC000540667345 1011321490 /nfs/dbraw/zinc/32/14/90/1011321490.db2.gz DBYLCSYPMLTFSU-MISYRCLQSA-N 2 1 409.496 3.613 20 0 HHADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)CC[C@H]21 ZINC000540667345 1011321499 /nfs/dbraw/zinc/32/14/99/1011321499.db2.gz DBYLCSYPMLTFSU-MISYRCLQSA-N 2 1 409.496 3.613 20 0 HHADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)CC[C@H]21 ZINC000540667345 1011321509 /nfs/dbraw/zinc/32/15/09/1011321509.db2.gz DBYLCSYPMLTFSU-MISYRCLQSA-N 2 1 409.496 3.613 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540718834 1011369720 /nfs/dbraw/zinc/36/97/20/1011369720.db2.gz NSIBXGQHYGIFBB-FCNFAXOHSA-N 2 1 410.965 3.785 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540718834 1011369729 /nfs/dbraw/zinc/36/97/29/1011369729.db2.gz NSIBXGQHYGIFBB-FCNFAXOHSA-N 2 1 410.965 3.785 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540718834 1011369738 /nfs/dbraw/zinc/36/97/38/1011369738.db2.gz NSIBXGQHYGIFBB-FCNFAXOHSA-N 2 1 410.965 3.785 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540718834 1011369750 /nfs/dbraw/zinc/36/97/50/1011369750.db2.gz NSIBXGQHYGIFBB-FCNFAXOHSA-N 2 1 410.965 3.785 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000536231436 1011380653 /nfs/dbraw/zinc/38/06/53/1011380653.db2.gz GCGPJPXDNKJSDA-TZRRMPRUSA-N 2 1 421.589 3.523 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000536231436 1011380664 /nfs/dbraw/zinc/38/06/64/1011380664.db2.gz GCGPJPXDNKJSDA-TZRRMPRUSA-N 2 1 421.589 3.523 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000536231436 1011380680 /nfs/dbraw/zinc/38/06/80/1011380680.db2.gz GCGPJPXDNKJSDA-TZRRMPRUSA-N 2 1 421.589 3.523 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC2CC[NH+](CC3CC3)CC2)c1 ZINC000540744356 1011396565 /nfs/dbraw/zinc/39/65/65/1011396565.db2.gz FKZCALTWCBWYHS-QGZVFWFLSA-N 2 1 402.558 3.925 20 0 HHADMP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc(Br)cc1 ZINC000540954070 1011598835 /nfs/dbraw/zinc/59/88/35/1011598835.db2.gz FZPZKMIJFCUPBW-PDGJWGCVSA-N 2 1 415.375 3.983 20 0 HHADMP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccc(Br)cc1 ZINC000540954069 1011598875 /nfs/dbraw/zinc/59/88/75/1011598875.db2.gz FZPZKMIJFCUPBW-NMIHRBCNSA-N 2 1 415.375 3.983 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000523220151 1011708560 /nfs/dbraw/zinc/70/85/60/1011708560.db2.gz CKMKBWOSAQRJFH-BVSLBCMMSA-N 2 1 410.562 3.860 20 0 HHADMP C[C@H](NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C(C)(C)C[NH+](C)C ZINC000536521434 1011713689 /nfs/dbraw/zinc/71/36/89/1011713689.db2.gz MWTFLOYWCUAFBO-FQEVSTJZSA-N 2 1 400.611 3.660 20 0 HHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC1)CC1CC1 ZINC000536590805 1011754018 /nfs/dbraw/zinc/75/40/18/1011754018.db2.gz PEKZLJUATNLORV-QHCPKHFHSA-N 2 1 418.601 3.972 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccsc1 ZINC000523341092 1011819429 /nfs/dbraw/zinc/81/94/29/1011819429.db2.gz YULBSYQJSVFZHA-FPOVZHCZSA-N 2 1 400.592 3.554 20 0 HHADMP C[C@H](CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)C[NH+]1CCOCC1 ZINC000523443633 1011937260 /nfs/dbraw/zinc/93/72/60/1011937260.db2.gz ZXISADHREDWEML-LJQANCHMSA-N 2 1 402.583 3.541 20 0 HHADMP C[C@H](CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)C[NH+]1CCOCC1 ZINC000523443633 1011937265 /nfs/dbraw/zinc/93/72/65/1011937265.db2.gz ZXISADHREDWEML-LJQANCHMSA-N 2 1 402.583 3.541 20 0 HHADMP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000536830954 1012060208 /nfs/dbraw/zinc/06/02/08/1012060208.db2.gz FRPKHQBBBBNCLC-WOJBJXKFSA-N 2 1 409.640 3.736 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]Cc4cccc(N5CCOCC5)n4)[C@H]3C2)cc1 ZINC000552067618 1012085402 /nfs/dbraw/zinc/08/54/02/1012085402.db2.gz RJMLLEZBXBUKLX-HVCNVCAESA-N 2 1 420.601 3.699 20 0 HHADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000536861525 1012095730 /nfs/dbraw/zinc/09/57/30/1012095730.db2.gz FSDJPBOEFZWFQH-AUSIDOKSSA-N 2 1 421.651 3.850 20 0 HHADMP C[NH+](C)CCn1ncc(C(=O)NCC[N@@H+]2CC=C(C(C)(C)C)CC2)c1-c1ccccc1 ZINC000552165902 1012184144 /nfs/dbraw/zinc/18/41/44/1012184144.db2.gz IZHARWBMACJKAV-UHFFFAOYSA-N 2 1 423.605 3.520 20 0 HHADMP COc1ccc(C[C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c(C)c1OC ZINC000552238898 1012248002 /nfs/dbraw/zinc/24/80/02/1012248002.db2.gz PCUHPNDRBNOTCJ-FXAWDEMLSA-N 2 1 417.619 3.583 20 0 HHADMP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000523667690 1012264463 /nfs/dbraw/zinc/26/44/63/1012264463.db2.gz SSPUFHUGLIRWDT-XMMPIXPASA-N 2 1 406.574 3.596 20 0 HHADMP C[C@@H]([NH2+]CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599968 1012396175 /nfs/dbraw/zinc/39/61/75/1012396175.db2.gz SEGGXTNNUBCKON-QUCCMNQESA-N 2 1 421.589 3.931 20 0 HHADMP C[C@@H]([NH2+]CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599968 1012396188 /nfs/dbraw/zinc/39/61/88/1012396188.db2.gz SEGGXTNNUBCKON-QUCCMNQESA-N 2 1 421.589 3.931 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000523832692 1012519714 /nfs/dbraw/zinc/51/97/14/1012519714.db2.gz IAJZQBDTLXXEIE-REWPJTCUSA-N 2 1 406.574 3.635 20 0 HHADMP COc1ccc(OC)c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000537159269 1012557075 /nfs/dbraw/zinc/55/70/75/1012557075.db2.gz KOXXNTSNIDFJQJ-HZPDHXFCSA-N 2 1 408.502 3.876 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCc1ccc2[nH]ccc2c1 ZINC000537188816 1012599887 /nfs/dbraw/zinc/59/98/87/1012599887.db2.gz TWOZDMDMPIEVBX-UHFFFAOYSA-N 2 1 410.606 3.755 20 0 HHADMP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1O2 ZINC000537192767 1012606770 /nfs/dbraw/zinc/60/67/70/1012606770.db2.gz YOXDUJWFQQOXOE-QGZVFWFLSA-N 2 1 419.447 3.620 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1F ZINC000523904449 1012617178 /nfs/dbraw/zinc/61/71/78/1012617178.db2.gz VFDYVVSHYMSJNP-UTKZUKDTSA-N 2 1 421.520 3.955 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1F ZINC000523904449 1012617192 /nfs/dbraw/zinc/61/71/92/1012617192.db2.gz VFDYVVSHYMSJNP-UTKZUKDTSA-N 2 1 421.520 3.955 20 0 HHADMP CCOc1ccc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OCC ZINC000552678626 1012685253 /nfs/dbraw/zinc/68/52/53/1012685253.db2.gz VJZKMINUBIQKQP-BGYRXZFFSA-N 2 1 420.594 3.574 20 0 HHADMP CCOc1ccc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OCC ZINC000552678626 1012685265 /nfs/dbraw/zinc/68/52/65/1012685265.db2.gz VJZKMINUBIQKQP-BGYRXZFFSA-N 2 1 420.594 3.574 20 0 HHADMP CC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cc(F)cc(Br)c1 ZINC000537289338 1012746796 /nfs/dbraw/zinc/74/67/96/1012746796.db2.gz UIRXBGVZZXSCAI-SFHVURJKSA-N 2 1 414.363 3.572 20 0 HHADMP CC[C@H]([NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1)c1ccc(C)cc1 ZINC000537292170 1012750474 /nfs/dbraw/zinc/75/04/74/1012750474.db2.gz RYYQUUNQRLHAKK-DEOSSOPVSA-N 2 1 409.574 3.779 20 0 HHADMP CC[C@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1)c1ccc(C)cc1 ZINC000537292170 1012750484 /nfs/dbraw/zinc/75/04/84/1012750484.db2.gz RYYQUUNQRLHAKK-DEOSSOPVSA-N 2 1 409.574 3.779 20 0 HHADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](c2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000541904373 1012764629 /nfs/dbraw/zinc/76/46/29/1012764629.db2.gz NAURXRQNECYJEC-NRFANRHFSA-N 2 1 423.454 3.688 20 0 HHADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000541915098 1012773713 /nfs/dbraw/zinc/77/37/13/1012773713.db2.gz XWFBRGLJNOWAJK-JPYJTQIMSA-N 2 1 410.562 3.634 20 0 HHADMP COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000537345905 1012809981 /nfs/dbraw/zinc/80/99/81/1012809981.db2.gz PWJMODBUFQDHJE-UHFFFAOYSA-N 2 1 418.541 3.908 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(N3CCCC3=O)c2)cc1 ZINC000541956211 1012819598 /nfs/dbraw/zinc/81/95/98/1012819598.db2.gz VXPPNLFEMFORQV-KRWDZBQOSA-N 2 1 417.513 3.597 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)COCc2ccccc2Cl)cc1F ZINC000552838410 1012848160 /nfs/dbraw/zinc/84/81/60/1012848160.db2.gz SOIVNLNVNPBTGS-GOSISDBHSA-N 2 1 403.885 3.641 20 0 HHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3c(C)nn(-c4ccccc4)c3C)CC2)CC1 ZINC000552881842 1012888753 /nfs/dbraw/zinc/88/87/53/1012888753.db2.gz RSPLGDNQSGYUFF-UHFFFAOYSA-N 2 1 409.578 3.624 20 0 HHADMP CCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(CCC[NH+](CC)CC)CC3)C2=O)cc1 ZINC000542008585 1012891826 /nfs/dbraw/zinc/89/18/26/1012891826.db2.gz IYLFCRMYWPPVKM-QFIPXVFZSA-N 2 1 415.578 3.551 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000524139950 1012925375 /nfs/dbraw/zinc/92/53/75/1012925375.db2.gz HKMIPAQMOAPMKM-NNXSRULWSA-N 2 1 400.611 3.944 20 0 HHADMP CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000524156233 1012946915 /nfs/dbraw/zinc/94/69/15/1012946915.db2.gz XNGQPZGASLDLEM-LJQANCHMSA-N 2 1 416.610 3.548 20 0 HHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+]([C@@H]1Cc3ccc(OC)cc3C1)CC2 ZINC001168266286 1071830547 /nfs/dbraw/zinc/83/05/47/1071830547.db2.gz DICARIGBNRFAEE-DNQXCXABSA-N 2 1 421.585 3.561 20 0 HHADMP C[NH+](C)[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1ccc(Cl)cc1 ZINC001127000240 1071984115 /nfs/dbraw/zinc/98/41/15/1071984115.db2.gz AWLPTHHHBQRPPR-OAQYLSRUSA-N 2 1 415.969 3.507 20 0 HHADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000569775709 1072047658 /nfs/dbraw/zinc/04/76/58/1072047658.db2.gz FRDVLCNZOQILAV-KRWDZBQOSA-N 2 1 414.516 3.651 20 0 HHADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000569775709 1072047665 /nfs/dbraw/zinc/04/76/65/1072047665.db2.gz FRDVLCNZOQILAV-KRWDZBQOSA-N 2 1 414.516 3.651 20 0 HHADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000569775709 1072047666 /nfs/dbraw/zinc/04/76/66/1072047666.db2.gz FRDVLCNZOQILAV-KRWDZBQOSA-N 2 1 414.516 3.651 20 0 HHADMP Cc1noc([C@H]2CCC[NH+](CCCCCC[N@@H+]3CCC[C@H](c4nc(C)no4)C3)C2)n1 ZINC000729815151 1072129977 /nfs/dbraw/zinc/12/99/77/1072129977.db2.gz PUSMSEOUCHWNQR-PMACEKPBSA-N 2 1 416.570 3.689 20 0 HHADMP O[C@@H](CN1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1)C[NH+]1CCCC1 ZINC000913116697 1072332817 /nfs/dbraw/zinc/33/28/17/1072332817.db2.gz GWVFPUGFSKZATK-GOSISDBHSA-N 2 1 420.022 3.643 20 0 HHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000586855773 1072477223 /nfs/dbraw/zinc/47/72/23/1072477223.db2.gz IKLGYNXASNRKQX-UNMCSNQZSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000586855773 1072477224 /nfs/dbraw/zinc/47/72/24/1072477224.db2.gz IKLGYNXASNRKQX-UNMCSNQZSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000586855773 1072477225 /nfs/dbraw/zinc/47/72/25/1072477225.db2.gz IKLGYNXASNRKQX-UNMCSNQZSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000586857859 1072480678 /nfs/dbraw/zinc/48/06/78/1072480678.db2.gz GERAKGFCKMTQTH-HBMCJLEFSA-N 2 1 400.611 3.564 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000586869373 1072492366 /nfs/dbraw/zinc/49/23/66/1072492366.db2.gz WREIZRVQQKSGQR-FGZHOGPDSA-N 2 1 412.578 3.874 20 0 HHADMP Cc1[nH+]ccn1CC(=O)c1cccc(-c2noc([C@@H]3CCCC[C@]34CC[NH2+]C4)n2)c1 ZINC001212118380 1072531665 /nfs/dbraw/zinc/53/16/65/1072531665.db2.gz LFMRMJAWXOJLMQ-WMZHIEFXSA-N 2 1 405.502 3.762 20 0 HHADMP Cc1nc(C[NH+]2CCC(C[NH2+]CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)oc1C ZINC000760674464 1072744006 /nfs/dbraw/zinc/74/40/06/1072744006.db2.gz GGGOKQXMOGETPZ-UHFFFAOYSA-N 2 1 420.598 3.740 20 0 HHADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)C[C@@H](C)O1 ZINC000479409552 1072831496 /nfs/dbraw/zinc/83/14/96/1072831496.db2.gz FTBWPSYGCXANHZ-NJDAHSKKSA-N 2 1 422.658 3.560 20 0 HHADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)C[C@@H](C)O1 ZINC000479409552 1072831505 /nfs/dbraw/zinc/83/15/05/1072831505.db2.gz FTBWPSYGCXANHZ-NJDAHSKKSA-N 2 1 422.658 3.560 20 0 HHADMP C[C@H](C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000571808019 1072859525 /nfs/dbraw/zinc/85/95/25/1072859525.db2.gz TYLZUBIHGBCOIY-QGZVFWFLSA-N 2 1 419.491 3.986 20 0 HHADMP CC(=O)c1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)cc1 ZINC000554871897 1072917340 /nfs/dbraw/zinc/91/73/40/1072917340.db2.gz ZWCCQZAJIQJWGD-DFIYOIEZSA-N 2 1 424.585 3.897 20 0 HHADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000588709482 1073155923 /nfs/dbraw/zinc/15/59/23/1073155923.db2.gz BWSJPLRUVIIJJR-NUJGCVRESA-N 2 1 407.986 3.797 20 0 HHADMP C[C@@H](NC(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1cccc2ccccc21 ZINC000588710637 1073157082 /nfs/dbraw/zinc/15/70/82/1073157082.db2.gz UBWLAZOQHCMGCQ-QHAWAJNXSA-N 2 1 423.601 3.838 20 0 HHADMP C[C@@H](NC(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1cccc2ccccc21 ZINC000588710637 1073157085 /nfs/dbraw/zinc/15/70/85/1073157085.db2.gz UBWLAZOQHCMGCQ-QHAWAJNXSA-N 2 1 423.601 3.838 20 0 HHADMP CC[C@H](NC(=O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)c1ccc(Cl)cc1 ZINC000588711937 1073157561 /nfs/dbraw/zinc/15/75/61/1073157561.db2.gz VEYWEZNKEQZGSO-SPEDKVCISA-N 2 1 422.013 3.729 20 0 HHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@@H](O)COc3cc(C)cc(C)c3)C2)s1 ZINC000572108750 1073196934 /nfs/dbraw/zinc/19/69/34/1073196934.db2.gz BRIIBJCXDBOFJS-LEWJYISDSA-N 2 1 402.604 3.867 20 0 HHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)COc3cc(C)cc(C)c3)C2)s1 ZINC000572108750 1073196940 /nfs/dbraw/zinc/19/69/40/1073196940.db2.gz BRIIBJCXDBOFJS-LEWJYISDSA-N 2 1 402.604 3.867 20 0 HHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)COc3cc(C)cc(C)c3)C2)s1 ZINC000572108750 1073196945 /nfs/dbraw/zinc/19/69/45/1073196945.db2.gz BRIIBJCXDBOFJS-LEWJYISDSA-N 2 1 402.604 3.867 20 0 HHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000555210588 1073264595 /nfs/dbraw/zinc/26/45/95/1073264595.db2.gz CUGVOELKFKYWNB-VXKWHMMOSA-N 2 1 423.605 3.920 20 0 HHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000555210588 1073264598 /nfs/dbraw/zinc/26/45/98/1073264598.db2.gz CUGVOELKFKYWNB-VXKWHMMOSA-N 2 1 423.605 3.920 20 0 HHADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cccc(C)c1 ZINC000555633866 1073689728 /nfs/dbraw/zinc/68/97/28/1073689728.db2.gz CKHQYGKKAHLHAY-RPWUZVMVSA-N 2 1 402.542 3.532 20 0 HHADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cccc(C)c1 ZINC000555633866 1073689731 /nfs/dbraw/zinc/68/97/31/1073689731.db2.gz CKHQYGKKAHLHAY-RPWUZVMVSA-N 2 1 402.542 3.532 20 0 HHADMP CCn1c(C[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)nc2ccccc21 ZINC000590302654 1073716682 /nfs/dbraw/zinc/71/66/82/1073716682.db2.gz LZPHEOOSZMMWIV-UHFFFAOYSA-N 2 1 422.573 3.836 20 0 HHADMP CCn1c(C[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)nc2ccccc21 ZINC000590302654 1073716692 /nfs/dbraw/zinc/71/66/92/1073716692.db2.gz LZPHEOOSZMMWIV-UHFFFAOYSA-N 2 1 422.573 3.836 20 0 HHADMP Cc1cc(=O)oc2cc(NC(=O)[C@@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C(C)C)ccc12 ZINC001168368556 1074159500 /nfs/dbraw/zinc/15/95/00/1074159500.db2.gz LKHXVKAMJUKGHD-QHCPKHFHSA-N 2 1 411.546 3.529 20 0 HHADMP CC(C)[NH+]1CCC(N(C)C(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000591648964 1074476622 /nfs/dbraw/zinc/47/66/22/1074476622.db2.gz NXDFLFWSJGLSCH-FQEVSTJZSA-N 2 1 401.595 3.885 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000592520607 1074780470 /nfs/dbraw/zinc/78/04/70/1074780470.db2.gz LAZGIFCTZMSETM-HXUWFJFHSA-N 2 1 421.029 3.972 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000592520606 1074780593 /nfs/dbraw/zinc/78/05/93/1074780593.db2.gz LAZGIFCTZMSETM-FQEVSTJZSA-N 2 1 421.029 3.972 20 0 HHADMP COC[C@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(Cl)c1 ZINC000574192075 1075173261 /nfs/dbraw/zinc/17/32/61/1075173261.db2.gz CGZNHBYOKDXILD-QFIPXVFZSA-N 2 1 415.965 3.529 20 0 HHADMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3cccc(-c4ccccn4)c3)CC2)C[C@H](C)O1 ZINC000574200629 1075174119 /nfs/dbraw/zinc/17/41/19/1075174119.db2.gz DFEUNOYGUPBTDW-SFTDATJTSA-N 2 1 409.574 3.839 20 0 HHADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000574314997 1075218987 /nfs/dbraw/zinc/21/89/87/1075218987.db2.gz QKAYBZYFQQFKAR-WCIQWLHISA-N 2 1 402.583 3.568 20 0 HHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000574314997 1075218990 /nfs/dbraw/zinc/21/89/90/1075218990.db2.gz QKAYBZYFQQFKAR-WCIQWLHISA-N 2 1 402.583 3.568 20 0 HHADMP O=C(N1CCC[C@@H]([NH+]2CCCC2)C1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000593829944 1075229256 /nfs/dbraw/zinc/22/92/56/1075229256.db2.gz GDVRIJRWALGJFO-TZIWHRDSSA-N 2 1 409.496 3.528 20 0 HHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)CC1 ZINC000596691749 1075574538 /nfs/dbraw/zinc/57/45/38/1075574538.db2.gz UUJMMCHNYFDRSI-UHFFFAOYSA-N 2 1 418.585 3.722 20 0 HHADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCC(F)(C[NH3+])CC3)n2)CCC4)CC1 ZINC001164386807 718813225 /nfs/dbraw/zinc/81/32/25/718813225.db2.gz AIPQQCZSFKDQHG-UHFFFAOYSA-N 2 1 417.598 3.679 20 0 HHADMP FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001164413228 718880587 /nfs/dbraw/zinc/88/05/87/718880587.db2.gz DWOHKAQZAUGCOG-HNNXBMFYSA-N 2 1 402.892 3.984 20 0 HHADMP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@H+](C(C)(C)c1ccnc(Cl)c1)C2 ZINC001164619700 719011717 /nfs/dbraw/zinc/01/17/17/719011717.db2.gz WVAPIRVRPSVBTR-JTSKRJEESA-N 2 1 405.970 3.615 20 0 HHADMP C[NH+]1CCC(Oc2ccnc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2)CC1 ZINC001164628440 719110009 /nfs/dbraw/zinc/11/00/09/719110009.db2.gz MVOXFYPACPWBOG-URXFXBBRSA-N 2 1 406.574 3.655 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)Oc2ccc(Cl)nc2Cl)c2c1CC[NH2+]C2 ZINC001164679733 719649749 /nfs/dbraw/zinc/64/97/49/719649749.db2.gz KXNAOUZOZPRFHN-UHFFFAOYSA-N 2 1 420.291 3.657 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)Oc2ccc(Cl)nc2Cl)c2c1CC[NH2+]C2 ZINC001164679733 719649753 /nfs/dbraw/zinc/64/97/53/719649753.db2.gz KXNAOUZOZPRFHN-UHFFFAOYSA-N 2 1 420.291 3.657 20 0 HHADMP COc1ccc2c[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)cc2c1 ZINC001164840691 720575936 /nfs/dbraw/zinc/57/59/36/720575936.db2.gz SPRCCGIXCMDGEW-QNWVGRARSA-N 2 1 405.546 3.818 20 0 HHADMP COc1ccc2c[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc2c1 ZINC001164840691 720575955 /nfs/dbraw/zinc/57/59/55/720575955.db2.gz SPRCCGIXCMDGEW-QNWVGRARSA-N 2 1 405.546 3.818 20 0 HHADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164842820 720587659 /nfs/dbraw/zinc/58/76/59/720587659.db2.gz VRFLDYGYDNUIGW-IRFCIJBXSA-N 2 1 407.566 3.587 20 0 HHADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164842820 720587662 /nfs/dbraw/zinc/58/76/62/720587662.db2.gz VRFLDYGYDNUIGW-IRFCIJBXSA-N 2 1 407.566 3.587 20 0 HHADMP Cc1nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cc(N2CCCC2)[nH+]1 ZINC001164839185 720665486 /nfs/dbraw/zinc/66/54/86/720665486.db2.gz JDBVKPSKUWWMDA-QFIPXVFZSA-N 2 1 421.589 3.645 20 0 HHADMP Cc1nc(N2CCCC2)cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH+]1 ZINC001164839185 720665496 /nfs/dbraw/zinc/66/54/96/720665496.db2.gz JDBVKPSKUWWMDA-QFIPXVFZSA-N 2 1 421.589 3.645 20 0 HHADMP Cc1nc(N2CCCC2)cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH+]1 ZINC001164839185 720665510 /nfs/dbraw/zinc/66/55/10/720665510.db2.gz JDBVKPSKUWWMDA-QFIPXVFZSA-N 2 1 421.589 3.645 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N3CCCC3)cc[nH+]1)CC2 ZINC001164839877 720701634 /nfs/dbraw/zinc/70/16/34/720701634.db2.gz CLTIHWKDYKBNBP-HSZRJFAPSA-N 2 1 406.574 3.942 20 0 HHADMP FC1(F)CCN(c2cc(N3CCCC3)cc[nH+]2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906810 721716328 /nfs/dbraw/zinc/71/63/28/721716328.db2.gz OLUJKKIETRYWIC-QFIPXVFZSA-N 2 1 413.516 3.815 20 0 HHADMP CN(CC1CC[NH+](C)CC1)c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001165043375 721937114 /nfs/dbraw/zinc/93/71/14/721937114.db2.gz UPQCQMHXXDPZHR-UHFFFAOYSA-N 2 1 413.635 3.944 20 0 HHADMP C[NH+](C)CC1CCN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC000052404272 721949216 /nfs/dbraw/zinc/94/92/16/721949216.db2.gz BRIBMFXQPWUQIM-UHFFFAOYSA-N 2 1 413.635 3.944 20 0 HHADMP COc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)[nH+]c2ccccc21 ZINC001164961750 722058125 /nfs/dbraw/zinc/05/81/25/722058125.db2.gz OVLSEYINZAXDSU-UHFFFAOYSA-N 2 1 418.541 3.757 20 0 HHADMP COc1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)[nH+]c2ccccc21 ZINC001164961750 722058128 /nfs/dbraw/zinc/05/81/28/722058128.db2.gz OVLSEYINZAXDSU-UHFFFAOYSA-N 2 1 418.541 3.757 20 0 HHADMP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000542135975 1013068453 /nfs/dbraw/zinc/06/84/53/1013068453.db2.gz WTXNHQYKUPJBJA-MSYCTHLASA-N 2 1 423.557 3.691 20 0 HHADMP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000542135975 1013068466 /nfs/dbraw/zinc/06/84/66/1013068466.db2.gz WTXNHQYKUPJBJA-MSYCTHLASA-N 2 1 423.557 3.691 20 0 HHADMP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000542142461 1013077022 /nfs/dbraw/zinc/07/70/22/1013077022.db2.gz MXAVOIIGIFBYMY-VGOFRKELSA-N 2 1 414.594 3.852 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1cccc(F)c1 ZINC000303050876 971476891 /nfs/dbraw/zinc/47/68/91/971476891.db2.gz VCVIKNKCVUJJIM-SIKLNZKXSA-N 2 1 401.501 3.596 20 0 HHADMP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000303078957 971492259 /nfs/dbraw/zinc/49/22/59/971492259.db2.gz SURYOJTUOKFRSE-ISKFKSNPSA-N 2 1 409.549 3.991 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000303149344 971528866 /nfs/dbraw/zinc/52/88/66/971528866.db2.gz MKHHTMMZFCYHEK-FGZHOGPDSA-N 2 1 424.614 3.727 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000303149344 971528874 /nfs/dbraw/zinc/52/88/74/971528874.db2.gz MKHHTMMZFCYHEK-FGZHOGPDSA-N 2 1 424.614 3.727 20 0 HHADMP C[C@@H]1[C@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C[C@@H]1c1ccccc1 ZINC000542169821 1013107521 /nfs/dbraw/zinc/10/75/21/1013107521.db2.gz UWUVPPWXDBFLSU-WDJPJFJCSA-N 2 1 407.558 3.629 20 0 HHADMP C[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)[NH+](C)Cc1ccccc1 ZINC000303428426 971709981 /nfs/dbraw/zinc/70/99/81/971709981.db2.gz BIAWCMRRKNXFNY-HXUWFJFHSA-N 2 1 412.553 3.564 20 0 HHADMP C[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)[NH+](C)Cc1ccccc1 ZINC000303428426 971709988 /nfs/dbraw/zinc/70/99/88/971709988.db2.gz BIAWCMRRKNXFNY-HXUWFJFHSA-N 2 1 412.553 3.564 20 0 HHADMP C[C@H](CNC(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000303428426 971709997 /nfs/dbraw/zinc/70/99/97/971709997.db2.gz BIAWCMRRKNXFNY-HXUWFJFHSA-N 2 1 412.553 3.564 20 0 HHADMP C[C@H](CNC(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000303428426 971710003 /nfs/dbraw/zinc/71/00/03/971710003.db2.gz BIAWCMRRKNXFNY-HXUWFJFHSA-N 2 1 412.553 3.564 20 0 HHADMP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000303430829 971713423 /nfs/dbraw/zinc/71/34/23/971713423.db2.gz CBCJVZQLGYLHFU-VECHLYKBSA-N 2 1 412.622 3.849 20 0 HHADMP C[C@H]1CCC[C@@](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)([NH+](C)C)C1 ZINC000303488657 971787401 /nfs/dbraw/zinc/78/74/01/971787401.db2.gz RRGFFINKCYLYRC-UAJVTNAGSA-N 2 1 412.622 3.992 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)[NH+]1CCCC1 ZINC000303491485 971789688 /nfs/dbraw/zinc/78/96/88/971789688.db2.gz SFYRPTSGAWBIQZ-NZQKXSOJSA-N 2 1 424.589 3.652 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)[NH+](C)C)cc1 ZINC000303785781 972026457 /nfs/dbraw/zinc/02/64/57/972026457.db2.gz DMAYZHJXCJSKLP-QPPBQGQZSA-N 2 1 408.590 3.904 20 0 HHADMP C[C@H]1C[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000537621854 1013166674 /nfs/dbraw/zinc/16/66/74/1013166674.db2.gz JHYRFADUOQPVCO-SQJMNOBHSA-N 2 1 421.633 3.683 20 0 HHADMP C[C@H]1C[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000537621854 1013166686 /nfs/dbraw/zinc/16/66/86/1013166686.db2.gz JHYRFADUOQPVCO-SQJMNOBHSA-N 2 1 421.633 3.683 20 0 HHADMP C[C@@H]1C[C@@H]([NH+](C)CCCN2C(=O)c3ccccc3C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000303881728 972422349 /nfs/dbraw/zinc/42/23/49/972422349.db2.gz RCXXRYYYTNPFJD-CTNGQTDRSA-N 2 1 405.542 3.658 20 0 HHADMP C[C@@H]1C[C@@H]([NH+](C)CCCN2C(=O)c3ccccc3C2=O)CC[N@H+]1Cc1ccccc1 ZINC000303881728 972422366 /nfs/dbraw/zinc/42/23/66/972422366.db2.gz RCXXRYYYTNPFJD-CTNGQTDRSA-N 2 1 405.542 3.658 20 0 HHADMP C[C@@H]1C[C@@H]([N@H+](C)CCCN2C(=O)c3ccccc3C2=O)CC[NH+]1Cc1ccccc1 ZINC000303881728 972422371 /nfs/dbraw/zinc/42/23/71/972422371.db2.gz RCXXRYYYTNPFJD-CTNGQTDRSA-N 2 1 405.542 3.658 20 0 HHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCN2C(=O)c3ccccc3C2=O)CC[NH+]1Cc1ccccc1 ZINC000303881728 972422379 /nfs/dbraw/zinc/42/23/79/972422379.db2.gz RCXXRYYYTNPFJD-CTNGQTDRSA-N 2 1 405.542 3.658 20 0 HHADMP COc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)ccc1OCc1ccccc1 ZINC000537660217 1013220537 /nfs/dbraw/zinc/22/05/37/1013220537.db2.gz BECYLAKDKOODRO-DEOSSOPVSA-N 2 1 423.601 3.875 20 0 HHADMP C[N@@H+](C[C@H](O)COc1ccccc1C(F)(F)F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000542279948 1013240073 /nfs/dbraw/zinc/24/00/73/1013240073.db2.gz GPFFQIDIBHXNBY-PMACEKPBSA-N 2 1 422.491 3.899 20 0 HHADMP C[NH+](C[C@H](O)COc1ccccc1C(F)(F)F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000542279948 1013240085 /nfs/dbraw/zinc/24/00/85/1013240085.db2.gz GPFFQIDIBHXNBY-PMACEKPBSA-N 2 1 422.491 3.899 20 0 HHADMP C[NH+](C[C@H](O)COc1ccccc1C(F)(F)F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000542279948 1013240094 /nfs/dbraw/zinc/24/00/94/1013240094.db2.gz GPFFQIDIBHXNBY-PMACEKPBSA-N 2 1 422.491 3.899 20 0 HHADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc(C)c1OCc1ccccn1 ZINC000537693790 1013258657 /nfs/dbraw/zinc/25/86/57/1013258657.db2.gz ZEHFMTWICMAZAS-KMDXXIMOSA-N 2 1 409.574 3.961 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(F)c(OC(C)C)c(F)c1 ZINC000542391154 1013344487 /nfs/dbraw/zinc/34/44/87/1013344487.db2.gz FJHYSSGHFYOFAF-KRWDZBQOSA-N 2 1 412.525 3.632 20 0 HHADMP C[NH+](C)[C@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000542395496 1013348726 /nfs/dbraw/zinc/34/87/26/1013348726.db2.gz XVKXJCWWTPWYGC-ISJGIBHGSA-N 2 1 421.585 3.642 20 0 HHADMP CCN(Cc1cccc(F)c1)C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537844678 1013407834 /nfs/dbraw/zinc/40/78/34/1013407834.db2.gz CJWQTSJRYJCCFL-UHFFFAOYSA-N 2 1 412.553 3.808 20 0 HHADMP C[C@H]([NH2+]CC(=O)N[C@@H](c1nccs1)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529801 1013471727 /nfs/dbraw/zinc/47/17/27/1013471727.db2.gz TXXHSINZVJMEKL-LQBOVUBWSA-N 2 1 412.603 3.591 20 0 HHADMP C[C@H]([NH2+]CC(=O)N[C@@H](c1nccs1)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529801 1013471736 /nfs/dbraw/zinc/47/17/36/1013471736.db2.gz TXXHSINZVJMEKL-LQBOVUBWSA-N 2 1 412.603 3.591 20 0 HHADMP C[C@H]([NH2+]CC(=O)Nc1ccnn1CC1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542530675 1013472782 /nfs/dbraw/zinc/47/27/82/1013472782.db2.gz GMCAQAUCGREUQI-AZUAARDMSA-N 2 1 401.599 3.645 20 0 HHADMP C[C@H]([NH2+]CC(=O)Nc1ccnn1CC1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542530675 1013472789 /nfs/dbraw/zinc/47/27/89/1013472789.db2.gz GMCAQAUCGREUQI-AZUAARDMSA-N 2 1 401.599 3.645 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NCc3ccccc3C[NH+]3CCCC3)cc2)C[C@@H](C)O1 ZINC000025073325 964165478 /nfs/dbraw/zinc/16/54/78/964165478.db2.gz SYICOCABLPOGAV-NHCUHLMSSA-N 2 1 421.585 3.822 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)cc2)C[C@H](C)O1 ZINC000025126174 964186303 /nfs/dbraw/zinc/18/63/03/964186303.db2.gz WLGUEVVAZSMJDE-OYRHEFFESA-N 2 1 421.585 3.822 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)cc2)C[C@H](C)O1 ZINC000025126174 964186311 /nfs/dbraw/zinc/18/63/11/964186311.db2.gz WLGUEVVAZSMJDE-OYRHEFFESA-N 2 1 421.585 3.822 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000050137765 964275195 /nfs/dbraw/zinc/27/51/95/964275195.db2.gz RNDKQLCYJLHTPM-PMACEKPBSA-N 2 1 406.640 3.771 20 0 HHADMP C[C@H]1CCC[NH+](CCCCNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000050137765 964275205 /nfs/dbraw/zinc/27/52/05/964275205.db2.gz RNDKQLCYJLHTPM-PMACEKPBSA-N 2 1 406.640 3.771 20 0 HHADMP C[C@H]1CCC[NH+](CCCCNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000050137765 964275213 /nfs/dbraw/zinc/27/52/13/964275213.db2.gz RNDKQLCYJLHTPM-PMACEKPBSA-N 2 1 406.640 3.771 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000050137763 964275797 /nfs/dbraw/zinc/27/57/97/964275797.db2.gz WAKVWZOWWLOUSN-PMACEKPBSA-N 2 1 406.640 3.914 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000050137763 964275806 /nfs/dbraw/zinc/27/58/06/964275806.db2.gz WAKVWZOWWLOUSN-PMACEKPBSA-N 2 1 406.640 3.914 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000050137763 964275818 /nfs/dbraw/zinc/27/58/18/964275818.db2.gz WAKVWZOWWLOUSN-PMACEKPBSA-N 2 1 406.640 3.914 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)cc2)C[C@H](C)O1 ZINC000028843810 965199063 /nfs/dbraw/zinc/19/90/63/965199063.db2.gz RDKNVXVDNQOLAV-TYBLODHISA-N 2 1 421.585 3.863 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)cc2)C[C@H](C)O1 ZINC000028843810 965199068 /nfs/dbraw/zinc/19/90/68/965199068.db2.gz RDKNVXVDNQOLAV-TYBLODHISA-N 2 1 421.585 3.863 20 0 HHADMP O=C(NCC[N@@H+]1CCc2sccc2C1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000054686068 965612034 /nfs/dbraw/zinc/61/20/34/965612034.db2.gz FOLBDEURKSOOLK-UHFFFAOYSA-N 2 1 412.603 3.592 20 0 HHADMP O=C(NCC[N@H+]1CCc2sccc2C1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000054686068 965612056 /nfs/dbraw/zinc/61/20/56/965612056.db2.gz FOLBDEURKSOOLK-UHFFFAOYSA-N 2 1 412.603 3.592 20 0 HHADMP Brc1ccc(OCc2ccccn2)c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000030906913 965828079 /nfs/dbraw/zinc/82/80/79/965828079.db2.gz DNUDPYCULJJWEY-INIZCTEOSA-N 2 1 416.363 3.997 20 0 HHADMP Brc1ccc(OCc2ccccn2)c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000030906913 965828090 /nfs/dbraw/zinc/82/80/90/965828090.db2.gz DNUDPYCULJJWEY-INIZCTEOSA-N 2 1 416.363 3.997 20 0 HHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000058687014 965844002 /nfs/dbraw/zinc/84/40/02/965844002.db2.gz GBVVGQHYXDMKMG-UHFFFAOYSA-N 2 1 408.590 3.864 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@@H]3CCC[NH+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000031541684 966045646 /nfs/dbraw/zinc/04/56/46/966045646.db2.gz JEELTJZZDDSULI-TYBLODHISA-N 2 1 421.585 3.690 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@@H]3CCC[NH+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000031541684 966045658 /nfs/dbraw/zinc/04/56/58/966045658.db2.gz JEELTJZZDDSULI-TYBLODHISA-N 2 1 421.585 3.690 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000031541684 966045666 /nfs/dbraw/zinc/04/56/66/966045666.db2.gz JEELTJZZDDSULI-TYBLODHISA-N 2 1 421.585 3.690 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000031541684 966045677 /nfs/dbraw/zinc/04/56/77/966045677.db2.gz JEELTJZZDDSULI-TYBLODHISA-N 2 1 421.585 3.690 20 0 HHADMP CC(C)[NH+]1CCN(c2ccc(C(=O)N3C[C@H]4CCC[N@H+]4Cc4ccccc43)cc2)CC1 ZINC000060219987 966078613 /nfs/dbraw/zinc/07/86/13/966078613.db2.gz QFAYVWLZYNVQBC-XMMPIXPASA-N 2 1 418.585 3.842 20 0 HHADMP CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@H]3CC[N@H+]([C@@H](C)c4ccccc4)C3)cc2)CC1 ZINC000061190779 966392304 /nfs/dbraw/zinc/39/23/04/966392304.db2.gz FKFNWZJMONFZBH-URXFXBBRSA-N 2 1 420.601 3.782 20 0 HHADMP COc1c(Br)cc(C[NH2+]CCC[NH+]2CCCC2)cc1Br ZINC000036325149 966430779 /nfs/dbraw/zinc/43/07/79/966430779.db2.gz ODIUDJHGMWMVEG-UHFFFAOYSA-N 2 1 406.162 3.796 20 0 HHADMP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000061530706 966491421 /nfs/dbraw/zinc/49/14/21/966491421.db2.gz PCMKDLWAZSPFBJ-ZWKOTPCHSA-N 2 1 407.002 3.724 20 0 HHADMP C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000061553546 966499157 /nfs/dbraw/zinc/49/91/57/966499157.db2.gz KKWKRMSYQVZWMY-NRFANRHFSA-N 2 1 420.601 3.919 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1cccc(F)c1 ZINC000061790296 966554612 /nfs/dbraw/zinc/55/46/12/966554612.db2.gz LTKJVUWELCUPGQ-OAQYLSRUSA-N 2 1 416.566 3.799 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000061941747 966583864 /nfs/dbraw/zinc/58/38/64/966583864.db2.gz IZBLZDHNSRRTGR-GCJKJVERSA-N 2 1 414.619 3.877 20 0 HHADMP O=C(COc1ccccc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCC1 ZINC000062426782 966674174 /nfs/dbraw/zinc/67/41/74/966674174.db2.gz XBVLDLINMCXBHK-HSZRJFAPSA-N 2 1 421.585 3.690 20 0 HHADMP O=C(COc1ccccc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCC1 ZINC000062426782 966674177 /nfs/dbraw/zinc/67/41/77/966674177.db2.gz XBVLDLINMCXBHK-HSZRJFAPSA-N 2 1 421.585 3.690 20 0 HHADMP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000063112494 966756299 /nfs/dbraw/zinc/75/62/99/966756299.db2.gz RVESGPFHQVUONA-RUZDIDTESA-N 2 1 405.586 3.927 20 0 HHADMP S=C(NCCC[N@H+]1CCc2ccccc2C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063148100 966762162 /nfs/dbraw/zinc/76/21/62/966762162.db2.gz KNDILWJKNSHWQQ-UHFFFAOYSA-N 2 1 422.642 3.564 20 0 HHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000063331947 966823033 /nfs/dbraw/zinc/82/30/33/966823033.db2.gz VKJCLMYJSSSIPO-UHFFFAOYSA-N 2 1 412.622 3.867 20 0 HHADMP CN(CCC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1cc[nH+]cc1 ZINC000542784827 1013681266 /nfs/dbraw/zinc/68/12/66/1013681266.db2.gz RCTRJUKKFBQFBB-KKSFZXQISA-N 2 1 404.917 3.510 20 0 HHADMP C[N@@H+](CCCNC(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000063463935 966866345 /nfs/dbraw/zinc/86/63/45/966866345.db2.gz PSZWINAQOCNDBH-DEOSSOPVSA-N 2 1 408.590 3.720 20 0 HHADMP C[NH+](CCCNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000063463935 966866351 /nfs/dbraw/zinc/86/63/51/966866351.db2.gz PSZWINAQOCNDBH-DEOSSOPVSA-N 2 1 408.590 3.720 20 0 HHADMP C[NH+](CCCNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000063463935 966866358 /nfs/dbraw/zinc/86/63/58/966866358.db2.gz PSZWINAQOCNDBH-DEOSSOPVSA-N 2 1 408.590 3.720 20 0 HHADMP COC(=O)COc1c(C)cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1C ZINC000063916442 966996961 /nfs/dbraw/zinc/99/69/61/966996961.db2.gz GWIGRUICBXNYND-UHFFFAOYSA-N 2 1 411.477 3.778 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000064227951 967093739 /nfs/dbraw/zinc/09/37/39/967093739.db2.gz PVHDRLFFMNEITQ-UHFFFAOYSA-N 2 1 408.590 3.850 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cn1 ZINC000064236999 967100497 /nfs/dbraw/zinc/10/04/97/967100497.db2.gz QOTMDVOJWROYIS-QFIPXVFZSA-N 2 1 418.545 3.520 20 0 HHADMP C[C@H]1CN(C(=O)c2ccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cc2)C[C@H](C)O1 ZINC000542842967 1013703526 /nfs/dbraw/zinc/70/35/26/1013703526.db2.gz GMPOVEGAOQBSOK-PMACEKPBSA-N 2 1 413.606 3.823 20 0 HHADMP COc1c(Br)cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1Br ZINC000044533245 967231877 /nfs/dbraw/zinc/23/18/77/967231877.db2.gz GIQVKPGWHORFGK-NSHDSACASA-N 2 1 406.162 3.652 20 0 HHADMP COc1c(Br)cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1Br ZINC000044533245 967231895 /nfs/dbraw/zinc/23/18/95/967231895.db2.gz GIQVKPGWHORFGK-NSHDSACASA-N 2 1 406.162 3.652 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000065521422 967505786 /nfs/dbraw/zinc/50/57/86/967505786.db2.gz FLKUGAYFPLNOKE-NTKDMRAZSA-N 2 1 424.564 3.925 20 0 HHADMP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000047970677 968380710 /nfs/dbraw/zinc/38/07/10/968380710.db2.gz LBNDNBCQMJDSED-HSZRJFAPSA-N 2 1 415.578 3.901 20 0 HHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000048073104 968408952 /nfs/dbraw/zinc/40/89/52/968408952.db2.gz CQYFMDALMIMXPJ-UHFFFAOYSA-N 2 1 404.599 3.991 20 0 HHADMP CC(C)[NH+]1CCN(c2ccc(C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000065750090 968624004 /nfs/dbraw/zinc/62/40/04/968624004.db2.gz XAYYJEUEMDTWFA-NRFANRHFSA-N 2 1 400.611 3.601 20 0 HHADMP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000538274111 1013813087 /nfs/dbraw/zinc/81/30/87/1013813087.db2.gz HATSHOZZIOWRSW-QFIPXVFZSA-N 3 1 409.574 3.705 20 0 HHADMP C[N@@H+](CCCNC(=O)NC1CC[NH+](CC2CCCCC2)CC1)Cc1ccccc1 ZINC000066037522 968778090 /nfs/dbraw/zinc/77/80/90/968778090.db2.gz PDBUQXZQASCVBR-UHFFFAOYSA-N 2 1 400.611 3.852 20 0 HHADMP COc1c(C)cc(C[N@@H+](C)[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000072074069 968975265 /nfs/dbraw/zinc/97/52/65/968975265.db2.gz OMANRAPPULSXGZ-OAQYLSRUSA-N 2 1 423.601 3.913 20 0 HHADMP CC(C)[C@@H](CNC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)[NH+]1CCC(C)CC1 ZINC000078872727 969019935 /nfs/dbraw/zinc/01/99/35/969019935.db2.gz GUCXPGWVNNHULY-NZQKXSOJSA-N 2 1 416.610 3.958 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)[NH+](C)C)cc1 ZINC000078872860 969020034 /nfs/dbraw/zinc/02/00/34/969020034.db2.gz YDXKRWKRHFMBFA-WMZHIEFXSA-N 2 1 410.562 3.813 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)CC(C)C ZINC000078872663 969020340 /nfs/dbraw/zinc/02/03/40/969020340.db2.gz ILPDGSJURYWUFQ-UGKGYDQZSA-N 2 1 404.599 3.958 20 0 HHADMP COc1cccc([C@H](CNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)[NH+](C)C)c1 ZINC000108414279 969381739 /nfs/dbraw/zinc/38/17/39/969381739.db2.gz RDIGFJMSPJWHNC-QHCPKHFHSA-N 2 1 416.610 3.596 20 0 HHADMP C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000108592630 969397960 /nfs/dbraw/zinc/39/79/60/969397960.db2.gz OIWIEUWCBOPQDC-NRFANRHFSA-N 2 1 415.965 3.847 20 0 HHADMP COc1ccc(Br)cc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000110427296 969666543 /nfs/dbraw/zinc/66/65/43/969666543.db2.gz GDVZMELZCHNCJD-IYBDPMFKSA-N 2 1 411.384 3.779 20 0 HHADMP COc1ccc(Br)cc1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000110427296 969666551 /nfs/dbraw/zinc/66/65/51/969666551.db2.gz GDVZMELZCHNCJD-IYBDPMFKSA-N 2 1 411.384 3.779 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NCC(C)(C)[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)cs1 ZINC000111215257 969806263 /nfs/dbraw/zinc/80/62/63/969806263.db2.gz JUQYHIKZULIQGJ-IAGOWNOFSA-N 2 1 406.640 3.536 20 0 HHADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000139895133 970051405 /nfs/dbraw/zinc/05/14/05/970051405.db2.gz NLEVVXPVLBRDOX-NRFANRHFSA-N 2 1 410.587 3.631 20 0 HHADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000139895133 970051415 /nfs/dbraw/zinc/05/14/15/970051415.db2.gz NLEVVXPVLBRDOX-NRFANRHFSA-N 2 1 410.587 3.631 20 0 HHADMP C[C@@H](c1ccc(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1)[NH+]1CCOCC1 ZINC000554442938 1013951067 /nfs/dbraw/zinc/95/10/67/1013951067.db2.gz QESDYRYACJWXLL-JTSKRJEESA-N 2 1 414.525 3.643 20 0 HHADMP C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000554451174 1013954542 /nfs/dbraw/zinc/95/45/42/1013954542.db2.gz BRMZGOPGHCSNAC-YKSBVNFPSA-N 2 1 406.574 3.613 20 0 HHADMP CC(C)(C)OC(=O)N1CCc2cccc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)c21 ZINC000236773379 970170308 /nfs/dbraw/zinc/17/03/08/970170308.db2.gz FRYHNFIGBXQFMA-SFHVURJKSA-N 2 1 415.578 3.575 20 0 HHADMP COCC[NH+]1CCC([NH2+]Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)CC1 ZINC000237108675 970224012 /nfs/dbraw/zinc/22/40/12/970224012.db2.gz ZKGGTIGXTKOELD-MRXNPFEDSA-N 2 1 414.390 3.759 20 0 HHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(C(N)=O)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237126699 970226941 /nfs/dbraw/zinc/22/69/41/970226941.db2.gz ACDNFLBUTNAVJA-QUCCMNQESA-N 2 1 405.464 3.977 20 0 HHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(C(N)=O)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237126699 970226949 /nfs/dbraw/zinc/22/69/49/970226949.db2.gz ACDNFLBUTNAVJA-QUCCMNQESA-N 2 1 405.464 3.977 20 0 HHADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccccc2OCC(=O)NCC2CC2)CC1 ZINC000237733040 970349604 /nfs/dbraw/zinc/34/96/04/970349604.db2.gz CEHYGULIYFQIGO-UHFFFAOYSA-N 2 1 421.585 3.654 20 0 HHADMP C[C@@H]1CN(C(=O)c2ccc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC000237761334 970357049 /nfs/dbraw/zinc/35/70/49/970357049.db2.gz QBPJCBFJCLICGL-OYRHEFFESA-N 2 1 421.585 3.690 20 0 HHADMP O=C(C1CC[NH2+]CC1)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000237839145 970378510 /nfs/dbraw/zinc/37/85/10/970378510.db2.gz QJEAFJXYWNANRQ-UHFFFAOYSA-N 2 1 403.979 3.712 20 0 HHADMP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cc(C(F)(F)F)ccc3F)c2)C1 ZINC000237915362 970392671 /nfs/dbraw/zinc/39/26/71/970392671.db2.gz IGYPNWOIWLFLLS-QGZVFWFLSA-N 2 1 423.454 3.832 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cc(C(F)(F)F)ccc3F)c2)C1 ZINC000237915362 970392677 /nfs/dbraw/zinc/39/26/77/970392677.db2.gz IGYPNWOIWLFLLS-QGZVFWFLSA-N 2 1 423.454 3.832 20 0 HHADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1 ZINC000237913605 970392927 /nfs/dbraw/zinc/39/29/27/970392927.db2.gz HXAFLTVLVQEABC-OAHLLOKOSA-N 2 1 410.345 3.930 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1 ZINC000237913605 970392936 /nfs/dbraw/zinc/39/29/36/970392936.db2.gz HXAFLTVLVQEABC-OAHLLOKOSA-N 2 1 410.345 3.930 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cnc(-c4ccccc4)s3)c2)C1 ZINC000237924468 970395992 /nfs/dbraw/zinc/39/59/92/970395992.db2.gz OCQFFVDEVGBJTL-OAQYLSRUSA-N 2 1 420.582 3.797 20 0 HHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000237977928 970409221 /nfs/dbraw/zinc/40/92/21/970409221.db2.gz YTHVIGBKDLXYTE-OAQYLSRUSA-N 2 1 410.587 3.927 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000150167847 970431902 /nfs/dbraw/zinc/43/19/02/970431902.db2.gz CYYRWSHRMWRAJI-OAQYLSRUSA-N 2 1 400.611 3.710 20 0 HHADMP CC[NH+](CC)Cc1ccc(C(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC000248068601 970505337 /nfs/dbraw/zinc/50/53/37/970505337.db2.gz WUKVKKOSHGYWHY-VWLOTQADSA-N 2 1 422.617 3.637 20 0 HHADMP CC[NH+](CC)Cc1ccc(C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000248068601 970505359 /nfs/dbraw/zinc/50/53/59/970505359.db2.gz WUKVKKOSHGYWHY-VWLOTQADSA-N 2 1 422.617 3.637 20 0 HHADMP CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000409455701 972900996 /nfs/dbraw/zinc/90/09/96/972900996.db2.gz YOOYEFRLTBHZLZ-NFBKMPQASA-N 2 1 409.574 3.973 20 0 HHADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccn(-c4ccc(F)cc4)n3)CC2)C[C@H](C)O1 ZINC000426765327 974643311 /nfs/dbraw/zinc/64/33/11/974643311.db2.gz MOGQXZNGKLSGHF-OALUTQOASA-N 2 1 400.542 3.723 20 0 HHADMP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000426811598 974678212 /nfs/dbraw/zinc/67/82/12/974678212.db2.gz NOKSKLJUHWITHB-SVFBPWRDSA-N 2 1 401.595 3.842 20 0 HHADMP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000426811598 974678215 /nfs/dbraw/zinc/67/82/15/974678215.db2.gz NOKSKLJUHWITHB-SVFBPWRDSA-N 2 1 401.595 3.842 20 0 HHADMP CCOc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426816951 974682826 /nfs/dbraw/zinc/68/28/26/974682826.db2.gz QZYHLBGYQUYCJS-AQNXPRMDSA-N 2 1 417.594 3.624 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000428648649 975949833 /nfs/dbraw/zinc/94/98/33/975949833.db2.gz DBMVBCUPXKYYCY-GGAORHGYSA-N 2 1 400.611 3.851 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000428719978 976008203 /nfs/dbraw/zinc/00/82/03/976008203.db2.gz QKDVGCMEHNUDRS-FYYLOGMGSA-N 2 1 415.622 3.542 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000429068005 976353800 /nfs/dbraw/zinc/35/38/00/976353800.db2.gz BHTAPUNCWHYUDQ-JXALWOEJSA-N 2 1 421.589 3.742 20 0 HHADMP C[C@H](CCNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000429085408 976371929 /nfs/dbraw/zinc/37/19/29/976371929.db2.gz YPKXCZDNYXVALO-RTWAWAEBSA-N 2 1 423.605 3.817 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000429244550 976533198 /nfs/dbraw/zinc/53/31/98/976533198.db2.gz LMLULBPOOGXEMU-QGZVFWFLSA-N 2 1 413.591 3.814 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000429244550 976533212 /nfs/dbraw/zinc/53/32/12/976533212.db2.gz LMLULBPOOGXEMU-QGZVFWFLSA-N 2 1 413.591 3.814 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000429259833 976547550 /nfs/dbraw/zinc/54/75/50/976547550.db2.gz KWCBFRCQXSJBFP-UHFFFAOYSA-N 2 1 412.534 3.838 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000429259833 976547561 /nfs/dbraw/zinc/54/75/61/976547561.db2.gz KWCBFRCQXSJBFP-UHFFFAOYSA-N 2 1 412.534 3.838 20 0 HHADMP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1Cl ZINC000429406994 976683201 /nfs/dbraw/zinc/68/32/01/976683201.db2.gz JHEHYAROWHZYDG-IRFCIJBXSA-N 2 1 418.990 3.744 20 0 HHADMP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1Cl ZINC000429406994 976683205 /nfs/dbraw/zinc/68/32/05/976683205.db2.gz JHEHYAROWHZYDG-IRFCIJBXSA-N 2 1 418.990 3.744 20 0 HHADMP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cc1Cl ZINC000429407000 976683229 /nfs/dbraw/zinc/68/32/29/976683229.db2.gz JHEHYAROWHZYDG-SVFBPWRDSA-N 2 1 418.990 3.744 20 0 HHADMP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc1Cl ZINC000429407000 976683234 /nfs/dbraw/zinc/68/32/34/976683234.db2.gz JHEHYAROWHZYDG-SVFBPWRDSA-N 2 1 418.990 3.744 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429678936 976975375 /nfs/dbraw/zinc/97/53/75/976975375.db2.gz BLPJKEPHOIHEND-UIOOFZCWSA-N 2 1 407.602 3.731 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429678936 976975385 /nfs/dbraw/zinc/97/53/85/976975385.db2.gz BLPJKEPHOIHEND-UIOOFZCWSA-N 2 1 407.602 3.731 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429678936 976975398 /nfs/dbraw/zinc/97/53/98/976975398.db2.gz BLPJKEPHOIHEND-UIOOFZCWSA-N 2 1 407.602 3.731 20 0 HHADMP COc1cccc([C@@H](C)[NH+]2CCN(C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)c1 ZINC000429686971 976979921 /nfs/dbraw/zinc/97/99/21/976979921.db2.gz UMZDWVLTUWXSDW-GJZUVCINSA-N 2 1 423.601 3.665 20 0 HHADMP COc1cccc([C@@H](C)[NH+]2CCN(C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)c1 ZINC000429686971 976979932 /nfs/dbraw/zinc/97/99/32/976979932.db2.gz UMZDWVLTUWXSDW-GJZUVCINSA-N 2 1 423.601 3.665 20 0 HHADMP CC[NH+](CC)CC1CC[NH+](Cc2csc(CNC(=O)c3ccccc3)n2)CC1 ZINC000430042023 977292421 /nfs/dbraw/zinc/29/24/21/977292421.db2.gz XHHKTSBZHXPOOD-UHFFFAOYSA-N 2 1 400.592 3.627 20 0 HHADMP CCO[C@H](CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1=CCCC1 ZINC000430666644 977678536 /nfs/dbraw/zinc/67/85/36/977678536.db2.gz CRHLRFNXZLVRGB-HSZRJFAPSA-N 2 1 405.627 3.547 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000430674283 977685600 /nfs/dbraw/zinc/68/56/00/977685600.db2.gz ALXXJHDLIRTGGP-VXKWHMMOSA-N 2 1 419.560 3.723 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCn1ccc2ccccc21 ZINC000430678109 977688900 /nfs/dbraw/zinc/68/89/00/977688900.db2.gz IARVKVALZDNGFI-UHFFFAOYSA-N 2 1 410.606 3.686 20 0 HHADMP CC[C@@H](Oc1ccccc1F)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430679660 977689872 /nfs/dbraw/zinc/68/98/72/977689872.db2.gz WHBPKRZXYAUENT-JOCHJYFZSA-N 2 1 419.585 3.638 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCCOCc1ccccc1 ZINC000430682074 977691894 /nfs/dbraw/zinc/69/18/94/977691894.db2.gz RVOOQEKFUAJYCV-UHFFFAOYSA-N 2 1 415.622 3.638 20 0 HHADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430933676 977898497 /nfs/dbraw/zinc/89/84/97/977898497.db2.gz LPORFZCTXPTMSM-IBGZPJMESA-N 2 1 411.594 3.926 20 0 HHADMP CCn1c2cccc(F)c2nc1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430944233 977905109 /nfs/dbraw/zinc/90/51/09/977905109.db2.gz LJSZRIJCQHUGGT-UHFFFAOYSA-N 2 1 415.601 3.823 20 0 HHADMP CCOc1ccc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000431079299 978007391 /nfs/dbraw/zinc/00/73/91/978007391.db2.gz IWUDWZKOJBRZJS-UHFFFAOYSA-N 2 1 402.583 3.745 20 0 HHADMP COc1ccc(C)cc1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431082306 978009167 /nfs/dbraw/zinc/00/91/67/978009167.db2.gz UGKPQVZHKDICRE-UHFFFAOYSA-N 2 1 402.583 3.664 20 0 HHADMP Cc1cc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000431098552 978017597 /nfs/dbraw/zinc/01/75/97/978017597.db2.gz GIJDWPCKZSCQQZ-UHFFFAOYSA-N 2 1 424.593 3.587 20 0 HHADMP Cc1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000431150610 978051829 /nfs/dbraw/zinc/05/18/29/978051829.db2.gz GRCPKJSSPAJKRK-CTNGQTDRSA-N 2 1 424.593 3.633 20 0 HHADMP CCC(CC)n1ccc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000431504072 978335318 /nfs/dbraw/zinc/33/53/18/978335318.db2.gz ZFDVUEODYPKELF-UHFFFAOYSA-N 2 1 403.615 3.513 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)CCSc3ccccc3)CC2)CC1 ZINC000431610911 978383530 /nfs/dbraw/zinc/38/35/30/978383530.db2.gz SMKUXCOZEPHMHV-HXUWFJFHSA-N 2 1 403.636 3.824 20 0 HHADMP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)CC1 ZINC000431647851 978406700 /nfs/dbraw/zinc/40/67/00/978406700.db2.gz LSTACJNWAGRXBS-SFHVURJKSA-N 2 1 406.640 3.552 20 0 HHADMP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)CC1 ZINC000431647851 978406705 /nfs/dbraw/zinc/40/67/05/978406705.db2.gz LSTACJNWAGRXBS-SFHVURJKSA-N 2 1 406.640 3.552 20 0 HHADMP CC(C)CC[NH+]1CCC(CNC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000431648364 978407641 /nfs/dbraw/zinc/40/76/41/978407641.db2.gz JMHOSTLDMUUDBH-DEOSSOPVSA-N 2 1 414.638 3.908 20 0 HHADMP C[C@H]1Cc2ccccc2[C@H]1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431660922 978418158 /nfs/dbraw/zinc/41/81/58/978418158.db2.gz ORILVCLEOASTLH-CYFREDJKSA-N 2 1 412.622 3.758 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000431672889 978427070 /nfs/dbraw/zinc/42/70/70/978427070.db2.gz JLLAAEMJMFZAGT-YSZBQJHXSA-N 2 1 412.553 3.781 20 0 HHADMP C[C@@H](CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC000431777257 978505231 /nfs/dbraw/zinc/50/52/31/978505231.db2.gz ALXTVZZNMJUVCA-IBGZPJMESA-N 2 1 418.601 3.767 20 0 HHADMP COc1ccc([C@@H](C)NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000431788224 978513776 /nfs/dbraw/zinc/51/37/76/978513776.db2.gz YESJTVVECGKOIX-LJQANCHMSA-N 2 1 416.610 3.594 20 0 HHADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431968978 978622899 /nfs/dbraw/zinc/62/28/99/978622899.db2.gz CPCAHGDLDOMUOQ-JOCHJYFZSA-N 2 1 410.606 3.701 20 0 HHADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Br)c(Br)c2)CCCO1 ZINC000432347183 978770038 /nfs/dbraw/zinc/77/00/38/978770038.db2.gz OREISKGOHRIYDV-CYBMUJFWSA-N 2 1 420.189 3.802 20 0 HHADMP C[C@H](SCC[N@@H+](C)Cc1ccccc1)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000433018169 979043220 /nfs/dbraw/zinc/04/32/20/979043220.db2.gz FNKPVVHRHMMOJJ-REWPJTCUSA-N 2 1 411.615 3.631 20 0 HHADMP C[C@H](SCC[NH+](C)Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000433018169 979043222 /nfs/dbraw/zinc/04/32/22/979043222.db2.gz FNKPVVHRHMMOJJ-REWPJTCUSA-N 2 1 411.615 3.631 20 0 HHADMP C[C@H](SCC[NH+](C)Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000433018169 979043228 /nfs/dbraw/zinc/04/32/28/979043228.db2.gz FNKPVVHRHMMOJJ-REWPJTCUSA-N 2 1 411.615 3.631 20 0 HHADMP C[C@H](SCC[N@@H+](C)Cc1ccccc1)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000433018167 979043346 /nfs/dbraw/zinc/04/33/46/979043346.db2.gz FNKPVVHRHMMOJJ-NZQKXSOJSA-N 2 1 411.615 3.631 20 0 HHADMP C[C@H](SCC[NH+](C)Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000433018167 979043350 /nfs/dbraw/zinc/04/33/50/979043350.db2.gz FNKPVVHRHMMOJJ-NZQKXSOJSA-N 2 1 411.615 3.631 20 0 HHADMP C[C@H](SCC[NH+](C)Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000433018167 979043355 /nfs/dbraw/zinc/04/33/55/979043355.db2.gz FNKPVVHRHMMOJJ-NZQKXSOJSA-N 2 1 411.615 3.631 20 0 HHADMP COc1ccc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(OC)c1 ZINC000433052359 979052927 /nfs/dbraw/zinc/05/29/27/979052927.db2.gz MADLJLGSUNQTGD-UHFFFAOYSA-N 2 1 423.557 3.630 20 0 HHADMP COc1ccc(NC(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(OC)c1 ZINC000433052359 979052930 /nfs/dbraw/zinc/05/29/30/979052930.db2.gz MADLJLGSUNQTGD-UHFFFAOYSA-N 2 1 423.557 3.630 20 0 HHADMP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1cccc2nsnc21 ZINC000433080886 979062788 /nfs/dbraw/zinc/06/27/88/979062788.db2.gz FBPXIUNYIVUUFF-UHFFFAOYSA-N 2 1 421.570 3.618 20 0 HHADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433112154 979078365 /nfs/dbraw/zinc/07/83/65/979078365.db2.gz HJQRALXXTWLINL-IBGZPJMESA-N 2 1 421.541 3.730 20 0 HHADMP O[C@@H](COc1cccc2[nH]ccc21)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433173161 979117907 /nfs/dbraw/zinc/11/79/07/979117907.db2.gz HFVVIQFGYGRRFV-JOCHJYFZSA-N 2 1 419.569 3.896 20 0 HHADMP O=C1[C@H]([N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCN1c1ccccc1F ZINC000433181577 979124006 /nfs/dbraw/zinc/12/40/06/979124006.db2.gz YRKNDUVRKHFDGY-HSZRJFAPSA-N 2 1 407.533 3.919 20 0 HHADMP O=C1[C@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCN1c1ccccc1F ZINC000433181577 979124011 /nfs/dbraw/zinc/12/40/11/979124011.db2.gz YRKNDUVRKHFDGY-HSZRJFAPSA-N 2 1 407.533 3.919 20 0 HHADMP COc1cc(C[NH+]2CC[C@@]3(C2)CCCOC3)cc(C[N@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000433191407 979131711 /nfs/dbraw/zinc/13/17/11/979131711.db2.gz UYIZDIUVZNGAPL-PLQXJYEYSA-N 2 1 414.590 3.700 20 0 HHADMP COc1cc(C[NH+]2CC[C@]3(C2)CCCOC3)cc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000433191407 979131715 /nfs/dbraw/zinc/13/17/15/979131715.db2.gz UYIZDIUVZNGAPL-PLQXJYEYSA-N 2 1 414.590 3.700 20 0 HHADMP COc1cc(C[NH+]2CC[C@]3(C2)CCCOC3)cc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000433191407 979131719 /nfs/dbraw/zinc/13/17/19/979131719.db2.gz UYIZDIUVZNGAPL-PLQXJYEYSA-N 2 1 414.590 3.700 20 0 HHADMP COc1cc(C[NH+]2CCCCC[C@@H]2CCO)cc(C[N@H+]2CCCCC[C@H]2CCO)c1 ZINC000433205268 979139774 /nfs/dbraw/zinc/13/97/74/979139774.db2.gz KGFNLOCLHFBZKW-PSWAGMNNSA-N 2 1 418.622 3.949 20 0 HHADMP COc1cc(C[NH+]2CCCCC[C@H]2CCO)cc(C[N@@H+]2CCCCC[C@@H]2CCO)c1 ZINC000433205268 979139778 /nfs/dbraw/zinc/13/97/78/979139778.db2.gz KGFNLOCLHFBZKW-PSWAGMNNSA-N 2 1 418.622 3.949 20 0 HHADMP COc1cc(C[NH+]2CCCCC[C@H]2CCO)cc(C[N@H+]2CCCCC[C@@H]2CCO)c1 ZINC000433205268 979139784 /nfs/dbraw/zinc/13/97/84/979139784.db2.gz KGFNLOCLHFBZKW-PSWAGMNNSA-N 2 1 418.622 3.949 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000433239689 979170596 /nfs/dbraw/zinc/17/05/96/979170596.db2.gz IHAIAAAADDDVPO-CWQOZTLDSA-N 2 1 403.533 3.759 20 0 HHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000433239689 979170599 /nfs/dbraw/zinc/17/05/99/979170599.db2.gz IHAIAAAADDDVPO-CWQOZTLDSA-N 2 1 403.533 3.759 20 0 HHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000433239689 979170608 /nfs/dbraw/zinc/17/06/08/979170608.db2.gz IHAIAAAADDDVPO-CWQOZTLDSA-N 2 1 403.533 3.759 20 0 HHADMP C[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1cccc(OCc2ccccc2)c1 ZINC000434782108 980396148 /nfs/dbraw/zinc/39/61/48/980396148.db2.gz FKLFSDYCJKXPKW-HXUWFJFHSA-N 2 1 417.557 3.658 20 0 HHADMP Cc1cc(NC(=O)C[N@@H+](C)Cc2ccccc2)n([C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000435277716 980755192 /nfs/dbraw/zinc/75/51/92/980755192.db2.gz KDSUXCLNCCTZED-HSZRJFAPSA-N 2 1 417.557 3.709 20 0 HHADMP Cc1cc(NC(=O)C[N@H+](C)Cc2ccccc2)n([C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000435277716 980755197 /nfs/dbraw/zinc/75/51/97/980755197.db2.gz KDSUXCLNCCTZED-HSZRJFAPSA-N 2 1 417.557 3.709 20 0 HHADMP Cc1cc(NC(=O)C[NH+](C)Cc2ccccc2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435277716 980755203 /nfs/dbraw/zinc/75/52/03/980755203.db2.gz KDSUXCLNCCTZED-HSZRJFAPSA-N 2 1 417.557 3.709 20 0 HHADMP Cc1cc(NC(=O)C[NH+](C)Cc2ccccc2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435277716 980755206 /nfs/dbraw/zinc/75/52/06/980755206.db2.gz KDSUXCLNCCTZED-HSZRJFAPSA-N 2 1 417.557 3.709 20 0 HHADMP Cc1cc(NC(=O)[C@H](C)[NH+]2CCCCCC2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435284962 980759842 /nfs/dbraw/zinc/75/98/42/980759842.db2.gz MKLURFYXYUEWQZ-RBBKRZOGSA-N 2 1 409.578 3.842 20 0 HHADMP Cc1cc(NC(=O)c2ccc(C[NH+](C)C)cc2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435286733 980760485 /nfs/dbraw/zinc/76/04/85/980760485.db2.gz DLSMPKLBVFSBIK-QHCPKHFHSA-N 2 1 417.557 3.952 20 0 HHADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435633051 980968806 /nfs/dbraw/zinc/96/88/06/980968806.db2.gz ALPGCYBTTVDRSH-HXUWFJFHSA-N 2 1 406.534 3.679 20 0 HHADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000435633051 980968810 /nfs/dbraw/zinc/96/88/10/980968810.db2.gz ALPGCYBTTVDRSH-HXUWFJFHSA-N 2 1 406.534 3.679 20 0 HHADMP CN(c1ccccc1)c1ccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cn1 ZINC000435789922 981032361 /nfs/dbraw/zinc/03/23/61/981032361.db2.gz GZTDDZKQSAKVOV-UHFFFAOYSA-N 2 1 402.542 3.972 20 0 HHADMP CSc1c(F)cccc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000436196630 981244870 /nfs/dbraw/zinc/24/48/70/981244870.db2.gz VYECWDNDHQJMCB-UHFFFAOYSA-N 2 1 407.599 3.816 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)c1 ZINC000436283190 981282871 /nfs/dbraw/zinc/28/28/71/981282871.db2.gz VOSSXSBBQLTSTC-PKTZIBPZSA-N 2 1 407.558 3.773 20 0 HHADMP COc1cc(-c2nc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)cs2)ccc1O ZINC000436760515 981550275 /nfs/dbraw/zinc/55/02/75/981550275.db2.gz CRDRATCRMXCUOD-UHFFFAOYSA-N 2 1 417.575 3.601 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccsc1 ZINC000448218260 981633161 /nfs/dbraw/zinc/63/31/61/981633161.db2.gz UFWQRWWQCNXZIV-DZFGPLHGSA-N 2 1 404.624 3.789 20 0 HHADMP C[C@@H]1CCCN(Cc2csc(NC(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2)C1 ZINC000448235348 981644729 /nfs/dbraw/zinc/64/47/29/981644729.db2.gz WQGQQZNRUWGTQA-UWVAXJGDSA-N 2 1 417.623 3.856 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000437043797 981714328 /nfs/dbraw/zinc/71/43/28/981714328.db2.gz WCSJKJWLPYMDCF-JWQCQUIFSA-N 2 1 405.586 3.879 20 0 HHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000437043797 981714343 /nfs/dbraw/zinc/71/43/43/981714343.db2.gz WCSJKJWLPYMDCF-JWQCQUIFSA-N 2 1 405.586 3.879 20 0 HHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000437043797 981714345 /nfs/dbraw/zinc/71/43/45/981714345.db2.gz WCSJKJWLPYMDCF-JWQCQUIFSA-N 2 1 405.586 3.879 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000448466729 981802009 /nfs/dbraw/zinc/80/20/09/981802009.db2.gz NTKUXFXDHBRYCJ-JTAQYXEDSA-N 2 1 400.611 3.933 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000448466729 981802024 /nfs/dbraw/zinc/80/20/24/981802024.db2.gz NTKUXFXDHBRYCJ-JTAQYXEDSA-N 2 1 400.611 3.933 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000448466729 981802040 /nfs/dbraw/zinc/80/20/40/981802040.db2.gz NTKUXFXDHBRYCJ-JTAQYXEDSA-N 2 1 400.611 3.933 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)[C@@H](C)C1 ZINC000448468169 981805705 /nfs/dbraw/zinc/80/57/05/981805705.db2.gz UMYRMALVNNXQIA-REWPJTCUSA-N 2 1 400.611 3.790 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000448473740 981815466 /nfs/dbraw/zinc/81/54/66/981815466.db2.gz SZEASBLMIRMEOI-XZOQPEGZSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000448473740 981815481 /nfs/dbraw/zinc/81/54/81/981815481.db2.gz SZEASBLMIRMEOI-XZOQPEGZSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000448473740 981815492 /nfs/dbraw/zinc/81/54/92/981815492.db2.gz SZEASBLMIRMEOI-XZOQPEGZSA-N 2 1 400.611 3.660 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000448519551 981847423 /nfs/dbraw/zinc/84/74/23/981847423.db2.gz FCCXMRWXSFLTCV-XTQVGHSUSA-N 2 1 407.562 3.900 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000448519551 981847431 /nfs/dbraw/zinc/84/74/31/981847431.db2.gz FCCXMRWXSFLTCV-XTQVGHSUSA-N 2 1 407.562 3.900 20 0 HHADMP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)[C@H](C)C1 ZINC000448520200 981847978 /nfs/dbraw/zinc/84/79/78/981847978.db2.gz IELUIZUFVLQZIX-XXBNENTESA-N 2 1 412.578 3.783 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)[C@H](C)C1 ZINC000448520200 981847989 /nfs/dbraw/zinc/84/79/89/981847989.db2.gz IELUIZUFVLQZIX-XXBNENTESA-N 2 1 412.578 3.783 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)[C@H](C)C1 ZINC000448520200 981847998 /nfs/dbraw/zinc/84/79/98/981847998.db2.gz IELUIZUFVLQZIX-XXBNENTESA-N 2 1 412.578 3.783 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)[C@H](C)C1 ZINC000448520200 981848002 /nfs/dbraw/zinc/84/80/02/981848002.db2.gz IELUIZUFVLQZIX-XXBNENTESA-N 2 1 412.578 3.783 20 0 HHADMP C[NH+](C)CC[C@H](NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)C(C)(C)C ZINC000460339344 982111066 /nfs/dbraw/zinc/11/10/66/982111066.db2.gz CFXNUNXEOUXDBC-FSSWDIPSSA-N 2 1 400.611 3.516 20 0 HHADMP COc1ccccc1[C@@H](C)NC(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000460363419 982138353 /nfs/dbraw/zinc/13/83/53/982138353.db2.gz OGTZVJKMBJKVBE-MIOZMULLSA-N 2 1 409.574 3.619 20 0 HHADMP COc1ccccc1[C@@H](C)NC(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000460363419 982138360 /nfs/dbraw/zinc/13/83/60/982138360.db2.gz OGTZVJKMBJKVBE-MIOZMULLSA-N 2 1 409.574 3.619 20 0 HHADMP C[N@H+](CCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)Cc1ccccc1 ZINC000438098972 982587140 /nfs/dbraw/zinc/58/71/40/982587140.db2.gz XMBRTXIYYNIKII-UHFFFAOYSA-N 2 1 417.956 3.939 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)Cc1ccccc1 ZINC000438098972 982587150 /nfs/dbraw/zinc/58/71/50/982587150.db2.gz XMBRTXIYYNIKII-UHFFFAOYSA-N 2 1 417.956 3.939 20 0 HHADMP CCOC(=O)Cn1nc(C)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1C ZINC000438103751 982590546 /nfs/dbraw/zinc/59/05/46/982590546.db2.gz ZJGGHMVDXFUMAN-VWLOTQADSA-N 2 1 424.589 3.551 20 0 HHADMP CCOC(=O)Cn1nc(C)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1C ZINC000438103751 982590553 /nfs/dbraw/zinc/59/05/53/982590553.db2.gz ZJGGHMVDXFUMAN-VWLOTQADSA-N 2 1 424.589 3.551 20 0 HHADMP CCOC(=O)Cn1nc(C)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1C ZINC000438103751 982590556 /nfs/dbraw/zinc/59/05/56/982590556.db2.gz ZJGGHMVDXFUMAN-VWLOTQADSA-N 2 1 424.589 3.551 20 0 HHADMP CCOC(=O)Cn1nc(C)c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1C ZINC000438103751 982590562 /nfs/dbraw/zinc/59/05/62/982590562.db2.gz ZJGGHMVDXFUMAN-VWLOTQADSA-N 2 1 424.589 3.551 20 0 HHADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000438348772 982737087 /nfs/dbraw/zinc/73/70/87/982737087.db2.gz YXCYIYFJHSEKDB-QHCPKHFHSA-N 2 1 413.610 3.737 20 0 HHADMP CCC(CC)[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000461073733 982770749 /nfs/dbraw/zinc/77/07/49/982770749.db2.gz HOZFQAKOLRXEIW-NKKJXINNSA-N 2 1 415.622 3.635 20 0 HHADMP CCC(CC)[C@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000461073733 982770754 /nfs/dbraw/zinc/77/07/54/982770754.db2.gz HOZFQAKOLRXEIW-NKKJXINNSA-N 2 1 415.622 3.635 20 0 HHADMP Cc1cc(CNC(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc(N2CCCC2)[nH+]1 ZINC000461209493 982923542 /nfs/dbraw/zinc/92/35/42/982923542.db2.gz AVVQHTNKPPLFCC-XXBNENTESA-N 2 1 409.578 3.789 20 0 HHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000438824138 983097390 /nfs/dbraw/zinc/09/73/90/983097390.db2.gz BEXCUMYLOOATKT-JGYHXSOQSA-N 2 1 421.629 3.902 20 0 HHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2C[C@@H](O)CN2Cc2ccccc2)CC1 ZINC000438833567 983103711 /nfs/dbraw/zinc/10/37/11/983103711.db2.gz XUHBPXZAJVLESD-CVQXOBEKSA-N 2 1 407.602 3.655 20 0 HHADMP Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000438928240 983158903 /nfs/dbraw/zinc/15/89/03/983158903.db2.gz FMIKHVSPCXNRPW-SFTDATJTSA-N 2 1 403.636 3.815 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000439198090 983305640 /nfs/dbraw/zinc/30/56/40/983305640.db2.gz KVBINLKHVNTTBK-UHFFFAOYSA-N 2 1 402.608 3.862 20 0 HHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000439258267 983335061 /nfs/dbraw/zinc/33/50/61/983335061.db2.gz KKQRKAWQPFAJEJ-HSALFYBXSA-N 2 1 404.624 3.789 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000439448461 983414284 /nfs/dbraw/zinc/41/42/84/983414284.db2.gz ZKPHOBPNPUZQJG-TZIWHRDSSA-N 2 1 414.619 3.874 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(=O)NCc1ccccc1F ZINC000439595242 983464914 /nfs/dbraw/zinc/46/49/14/983464914.db2.gz JGFWWQGEBSXVQG-SFHVURJKSA-N 2 1 409.505 3.845 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000439608708 983469931 /nfs/dbraw/zinc/46/99/31/983469931.db2.gz BELKKTBCIZHJNO-QGZVFWFLSA-N 2 1 421.497 3.757 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000439770450 983531983 /nfs/dbraw/zinc/53/19/83/983531983.db2.gz XXSBFKFYSTZDTE-KKSFZXQISA-N 2 1 400.954 3.680 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000439770448 983532080 /nfs/dbraw/zinc/53/20/80/983532080.db2.gz XXSBFKFYSTZDTE-IIBYNOLFSA-N 2 1 400.954 3.680 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)CC1 ZINC000440184280 983674032 /nfs/dbraw/zinc/67/40/32/983674032.db2.gz HBDIIISMKFLCMC-FQEVSTJZSA-N 2 1 415.626 3.761 20 0 HHADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(C(=O)Nc4ccccc4)cc3)CC2)CC1 ZINC000441046624 984042110 /nfs/dbraw/zinc/04/21/10/984042110.db2.gz BHSPRYPCRNZZSI-UHFFFAOYSA-N 2 1 420.601 3.929 20 0 HHADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCc3ccccc3[C@H](c3ccccc3)[C@H]2C)CC1 ZINC000441057623 984047791 /nfs/dbraw/zinc/04/77/91/984047791.db2.gz AHRBZVQMDVVHEG-IBVKSMDESA-N 2 1 405.586 3.666 20 0 HHADMP C[C@@H]1[C@H](c2ccccc2)c2ccccc2CC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441072116 984055723 /nfs/dbraw/zinc/05/57/23/984055723.db2.gz SALUYFFGHPQJSN-NFQMXDRXSA-N 2 1 417.597 3.808 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000441249302 984137295 /nfs/dbraw/zinc/13/72/95/984137295.db2.gz CGOWRYYKJZHGBW-FGCOXFRFSA-N 2 1 423.557 3.991 20 0 HHADMP O=C(CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Br)cc1 ZINC000441400517 984231626 /nfs/dbraw/zinc/23/16/26/984231626.db2.gz GOOYCPBNMYLUOZ-KXBFYZLASA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Br)cc1 ZINC000441400517 984231633 /nfs/dbraw/zinc/23/16/33/984231633.db2.gz GOOYCPBNMYLUOZ-KXBFYZLASA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(Br)cc1 ZINC000441400517 984231637 /nfs/dbraw/zinc/23/16/37/984231637.db2.gz GOOYCPBNMYLUOZ-KXBFYZLASA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(Br)cc1 ZINC000441400517 984231641 /nfs/dbraw/zinc/23/16/41/984231641.db2.gz GOOYCPBNMYLUOZ-KXBFYZLASA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Br)cc1F ZINC000441400480 984231845 /nfs/dbraw/zinc/23/18/45/984231845.db2.gz LJDZWPZAVWQOHJ-LIRRHRJNSA-N 2 1 424.358 3.866 20 0 HHADMP O=C(CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Br)cc1F ZINC000441400480 984231848 /nfs/dbraw/zinc/23/18/48/984231848.db2.gz LJDZWPZAVWQOHJ-LIRRHRJNSA-N 2 1 424.358 3.866 20 0 HHADMP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(Br)cc1F ZINC000441400480 984231856 /nfs/dbraw/zinc/23/18/56/984231856.db2.gz LJDZWPZAVWQOHJ-LIRRHRJNSA-N 2 1 424.358 3.866 20 0 HHADMP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(Br)cc1F ZINC000441400480 984231861 /nfs/dbraw/zinc/23/18/61/984231861.db2.gz LJDZWPZAVWQOHJ-LIRRHRJNSA-N 2 1 424.358 3.866 20 0 HHADMP COc1cc(NC(=O)CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(OC)cc1Cl ZINC000441400846 984232073 /nfs/dbraw/zinc/23/20/73/984232073.db2.gz FFQSLVNKSMKELP-HNAYVOBHSA-N 2 1 421.969 3.635 20 0 HHADMP COc1cc(NC(=O)CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(OC)cc1Cl ZINC000441400846 984232080 /nfs/dbraw/zinc/23/20/80/984232080.db2.gz FFQSLVNKSMKELP-HNAYVOBHSA-N 2 1 421.969 3.635 20 0 HHADMP COc1cc(NC(=O)CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(OC)cc1Cl ZINC000441400846 984232081 /nfs/dbraw/zinc/23/20/81/984232081.db2.gz FFQSLVNKSMKELP-HNAYVOBHSA-N 2 1 421.969 3.635 20 0 HHADMP COc1cc(NC(=O)CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(OC)cc1Cl ZINC000441400846 984232088 /nfs/dbraw/zinc/23/20/88/984232088.db2.gz FFQSLVNKSMKELP-HNAYVOBHSA-N 2 1 421.969 3.635 20 0 HHADMP Cc1cc(CNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc(N2CCCC2)[nH+]1 ZINC000462264440 985253355 /nfs/dbraw/zinc/25/33/55/985253355.db2.gz YCAODJXHLHJXDZ-LEWJYISDSA-N 2 1 413.610 3.786 20 0 HHADMP Cc1cc(CNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc(N2CCCC2)[nH+]1 ZINC000462264440 985253365 /nfs/dbraw/zinc/25/33/65/985253365.db2.gz YCAODJXHLHJXDZ-LEWJYISDSA-N 2 1 413.610 3.786 20 0 HHADMP Cc1cccc2c(NCc3cccc(NC(=O)CC[NH+]4CCOCC4)c3)c(C)c[nH+]c12 ZINC000462499269 985451707 /nfs/dbraw/zinc/45/17/07/985451707.db2.gz GWDXYUOLUMTFSM-UHFFFAOYSA-N 2 1 418.541 3.546 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCc1cncc2ccccc21 ZINC000462774139 985709617 /nfs/dbraw/zinc/70/96/17/985709617.db2.gz NMJBLMRQTCGRHV-UHFFFAOYSA-N 2 1 422.617 3.822 20 0 HHADMP C[C@H](C[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1)CN1CCN(C)CC1 ZINC000462816826 985744090 /nfs/dbraw/zinc/74/40/90/985744090.db2.gz MFZZDIVNYMKROE-RDGATRHJSA-N 2 1 418.645 3.852 20 0 HHADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)COc1ccc(C(F)(F)F)cc1 ZINC000463083809 986041055 /nfs/dbraw/zinc/04/10/55/986041055.db2.gz MDPMXWUXPHDSJY-OAQYLSRUSA-N 2 1 422.491 3.742 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463133608 986100670 /nfs/dbraw/zinc/10/06/70/986100670.db2.gz USTMDCSCQUSHPS-DCEDVJGZSA-N 2 1 411.565 3.842 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000463133608 986100675 /nfs/dbraw/zinc/10/06/75/986100675.db2.gz USTMDCSCQUSHPS-DCEDVJGZSA-N 2 1 411.565 3.842 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463153213 986124391 /nfs/dbraw/zinc/12/43/91/986124391.db2.gz AUJQGDBIDVLFIR-PXDATVDWSA-N 3 1 407.602 3.786 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463153213 986124397 /nfs/dbraw/zinc/12/43/97/986124397.db2.gz AUJQGDBIDVLFIR-PXDATVDWSA-N 3 1 407.602 3.786 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C(=O)CCc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463193630 986165874 /nfs/dbraw/zinc/16/58/74/986165874.db2.gz RZLSULZIIMUBSZ-IEZKXTBUSA-N 2 1 405.586 3.863 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C(=O)CCc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463193630 986165877 /nfs/dbraw/zinc/16/58/77/986165877.db2.gz RZLSULZIIMUBSZ-IEZKXTBUSA-N 2 1 405.586 3.863 20 0 HHADMP COc1cc(CN2CC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)cc(OC)c1 ZINC000463202803 986174530 /nfs/dbraw/zinc/17/45/30/986174530.db2.gz BQSQYWZBALCSJC-ZTCOLXNVSA-N 2 1 423.601 3.921 20 0 HHADMP COc1cc(CN2CC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)cc(OC)c1 ZINC000463202803 986174535 /nfs/dbraw/zinc/17/45/35/986174535.db2.gz BQSQYWZBALCSJC-ZTCOLXNVSA-N 2 1 423.601 3.921 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463235121 986203792 /nfs/dbraw/zinc/20/37/92/986203792.db2.gz GIUKIQRJSHIUIE-LSTHTHJFSA-N 2 1 406.492 3.898 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000463235121 986203803 /nfs/dbraw/zinc/20/38/03/986203803.db2.gz GIUKIQRJSHIUIE-LSTHTHJFSA-N 2 1 406.492 3.898 20 0 HHADMP CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000463244746 986211760 /nfs/dbraw/zinc/21/17/60/986211760.db2.gz QHSFQYLGFQTLDC-RAKUZBCXSA-N 2 1 416.569 3.610 20 0 HHADMP CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000463244746 986211767 /nfs/dbraw/zinc/21/17/67/986211767.db2.gz QHSFQYLGFQTLDC-RAKUZBCXSA-N 2 1 416.569 3.610 20 0 HHADMP O=C([C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1)N1CCCCC1 ZINC000463245346 986213838 /nfs/dbraw/zinc/21/38/38/986213838.db2.gz KPGSALNAALDSGI-OFNKIYASSA-N 2 1 401.570 3.603 20 0 HHADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000463246873 986215212 /nfs/dbraw/zinc/21/52/12/986215212.db2.gz XRDAJOYBKRMABH-HWFKNZEUSA-N 2 1 419.613 3.655 20 0 HHADMP OC[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000463246873 986215221 /nfs/dbraw/zinc/21/52/21/986215221.db2.gz XRDAJOYBKRMABH-HWFKNZEUSA-N 2 1 419.613 3.655 20 0 HHADMP OC[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000463246873 986215235 /nfs/dbraw/zinc/21/52/35/986215235.db2.gz XRDAJOYBKRMABH-HWFKNZEUSA-N 2 1 419.613 3.655 20 0 HHADMP OC[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000463246873 986215245 /nfs/dbraw/zinc/21/52/45/986215245.db2.gz XRDAJOYBKRMABH-HWFKNZEUSA-N 2 1 419.613 3.655 20 0 HHADMP OC[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000463246873 986215257 /nfs/dbraw/zinc/21/52/57/986215257.db2.gz XRDAJOYBKRMABH-HWFKNZEUSA-N 2 1 419.613 3.655 20 0 HHADMP Cc1cc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)on1 ZINC000463276403 986242800 /nfs/dbraw/zinc/24/28/00/986242800.db2.gz YQIDCRPZXSDBQA-QESAQDPVSA-N 2 1 400.542 3.538 20 0 HHADMP Cc1cc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)on1 ZINC000463276403 986242815 /nfs/dbraw/zinc/24/28/15/986242815.db2.gz YQIDCRPZXSDBQA-QESAQDPVSA-N 2 1 400.542 3.538 20 0 HHADMP C[C@@H]1CN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cn2)C[C@@H](C)O1 ZINC000463278875 986246250 /nfs/dbraw/zinc/24/62/50/986246250.db2.gz DNEKXTNSPGJANG-FLRVNOIQSA-N 2 1 420.601 3.980 20 0 HHADMP C[C@@H]1CN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cn2)C[C@@H](C)O1 ZINC000463278875 986246263 /nfs/dbraw/zinc/24/62/63/986246263.db2.gz DNEKXTNSPGJANG-FLRVNOIQSA-N 2 1 420.601 3.980 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000444343690 986523205 /nfs/dbraw/zinc/52/32/05/986523205.db2.gz MTGCGGOPSAFDSW-LJQANCHMSA-N 2 1 417.557 3.989 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000444343690 986523210 /nfs/dbraw/zinc/52/32/10/986523210.db2.gz MTGCGGOPSAFDSW-LJQANCHMSA-N 2 1 417.557 3.989 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H](Oc3ccncc3)C2)C1 ZINC000468862370 986571387 /nfs/dbraw/zinc/57/13/87/986571387.db2.gz HJDVQLORGMMSJM-XXBNENTESA-N 2 1 408.546 3.676 20 0 HHADMP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000468863379 986572289 /nfs/dbraw/zinc/57/22/89/986572289.db2.gz FEKJRAIMNHDMHK-YZLZLFLDSA-N 2 1 405.384 3.780 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000444589660 986776464 /nfs/dbraw/zinc/77/64/64/986776464.db2.gz JWFFAIDEQOCURZ-SFHVURJKSA-N 2 1 409.534 3.917 20 0 HHADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)N2CCc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000444598089 986784906 /nfs/dbraw/zinc/78/49/06/986784906.db2.gz OKKGEZUIGBAZIS-OFVILXPXSA-N 2 1 405.586 3.946 20 0 HHADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)N2CCc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000444598089 986784914 /nfs/dbraw/zinc/78/49/14/986784914.db2.gz OKKGEZUIGBAZIS-OFVILXPXSA-N 2 1 405.586 3.946 20 0 HHADMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)N2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000444598089 986784927 /nfs/dbraw/zinc/78/49/27/986784927.db2.gz OKKGEZUIGBAZIS-OFVILXPXSA-N 2 1 405.586 3.946 20 0 HHADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)N2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000444598089 986784936 /nfs/dbraw/zinc/78/49/36/986784936.db2.gz OKKGEZUIGBAZIS-OFVILXPXSA-N 2 1 405.586 3.946 20 0 HHADMP CC1(C)C[C@@H]([NH2+]CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C(C)(C)O1 ZINC000444642629 986828149 /nfs/dbraw/zinc/82/81/49/986828149.db2.gz ITXWGTJCYXVWLX-RTBURBONSA-N 2 1 407.986 3.529 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000469115386 986831211 /nfs/dbraw/zinc/83/12/11/986831211.db2.gz YTHQXWSJCZCGDE-HLLBOEOZSA-N 2 1 403.477 3.682 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000469115386 986831218 /nfs/dbraw/zinc/83/12/18/986831218.db2.gz YTHQXWSJCZCGDE-HLLBOEOZSA-N 2 1 403.477 3.682 20 0 HHADMP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)CC1(c2ccccc2)CC1 ZINC000444676522 986859469 /nfs/dbraw/zinc/85/94/69/986859469.db2.gz QTJDTLNIVZMMDS-UHFFFAOYSA-N 2 1 409.599 3.838 20 0 HHADMP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)CC1(c2ccccc2)CC1 ZINC000444676522 986859482 /nfs/dbraw/zinc/85/94/82/986859482.db2.gz QTJDTLNIVZMMDS-UHFFFAOYSA-N 2 1 409.599 3.838 20 0 HHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000469433518 987120202 /nfs/dbraw/zinc/12/02/02/987120202.db2.gz FRFYTPJAFJKMMJ-OEMFJLHTSA-N 2 1 412.622 3.801 20 0 HHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000469433518 987120204 /nfs/dbraw/zinc/12/02/04/987120204.db2.gz FRFYTPJAFJKMMJ-OEMFJLHTSA-N 2 1 412.622 3.801 20 0 HHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000469433518 987120207 /nfs/dbraw/zinc/12/02/07/987120207.db2.gz FRFYTPJAFJKMMJ-OEMFJLHTSA-N 2 1 412.622 3.801 20 0 HHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000469433519 987120308 /nfs/dbraw/zinc/12/03/08/987120308.db2.gz FRFYTPJAFJKMMJ-XWGVYQGASA-N 2 1 412.622 3.801 20 0 HHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000469433519 987120311 /nfs/dbraw/zinc/12/03/11/987120311.db2.gz FRFYTPJAFJKMMJ-XWGVYQGASA-N 2 1 412.622 3.801 20 0 HHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000469433519 987120313 /nfs/dbraw/zinc/12/03/13/987120313.db2.gz FRFYTPJAFJKMMJ-XWGVYQGASA-N 2 1 412.622 3.801 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCN1Cc1ccccc1 ZINC000469736519 987386293 /nfs/dbraw/zinc/38/62/93/987386293.db2.gz MESFYNUAMPYQQR-XMMPIXPASA-N 2 1 403.526 3.802 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCN1Cc1ccccc1 ZINC000469736519 987386298 /nfs/dbraw/zinc/38/62/98/987386298.db2.gz MESFYNUAMPYQQR-XMMPIXPASA-N 2 1 403.526 3.802 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N[C@H]1CCCc2ccccc21 ZINC000469756256 987408877 /nfs/dbraw/zinc/40/88/77/987408877.db2.gz GBHBJCHFDFULLM-REHUZNOOSA-N 2 1 405.586 3.926 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(I)cc2)[C@@H](C)C1 ZINC000469761594 987414859 /nfs/dbraw/zinc/41/48/59/987414859.db2.gz AOJCYXCFGXFKNA-MAUKXSAKSA-N 2 1 416.347 3.518 20 0 HHADMP CCCOc1cccc(CNC(=O)C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000469764609 987417071 /nfs/dbraw/zinc/41/70/71/987417071.db2.gz OYNADRMIDWSRCF-ACWUQQCTSA-N 2 1 423.601 3.838 20 0 HHADMP CCCOc1cccc(CNC(=O)C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000469764609 987417075 /nfs/dbraw/zinc/41/70/75/987417075.db2.gz OYNADRMIDWSRCF-ACWUQQCTSA-N 2 1 423.601 3.838 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NC1(c2ccccc2)CCC1 ZINC000469766076 987418813 /nfs/dbraw/zinc/41/88/13/987418813.db2.gz WCPTVYCRAZECNZ-SFTDATJTSA-N 2 1 405.586 3.928 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N2CCC[C@H]2c2cccs2)[C@H](C)C1 ZINC000469784929 987430767 /nfs/dbraw/zinc/43/07/67/987430767.db2.gz DNHNWZJIJYOGLL-ZRNYENFQSA-N 2 1 407.624 3.527 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N2CCC[C@H]2c2cccs2)[C@H](C)C1 ZINC000469784929 987430768 /nfs/dbraw/zinc/43/07/68/987430768.db2.gz DNHNWZJIJYOGLL-ZRNYENFQSA-N 2 1 407.624 3.527 20 0 HHADMP Cc1ccccc1C[C@H](C)NC(=O)CN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000469787780 987433016 /nfs/dbraw/zinc/43/30/16/987433016.db2.gz RERHLOUZDJHFRP-IMIIHFCZSA-N 2 1 407.602 3.788 20 0 HHADMP Cc1ccccc1C[C@H](C)NC(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000469787780 987433022 /nfs/dbraw/zinc/43/30/22/987433022.db2.gz RERHLOUZDJHFRP-IMIIHFCZSA-N 2 1 407.602 3.788 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000469791560 987435752 /nfs/dbraw/zinc/43/57/52/987435752.db2.gz PSDPOYLFPMSDFL-UGNRZPKXSA-N 2 1 410.002 3.632 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000469791560 987435761 /nfs/dbraw/zinc/43/57/61/987435761.db2.gz PSDPOYLFPMSDFL-UGNRZPKXSA-N 2 1 410.002 3.632 20 0 HHADMP COc1cccc(N2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2=O)c1 ZINC000470172000 988087975 /nfs/dbraw/zinc/08/79/75/988087975.db2.gz QYNZQNPKRIYUNQ-RGQCGHIBSA-N 2 1 405.542 3.586 20 0 HHADMP COc1cccc(N2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2=O)c1 ZINC000470172000 988087986 /nfs/dbraw/zinc/08/79/86/988087986.db2.gz QYNZQNPKRIYUNQ-RGQCGHIBSA-N 2 1 405.542 3.586 20 0 HHADMP C[C@@H](C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1cccc(Cl)c1 ZINC000470197918 988118750 /nfs/dbraw/zinc/11/87/50/988118750.db2.gz MBTGIQUAHRISIM-SFHVURJKSA-N 2 1 415.965 3.894 20 0 HHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000470282842 988238414 /nfs/dbraw/zinc/23/84/14/988238414.db2.gz LKCSQHPANUWOLL-DHIUTWEWSA-N 2 1 400.611 3.516 20 0 HHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000470282842 988238420 /nfs/dbraw/zinc/23/84/20/988238420.db2.gz LKCSQHPANUWOLL-DHIUTWEWSA-N 2 1 400.611 3.516 20 0 HHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000470282842 988238426 /nfs/dbraw/zinc/23/84/26/988238426.db2.gz LKCSQHPANUWOLL-DHIUTWEWSA-N 2 1 400.611 3.516 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000470721057 988746633 /nfs/dbraw/zinc/74/66/33/988746633.db2.gz BDWZCJWPTSWYRZ-YADHBBJMSA-N 2 1 412.578 3.969 20 0 HHADMP CN(C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470737995 988773489 /nfs/dbraw/zinc/77/34/89/988773489.db2.gz RSBXVYPWAVAJSW-LEWJYISDSA-N 2 1 400.592 3.657 20 0 HHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000470738474 988775143 /nfs/dbraw/zinc/77/51/43/988775143.db2.gz UQOHPESREWGJKE-SIKLNZKXSA-N 2 1 419.013 3.850 20 0 HHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470738669 988775875 /nfs/dbraw/zinc/77/58/75/988775875.db2.gz XACRDVLMOBIEOE-IRLDBZIGSA-N 2 1 412.622 3.934 20 0 HHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470738669 988775885 /nfs/dbraw/zinc/77/58/85/988775885.db2.gz XACRDVLMOBIEOE-IRLDBZIGSA-N 2 1 412.622 3.934 20 0 HHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470738669 988775888 /nfs/dbraw/zinc/77/58/88/988775888.db2.gz XACRDVLMOBIEOE-IRLDBZIGSA-N 2 1 412.622 3.934 20 0 HHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000470752811 988794538 /nfs/dbraw/zinc/79/45/38/988794538.db2.gz BOMRCQRQXCTCRW-YKSBVNFPSA-N 2 1 412.622 3.934 20 0 HHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000470752811 988794555 /nfs/dbraw/zinc/79/45/55/988794555.db2.gz BOMRCQRQXCTCRW-YKSBVNFPSA-N 2 1 412.622 3.934 20 0 HHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000470752811 988794564 /nfs/dbraw/zinc/79/45/64/988794564.db2.gz BOMRCQRQXCTCRW-YKSBVNFPSA-N 2 1 412.622 3.934 20 0 HHADMP CC1CC[NH+]([C@@H](CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c2cccs2)CC1 ZINC000470753555 988795817 /nfs/dbraw/zinc/79/58/17/988795817.db2.gz FHYVVMZHKKIDFX-SFTDATJTSA-N 2 1 418.651 3.894 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N(C)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)[nH+]1 ZINC000470882245 988953473 /nfs/dbraw/zinc/95/34/73/988953473.db2.gz DBYBMXMUJGLEBS-HSZRJFAPSA-N 2 1 421.589 3.665 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N(C)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)[nH+]1 ZINC000470882245 988953480 /nfs/dbraw/zinc/95/34/80/988953480.db2.gz DBYBMXMUJGLEBS-HSZRJFAPSA-N 2 1 421.589 3.665 20 0 HHADMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000470889735 988962229 /nfs/dbraw/zinc/96/22/29/988962229.db2.gz RKFTUJNFWUKAHZ-IRLDBZIGSA-N 2 1 419.013 3.822 20 0 HHADMP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000470889735 988962239 /nfs/dbraw/zinc/96/22/39/988962239.db2.gz RKFTUJNFWUKAHZ-IRLDBZIGSA-N 2 1 419.013 3.822 20 0 HHADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000471042251 989119215 /nfs/dbraw/zinc/11/92/15/989119215.db2.gz HKSHJKGDZVEAOV-ZBFHGGJFSA-N 2 1 419.791 3.506 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000471042251 989119223 /nfs/dbraw/zinc/11/92/23/989119223.db2.gz HKSHJKGDZVEAOV-ZBFHGGJFSA-N 2 1 419.791 3.506 20 0 HHADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000471042251 989119228 /nfs/dbraw/zinc/11/92/28/989119228.db2.gz HKSHJKGDZVEAOV-ZBFHGGJFSA-N 2 1 419.791 3.506 20 0 HHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000471042251 989119233 /nfs/dbraw/zinc/11/92/33/989119233.db2.gz HKSHJKGDZVEAOV-ZBFHGGJFSA-N 2 1 419.791 3.506 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000464960085 989259645 /nfs/dbraw/zinc/25/96/45/989259645.db2.gz JICWHISOBTWRNB-NRFANRHFSA-N 2 1 400.611 3.840 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[NH+](CC(C)C)C1 ZINC000465076692 989396224 /nfs/dbraw/zinc/39/62/24/989396224.db2.gz FDYMLEIDPASGIC-DHIUTWEWSA-N 2 1 400.611 3.518 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000465076692 989396233 /nfs/dbraw/zinc/39/62/33/989396233.db2.gz FDYMLEIDPASGIC-DHIUTWEWSA-N 2 1 400.611 3.518 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000465076692 989396240 /nfs/dbraw/zinc/39/62/40/989396240.db2.gz FDYMLEIDPASGIC-DHIUTWEWSA-N 2 1 400.611 3.518 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC000471273254 989423250 /nfs/dbraw/zinc/42/32/50/989423250.db2.gz OAMIRDZYIDOFTD-LGVFNWMJSA-N 2 1 421.585 3.548 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC000471273254 989423254 /nfs/dbraw/zinc/42/32/54/989423254.db2.gz OAMIRDZYIDOFTD-LGVFNWMJSA-N 2 1 421.585 3.548 20 0 HHADMP C[C@H](c1ccc(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000471288033 989445483 /nfs/dbraw/zinc/44/54/83/989445483.db2.gz PSJWTMRCQBWMDA-IRLDBZIGSA-N 2 1 422.573 3.723 20 0 HHADMP C[C@H](c1ccc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000471288033 989445486 /nfs/dbraw/zinc/44/54/86/989445486.db2.gz PSJWTMRCQBWMDA-IRLDBZIGSA-N 2 1 422.573 3.723 20 0 HHADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000471296943 989457705 /nfs/dbraw/zinc/45/77/05/989457705.db2.gz IPMVNTXRPUDXAV-LADGPHEKSA-N 2 1 409.549 3.819 20 0 HHADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000471296943 989457707 /nfs/dbraw/zinc/45/77/07/989457707.db2.gz IPMVNTXRPUDXAV-LADGPHEKSA-N 2 1 409.549 3.819 20 0 HHADMP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000471296943 989457711 /nfs/dbraw/zinc/45/77/11/989457711.db2.gz IPMVNTXRPUDXAV-LADGPHEKSA-N 2 1 409.549 3.819 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000471296943 989457715 /nfs/dbraw/zinc/45/77/15/989457715.db2.gz IPMVNTXRPUDXAV-LADGPHEKSA-N 2 1 409.549 3.819 20 0 HHADMP CC1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000471298701 989460507 /nfs/dbraw/zinc/46/05/07/989460507.db2.gz SNWMGLVIIQYDMG-DEOSSOPVSA-N 2 1 405.586 3.927 20 0 HHADMP COc1ccc([C@@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)[NH+]2CCCCC2)cc1 ZINC000465414481 989761372 /nfs/dbraw/zinc/76/13/72/989761372.db2.gz UAAXPWBGJFOSFQ-JTHBVZDNSA-N 2 1 416.610 3.738 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000465421954 989767030 /nfs/dbraw/zinc/76/70/30/989767030.db2.gz MILHNWSQFZYIBN-UHFFFAOYSA-N 2 1 412.578 3.975 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000465421954 989767035 /nfs/dbraw/zinc/76/70/35/989767035.db2.gz MILHNWSQFZYIBN-UHFFFAOYSA-N 2 1 412.578 3.975 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000465423899 989768059 /nfs/dbraw/zinc/76/80/59/989768059.db2.gz AWYCHIVIWOFIEN-NZQKXSOJSA-N 2 1 412.553 3.592 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000465425254 989769826 /nfs/dbraw/zinc/76/98/26/989769826.db2.gz BETLSWHVHASNNA-WOJBJXKFSA-N 2 1 406.640 3.894 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000465437834 989783394 /nfs/dbraw/zinc/78/33/94/989783394.db2.gz HNAATCGNIXEMLS-NOZRDPDXSA-N 2 1 420.601 3.987 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000465457587 989797404 /nfs/dbraw/zinc/79/74/04/989797404.db2.gz XCYXDKICLUCPHI-ISKFKSNPSA-N 2 1 408.590 3.843 20 0 HHADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000471598051 989800624 /nfs/dbraw/zinc/80/06/24/989800624.db2.gz SZEPUGURMUREMV-DEOSSOPVSA-N 2 1 408.590 3.850 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000471609464 989814418 /nfs/dbraw/zinc/81/44/18/989814418.db2.gz JFUMJSZGDXVIIV-IPJUCJBFSA-N 2 1 418.548 3.603 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000465594675 989975198 /nfs/dbraw/zinc/97/51/98/989975198.db2.gz ILVQMJHWRDPQDZ-FPOVZHCZSA-N 2 1 404.599 3.592 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000465598374 989978682 /nfs/dbraw/zinc/97/86/82/989978682.db2.gz MQRRYENEWYBMCJ-XMMPIXPASA-N 2 1 408.590 3.672 20 0 HHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000465598374 989978686 /nfs/dbraw/zinc/97/86/86/989978686.db2.gz MQRRYENEWYBMCJ-XMMPIXPASA-N 2 1 408.590 3.672 20 0 HHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000465598374 989978691 /nfs/dbraw/zinc/97/86/91/989978691.db2.gz MQRRYENEWYBMCJ-XMMPIXPASA-N 2 1 408.590 3.672 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(F)cc1 ZINC000465696987 990083260 /nfs/dbraw/zinc/08/32/60/990083260.db2.gz UGINMDCKIVNZCT-FBBABVLZSA-N 2 1 418.582 3.872 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000465698838 990085231 /nfs/dbraw/zinc/08/52/31/990085231.db2.gz WPSXTPPYMVWVAQ-OAQYLSRUSA-N 2 1 400.611 3.803 20 0 HHADMP CC1CC[NH+]([C@@H](CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c2ccccc2)CC1 ZINC000465711159 990096551 /nfs/dbraw/zinc/09/65/51/990096551.db2.gz GQLACGJOHPVKSC-PKTZIBPZSA-N 2 1 400.611 3.975 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465745794 990130869 /nfs/dbraw/zinc/13/08/69/990130869.db2.gz GHGLDOSEIMVZPB-GZGNHOFSSA-N 2 1 420.601 3.985 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465745794 990130873 /nfs/dbraw/zinc/13/08/73/990130873.db2.gz GHGLDOSEIMVZPB-GZGNHOFSSA-N 2 1 420.601 3.985 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465745794 990130879 /nfs/dbraw/zinc/13/08/79/990130879.db2.gz GHGLDOSEIMVZPB-GZGNHOFSSA-N 2 1 420.601 3.985 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000472074972 990235148 /nfs/dbraw/zinc/23/51/48/990235148.db2.gz PWUUJNGIEVTUOR-IEZKXTBUSA-N 2 1 420.601 3.861 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000472074972 990235152 /nfs/dbraw/zinc/23/51/52/990235152.db2.gz PWUUJNGIEVTUOR-IEZKXTBUSA-N 2 1 420.601 3.861 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000472074972 990235160 /nfs/dbraw/zinc/23/51/60/990235160.db2.gz PWUUJNGIEVTUOR-IEZKXTBUSA-N 2 1 420.601 3.861 20 0 HHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465858559 990969873 /nfs/dbraw/zinc/96/98/73/990969873.db2.gz AOPPIDGMEUOAQS-XZOQPEGZSA-N 2 1 400.611 3.805 20 0 HHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000465858559 990969879 /nfs/dbraw/zinc/96/98/79/990969879.db2.gz AOPPIDGMEUOAQS-XZOQPEGZSA-N 2 1 400.611 3.805 20 0 HHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000465858559 990969887 /nfs/dbraw/zinc/96/98/87/990969887.db2.gz AOPPIDGMEUOAQS-XZOQPEGZSA-N 2 1 400.611 3.805 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000465932752 991068165 /nfs/dbraw/zinc/06/81/65/991068165.db2.gz RNOJVBBXVPYHMA-LOSJGSFVSA-N 2 1 420.601 3.815 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000465932752 991068175 /nfs/dbraw/zinc/06/81/75/991068175.db2.gz RNOJVBBXVPYHMA-LOSJGSFVSA-N 2 1 420.601 3.815 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000465932752 991068182 /nfs/dbraw/zinc/06/81/82/991068182.db2.gz RNOJVBBXVPYHMA-LOSJGSFVSA-N 2 1 420.601 3.815 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N3CC[C@@H](C)[N@@H+](Cc4ccccc4)CC3)CC2)[nH+]1 ZINC000465994864 991159168 /nfs/dbraw/zinc/15/91/68/991159168.db2.gz BCHVYWNZBXZJDK-OAQYLSRUSA-N 2 1 421.589 3.665 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N3CC[C@@H](C)[N@H+](Cc4ccccc4)CC3)CC2)[nH+]1 ZINC000465994864 991159174 /nfs/dbraw/zinc/15/91/74/991159174.db2.gz BCHVYWNZBXZJDK-OAQYLSRUSA-N 2 1 421.589 3.665 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000466019699 991188030 /nfs/dbraw/zinc/18/80/30/991188030.db2.gz TYEUIYLJNVRUMX-JOCHJYFZSA-N 2 1 410.562 3.681 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000466019699 991188035 /nfs/dbraw/zinc/18/80/35/991188035.db2.gz TYEUIYLJNVRUMX-JOCHJYFZSA-N 2 1 410.562 3.681 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000466024066 991192856 /nfs/dbraw/zinc/19/28/56/991192856.db2.gz VSAOYYKZQLVLQO-OAQYLSRUSA-N 2 1 412.553 3.551 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@H]1c1cccs1 ZINC000466078798 991253571 /nfs/dbraw/zinc/25/35/71/991253571.db2.gz OEQGDPXMERSYIM-NQIIRXRSSA-N 2 1 404.624 3.791 20 0 HHADMP C[NH+]1CCC[C@@H](CNC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)[C@@H]1c1cccs1 ZINC000466079658 991255546 /nfs/dbraw/zinc/25/55/46/991255546.db2.gz PJFDWVHBZZTDRG-TUNNFDKTSA-N 2 1 412.603 3.829 20 0 HHADMP C[NH+]1CCC[C@@H](CNC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)[C@@H]1c1cccs1 ZINC000466079658 991255559 /nfs/dbraw/zinc/25/55/59/991255559.db2.gz PJFDWVHBZZTDRG-TUNNFDKTSA-N 2 1 412.603 3.829 20 0 HHADMP C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)[C@@H](c2ccccc2)C1 ZINC000466079658 991255570 /nfs/dbraw/zinc/25/55/70/991255570.db2.gz PJFDWVHBZZTDRG-TUNNFDKTSA-N 2 1 412.603 3.829 20 0 HHADMP C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[C@@H](c2ccccc2)C1 ZINC000466079658 991255580 /nfs/dbraw/zinc/25/55/80/991255580.db2.gz PJFDWVHBZZTDRG-TUNNFDKTSA-N 2 1 412.603 3.829 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000466101827 991280707 /nfs/dbraw/zinc/28/07/07/991280707.db2.gz QKOQKGNCIMHUIM-NZQKXSOJSA-N 2 1 400.611 3.803 20 0 HHADMP C[N@H+]1CCC[C@@H](CNC(=O)N2CCC[NH+](C3CCCC3)CC2)[C@@H]1c1cccs1 ZINC000466107342 991284497 /nfs/dbraw/zinc/28/44/97/991284497.db2.gz URUHQIRRRIBFAU-GHTZIAJQSA-N 2 1 404.624 3.791 20 0 HHADMP C[NH+]1CCC[C@@H](CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)[C@@H]1c1cccs1 ZINC000466107342 991284504 /nfs/dbraw/zinc/28/45/04/991284504.db2.gz URUHQIRRRIBFAU-GHTZIAJQSA-N 2 1 404.624 3.791 20 0 HHADMP C[NH+]1CCC[C@@H](CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)[C@@H]1c1cccs1 ZINC000466107342 991284511 /nfs/dbraw/zinc/28/45/11/991284511.db2.gz URUHQIRRRIBFAU-GHTZIAJQSA-N 2 1 404.624 3.791 20 0 HHADMP C[C@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000466437290 991726086 /nfs/dbraw/zinc/72/60/86/991726086.db2.gz AEWVOCQNRBJSFX-RDPSFJRHSA-N 2 1 406.574 3.745 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000466525166 991821127 /nfs/dbraw/zinc/82/11/27/991821127.db2.gz GIJQWQRWPMPMAT-ZJSXRUAMSA-N 2 1 420.601 3.955 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCc1cccc2cc[nH]c21 ZINC000466884782 992205821 /nfs/dbraw/zinc/20/58/21/992205821.db2.gz NQVHJSNMPLQMNR-UHFFFAOYSA-N 2 1 411.594 3.506 20 0 HHADMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000467158884 992477326 /nfs/dbraw/zinc/47/73/26/992477326.db2.gz FBUNAOAQCLGCGH-UHFFFAOYSA-N 2 1 402.366 3.755 20 0 HHADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000467354621 992672628 /nfs/dbraw/zinc/67/26/28/992672628.db2.gz NDBXOQVHSAPDSM-SGNDLWITSA-N 2 1 420.601 3.903 20 0 HHADMP C[NH+](C)Cc1ccc(NC2CC[NH+](Cc3ccncc3)CC2)cc1Br ZINC000467386406 992701035 /nfs/dbraw/zinc/70/10/35/992701035.db2.gz WEYZNLFQXWPKKN-UHFFFAOYSA-N 2 1 403.368 3.982 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)c2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)C[N@H+]1Cc1ccccc1 ZINC000467691246 992947547 /nfs/dbraw/zinc/94/75/47/992947547.db2.gz ANTOFPLSJBYRIB-NAZDKBRTSA-N 2 1 421.585 3.689 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000467691246 992947563 /nfs/dbraw/zinc/94/75/63/992947563.db2.gz ANTOFPLSJBYRIB-NAZDKBRTSA-N 2 1 421.585 3.689 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)C[N@H+]1Cc1ccccc1 ZINC000467691246 992947575 /nfs/dbraw/zinc/94/75/75/992947575.db2.gz ANTOFPLSJBYRIB-NAZDKBRTSA-N 2 1 421.585 3.689 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C[NH+]1Cc1ccccc1 ZINC000467691246 992947598 /nfs/dbraw/zinc/94/75/98/992947598.db2.gz ANTOFPLSJBYRIB-NAZDKBRTSA-N 2 1 421.585 3.689 20 0 HHADMP CN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000467776144 993015978 /nfs/dbraw/zinc/01/59/78/993015978.db2.gz KHIHTRMWQHKJGK-VWLOTQADSA-N 2 1 420.601 3.957 20 0 HHADMP CCN(CCC[NH+]1CCCC1)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000472096248 993146655 /nfs/dbraw/zinc/14/66/55/993146655.db2.gz RTJUNYYHNSJEAM-NRFANRHFSA-N 2 1 400.611 3.936 20 0 HHADMP CN(C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000472291958 993307405 /nfs/dbraw/zinc/30/74/05/993307405.db2.gz ALZQSSXIVSPJRX-RPBOFIJWSA-N 2 1 420.601 3.815 20 0 HHADMP CN(C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000472291958 993307410 /nfs/dbraw/zinc/30/74/10/993307410.db2.gz ALZQSSXIVSPJRX-RPBOFIJWSA-N 2 1 420.601 3.815 20 0 HHADMP CN(C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000472291958 993307419 /nfs/dbraw/zinc/30/74/19/993307419.db2.gz ALZQSSXIVSPJRX-RPBOFIJWSA-N 2 1 420.601 3.815 20 0 HHADMP C[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2C[NH+]2CCSCC2)[C@@H]1c1ccccc1 ZINC000472301770 993314654 /nfs/dbraw/zinc/31/46/54/993314654.db2.gz AVGPXHQQJBMEIE-VXKWHMMOSA-N 2 1 410.587 3.802 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)Nc2ccccc2C[NH+]2CCSCC2)[C@@H]1c1ccccc1 ZINC000472301770 993314661 /nfs/dbraw/zinc/31/46/61/993314661.db2.gz AVGPXHQQJBMEIE-VXKWHMMOSA-N 2 1 410.587 3.802 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2c2cccn2C)CC1 ZINC000472354716 993354881 /nfs/dbraw/zinc/35/48/81/993354881.db2.gz IZACGMDIMRKLTO-DEOSSOPVSA-N 2 1 408.590 3.641 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2c2cccn2C)CC1 ZINC000472354716 993354891 /nfs/dbraw/zinc/35/48/91/993354891.db2.gz IZACGMDIMRKLTO-DEOSSOPVSA-N 2 1 408.590 3.641 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)[C@H](C)C1 ZINC000480721562 993589602 /nfs/dbraw/zinc/58/96/02/993589602.db2.gz NDZCNEWTAJVFTC-HMFYCAOWSA-N 2 1 402.583 3.758 20 0 HHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccc4c(c3)C(C)(C)C(=O)N4)cc2)CC1 ZINC000480733672 993599631 /nfs/dbraw/zinc/59/96/31/993599631.db2.gz BHBWCJGVFPSFFW-IBGZPJMESA-N 2 1 420.601 3.905 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480740842 993607822 /nfs/dbraw/zinc/60/78/22/993607822.db2.gz QIICOEVYXFXFLT-NYVOZVTQSA-N 2 1 419.635 3.965 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480740842 993607825 /nfs/dbraw/zinc/60/78/25/993607825.db2.gz QIICOEVYXFXFLT-NYVOZVTQSA-N 2 1 419.635 3.965 20 0 HHADMP Ic1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCCO2 ZINC000480743912 993610668 /nfs/dbraw/zinc/61/06/68/993610668.db2.gz IYKYLOLOZMENND-BFYDXBDKSA-N 2 1 412.315 3.721 20 0 HHADMP Ic1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCCO2 ZINC000480743912 993610673 /nfs/dbraw/zinc/61/06/73/993610673.db2.gz IYKYLOLOZMENND-BFYDXBDKSA-N 2 1 412.315 3.721 20 0 HHADMP C[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[N@H+]1C ZINC000480781102 993648513 /nfs/dbraw/zinc/64/85/13/993648513.db2.gz SPUBOKNTBMTCLB-ICSRJNTNSA-N 3 1 412.544 3.680 20 0 HHADMP C[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CCN1C ZINC000480781102 993648521 /nfs/dbraw/zinc/64/85/21/993648521.db2.gz SPUBOKNTBMTCLB-ICSRJNTNSA-N 2 1 412.544 3.680 20 0 HHADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000472754758 993691366 /nfs/dbraw/zinc/69/13/66/993691366.db2.gz WEJDCLAQGPVVIZ-OAQYLSRUSA-N 2 1 423.605 3.779 20 0 HHADMP CCOc1ccc([C@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)cc1 ZINC000480878421 993743527 /nfs/dbraw/zinc/74/35/27/993743527.db2.gz FQIWSQIKZWAARJ-IBGZPJMESA-N 2 1 411.546 3.597 20 0 HHADMP Cc1cc([C@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)cc(C)c1F ZINC000480888212 993749175 /nfs/dbraw/zinc/74/91/75/993749175.db2.gz XGGGKVXBQHZNSK-IBGZPJMESA-N 2 1 413.537 3.954 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000480899067 993756352 /nfs/dbraw/zinc/75/63/52/993756352.db2.gz OATUCSAHWHOJST-LJQANCHMSA-N 2 1 421.589 3.569 20 0 HHADMP C[C@H](CCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[N@@H+](C)Cc1ccccc1 ZINC000472994614 993924128 /nfs/dbraw/zinc/92/41/28/993924128.db2.gz QGGKCDSHLPXXGS-GOSISDBHSA-N 2 1 400.542 3.597 20 0 HHADMP COc1ccc(Cl)cc1NC(=O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481175821 994005751 /nfs/dbraw/zinc/00/57/51/994005751.db2.gz NBCYFZXPZMHGHD-QFBILLFUSA-N 2 1 401.938 3.787 20 0 HHADMP Cc1ccc(NC(=O)NC(=O)[C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000481190829 994022980 /nfs/dbraw/zinc/02/29/80/994022980.db2.gz PEZBVRNTGICDIR-SXWKCWPCSA-N 2 1 422.573 3.840 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000481198586 994032663 /nfs/dbraw/zinc/03/26/63/994032663.db2.gz OIJNYVVUMWBPCD-AUSIDOKSSA-N 2 1 416.569 3.553 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000481198586 994032668 /nfs/dbraw/zinc/03/26/68/994032668.db2.gz OIJNYVVUMWBPCD-AUSIDOKSSA-N 2 1 416.569 3.553 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000481209753 994042840 /nfs/dbraw/zinc/04/28/40/994042840.db2.gz PGLWTNSVYRICDX-DCEDVJGZSA-N 2 1 411.565 3.699 20 0 HHADMP C[C@@H](C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000473278559 994127199 /nfs/dbraw/zinc/12/71/99/994127199.db2.gz QTOGWYZLCGDAMS-FQEVSTJZSA-N 2 1 420.601 3.850 20 0 HHADMP C[C@@H](C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000473278559 994127203 /nfs/dbraw/zinc/12/72/03/994127203.db2.gz QTOGWYZLCGDAMS-FQEVSTJZSA-N 2 1 420.601 3.850 20 0 HHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C3CCC4(CC3)c3ccccc3NC4=O)c2)CCO1 ZINC000481554213 994387561 /nfs/dbraw/zinc/38/75/61/994387561.db2.gz ALODBGGWVFPGDH-XMCZHJCFSA-N 2 1 419.569 3.830 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CCC4(CC3)c3ccccc3NC4=O)c2)CCO1 ZINC000481554213 994387572 /nfs/dbraw/zinc/38/75/72/994387572.db2.gz ALODBGGWVFPGDH-XMCZHJCFSA-N 2 1 419.569 3.830 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000481582650 994423356 /nfs/dbraw/zinc/42/33/56/994423356.db2.gz OPVNFSZLSWTPPX-ZPZUNKDASA-N 2 1 421.585 3.596 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000481582650 994423363 /nfs/dbraw/zinc/42/33/63/994423363.db2.gz OPVNFSZLSWTPPX-ZPZUNKDASA-N 2 1 421.585 3.596 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000481743684 994598369 /nfs/dbraw/zinc/59/83/69/994598369.db2.gz QIOXYLRJNAPKML-HXUWFJFHSA-N 2 1 403.570 3.703 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000481743684 994598381 /nfs/dbraw/zinc/59/83/81/994598381.db2.gz QIOXYLRJNAPKML-HXUWFJFHSA-N 2 1 403.570 3.703 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)c2)CC1 ZINC000473828546 994758807 /nfs/dbraw/zinc/75/88/07/994758807.db2.gz JVXCWSSRDGSJRE-UHFFFAOYSA-N 2 1 421.589 3.568 20 0 HHADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481915201 994786721 /nfs/dbraw/zinc/78/67/21/994786721.db2.gz LMQSJINTAFCPMI-APWZRJJASA-N 2 1 416.031 3.801 20 0 HHADMP CCN(C(=O)NC1CC[NH+](CC(C)C)CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473875476 994819555 /nfs/dbraw/zinc/81/95/55/994819555.db2.gz NQMMYUMBTFMZGI-REWPJTCUSA-N 2 1 400.611 3.974 20 0 HHADMP COc1c(Br)cccc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000482003195 994905303 /nfs/dbraw/zinc/90/53/03/994905303.db2.gz DBCKOIWRPRLYCY-IYBDPMFKSA-N 2 1 411.384 3.779 20 0 HHADMP COc1c(Br)cccc1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000482003195 994905314 /nfs/dbraw/zinc/90/53/14/994905314.db2.gz DBCKOIWRPRLYCY-IYBDPMFKSA-N 2 1 411.384 3.779 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000474325427 995308111 /nfs/dbraw/zinc/30/81/11/995308111.db2.gz UCFQKWHBTXAZAG-DEOSSOPVSA-N 2 1 409.549 3.961 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474325427 995308120 /nfs/dbraw/zinc/30/81/20/995308120.db2.gz UCFQKWHBTXAZAG-DEOSSOPVSA-N 2 1 409.549 3.961 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)c(C)c2)CC1 ZINC000474345766 995326056 /nfs/dbraw/zinc/32/60/56/995326056.db2.gz OIJSMGCJUAONLX-DEOSSOPVSA-N 2 1 424.564 3.879 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)c(C)c2)CC1 ZINC000474345766 995326064 /nfs/dbraw/zinc/32/60/64/995326064.db2.gz OIJSMGCJUAONLX-DEOSSOPVSA-N 2 1 424.564 3.879 20 0 HHADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000482349713 995328347 /nfs/dbraw/zinc/32/83/47/995328347.db2.gz IAHTUYXYRWWKBG-SFHVURJKSA-N 2 1 412.441 3.849 20 0 HHADMP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000474519656 995483365 /nfs/dbraw/zinc/48/33/65/995483365.db2.gz RGKDHYMOVKRMHX-NPHXMPSESA-N 2 1 400.611 3.659 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000474549338 995515393 /nfs/dbraw/zinc/51/53/93/995515393.db2.gz BOFQCLRYNXOSTD-DEOSSOPVSA-N 2 1 409.549 3.879 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000474549338 995515403 /nfs/dbraw/zinc/51/54/03/995515403.db2.gz BOFQCLRYNXOSTD-DEOSSOPVSA-N 2 1 409.549 3.879 20 0 HHADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000482533637 995541765 /nfs/dbraw/zinc/54/17/65/995541765.db2.gz IDWKCQWPJJSDCD-CQSZACIVSA-N 2 1 407.452 3.568 20 0 HHADMP Cc1ccccc1COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000482554796 995561942 /nfs/dbraw/zinc/56/19/42/995561942.db2.gz QFSHAOINOKVZDY-RBBKRZOGSA-N 2 1 409.574 3.812 20 0 HHADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000474608783 995563829 /nfs/dbraw/zinc/56/38/29/995563829.db2.gz YJOHCFHFIHTJKV-GMAHTHKFSA-N 2 1 401.570 3.905 20 0 HHADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000474608783 995563833 /nfs/dbraw/zinc/56/38/33/995563833.db2.gz YJOHCFHFIHTJKV-GMAHTHKFSA-N 2 1 401.570 3.905 20 0 HHADMP O=C([C@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000474608784 995563849 /nfs/dbraw/zinc/56/38/49/995563849.db2.gz YJOHCFHFIHTJKV-JTHBVZDNSA-N 2 1 401.570 3.905 20 0 HHADMP O=C([C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000474608784 995563856 /nfs/dbraw/zinc/56/38/56/995563856.db2.gz YJOHCFHFIHTJKV-JTHBVZDNSA-N 2 1 401.570 3.905 20 0 HHADMP Clc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c(-n2cncn2)c1 ZINC000474630258 995578236 /nfs/dbraw/zinc/57/82/36/995578236.db2.gz FWCQAQWISMAEED-MRXNPFEDSA-N 2 1 401.967 3.984 20 0 HHADMP Clc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(-n2cncn2)c1 ZINC000474630258 995578246 /nfs/dbraw/zinc/57/82/46/995578246.db2.gz FWCQAQWISMAEED-MRXNPFEDSA-N 2 1 401.967 3.984 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482609194 995606695 /nfs/dbraw/zinc/60/66/95/995606695.db2.gz QXUOBIVBWHXDQZ-XZOQPEGZSA-N 2 1 409.578 3.668 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482609194 995606699 /nfs/dbraw/zinc/60/66/99/995606699.db2.gz QXUOBIVBWHXDQZ-XZOQPEGZSA-N 2 1 409.578 3.668 20 0 HHADMP CCc1nc2c(s1)[C@H]([NH2+]Cc1cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c1)CCC2 ZINC000482621721 995617263 /nfs/dbraw/zinc/61/72/63/995617263.db2.gz UCCFEAIFZKDBPU-RBUKOAKNSA-N 2 1 412.603 3.570 20 0 HHADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c1)CCC2 ZINC000482631658 995625771 /nfs/dbraw/zinc/62/57/71/995625771.db2.gz OEJPZPVRRUNVIU-ZJSXRUAMSA-N 2 1 407.558 3.560 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1OC(F)F ZINC000482653339 995647106 /nfs/dbraw/zinc/64/71/06/995647106.db2.gz WZTUWKKUECYLQR-APWZRJJASA-N 2 1 417.500 3.836 20 0 HHADMP CN(C(=O)Nc1ccccc1CN1CCSCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474741537 995674280 /nfs/dbraw/zinc/67/42/80/995674280.db2.gz XPSLAFQAPQVMLO-JOCHJYFZSA-N 2 1 424.614 3.974 20 0 HHADMP CN(C(=O)Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474741537 995674293 /nfs/dbraw/zinc/67/42/93/995674293.db2.gz XPSLAFQAPQVMLO-JOCHJYFZSA-N 2 1 424.614 3.974 20 0 HHADMP COc1cc([C@@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc(OC)c1OC ZINC000482860739 995797941 /nfs/dbraw/zinc/79/79/41/995797941.db2.gz VFBAGCXTYAGCBP-MRXNPFEDSA-N 2 1 417.550 3.880 20 0 HHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000482877970 995811328 /nfs/dbraw/zinc/81/13/28/995811328.db2.gz SJVVFQIFTSWOGH-KRWDZBQOSA-N 2 1 414.377 3.739 20 0 HHADMP COc1ccccc1-c1ccc([C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000482886354 995817710 /nfs/dbraw/zinc/81/77/10/995817710.db2.gz JDDXMSDYCVLQEP-LJQANCHMSA-N 2 1 409.574 3.956 20 0 HHADMP CN(C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475012583 995869252 /nfs/dbraw/zinc/86/92/52/995869252.db2.gz IYIILISDXQUODU-BJKOFHAPSA-N 2 1 406.574 3.739 20 0 HHADMP CC1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000475050303 995891504 /nfs/dbraw/zinc/89/15/04/995891504.db2.gz VARZNOKRQIAYDB-RXVVDRJESA-N 2 1 411.512 3.936 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1F ZINC000475110762 995929124 /nfs/dbraw/zinc/92/91/24/995929124.db2.gz ALQSBMWOLPLDKH-UHFFFAOYSA-N 2 1 413.541 3.916 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000475138048 995946758 /nfs/dbraw/zinc/94/67/58/995946758.db2.gz LXUGNLGEDSHZDB-VWLOTQADSA-N 2 1 420.601 3.875 20 0 HHADMP CC1(C)CC(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC(C)(C)[NH2+]1 ZINC000475142928 995950723 /nfs/dbraw/zinc/95/07/23/995950723.db2.gz YPPFLKZVAOHJMO-RUZDIDTESA-N 2 1 412.622 3.993 20 0 HHADMP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000475147743 995953575 /nfs/dbraw/zinc/95/35/75/995953575.db2.gz HRLHPPIWSKJKAU-AREMUKBSSA-N 2 1 420.601 3.946 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccccc1 ZINC000475158705 995959861 /nfs/dbraw/zinc/95/98/61/995959861.db2.gz ZPZPNRWMNBDVFQ-MOPGFXCFSA-N 2 1 411.443 3.828 20 0 HHADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000483133342 995994341 /nfs/dbraw/zinc/99/43/41/995994341.db2.gz HSJNFYRIZKMHSC-MSOLQXFVSA-N 2 1 401.576 3.934 20 0 HHADMP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000483216474 996042639 /nfs/dbraw/zinc/04/26/39/996042639.db2.gz AQHXDVVSNNLZIE-UHFFFAOYSA-N 2 1 402.498 3.665 20 0 HHADMP Cc1cc(-c2noc(C[NH+]3CCC(C[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)n2)ccc1F ZINC000483267540 996071521 /nfs/dbraw/zinc/07/15/21/996071521.db2.gz MJTBPUGUFJLANZ-IRXDYDNUSA-N 2 1 402.514 3.505 20 0 HHADMP O=C(CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)Nc1ccc2c(c1)OCO2 ZINC000483462852 996196362 /nfs/dbraw/zinc/19/63/62/996196362.db2.gz BALXCVUHDGDPNC-RBBKRZOGSA-N 2 1 421.541 3.730 20 0 HHADMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)Nc1ccc2c(c1)OCO2 ZINC000483462852 996196365 /nfs/dbraw/zinc/19/63/65/996196365.db2.gz BALXCVUHDGDPNC-RBBKRZOGSA-N 2 1 421.541 3.730 20 0 HHADMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)Nc1ccc2c(c1)OCO2 ZINC000483462852 996196369 /nfs/dbraw/zinc/19/63/69/996196369.db2.gz BALXCVUHDGDPNC-RBBKRZOGSA-N 2 1 421.541 3.730 20 0 HHADMP C[N@H+]1CCC[C@@H]2CN(CC(=O)N(CCc3ccccc3)Cc3ccccc3)CC[C@@H]21 ZINC000483470820 996201139 /nfs/dbraw/zinc/20/11/39/996201139.db2.gz HEQWYXXKXMWSMR-RPBOFIJWSA-N 2 1 405.586 3.674 20 0 HHADMP COc1ccccc1COC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483495441 996217451 /nfs/dbraw/zinc/21/74/51/996217451.db2.gz YNRPORWQHNFHGY-CAOCKLPOSA-N 2 1 424.585 3.559 20 0 HHADMP COc1ccccc1COC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483495441 996217453 /nfs/dbraw/zinc/21/74/53/996217453.db2.gz YNRPORWQHNFHGY-CAOCKLPOSA-N 2 1 424.585 3.559 20 0 HHADMP COc1ccccc1COC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483495441 996217460 /nfs/dbraw/zinc/21/74/60/996217460.db2.gz YNRPORWQHNFHGY-CAOCKLPOSA-N 2 1 424.585 3.559 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000483614288 996286661 /nfs/dbraw/zinc/28/66/61/996286661.db2.gz IUFWGMQTRGSCCK-JTHBVZDNSA-N 2 1 400.611 3.805 20 0 HHADMP O[C@@H](COCc1ccccc1F)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475727014 996326470 /nfs/dbraw/zinc/32/64/70/996326470.db2.gz BRIGFQAPHRIBGC-ILBGXUMGSA-N 2 1 412.549 3.691 20 0 HHADMP O[C@@H](COCc1ccccc1F)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475727014 996326476 /nfs/dbraw/zinc/32/64/76/996326476.db2.gz BRIGFQAPHRIBGC-ILBGXUMGSA-N 2 1 412.549 3.691 20 0 HHADMP O[C@@H](COCc1ccccc1F)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475727014 996326483 /nfs/dbraw/zinc/32/64/83/996326483.db2.gz BRIGFQAPHRIBGC-ILBGXUMGSA-N 2 1 412.549 3.691 20 0 HHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000483739470 996359050 /nfs/dbraw/zinc/35/90/50/996359050.db2.gz GOIDKBQYBXNQCP-YRISNDGFSA-N 2 1 421.632 3.732 20 0 HHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000483739470 996359053 /nfs/dbraw/zinc/35/90/53/996359053.db2.gz GOIDKBQYBXNQCP-YRISNDGFSA-N 2 1 421.632 3.732 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCOc3ccc(I)cc32)CC[N@@H+]1C ZINC000483748920 996363732 /nfs/dbraw/zinc/36/37/32/996363732.db2.gz RTGPVXQXPNWFAE-INWMFGNUSA-N 2 1 400.304 3.577 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCOc3ccc(I)cc32)CC[N@H+]1C ZINC000483748920 996363735 /nfs/dbraw/zinc/36/37/35/996363735.db2.gz RTGPVXQXPNWFAE-INWMFGNUSA-N 2 1 400.304 3.577 20 0 HHADMP C[NH+](CCNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)Cc1ccc(F)cc1 ZINC000483755452 996367657 /nfs/dbraw/zinc/36/76/57/996367657.db2.gz JCPRYPQDDQHJDV-LJQANCHMSA-N 2 1 418.582 3.530 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccc(Br)cc2)[C@H](C)C1 ZINC000483834888 996417139 /nfs/dbraw/zinc/41/71/39/996417139.db2.gz KWJNCKUAQHBDOD-UWVAXJGDSA-N 2 1 413.400 3.943 20 0 HHADMP C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000483887253 996449631 /nfs/dbraw/zinc/44/96/31/996449631.db2.gz RKFPZFAEIJUXIM-BVSLBCMMSA-N 2 1 410.562 3.626 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000484062924 996549595 /nfs/dbraw/zinc/54/95/95/996549595.db2.gz DPBFGVAQRIKMQG-UHFFFAOYSA-N 2 1 424.593 3.532 20 0 HHADMP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000476063258 996575551 /nfs/dbraw/zinc/57/55/51/996575551.db2.gz QBPKUQURRDQRLM-HSZRJFAPSA-N 2 1 412.622 3.633 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000484491977 996814782 /nfs/dbraw/zinc/81/47/82/996814782.db2.gz SSZWCEDIZQFOOB-IBGZPJMESA-N 2 1 419.635 3.919 20 0 HHADMP COc1cc(CN2CC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)C2)cc(OC)c1 ZINC000484617505 996950602 /nfs/dbraw/zinc/95/06/02/996950602.db2.gz IKPNTVYBIWGUQI-AMZDPNTKSA-N 2 1 423.601 3.778 20 0 HHADMP COc1cc(CN2CC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)C2)cc(OC)c1 ZINC000484617505 996950613 /nfs/dbraw/zinc/95/06/13/996950613.db2.gz IKPNTVYBIWGUQI-AMZDPNTKSA-N 2 1 423.601 3.778 20 0 HHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000476876009 997453764 /nfs/dbraw/zinc/45/37/64/997453764.db2.gz CDKFWIURRGUCAN-UHFFFAOYSA-N 2 1 412.578 3.929 20 0 HHADMP COc1ccc(NC(=O)CN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c(OC)c1 ZINC000476991660 997618574 /nfs/dbraw/zinc/61/85/74/997618574.db2.gz ZBJLRBIHSXKHMR-GOSISDBHSA-N 2 1 403.567 3.619 20 0 HHADMP C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476995399 997624190 /nfs/dbraw/zinc/62/41/90/997624190.db2.gz NLDXILJEKIETCO-RBUKOAKNSA-N 2 1 403.636 3.998 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)NCc3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)CC2)c1 ZINC000485289662 997689062 /nfs/dbraw/zinc/68/90/62/997689062.db2.gz IGFYVIGGLAECLB-OAQYLSRUSA-N 2 1 421.589 3.654 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)NCc3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)CC2)c1 ZINC000485289662 997689070 /nfs/dbraw/zinc/68/90/70/997689070.db2.gz IGFYVIGGLAECLB-OAQYLSRUSA-N 2 1 421.589 3.654 20 0 HHADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H](c3cccc(Cl)c3)[NH+]3CCCC3)CC[C@H]21 ZINC000485309386 997718809 /nfs/dbraw/zinc/71/88/09/997718809.db2.gz QLUILISEMYLTTC-NRSPTQNISA-N 2 1 404.986 3.603 20 0 HHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000485397057 997826510 /nfs/dbraw/zinc/82/65/10/997826510.db2.gz QOGMAKAGWABNOU-HBMCJLEFSA-N 2 1 400.611 3.648 20 0 HHADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000485397057 997826522 /nfs/dbraw/zinc/82/65/22/997826522.db2.gz QOGMAKAGWABNOU-HBMCJLEFSA-N 2 1 400.611 3.648 20 0 HHADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000485397057 997826536 /nfs/dbraw/zinc/82/65/36/997826536.db2.gz QOGMAKAGWABNOU-HBMCJLEFSA-N 2 1 400.611 3.648 20 0 HHADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000485397059 997826678 /nfs/dbraw/zinc/82/66/78/997826678.db2.gz QOGMAKAGWABNOU-QHAWAJNXSA-N 2 1 400.611 3.648 20 0 HHADMP CC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000485397059 997826690 /nfs/dbraw/zinc/82/66/90/997826690.db2.gz QOGMAKAGWABNOU-QHAWAJNXSA-N 2 1 400.611 3.648 20 0 HHADMP CC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000485397059 997826700 /nfs/dbraw/zinc/82/67/00/997826700.db2.gz QOGMAKAGWABNOU-QHAWAJNXSA-N 2 1 400.611 3.648 20 0 HHADMP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c2cccs2)CC1 ZINC000485465665 997910943 /nfs/dbraw/zinc/91/09/43/997910943.db2.gz OGNVOYMDTLXLJE-XUVXKRRUSA-N 2 1 404.624 3.647 20 0 HHADMP Cc1nccn1C[C@H](C)CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000485501789 997957065 /nfs/dbraw/zinc/95/70/65/997957065.db2.gz XKRYYCSDXMLTJL-PTUXOGIPSA-N 2 1 409.578 3.524 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485501789 997957086 /nfs/dbraw/zinc/95/70/86/997957086.db2.gz XKRYYCSDXMLTJL-PTUXOGIPSA-N 2 1 409.578 3.524 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000485501789 997957099 /nfs/dbraw/zinc/95/70/99/997957099.db2.gz XKRYYCSDXMLTJL-PTUXOGIPSA-N 2 1 409.578 3.524 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000477293619 997979706 /nfs/dbraw/zinc/97/97/06/997979706.db2.gz APYYFXVWXZFQAR-CWAQXLGLSA-N 2 1 412.622 3.945 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000478008591 998710843 /nfs/dbraw/zinc/71/08/43/998710843.db2.gz DDALUVRRDWJFSE-DEOSSOPVSA-N 2 1 412.622 3.993 20 0 HHADMP C[NH+](C)Cc1ccc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)cc1Cl ZINC000478044465 998732297 /nfs/dbraw/zinc/73/22/97/998732297.db2.gz VGJRJYWDCSZATQ-UHFFFAOYSA-N 2 1 415.965 3.858 20 0 HHADMP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000478053711 998738586 /nfs/dbraw/zinc/73/85/86/998738586.db2.gz MWUCHVKDKNYIFM-QZTJIDSGSA-N 2 1 401.551 3.719 20 0 HHADMP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000478053711 998738589 /nfs/dbraw/zinc/73/85/89/998738589.db2.gz MWUCHVKDKNYIFM-QZTJIDSGSA-N 2 1 401.551 3.719 20 0 HHADMP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000478053711 998738592 /nfs/dbraw/zinc/73/85/92/998738592.db2.gz MWUCHVKDKNYIFM-QZTJIDSGSA-N 2 1 401.551 3.719 20 0 HHADMP C[C@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486472024 998784626 /nfs/dbraw/zinc/78/46/26/998784626.db2.gz AWUBACZJTXLBEW-REWPJTCUSA-N 2 1 412.622 3.851 20 0 HHADMP C[C@@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486472023 998784688 /nfs/dbraw/zinc/78/46/88/998784688.db2.gz AWUBACZJTXLBEW-OFNKIYASSA-N 2 1 412.622 3.851 20 0 HHADMP Cc1nc(COc2ccc(C[NH2+][C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)no1 ZINC000486567138 998830448 /nfs/dbraw/zinc/83/04/48/998830448.db2.gz PBFAVNPNZAIKAQ-PGRDOPGGSA-N 2 1 406.530 3.957 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N[C@@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)[nH+]1 ZINC000487129317 999075985 /nfs/dbraw/zinc/07/59/85/999075985.db2.gz QJKAUOQIQWRGLO-UNMCSNQZSA-N 2 1 421.589 3.569 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N[C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)[nH+]1 ZINC000487129317 999075991 /nfs/dbraw/zinc/07/59/91/999075991.db2.gz QJKAUOQIQWRGLO-UNMCSNQZSA-N 2 1 421.589 3.569 20 0 HHADMP C[C@H](NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487213250 999098817 /nfs/dbraw/zinc/09/88/17/999098817.db2.gz VJVGXOXWSLVHNR-AVCGJXAMSA-N 2 1 412.553 3.638 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000487520374 999206528 /nfs/dbraw/zinc/20/65/28/999206528.db2.gz PJSOZOGSPLTCBL-BWKNWUBXSA-N 2 1 420.601 3.861 20 0 HHADMP CC(C)(CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000479073365 999280923 /nfs/dbraw/zinc/28/09/23/999280923.db2.gz XUFUTZMPOHJVQL-DHIUTWEWSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000479276994 999360854 /nfs/dbraw/zinc/36/08/54/999360854.db2.gz CBMOHFFPQRTOFF-NQSCKRDGSA-N 2 1 417.391 3.853 20 0 HHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000479276994 999360857 /nfs/dbraw/zinc/36/08/57/999360857.db2.gz CBMOHFFPQRTOFF-NQSCKRDGSA-N 2 1 417.391 3.853 20 0 HHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000479284484 999364874 /nfs/dbraw/zinc/36/48/74/999364874.db2.gz OKGGCYBCTUBRHU-UTKZUKDTSA-N 2 1 403.364 3.607 20 0 HHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000479284484 999364875 /nfs/dbraw/zinc/36/48/75/999364875.db2.gz OKGGCYBCTUBRHU-UTKZUKDTSA-N 2 1 403.364 3.607 20 0 HHADMP COc1cc2c(cc1OC)[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)CC2 ZINC000479335907 999391318 /nfs/dbraw/zinc/39/13/18/999391318.db2.gz MYJSKKXDVGPXLT-GOTSBHOMSA-N 2 1 409.574 3.660 20 0 HHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCc4nn(-c5ccccc5)cc43)cc2)CC1 ZINC000479341951 999394632 /nfs/dbraw/zinc/39/46/32/999394632.db2.gz HEDBMWKJBXVHMA-VWLOTQADSA-N 2 1 415.585 3.787 20 0 HHADMP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cncc(OCc4ccccc4)c3)CC2)CC1 ZINC000488156786 999396414 /nfs/dbraw/zinc/39/64/14/999396414.db2.gz LUZMATYLPNUBLZ-UHFFFAOYSA-N 2 1 408.590 3.651 20 0 HHADMP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)NCc1ccc(COc2ccccc2)cc1 ZINC000488345468 999450389 /nfs/dbraw/zinc/45/03/89/999450389.db2.gz OGBNCXUDGBLXFS-UHFFFAOYSA-N 2 1 421.585 3.690 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000488506564 999511541 /nfs/dbraw/zinc/51/15/41/999511541.db2.gz ZJVHZMYRNNVDKJ-OFVILXPXSA-N 2 1 405.586 3.925 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000488527803 999518564 /nfs/dbraw/zinc/51/85/64/999518564.db2.gz DUTHNFSOQCZBQT-RDPSFJRHSA-N 2 1 408.590 3.848 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000488527803 999518565 /nfs/dbraw/zinc/51/85/65/999518565.db2.gz DUTHNFSOQCZBQT-RDPSFJRHSA-N 2 1 408.590 3.848 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000488527803 999518571 /nfs/dbraw/zinc/51/85/71/999518571.db2.gz DUTHNFSOQCZBQT-RDPSFJRHSA-N 2 1 408.590 3.848 20 0 HHADMP C[C@@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488551364 999524964 /nfs/dbraw/zinc/52/49/64/999524964.db2.gz UIBJQZKSMLKXNA-PXDATVDWSA-N 2 1 420.601 3.992 20 0 HHADMP CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@H]3CC[N@H+]([C@H](C)c4ccccc4)C3)cc2)CC1 ZINC000488666276 999564355 /nfs/dbraw/zinc/56/43/55/999564355.db2.gz FKFNWZJMONFZBH-QPPBQGQZSA-N 2 1 420.601 3.782 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)NC[C@@]3(C)CCC[N@@H+]3Cc3ccccc3)CC2)[nH+]c1 ZINC000488910755 999644613 /nfs/dbraw/zinc/64/46/13/999644613.db2.gz FBQCFSDUYLLACH-RUZDIDTESA-N 2 1 421.589 3.713 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)NC[C@@]3(C)CCC[N@H+]3Cc3ccccc3)CC2)[nH+]c1 ZINC000488910755 999644614 /nfs/dbraw/zinc/64/46/14/999644614.db2.gz FBQCFSDUYLLACH-RUZDIDTESA-N 2 1 421.589 3.713 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)[NH+]2CCCC2)o1 ZINC000489140516 999710355 /nfs/dbraw/zinc/71/03/55/999710355.db2.gz PODMZCDOARQAQW-VJBMBRPKSA-N 2 1 424.589 3.935 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)N(C)CCC[N@@H+](C)Cc2ccco2)[NH+]2CCCC2)cc1 ZINC000489279277 999735873 /nfs/dbraw/zinc/73/58/73/999735873.db2.gz UOUPZAXUXZJPER-HSZRJFAPSA-N 2 1 412.578 3.888 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000489290220 999738320 /nfs/dbraw/zinc/73/83/20/999738320.db2.gz AZPCMBUNJHDSAJ-SXSPYAJSSA-N 2 1 412.553 3.638 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)[NH+](C)C)cc1 ZINC000489400161 999759357 /nfs/dbraw/zinc/75/93/57/999759357.db2.gz JNFCOBFDGSOLCC-QDSKXPNFSA-N 2 1 408.590 3.808 20 0 HHADMP COc1ccccc1[C@H]1CC[N@@H+](CCOCC[NH+]2CC[C@@H](c3ccccc3OC)C2)C1 ZINC000489421080 999763835 /nfs/dbraw/zinc/76/38/35/999763835.db2.gz GLNVUQXGGQBAHA-SZPZYZBQSA-N 2 1 424.585 3.999 20 0 HHADMP COc1ccccc1[C@H]1CC[NH+](CCOCC[N@@H+]2CC[C@@H](c3ccccc3OC)C2)C1 ZINC000489421080 999763838 /nfs/dbraw/zinc/76/38/38/999763838.db2.gz GLNVUQXGGQBAHA-SZPZYZBQSA-N 2 1 424.585 3.999 20 0 HHADMP COc1ccccc1[C@H]1CC[NH+](CCOCC[N@H+]2CC[C@@H](c3ccccc3OC)C2)C1 ZINC000489421080 999763842 /nfs/dbraw/zinc/76/38/42/999763842.db2.gz GLNVUQXGGQBAHA-SZPZYZBQSA-N 2 1 424.585 3.999 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000489441930 999768120 /nfs/dbraw/zinc/76/81/20/999768120.db2.gz UHHNSNJAHWYPCW-DHLKQENFSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000489441930 999768122 /nfs/dbraw/zinc/76/81/22/999768122.db2.gz UHHNSNJAHWYPCW-DHLKQENFSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000489441930 999768123 /nfs/dbraw/zinc/76/81/23/999768123.db2.gz UHHNSNJAHWYPCW-DHLKQENFSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000489444498 999768910 /nfs/dbraw/zinc/76/89/10/999768910.db2.gz XXVWJKIAQYDEGM-YSZBQJHXSA-N 2 1 412.553 3.638 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC000489543442 999788705 /nfs/dbraw/zinc/78/87/05/999788705.db2.gz GXGDHXYLPJPRNE-ZJSXRUAMSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N(CC[N@H+](C)Cc2ccccc2)Cc2ccccc2)CC[NH+]1C ZINC000489543442 999788708 /nfs/dbraw/zinc/78/87/08/999788708.db2.gz GXGDHXYLPJPRNE-ZJSXRUAMSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N(CC[N@@H+](C)Cc2ccccc2)Cc2ccccc2)CC[NH+]1C ZINC000489543442 999788712 /nfs/dbraw/zinc/78/87/12/999788712.db2.gz GXGDHXYLPJPRNE-ZJSXRUAMSA-N 2 1 408.590 3.813 20 0 HHADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cccc(OC)c1 ZINC000480397739 999789459 /nfs/dbraw/zinc/78/94/59/999789459.db2.gz RMNAGJHSXALLRE-NIJXNBFTSA-N 2 1 410.606 3.973 20 0 HHADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cccc(OC)c1 ZINC000480397739 999789462 /nfs/dbraw/zinc/78/94/62/999789462.db2.gz RMNAGJHSXALLRE-NIJXNBFTSA-N 2 1 410.606 3.973 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)cc2)C[C@@H](C)O1 ZINC000480522156 999817767 /nfs/dbraw/zinc/81/77/67/999817767.db2.gz CJWCQVMUGOQRDX-TXTKFYIRSA-N 2 1 413.606 3.567 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000489829800 999845418 /nfs/dbraw/zinc/84/54/18/999845418.db2.gz JNTYSJVFDCNEQG-JTHBVZDNSA-N 2 1 400.611 3.708 20 0 HHADMP CC(C)COc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000480632347 999845964 /nfs/dbraw/zinc/84/59/64/999845964.db2.gz UNNMLAMKURPRFD-FQEVSTJZSA-N 2 1 409.574 3.960 20 0 HHADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1 ZINC000480635526 999846919 /nfs/dbraw/zinc/84/69/19/999846919.db2.gz ATHFDSCCNDPMAU-MOPGFXCFSA-N 2 1 415.603 3.820 20 0 HHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000480693681 999861221 /nfs/dbraw/zinc/86/12/21/999861221.db2.gz MUSVZGUJUYAFKQ-IBGZPJMESA-N 2 1 424.589 3.642 20 0 HHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)CC1 ZINC000480695218 999861440 /nfs/dbraw/zinc/86/14/40/999861440.db2.gz QUIWPUMJFSCVDZ-JOCHJYFZSA-N 2 1 417.601 3.920 20 0 HHADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1ccccc1 ZINC000490056901 999886423 /nfs/dbraw/zinc/88/64/23/999886423.db2.gz IGKONGGIVSTFRS-GMAHTHKFSA-N 2 1 407.558 3.784 20 0 HHADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1ccccc1 ZINC000490056899 999886490 /nfs/dbraw/zinc/88/64/90/999886490.db2.gz IGKONGGIVSTFRS-GGAORHGYSA-N 2 1 407.558 3.784 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)CC1 ZINC000490070106 999888564 /nfs/dbraw/zinc/88/85/64/999888564.db2.gz WGOLNLLPDPTDPR-VWLOTQADSA-N 2 1 420.601 3.652 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](Nc3ccccc3)C2)CC1 ZINC000490070106 999888567 /nfs/dbraw/zinc/88/85/67/999888567.db2.gz WGOLNLLPDPTDPR-VWLOTQADSA-N 2 1 420.601 3.652 20 0 HHADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490993364 1000031580 /nfs/dbraw/zinc/03/15/80/1000031580.db2.gz GJFDWGJYCFBTSE-BWKNWUBXSA-N 2 1 420.601 3.640 20 0 HHADMP C[NH+]1CCC(CC[NH2+][C@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)CC1 ZINC000491007954 1000033514 /nfs/dbraw/zinc/03/35/14/1000033514.db2.gz OXWFLWOYDIREHV-JOCHJYFZSA-N 2 1 422.541 3.779 20 0 HHADMP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000491073952 1000042457 /nfs/dbraw/zinc/04/24/57/1000042457.db2.gz GOBVFJHDOGFOQC-IBGZPJMESA-N 2 1 408.546 3.567 20 0 HHADMP CCN(C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000491336718 1000066420 /nfs/dbraw/zinc/06/64/20/1000066420.db2.gz WSDNWTAUVJVFJW-SIKLNZKXSA-N 2 1 424.593 3.839 20 0 HHADMP CCN(C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000491336717 1000066523 /nfs/dbraw/zinc/06/65/23/1000066523.db2.gz WSDNWTAUVJVFJW-KNQAVFIVSA-N 2 1 424.593 3.839 20 0 HHADMP C[C@@H]1[C@H](NC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000492426256 1000126586 /nfs/dbraw/zinc/12/65/86/1000126586.db2.gz UZDOIIVCVZGAHK-NQHRYMMQSA-N 2 1 420.601 3.513 20 0 HHADMP C[C@@H]1[C@H](NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000492426256 1000126588 /nfs/dbraw/zinc/12/65/88/1000126588.db2.gz UZDOIIVCVZGAHK-NQHRYMMQSA-N 2 1 420.601 3.513 20 0 HHADMP C[C@@H]1[C@H](NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000492426256 1000126590 /nfs/dbraw/zinc/12/65/90/1000126590.db2.gz UZDOIIVCVZGAHK-NQHRYMMQSA-N 2 1 420.601 3.513 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@H]2CCc3ccccc3OC2)c1)C1CCOCC1 ZINC000493823945 1000196064 /nfs/dbraw/zinc/19/60/64/1000196064.db2.gz SDFSSELVOKXNLY-QFIPXVFZSA-N 2 1 410.558 3.660 20 0 HHADMP COC[C@@H](NCc1cccc(OCCN2CCOCC2)c1)c1ccc(Cl)cc1 ZINC000493897416 1000204312 /nfs/dbraw/zinc/20/43/12/1000204312.db2.gz NYISCZCDDKNOAH-JOCHJYFZSA-N 2 1 404.938 3.528 20 0 HHADMP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000494189772 1000351788 /nfs/dbraw/zinc/35/17/88/1000351788.db2.gz UTTOQVBJZUAWMX-ROUUACIJSA-N 2 1 401.776 3.960 20 0 HHADMP C[N@@H+]1CCN(C(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)[C@H](c2ccccc2)C1 ZINC000504785353 1000368903 /nfs/dbraw/zinc/36/89/03/1000368903.db2.gz JBPNEPPIAANBKC-QHCPKHFHSA-N 2 1 406.574 3.522 20 0 HHADMP C[N@H+]1CCN(C(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)[C@H](c2ccccc2)C1 ZINC000504785353 1000368911 /nfs/dbraw/zinc/36/89/11/1000368911.db2.gz JBPNEPPIAANBKC-QHCPKHFHSA-N 2 1 406.574 3.522 20 0 HHADMP C[NH+]1CCN(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)[C@H](c2ccccc2)C1 ZINC000504785353 1000368918 /nfs/dbraw/zinc/36/89/18/1000368918.db2.gz JBPNEPPIAANBKC-QHCPKHFHSA-N 2 1 406.574 3.522 20 0 HHADMP C[NH+]1CCN(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)[C@H](c2ccccc2)C1 ZINC000504785353 1000368926 /nfs/dbraw/zinc/36/89/26/1000368926.db2.gz JBPNEPPIAANBKC-QHCPKHFHSA-N 2 1 406.574 3.522 20 0 HHADMP C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000504915565 1000446170 /nfs/dbraw/zinc/44/61/70/1000446170.db2.gz URKYKKBCLUOBSL-NRFANRHFSA-N 2 1 410.562 3.550 20 0 HHADMP CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)[C@@H](C)c1cccc(O)c1 ZINC000494541923 1000546026 /nfs/dbraw/zinc/54/60/26/1000546026.db2.gz IGLKWSUBFURPJE-NRFANRHFSA-N 2 1 409.574 3.818 20 0 HHADMP CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)[C@@H](C)c1cccc(O)c1 ZINC000494541923 1000546031 /nfs/dbraw/zinc/54/60/31/1000546031.db2.gz IGLKWSUBFURPJE-NRFANRHFSA-N 2 1 409.574 3.818 20 0 HHADMP CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)[C@@H](C)c1cccc(O)c1 ZINC000494541923 1000546035 /nfs/dbraw/zinc/54/60/35/1000546035.db2.gz IGLKWSUBFURPJE-NRFANRHFSA-N 2 1 409.574 3.818 20 0 HHADMP CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)[C@@H](C)c1cccc(O)c1 ZINC000494541923 1000546039 /nfs/dbraw/zinc/54/60/39/1000546039.db2.gz IGLKWSUBFURPJE-NRFANRHFSA-N 2 1 409.574 3.818 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H](Cc2ccccc2Cl)c2cccs2)C1 ZINC000495081768 1000819222 /nfs/dbraw/zinc/81/92/22/1000819222.db2.gz VLKTXZDMNGPQOB-IEBWSBKVSA-N 2 1 405.995 3.862 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc(Cc2ccccc2)nc1C ZINC000505750772 1001005997 /nfs/dbraw/zinc/00/59/97/1001005997.db2.gz VFVJJMWWQSIOFV-HXUWFJFHSA-N 2 1 414.619 3.530 20 0 HHADMP C[N@H+](CC(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)Cc1ccccc1 ZINC000505760031 1001009583 /nfs/dbraw/zinc/00/95/83/1001009583.db2.gz KDVUDYQEUUIQHR-UHFFFAOYSA-N 2 1 408.546 3.572 20 0 HHADMP C[N@@H+](CC(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)Cc1ccccc1 ZINC000505760031 1001009587 /nfs/dbraw/zinc/00/95/87/1001009587.db2.gz KDVUDYQEUUIQHR-UHFFFAOYSA-N 2 1 408.546 3.572 20 0 HHADMP Cc1csc([C@@H]([NH2+][C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C2CC2)n1 ZINC000495449524 1001016170 /nfs/dbraw/zinc/01/61/70/1001016170.db2.gz CZPUNVLCNQHVNN-UWJYYQICSA-N 2 1 412.603 3.662 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc2cccc(F)c2c1COC ZINC000505783849 1001022092 /nfs/dbraw/zinc/02/20/92/1001022092.db2.gz LYYVTECLUOGKRO-MRXNPFEDSA-N 2 1 421.582 3.675 20 0 HHADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000505891256 1001083897 /nfs/dbraw/zinc/08/38/97/1001083897.db2.gz IVNSOTLKIZTNBE-FGZHOGPDSA-N 2 1 413.512 3.535 20 0 HHADMP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH+](Cc2ccccc2)CCC1(F)F ZINC000505891256 1001083901 /nfs/dbraw/zinc/08/39/01/1001083901.db2.gz IVNSOTLKIZTNBE-FGZHOGPDSA-N 2 1 413.512 3.535 20 0 HHADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[NH+](Cc2ccccc2)CCC1(F)F ZINC000505891256 1001083906 /nfs/dbraw/zinc/08/39/06/1001083906.db2.gz IVNSOTLKIZTNBE-FGZHOGPDSA-N 2 1 413.512 3.535 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000506173929 1001260062 /nfs/dbraw/zinc/26/00/62/1001260062.db2.gz OCUMHNPHCXELBT-MRXNPFEDSA-N 2 1 422.545 3.576 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)c1 ZINC000506216872 1001284198 /nfs/dbraw/zinc/28/41/98/1001284198.db2.gz CYEWJNVHDMKMNI-JOCHJYFZSA-N 2 1 413.949 3.778 20 0 HHADMP C[C@H]1C[C@H](NC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)CC[N@@H+]1C ZINC000506243577 1001302494 /nfs/dbraw/zinc/30/24/94/1001302494.db2.gz MAXIOFTXDWLQSN-RBUKOAKNSA-N 2 1 404.558 3.566 20 0 HHADMP C[C@H]1C[C@H](NC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)CC[N@H+]1C ZINC000506243577 1001302500 /nfs/dbraw/zinc/30/25/00/1001302500.db2.gz MAXIOFTXDWLQSN-RBUKOAKNSA-N 2 1 404.558 3.566 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000497502915 1001406316 /nfs/dbraw/zinc/40/63/16/1001406316.db2.gz IWAPOMUIRFGXFL-GGAORHGYSA-N 2 1 410.562 3.537 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000497502915 1001406319 /nfs/dbraw/zinc/40/63/19/1001406319.db2.gz IWAPOMUIRFGXFL-GGAORHGYSA-N 2 1 410.562 3.537 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000497502915 1001406323 /nfs/dbraw/zinc/40/63/23/1001406323.db2.gz IWAPOMUIRFGXFL-GGAORHGYSA-N 2 1 410.562 3.537 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000497502915 1001406325 /nfs/dbraw/zinc/40/63/25/1001406325.db2.gz IWAPOMUIRFGXFL-GGAORHGYSA-N 2 1 410.562 3.537 20 0 HHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CC=C(c4ccc(F)cc4)CC3)cc2)CC1 ZINC000497527005 1001420466 /nfs/dbraw/zinc/42/04/66/1001420466.db2.gz VMHMSUPFLWFEJN-DEOSSOPVSA-N 2 1 407.533 3.939 20 0 HHADMP Cc1ccc([C@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[NH+]2CCCC2)o1 ZINC000506470536 1001426920 /nfs/dbraw/zinc/42/69/20/1001426920.db2.gz SIFURNFRHVISOO-UNMCSNQZSA-N 2 1 413.537 3.892 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCOc3cccc(C(C)(C)C)c3)CC2)CC1 ZINC000506473336 1001428483 /nfs/dbraw/zinc/42/84/83/1001428483.db2.gz YETCSUPKYXEICF-UHFFFAOYSA-N 2 1 415.622 3.629 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N[C@H](C)[C@H](c3ccccc3C)[NH+](C)C)CC2)[nH+]1 ZINC000497567778 1001439181 /nfs/dbraw/zinc/43/91/81/1001439181.db2.gz MCUQCHKXNXPRPQ-AUSIDOKSSA-N 2 1 409.578 3.658 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000497690674 1001486145 /nfs/dbraw/zinc/48/61/45/1001486145.db2.gz JZONRNXROZXOCR-CEMLEFRQSA-N 2 1 412.578 3.872 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+]1CCc2sccc2C1 ZINC000506935709 1001602465 /nfs/dbraw/zinc/60/24/65/1001602465.db2.gz SYPXKDLRRDVNKX-AQNXPRMDSA-N 2 1 418.651 3.791 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+]1CCc2sccc2C1 ZINC000506935709 1001602470 /nfs/dbraw/zinc/60/24/70/1001602470.db2.gz SYPXKDLRRDVNKX-AQNXPRMDSA-N 2 1 418.651 3.791 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)[N@@H+]1CCc2sccc2C1 ZINC000506935709 1001602472 /nfs/dbraw/zinc/60/24/72/1001602472.db2.gz SYPXKDLRRDVNKX-AQNXPRMDSA-N 2 1 418.651 3.791 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)[N@H+]1CCc2sccc2C1 ZINC000506935709 1001602477 /nfs/dbraw/zinc/60/24/77/1001602477.db2.gz SYPXKDLRRDVNKX-AQNXPRMDSA-N 2 1 418.651 3.791 20 0 HHADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000498023473 1001610119 /nfs/dbraw/zinc/61/01/19/1001610119.db2.gz BNILXQHGGMALNG-SIKLNZKXSA-N 2 1 412.603 3.657 20 0 HHADMP C[NH+](Cc1ccccc1)C1CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000498023473 1001610122 /nfs/dbraw/zinc/61/01/22/1001610122.db2.gz BNILXQHGGMALNG-SIKLNZKXSA-N 2 1 412.603 3.657 20 0 HHADMP C[NH+](Cc1ccccc1)C1CN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000498023473 1001610125 /nfs/dbraw/zinc/61/01/25/1001610125.db2.gz BNILXQHGGMALNG-SIKLNZKXSA-N 2 1 412.603 3.657 20 0 HHADMP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000498143896 1001661814 /nfs/dbraw/zinc/66/18/14/1001661814.db2.gz FZBJJHGUYGDRLT-WMZHIEFXSA-N 2 1 410.562 3.680 20 0 HHADMP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000498143896 1001661816 /nfs/dbraw/zinc/66/18/16/1001661816.db2.gz FZBJJHGUYGDRLT-WMZHIEFXSA-N 2 1 410.562 3.680 20 0 HHADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)C1 ZINC000498166248 1001671400 /nfs/dbraw/zinc/67/14/00/1001671400.db2.gz NCUSLXAHQXNWCL-PWIZWCRZSA-N 2 1 422.976 3.742 20 0 HHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC000506949421 1001723634 /nfs/dbraw/zinc/72/36/34/1001723634.db2.gz IVHSEFFDPDYSMM-JTHBVZDNSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000506949421 1001723641 /nfs/dbraw/zinc/72/36/41/1001723641.db2.gz IVHSEFFDPDYSMM-JTHBVZDNSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000506949421 1001723649 /nfs/dbraw/zinc/72/36/49/1001723649.db2.gz IVHSEFFDPDYSMM-JTHBVZDNSA-N 2 1 400.611 3.805 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000506981196 1001744354 /nfs/dbraw/zinc/74/43/54/1001744354.db2.gz BVSIYWRYPACVMW-HNNXBMFYSA-N 2 1 418.916 3.821 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000498337491 1001783119 /nfs/dbraw/zinc/78/31/19/1001783119.db2.gz RWMLZGKUZIUJOH-FCRQHZQGSA-N 2 1 422.976 3.739 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000498337491 1001783123 /nfs/dbraw/zinc/78/31/23/1001783123.db2.gz RWMLZGKUZIUJOH-FCRQHZQGSA-N 2 1 422.976 3.739 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000498337491 1001783128 /nfs/dbraw/zinc/78/31/28/1001783128.db2.gz RWMLZGKUZIUJOH-FCRQHZQGSA-N 2 1 422.976 3.739 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000498337491 1001783133 /nfs/dbraw/zinc/78/31/33/1001783133.db2.gz RWMLZGKUZIUJOH-FCRQHZQGSA-N 2 1 422.976 3.739 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000498664943 1002058218 /nfs/dbraw/zinc/05/82/18/1002058218.db2.gz BVERDWRQLIUVCH-XYEHWOGUSA-N 2 1 420.548 3.614 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000498664943 1002058231 /nfs/dbraw/zinc/05/82/31/1002058231.db2.gz BVERDWRQLIUVCH-XYEHWOGUSA-N 2 1 420.548 3.614 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000498664943 1002058239 /nfs/dbraw/zinc/05/82/39/1002058239.db2.gz BVERDWRQLIUVCH-XYEHWOGUSA-N 2 1 420.548 3.614 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000498664943 1002058250 /nfs/dbraw/zinc/05/82/50/1002058250.db2.gz BVERDWRQLIUVCH-XYEHWOGUSA-N 2 1 420.548 3.614 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N2CCC[NH+](C(C)C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498666332 1002060214 /nfs/dbraw/zinc/06/02/14/1002060214.db2.gz HMLVORJNZXZXST-RTWAWAEBSA-N 2 1 408.537 3.614 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N2CCC[NH+](C(C)C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498666332 1002060222 /nfs/dbraw/zinc/06/02/22/1002060222.db2.gz HMLVORJNZXZXST-RTWAWAEBSA-N 2 1 408.537 3.614 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N2CCC[N@@H+](C(C)C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498666332 1002060234 /nfs/dbraw/zinc/06/02/34/1002060234.db2.gz HMLVORJNZXZXST-RTWAWAEBSA-N 2 1 408.537 3.614 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N2CCC[N@H+](C(C)C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498666332 1002060249 /nfs/dbraw/zinc/06/02/49/1002060249.db2.gz HMLVORJNZXZXST-RTWAWAEBSA-N 2 1 408.537 3.614 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498686843 1002074278 /nfs/dbraw/zinc/07/42/78/1002074278.db2.gz YIHCCFZGLNBOEF-NYVOZVTQSA-N 2 1 420.548 3.758 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498686843 1002074286 /nfs/dbraw/zinc/07/42/86/1002074286.db2.gz YIHCCFZGLNBOEF-NYVOZVTQSA-N 2 1 420.548 3.758 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498689925 1002077669 /nfs/dbraw/zinc/07/76/69/1002077669.db2.gz ORPRQFPOBQRUTF-YADHBBJMSA-N 2 1 422.564 3.862 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498689925 1002077678 /nfs/dbraw/zinc/07/76/78/1002077678.db2.gz ORPRQFPOBQRUTF-YADHBBJMSA-N 2 1 422.564 3.862 20 0 HHADMP C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000498691475 1002078839 /nfs/dbraw/zinc/07/88/39/1002078839.db2.gz CZRKDOUSLNAUIM-GPUOULLFSA-N 2 1 420.601 3.813 20 0 HHADMP C[C@H](NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498691475 1002078848 /nfs/dbraw/zinc/07/88/48/1002078848.db2.gz CZRKDOUSLNAUIM-GPUOULLFSA-N 2 1 420.601 3.813 20 0 HHADMP C[C@H](NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498691475 1002078855 /nfs/dbraw/zinc/07/88/55/1002078855.db2.gz CZRKDOUSLNAUIM-GPUOULLFSA-N 2 1 420.601 3.813 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000498717175 1002098990 /nfs/dbraw/zinc/09/89/90/1002098990.db2.gz LVTKGWOWBFAOCL-UNMCSNQZSA-N 2 1 412.578 3.572 20 0 HHADMP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc2)CC1 ZINC000507510135 1002120392 /nfs/dbraw/zinc/12/03/92/1002120392.db2.gz MFAJLEHCUPPQCO-FTBPSBKWSA-N 2 1 419.617 3.935 20 0 HHADMP O=c1ccccn1Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000507510913 1002121696 /nfs/dbraw/zinc/12/16/96/1002121696.db2.gz NNJOIVNWZDXVBS-TWJOJJKGSA-N 2 1 413.565 3.897 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NCC(C)(C)[N@H+]3CCC[C@H](C)C3)cc2)C[C@H](C)O1 ZINC000507512885 1002123504 /nfs/dbraw/zinc/12/35/04/1002123504.db2.gz VFKKBSGTIJMNPR-SLFFLAALSA-N 2 1 401.595 3.536 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NCC(C)(C)[N@@H+]3CCC[C@H](C)C3)cc2)C[C@H](C)O1 ZINC000507512885 1002123496 /nfs/dbraw/zinc/12/34/96/1002123496.db2.gz VFKKBSGTIJMNPR-SLFFLAALSA-N 2 1 401.595 3.536 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCC(C)(C)[NH+]3CCC[C@H](C)C3)cc2)C[C@H](C)O1 ZINC000507512885 1002123514 /nfs/dbraw/zinc/12/35/14/1002123514.db2.gz VFKKBSGTIJMNPR-SLFFLAALSA-N 2 1 401.595 3.536 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCC(C)(C)[NH+]3CCC[C@H](C)C3)cc2)C[C@H](C)O1 ZINC000507512885 1002123524 /nfs/dbraw/zinc/12/35/24/1002123524.db2.gz VFKKBSGTIJMNPR-SLFFLAALSA-N 2 1 401.595 3.536 20 0 HHADMP O=C1c2ccccc2C(=O)N1CCCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000507518349 1002128490 /nfs/dbraw/zinc/12/84/90/1002128490.db2.gz CPWSJIYBEHIKLD-NKKJXINNSA-N 2 1 417.553 3.563 20 0 HHADMP O=C1CCCN1C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000507521422 1002130806 /nfs/dbraw/zinc/13/08/06/1002130806.db2.gz YAJAJOSPJRTAMI-RCTAOEEJSA-N 2 1 403.570 3.850 20 0 HHADMP O=C1CCCN1C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000507521422 1002130801 /nfs/dbraw/zinc/13/08/01/1002130801.db2.gz YAJAJOSPJRTAMI-RCTAOEEJSA-N 2 1 403.570 3.850 20 0 HHADMP Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)c1 ZINC000498795048 1002180465 /nfs/dbraw/zinc/18/04/65/1002180465.db2.gz AZJPLFSKKPUGJR-BYXVTNLJSA-N 2 1 417.597 3.977 20 0 HHADMP Cc1cccc([C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000498795048 1002180472 /nfs/dbraw/zinc/18/04/72/1002180472.db2.gz AZJPLFSKKPUGJR-BYXVTNLJSA-N 2 1 417.597 3.977 20 0 HHADMP Cc1cccc([C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000498795048 1002180479 /nfs/dbraw/zinc/18/04/79/1002180479.db2.gz AZJPLFSKKPUGJR-BYXVTNLJSA-N 2 1 417.597 3.977 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+](CC)CC(=O)Nc2ccccc2OC)CC1 ZINC000507686142 1002278491 /nfs/dbraw/zinc/27/84/91/1002278491.db2.gz XHTBQKXYEMJGCH-UHFFFAOYSA-N 2 1 424.589 3.688 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](CC)CC(=O)Nc2ccccc2OC)CC1 ZINC000507686142 1002278503 /nfs/dbraw/zinc/27/85/03/1002278503.db2.gz XHTBQKXYEMJGCH-UHFFFAOYSA-N 2 1 424.589 3.688 20 0 HHADMP Cn1ccnc1[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1cccc(F)c1 ZINC000507905217 1002440421 /nfs/dbraw/zinc/44/04/21/1002440421.db2.gz YEVAVUCHBKNZTD-XMMPIXPASA-N 2 1 421.564 3.841 20 0 HHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](c3nccn3C)c3cccc(F)c3)CC2)oc1C ZINC000507940079 1002474733 /nfs/dbraw/zinc/47/47/33/1002474733.db2.gz UPXIFUUGRZQFCW-JOCHJYFZSA-N 2 1 411.525 3.755 20 0 HHADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000508043917 1002566064 /nfs/dbraw/zinc/56/60/64/1002566064.db2.gz AURRGWRITDBBLC-QFIPXVFZSA-N 2 1 417.500 3.789 20 0 HHADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000508043917 1002566054 /nfs/dbraw/zinc/56/60/54/1002566054.db2.gz AURRGWRITDBBLC-QFIPXVFZSA-N 2 1 417.500 3.789 20 0 HHADMP C[N@@H+](Cc1ccccc1CNC(=O)NCC1(C)CC[NH+](C)CC1)C1CCCCC1 ZINC000508161559 1002699139 /nfs/dbraw/zinc/69/91/39/1002699139.db2.gz KHJTWSNYANFEBT-UHFFFAOYSA-N 2 1 400.611 3.982 20 0 HHADMP O=C(NCCCCC[NH+]1CCCC1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000508233005 1002759969 /nfs/dbraw/zinc/75/99/69/1002759969.db2.gz ZCHSYTYZTZBRLG-OAQYLSRUSA-N 2 1 411.512 3.823 20 0 HHADMP Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC1 ZINC000508320837 1002826154 /nfs/dbraw/zinc/82/61/54/1002826154.db2.gz VYXVVBNPSUOCKB-UHFFFAOYSA-N 2 1 409.599 3.502 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NCC2(C)CC[NH+](C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000508383751 1002876989 /nfs/dbraw/zinc/87/69/89/1002876989.db2.gz RWJGKQQPWZNXST-WOJBJXKFSA-N 2 1 408.537 3.520 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NCC2(C)CC[NH+](C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000508383751 1002877004 /nfs/dbraw/zinc/87/70/04/1002877004.db2.gz RWJGKQQPWZNXST-WOJBJXKFSA-N 2 1 408.537 3.520 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508698065 1003136461 /nfs/dbraw/zinc/13/64/61/1003136461.db2.gz NLTDMMLIAZHKGC-BPUDTRNYSA-N 2 1 407.558 3.804 20 0 HHADMP Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000508701420 1003139206 /nfs/dbraw/zinc/13/92/06/1003139206.db2.gz WZOGFESRQXVBMJ-DFCKQENNSA-N 2 1 407.602 3.869 20 0 HHADMP Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000508701420 1003139211 /nfs/dbraw/zinc/13/92/11/1003139211.db2.gz WZOGFESRQXVBMJ-DFCKQENNSA-N 2 1 407.602 3.869 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)N[C@H](C)[C@H](c3ccccc3)[NH+](C)C)CC2)cc1 ZINC000508902794 1003338941 /nfs/dbraw/zinc/33/89/41/1003338941.db2.gz DUBUQGLUJDILCN-HYBUGGRVSA-N 2 1 424.589 3.604 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000508905476 1003343090 /nfs/dbraw/zinc/34/30/90/1003343090.db2.gz LEYYUIVXCMLXKI-TUACAJSNSA-N 2 1 423.605 3.769 20 0 HHADMP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(Sc4ccccn4)o3)CC2)CC1 ZINC000508967676 1003438002 /nfs/dbraw/zinc/43/80/02/1003438002.db2.gz NGQDQAARLDAJIG-UHFFFAOYSA-N 2 1 400.592 3.816 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000500093262 1003453071 /nfs/dbraw/zinc/45/30/71/1003453071.db2.gz ZCHYVUNWZVHOML-SFHVURJKSA-N 2 1 400.394 3.863 20 0 HHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccc(-n4ccnc4)cc3)CC2)c1C ZINC000509093424 1003547296 /nfs/dbraw/zinc/54/72/96/1003547296.db2.gz ICGHFYDYOWNBHE-UHFFFAOYSA-N 2 1 419.573 3.989 20 0 HHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccc(-n4ccnc4)cc3)CC2)c1C ZINC000509093424 1003547306 /nfs/dbraw/zinc/54/73/06/1003547306.db2.gz ICGHFYDYOWNBHE-UHFFFAOYSA-N 2 1 419.573 3.989 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCOc3ccc(C(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000500217029 1003558027 /nfs/dbraw/zinc/55/80/27/1003558027.db2.gz HNJOFUJFPOHNCF-CALCHBBNSA-N 2 1 400.485 3.905 20 0 HHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000509231845 1003641297 /nfs/dbraw/zinc/64/12/97/1003641297.db2.gz HALBOAWOVGVYMS-OPYAIIAOSA-N 2 1 411.512 3.678 20 0 HHADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000509231845 1003641301 /nfs/dbraw/zinc/64/13/01/1003641301.db2.gz HALBOAWOVGVYMS-OPYAIIAOSA-N 2 1 411.512 3.678 20 0 HHADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000509231845 1003641308 /nfs/dbraw/zinc/64/13/08/1003641308.db2.gz HALBOAWOVGVYMS-OPYAIIAOSA-N 2 1 411.512 3.678 20 0 HHADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000500436951 1003716762 /nfs/dbraw/zinc/71/67/62/1003716762.db2.gz AMGHZWGXHDIABM-QHCPKHFHSA-N 2 1 406.574 3.669 20 0 HHADMP CC[N@@H+](C)[C@H](C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1ccccc1 ZINC000500502916 1003750122 /nfs/dbraw/zinc/75/01/22/1003750122.db2.gz PPMMCRHLSDNUPF-OFNKIYASSA-N 2 1 409.574 3.696 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NC[C@@H](c3ccco3)[NH+](C)C)cc2)C1 ZINC000500646511 1003859889 /nfs/dbraw/zinc/85/98/89/1003859889.db2.gz GYKXQSMRIIDDAC-KNKQGSTJSA-N 2 1 412.578 3.860 20 0 HHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C3CCN(CC(F)(F)F)CC3)CC2)cs1 ZINC000509459035 1003877374 /nfs/dbraw/zinc/87/73/74/1003877374.db2.gz HHWOXZOETIJHJZ-UHFFFAOYSA-N 2 1 404.546 3.534 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000500832842 1003989342 /nfs/dbraw/zinc/98/93/42/1003989342.db2.gz YISQNTYUQVJUGG-OYRHEFFESA-N 2 1 415.626 3.698 20 0 HHADMP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000512125244 1004040576 /nfs/dbraw/zinc/04/05/76/1004040576.db2.gz XVQPUTOAPRQQLC-SXWKCWPCSA-N 2 1 401.595 3.631 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000512125244 1004040588 /nfs/dbraw/zinc/04/05/88/1004040588.db2.gz XVQPUTOAPRQQLC-SXWKCWPCSA-N 2 1 401.595 3.631 20 0 HHADMP CC(C)[C@H](CNC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000501018117 1004120520 /nfs/dbraw/zinc/12/05/20/1004120520.db2.gz CNWXFEUKDHYAAI-DEOSSOPVSA-N 2 1 408.590 3.786 20 0 HHADMP O=C(CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)NCc1ccccc1Cl ZINC000512237995 1004140418 /nfs/dbraw/zinc/14/04/18/1004140418.db2.gz XLOGOLBTGNLTSN-DEOSSOPVSA-N 2 1 411.977 3.944 20 0 HHADMP O=C(CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)NCc1ccccc1Cl ZINC000512237995 1004140419 /nfs/dbraw/zinc/14/04/19/1004140419.db2.gz XLOGOLBTGNLTSN-DEOSSOPVSA-N 2 1 411.977 3.944 20 0 HHADMP O=C(CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)NCc1ccccc1Cl ZINC000512237995 1004140423 /nfs/dbraw/zinc/14/04/23/1004140423.db2.gz XLOGOLBTGNLTSN-DEOSSOPVSA-N 2 1 411.977 3.944 20 0 HHADMP c1ccc(C[N@@H+]2CC[C@]3(CCN(CCC[NH+]4CCN(c5ccccc5)CC4)C3)C2)cc1 ZINC000512242590 1004144952 /nfs/dbraw/zinc/14/49/52/1004144952.db2.gz JEZYNXLHKAIVQA-MHZLTWQESA-N 2 1 418.629 3.797 20 0 HHADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](CCCN4CCN(c5ccccc5)CC4)C3)C2)cc1 ZINC000512242590 1004144957 /nfs/dbraw/zinc/14/49/57/1004144957.db2.gz JEZYNXLHKAIVQA-MHZLTWQESA-N 2 1 418.629 3.797 20 0 HHADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](CCCN4CCN(c5ccccc5)CC4)C3)C2)cc1 ZINC000512242590 1004144962 /nfs/dbraw/zinc/14/49/62/1004144962.db2.gz JEZYNXLHKAIVQA-MHZLTWQESA-N 2 1 418.629 3.797 20 0 HHADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](CCCN4CCN(c5ccccc5)CC4)C3)C2)cc1 ZINC000512242590 1004144966 /nfs/dbraw/zinc/14/49/66/1004144966.db2.gz JEZYNXLHKAIVQA-MHZLTWQESA-N 2 1 418.629 3.797 20 0 HHADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](CCCN4CCN(c5ccccc5)CC4)C3)C2)cc1 ZINC000512242590 1004144968 /nfs/dbraw/zinc/14/49/68/1004144968.db2.gz JEZYNXLHKAIVQA-MHZLTWQESA-N 2 1 418.629 3.797 20 0 HHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2cc(Cl)c(OC)cc2OC)CC1 ZINC000512259301 1004160789 /nfs/dbraw/zinc/16/07/89/1004160789.db2.gz IVJCWLHKFQZPSZ-UHFFFAOYSA-N 2 1 411.974 3.740 20 0 HHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2cc(Cl)c(OC)cc2OC)CC1 ZINC000512259301 1004160791 /nfs/dbraw/zinc/16/07/91/1004160791.db2.gz IVJCWLHKFQZPSZ-UHFFFAOYSA-N 2 1 411.974 3.740 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000501068885 1004171506 /nfs/dbraw/zinc/17/15/06/1004171506.db2.gz ASGPMOLTEHLTFH-NFBKMPQASA-N 2 1 400.611 3.660 20 0 HHADMP COCCCn1c(C)cc(C(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000501084287 1004190092 /nfs/dbraw/zinc/19/00/92/1004190092.db2.gz FAYYKUPYCNKAOX-UHFFFAOYSA-N 2 1 412.578 3.568 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000501172980 1004253962 /nfs/dbraw/zinc/25/39/62/1004253962.db2.gz JNSYTBJDUSLUMB-RTWAWAEBSA-N 2 1 400.592 3.705 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000512393160 1004266370 /nfs/dbraw/zinc/26/63/70/1004266370.db2.gz OKJIYDVGJKREAK-JRFVFWCSSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@H]1C[C@@H](CCNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000512406435 1004275349 /nfs/dbraw/zinc/27/53/49/1004275349.db2.gz PXJCESQNHRYIHK-XUZZJYLKSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CCC[N@H+](C3CCCC3)CC2)C[NH+]1Cc1ccccc1 ZINC000512413725 1004281653 /nfs/dbraw/zinc/28/16/53/1004281653.db2.gz ZKCSXKIUOBIPCT-GGAORHGYSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CCC[NH+](C3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512413725 1004281662 /nfs/dbraw/zinc/28/16/62/1004281662.db2.gz ZKCSXKIUOBIPCT-GGAORHGYSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CCC[NH+](C3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000512413725 1004281669 /nfs/dbraw/zinc/28/16/69/1004281669.db2.gz ZKCSXKIUOBIPCT-GGAORHGYSA-N 2 1 412.622 3.947 20 0 HHADMP CO[C@@H](C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1ccc(Cl)cc1 ZINC000512480744 1004333244 /nfs/dbraw/zinc/33/32/44/1004333244.db2.gz PYZFWVAVBVSBPJ-ZEQRLZLVSA-N 2 1 413.993 3.920 20 0 HHADMP CO[C@@H](C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccc(Cl)cc1 ZINC000512480744 1004333250 /nfs/dbraw/zinc/33/32/50/1004333250.db2.gz PYZFWVAVBVSBPJ-ZEQRLZLVSA-N 2 1 413.993 3.920 20 0 HHADMP CC[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000501336777 1004355072 /nfs/dbraw/zinc/35/50/72/1004355072.db2.gz WWHURYHUHVKIKX-RUZDIDTESA-N 2 1 420.601 3.919 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)c1 ZINC000501378898 1004377844 /nfs/dbraw/zinc/37/78/44/1004377844.db2.gz UNDACEHUZUHNHB-JTHBVZDNSA-N 2 1 422.573 3.558 20 0 HHADMP CC[C@H](CNC(=O)Nc1cccc(OCC[NH+](C)C)c1)[N@H+]1CCc2ccccc2C1 ZINC000501405917 1004397392 /nfs/dbraw/zinc/39/73/92/1004397392.db2.gz LVZCROAKEYSSRR-JOCHJYFZSA-N 2 1 410.562 3.585 20 0 HHADMP CC[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000501406682 1004397664 /nfs/dbraw/zinc/39/76/64/1004397664.db2.gz PLHYNBBCAHPCAN-RUZDIDTESA-N 2 1 420.601 3.919 20 0 HHADMP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)COc1ccc(F)c(F)c1 ZINC000512618267 1004431313 /nfs/dbraw/zinc/43/13/13/1004431313.db2.gz IACZVNHJWFHTPF-FPRSRYDQSA-N 2 1 416.512 3.595 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H](c4cccnc4)C3)c2)C1 ZINC000501472916 1004447210 /nfs/dbraw/zinc/44/72/10/1004447210.db2.gz FYSABNPBIQHLFW-QPTUXGOLSA-N 2 1 406.574 3.595 20 0 HHADMP O=C(NC1CC1)c1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512635489 1004447848 /nfs/dbraw/zinc/44/78/48/1004447848.db2.gz HNGKNKZEDFDBQV-QLBJFCOMSA-N 2 1 403.570 3.969 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCCc4nnc5n4CCCCC5)[C@H]3C2)cc1 ZINC000512660855 1004471246 /nfs/dbraw/zinc/47/12/46/1004471246.db2.gz OZZQFECGXHBAKY-RJGXRXQPSA-N 2 1 407.606 3.827 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CC(C)(C)C[NH+](C)Cc2ccccc2)CC1 ZINC000512687056 1004493730 /nfs/dbraw/zinc/49/37/30/1004493730.db2.gz LSWPXHKICAGUON-ZRZAMGCNSA-N 2 1 400.655 3.635 20 0 HHADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000512687056 1004493736 /nfs/dbraw/zinc/49/37/36/1004493736.db2.gz LSWPXHKICAGUON-ZRZAMGCNSA-N 2 1 400.655 3.635 20 0 HHADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000512687056 1004493744 /nfs/dbraw/zinc/49/37/44/1004493744.db2.gz LSWPXHKICAGUON-ZRZAMGCNSA-N 2 1 400.655 3.635 20 0 HHADMP C[C@H]1CCC[N@@H+](CCNC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1 ZINC000501546636 1004506193 /nfs/dbraw/zinc/50/61/93/1004506193.db2.gz PPRUAUKWOAKRGW-FQEVSTJZSA-N 2 1 408.590 3.946 20 0 HHADMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(Br)c1OC(F)F ZINC000512803732 1004568704 /nfs/dbraw/zinc/56/87/04/1004568704.db2.gz ABFHUASEUGLWNP-STQMWFEESA-N 2 1 405.283 3.776 20 0 HHADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc(Br)c1OC(F)F ZINC000512803732 1004568712 /nfs/dbraw/zinc/56/87/12/1004568712.db2.gz ABFHUASEUGLWNP-STQMWFEESA-N 2 1 405.283 3.776 20 0 HHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510484732 1004601777 /nfs/dbraw/zinc/60/17/77/1004601777.db2.gz YMCYYQVJWFWGCD-CTNGQTDRSA-N 2 1 400.611 3.981 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1ccccc1Cl ZINC000501707856 1004627350 /nfs/dbraw/zinc/62/73/50/1004627350.db2.gz JIVUELKYCCOLKO-QFIPXVFZSA-N 2 1 414.981 3.690 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NCCC[N@H+]1CCc2ccccc2C1)c1ccccc1Cl ZINC000501707856 1004627393 /nfs/dbraw/zinc/62/73/93/1004627393.db2.gz JIVUELKYCCOLKO-QFIPXVFZSA-N 2 1 414.981 3.690 20 0 HHADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000501724642 1004646610 /nfs/dbraw/zinc/64/66/10/1004646610.db2.gz HUNVKMRBZXZAAM-JOCHJYFZSA-N 2 1 410.562 3.554 20 0 HHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)[NH+](C)C ZINC000510529053 1004659972 /nfs/dbraw/zinc/65/99/72/1004659972.db2.gz ZLYAXZVCROBFDL-BEFAXECRSA-N 2 1 413.472 3.935 20 0 HHADMP C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510544866 1004677567 /nfs/dbraw/zinc/67/75/67/1004677567.db2.gz JQMLJTVCIHLSNP-CMKODMSKSA-N 2 1 404.624 3.837 20 0 HHADMP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)ccc1F ZINC000512921427 1004694420 /nfs/dbraw/zinc/69/44/20/1004694420.db2.gz POZBDKIPDJKYES-FQEVSTJZSA-N 2 1 419.491 3.661 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000501792188 1004735421 /nfs/dbraw/zinc/73/54/21/1004735421.db2.gz CISTZKGTKNAYHK-UHFFFAOYSA-N 2 1 410.606 3.931 20 0 HHADMP c1c(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000513110220 1004811876 /nfs/dbraw/zinc/81/18/76/1004811876.db2.gz LTFIJSJCDLPOIT-UHFFFAOYSA-N 2 1 401.558 3.957 20 0 HHADMP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000502018212 1004864101 /nfs/dbraw/zinc/86/41/01/1004864101.db2.gz SDWZVMWIEXPOHH-VJBMBRPKSA-N 2 1 400.611 3.713 20 0 HHADMP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000502018212 1004864108 /nfs/dbraw/zinc/86/41/08/1004864108.db2.gz SDWZVMWIEXPOHH-VJBMBRPKSA-N 2 1 400.611 3.713 20 0 HHADMP CC[C@H](C)[C@@H]1C[NH+](Cc2ccc(C)nc2)CCN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000502018212 1004864115 /nfs/dbraw/zinc/86/41/15/1004864115.db2.gz SDWZVMWIEXPOHH-VJBMBRPKSA-N 2 1 400.611 3.713 20 0 HHADMP CC[C@H](C)[C@@H]1C[NH+](Cc2ccc(C)nc2)CCN1C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000502018212 1004864122 /nfs/dbraw/zinc/86/41/22/1004864122.db2.gz SDWZVMWIEXPOHH-VJBMBRPKSA-N 2 1 400.611 3.713 20 0 HHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000513273823 1004890882 /nfs/dbraw/zinc/89/08/82/1004890882.db2.gz ZMZFOYXWPQQMBD-UHFFFAOYSA-N 2 1 409.574 3.885 20 0 HHADMP CN(C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000502147534 1004923587 /nfs/dbraw/zinc/92/35/87/1004923587.db2.gz KQGJYBGXAKQYTG-SWDXFRIISA-N 2 1 412.500 3.575 20 0 HHADMP COCc1ccccc1/C=C(/C)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000510951207 1004950348 /nfs/dbraw/zinc/95/03/48/1004950348.db2.gz KVLWBJMYNTXIEH-BKVHRCCISA-N 2 1 421.585 3.723 20 0 HHADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000510951851 1004950669 /nfs/dbraw/zinc/95/06/69/1004950669.db2.gz PZLBKKIAPVCUOV-PGRDOPGGSA-N 2 1 415.603 3.546 20 0 HHADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000510951851 1004950673 /nfs/dbraw/zinc/95/06/73/1004950673.db2.gz PZLBKKIAPVCUOV-PGRDOPGGSA-N 2 1 415.603 3.546 20 0 HHADMP O=C(COc1ccccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)NCC1CC1 ZINC000513423955 1004959395 /nfs/dbraw/zinc/95/93/95/1004959395.db2.gz BRVDMOWRATVPDB-QFIPXVFZSA-N 2 1 413.606 3.680 20 0 HHADMP O=C(COc1ccccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)NCC1CC1 ZINC000513423955 1004959402 /nfs/dbraw/zinc/95/94/02/1004959402.db2.gz BRVDMOWRATVPDB-QFIPXVFZSA-N 2 1 413.606 3.680 20 0 HHADMP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000513440300 1004967668 /nfs/dbraw/zinc/96/76/68/1004967668.db2.gz UDKHEYNZNACNKD-IBGZPJMESA-N 2 1 410.562 3.936 20 0 HHADMP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000513440300 1004967671 /nfs/dbraw/zinc/96/76/71/1004967671.db2.gz UDKHEYNZNACNKD-IBGZPJMESA-N 2 1 410.562 3.936 20 0 HHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccccc2OCC(=O)N(C)C)C[N@H+]1Cc1ccccc1 ZINC000513506280 1004995210 /nfs/dbraw/zinc/99/52/10/1004995210.db2.gz PLVMGCIZGNGENU-RBBKRZOGSA-N 2 1 409.574 3.544 20 0 HHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc(OCc4ccccc4)c3)CC2)CC1 ZINC000513647418 1005065537 /nfs/dbraw/zinc/06/55/37/1005065537.db2.gz IYDDWNPAJSEDEI-UHFFFAOYSA-N 2 1 421.585 3.642 20 0 HHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000502493246 1005090974 /nfs/dbraw/zinc/09/09/74/1005090974.db2.gz JCTAINVQCBTYMX-NRFANRHFSA-N 2 1 404.624 3.664 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](CC)Cc2ccc(C(=O)N(C)C)cc2)CC1 ZINC000513725557 1005097693 /nfs/dbraw/zinc/09/76/93/1005097693.db2.gz PRKMAEWRHJHMNI-UHFFFAOYSA-N 2 1 422.617 3.943 20 0 HHADMP C[C@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511304755 1005116571 /nfs/dbraw/zinc/11/65/71/1005116571.db2.gz GERZJJTZDKSUQR-GHTZIAJQSA-N 2 1 401.620 3.618 20 0 HHADMP C[C@@H](NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511304714 1005116697 /nfs/dbraw/zinc/11/66/97/1005116697.db2.gz FSTFNCZRQPPMHS-VLVHOKLOSA-N 2 1 413.606 3.679 20 0 HHADMP C[C@@H](NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511304714 1005116699 /nfs/dbraw/zinc/11/66/99/1005116699.db2.gz FSTFNCZRQPPMHS-VLVHOKLOSA-N 2 1 413.606 3.679 20 0 HHADMP C[C@@H](NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511304714 1005116700 /nfs/dbraw/zinc/11/67/00/1005116700.db2.gz FSTFNCZRQPPMHS-VLVHOKLOSA-N 2 1 413.606 3.679 20 0 HHADMP C[C@@H](NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511304714 1005116704 /nfs/dbraw/zinc/11/67/04/1005116704.db2.gz FSTFNCZRQPPMHS-VLVHOKLOSA-N 2 1 413.606 3.679 20 0 HHADMP CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000511548193 1005219430 /nfs/dbraw/zinc/21/94/30/1005219430.db2.gz UASGSYAEPFNWPF-ZKMPZPQNSA-N 2 1 420.601 3.686 20 0 HHADMP CCC[NH+]1CC[C@@H](CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000511548193 1005219436 /nfs/dbraw/zinc/21/94/36/1005219436.db2.gz UASGSYAEPFNWPF-ZKMPZPQNSA-N 2 1 420.601 3.686 20 0 HHADMP CCC[NH+]1CC[C@@H](CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000511548193 1005219442 /nfs/dbraw/zinc/21/94/42/1005219442.db2.gz UASGSYAEPFNWPF-ZKMPZPQNSA-N 2 1 420.601 3.686 20 0 HHADMP CCC1(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[NH+](Cc2ccccc2)CC1 ZINC000514027573 1005234000 /nfs/dbraw/zinc/23/40/00/1005234000.db2.gz UAUIIWVWFFOMEZ-NOTZXAQLSA-N 2 1 412.622 3.993 20 0 HHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000514028078 1005234299 /nfs/dbraw/zinc/23/42/99/1005234299.db2.gz ZKUANFUXVPVZMK-FQEVSTJZSA-N 2 1 400.611 3.982 20 0 HHADMP CC1CC[NH+](C2CCC(NC(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)CC2)CC1 ZINC000502833193 1005237618 /nfs/dbraw/zinc/23/76/18/1005237618.db2.gz SUDRODSITYQBMD-ZDTVFLJBSA-N 2 1 402.627 3.688 20 0 HHADMP COc1ccc([C@H](CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000502863395 1005248748 /nfs/dbraw/zinc/24/87/48/1005248748.db2.gz QCAVKUNAHYDOPY-REWPJTCUSA-N 2 1 416.610 3.786 20 0 HHADMP Cc1ccccc1C[NH+]1CCN(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000502875919 1005254218 /nfs/dbraw/zinc/25/42/18/1005254218.db2.gz NVXHXHRVVPBZCU-SFTDATJTSA-N 2 1 400.611 3.580 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[NH+](CCCc3ccccc3)CC2)C1 ZINC000514146272 1005288448 /nfs/dbraw/zinc/28/84/48/1005288448.db2.gz WCNGJFNHDQTILN-HSZRJFAPSA-N 2 1 414.638 3.849 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)C1 ZINC000514146272 1005288454 /nfs/dbraw/zinc/28/84/54/1005288454.db2.gz WCNGJFNHDQTILN-HSZRJFAPSA-N 2 1 414.638 3.849 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)C1 ZINC000514146272 1005288459 /nfs/dbraw/zinc/28/84/59/1005288459.db2.gz WCNGJFNHDQTILN-HSZRJFAPSA-N 2 1 414.638 3.849 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000514235590 1005325472 /nfs/dbraw/zinc/32/54/72/1005325472.db2.gz FSHGQIFCXWFULH-XZOQPEGZSA-N 2 1 415.626 3.588 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000514239965 1005327433 /nfs/dbraw/zinc/32/74/33/1005327433.db2.gz VAVPICYYZGUIMY-GBXCKJPGSA-N 2 1 406.574 3.570 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000514239965 1005327436 /nfs/dbraw/zinc/32/74/36/1005327436.db2.gz VAVPICYYZGUIMY-GBXCKJPGSA-N 2 1 406.574 3.570 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000514239965 1005327438 /nfs/dbraw/zinc/32/74/38/1005327438.db2.gz VAVPICYYZGUIMY-GBXCKJPGSA-N 2 1 406.574 3.570 20 0 HHADMP CN(C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000503065682 1005335358 /nfs/dbraw/zinc/33/53/58/1005335358.db2.gz ZZRDIPFJRKTHFA-DEOSSOPVSA-N 2 1 420.601 3.957 20 0 HHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000503075566 1005339825 /nfs/dbraw/zinc/33/98/25/1005339825.db2.gz NPPUPMGAGQYOAJ-QGZVFWFLSA-N 2 1 412.534 3.972 20 0 HHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000503075566 1005339832 /nfs/dbraw/zinc/33/98/32/1005339832.db2.gz NPPUPMGAGQYOAJ-QGZVFWFLSA-N 2 1 412.534 3.972 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)c1 ZINC000503327807 1005391143 /nfs/dbraw/zinc/39/11/43/1005391143.db2.gz GOEFPCNMBZXSFU-XMMPIXPASA-N 2 1 408.590 3.502 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000503327807 1005391145 /nfs/dbraw/zinc/39/11/45/1005391145.db2.gz GOEFPCNMBZXSFU-XMMPIXPASA-N 2 1 408.590 3.502 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000503327807 1005391147 /nfs/dbraw/zinc/39/11/47/1005391147.db2.gz GOEFPCNMBZXSFU-XMMPIXPASA-N 2 1 408.590 3.502 20 0 HHADMP CC(C)[C@H](CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000503462723 1005427779 /nfs/dbraw/zinc/42/77/79/1005427779.db2.gz BHZLPXYWFXNTPC-RPWUZVMVSA-N 2 1 414.638 3.751 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[NH+](C)C ZINC000503486699 1005434658 /nfs/dbraw/zinc/43/46/58/1005434658.db2.gz KFUFWUJYHFRZEG-UNMCSNQZSA-N 2 1 416.610 3.596 20 0 HHADMP CC(C)[NH+](CCN(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC000503922697 1005512768 /nfs/dbraw/zinc/51/27/68/1005512768.db2.gz XXSLBCHNNIYFRO-NOTZXAQLSA-N 2 1 400.611 3.942 20 0 HHADMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000504289828 1005590337 /nfs/dbraw/zinc/59/03/37/1005590337.db2.gz PNEMTELSQJBAQK-WOJBJXKFSA-N 2 1 424.511 3.550 20 0 HHADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000504289828 1005590340 /nfs/dbraw/zinc/59/03/40/1005590340.db2.gz PNEMTELSQJBAQK-WOJBJXKFSA-N 2 1 424.511 3.550 20 0 HHADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000504289828 1005590344 /nfs/dbraw/zinc/59/03/44/1005590344.db2.gz PNEMTELSQJBAQK-WOJBJXKFSA-N 2 1 424.511 3.550 20 0 HHADMP O=C(N[C@H]1CC[NH+]2CCC[C@@H]2C1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000504289827 1005590470 /nfs/dbraw/zinc/59/04/70/1005590470.db2.gz PNEMTELSQJBAQK-VQTJNVASSA-N 2 1 424.511 3.550 20 0 HHADMP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000504289827 1005590472 /nfs/dbraw/zinc/59/04/72/1005590472.db2.gz PNEMTELSQJBAQK-VQTJNVASSA-N 2 1 424.511 3.550 20 0 HHADMP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000504289827 1005590474 /nfs/dbraw/zinc/59/04/74/1005590474.db2.gz PNEMTELSQJBAQK-VQTJNVASSA-N 2 1 424.511 3.550 20 0 HHADMP COc1cccc([C@H]2[C@H](NC(=O)N(C)CC[NH+](C(C)C)C(C)C)CC[N@H+]2C2CC2)c1 ZINC000504402475 1005619367 /nfs/dbraw/zinc/61/93/67/1005619367.db2.gz AMVPZFBKUKPJFP-PKTZIBPZSA-N 2 1 416.610 3.733 20 0 HHADMP Cc1cc(N2CCC([NH2+]Cc3ccccc3OCc3cccnc3)CC2)nc(C)[nH+]1 ZINC000531163902 1006024517 /nfs/dbraw/zinc/02/45/17/1006024517.db2.gz DHTYZDJJIPXHIO-UHFFFAOYSA-N 2 1 403.530 3.826 20 0 HHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000514578894 1006045492 /nfs/dbraw/zinc/04/54/92/1006045492.db2.gz IYBSBPVDIZKWOI-UHFFFAOYSA-N 2 1 408.590 3.946 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000531207276 1006047029 /nfs/dbraw/zinc/04/70/29/1006047029.db2.gz GSLFYOCGIIUCJF-DENIHFKCSA-N 2 1 412.603 3.867 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000531207277 1006047495 /nfs/dbraw/zinc/04/74/95/1006047495.db2.gz GSLFYOCGIIUCJF-KNQAVFIVSA-N 2 1 412.603 3.867 20 0 HHADMP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000534099368 1006071364 /nfs/dbraw/zinc/07/13/64/1006071364.db2.gz MDQZBXWKLBRBES-YCZSINBZSA-N 2 1 416.997 3.744 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000534099368 1006071373 /nfs/dbraw/zinc/07/13/73/1006071373.db2.gz MDQZBXWKLBRBES-YCZSINBZSA-N 2 1 416.997 3.744 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000534099368 1006071385 /nfs/dbraw/zinc/07/13/85/1006071385.db2.gz MDQZBXWKLBRBES-YCZSINBZSA-N 2 1 416.997 3.744 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000534099368 1006071399 /nfs/dbraw/zinc/07/13/99/1006071399.db2.gz MDQZBXWKLBRBES-YCZSINBZSA-N 2 1 416.997 3.744 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000534181160 1006169288 /nfs/dbraw/zinc/16/92/88/1006169288.db2.gz GSKNFKRPUXYISW-JWQCQUIFSA-N 2 1 423.601 3.531 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000534181160 1006169294 /nfs/dbraw/zinc/16/92/94/1006169294.db2.gz GSKNFKRPUXYISW-JWQCQUIFSA-N 2 1 423.601 3.531 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000534181160 1006169300 /nfs/dbraw/zinc/16/93/00/1006169300.db2.gz GSKNFKRPUXYISW-JWQCQUIFSA-N 2 1 423.601 3.531 20 0 HHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534205380 1006197873 /nfs/dbraw/zinc/19/78/73/1006197873.db2.gz ZUDMVVLGTMHECQ-WRWLIDTKSA-N 2 1 410.965 3.501 20 0 HHADMP CC(C)[NH+]1CC[C@H](CNC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534205380 1006197874 /nfs/dbraw/zinc/19/78/74/1006197874.db2.gz ZUDMVVLGTMHECQ-WRWLIDTKSA-N 2 1 410.965 3.501 20 0 HHADMP CC(C)[NH+]1CC[C@H](CNC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534205380 1006197875 /nfs/dbraw/zinc/19/78/75/1006197875.db2.gz ZUDMVVLGTMHECQ-WRWLIDTKSA-N 2 1 410.965 3.501 20 0 HHADMP CC[C@@H](CNC(=O)C1CCN(c2cc[nH+]cc2C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000531446252 1006202244 /nfs/dbraw/zinc/20/22/44/1006202244.db2.gz DMWDRDOMEBCVLS-QHCPKHFHSA-N 2 1 406.574 3.560 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534226343 1006223642 /nfs/dbraw/zinc/22/36/42/1006223642.db2.gz KHINQDTWCTXGFX-CBGDNZLLSA-N 2 1 422.976 3.788 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534226343 1006223648 /nfs/dbraw/zinc/22/36/48/1006223648.db2.gz KHINQDTWCTXGFX-CBGDNZLLSA-N 2 1 422.976 3.788 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534226343 1006223663 /nfs/dbraw/zinc/22/36/63/1006223663.db2.gz KHINQDTWCTXGFX-CBGDNZLLSA-N 2 1 422.976 3.788 20 0 HHADMP COc1cccc(CNC(=O)[C@H](C)[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000534232092 1006232923 /nfs/dbraw/zinc/23/29/23/1006232923.db2.gz UWAWUQMCHVROCM-NRFANRHFSA-N 2 1 421.585 3.688 20 0 HHADMP CC1CC[NH+](CCCNC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000534256429 1006265605 /nfs/dbraw/zinc/26/56/05/1006265605.db2.gz BIHGPOFOXDHJQU-UHFFFAOYSA-N 2 1 412.622 3.806 20 0 HHADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)CCCO2 ZINC000531677594 1006348660 /nfs/dbraw/zinc/34/86/60/1006348660.db2.gz YTCWTAWKCLNAJI-WOJBJXKFSA-N 2 1 401.576 3.549 20 0 HHADMP CC(C)COc1ccc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000515253930 1006364158 /nfs/dbraw/zinc/36/41/58/1006364158.db2.gz ASIMJGBVLWSHLU-OYRHEFFESA-N 2 1 404.595 3.812 20 0 HHADMP CC(C)COc1ccc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000515253930 1006364170 /nfs/dbraw/zinc/36/41/70/1006364170.db2.gz ASIMJGBVLWSHLU-OYRHEFFESA-N 2 1 404.595 3.812 20 0 HHADMP COc1ccc([C@H](CNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)[NH+]2CCCCC2)cc1 ZINC000515292638 1006380943 /nfs/dbraw/zinc/38/09/43/1006380943.db2.gz MULKIAPBVYUGGJ-REWPJTCUSA-N 2 1 416.610 3.786 20 0 HHADMP CN(c1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000531848156 1006468640 /nfs/dbraw/zinc/46/86/40/1006468640.db2.gz JQFGFTHNOCTXDZ-DEOSSOPVSA-N 3 1 420.645 3.871 20 0 HHADMP CN(c1ccccc1CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000531848156 1006468645 /nfs/dbraw/zinc/46/86/45/1006468645.db2.gz JQFGFTHNOCTXDZ-DEOSSOPVSA-N 2 1 420.645 3.871 20 0 HHADMP CN(c1ccccc1CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000531848156 1006468652 /nfs/dbraw/zinc/46/86/52/1006468652.db2.gz JQFGFTHNOCTXDZ-DEOSSOPVSA-N 2 1 420.645 3.871 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(Cl)c4cccnc34)c2)C1 ZINC000531866346 1006487028 /nfs/dbraw/zinc/48/70/28/1006487028.db2.gz PECHZLTZTYZTPC-HXUWFJFHSA-N 2 1 422.960 3.875 20 0 HHADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531932200 1006529507 /nfs/dbraw/zinc/52/95/07/1006529507.db2.gz IUDWJBBSKZDFHC-NQIIRXRSSA-N 2 1 414.619 3.606 20 0 HHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000531940063 1006533439 /nfs/dbraw/zinc/53/34/39/1006533439.db2.gz VBVODXQEUACHHX-OFNKIYASSA-N 2 1 409.574 3.877 20 0 HHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000531970815 1006552526 /nfs/dbraw/zinc/55/25/26/1006552526.db2.gz OOTXJXMXAXNXHI-OALUTQOASA-N 2 1 407.624 3.680 20 0 HHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000531970815 1006552538 /nfs/dbraw/zinc/55/25/38/1006552538.db2.gz OOTXJXMXAXNXHI-OALUTQOASA-N 2 1 407.624 3.680 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)NC(=O)NC1CCCCC1 ZINC000515756053 1006644172 /nfs/dbraw/zinc/64/41/72/1006644172.db2.gz GPJDDOLFIDPZMR-RTBURBONSA-N 2 1 414.594 3.698 20 0 HHADMP COc1ccc([C@H]([NH2+][C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000538392814 1006662614 /nfs/dbraw/zinc/66/26/14/1006662614.db2.gz OVCQSRVSQPNXCS-RVSNTGDXSA-N 2 1 407.558 3.515 20 0 HHADMP C[C@@H]1C[NH+](CC2CC[NH+](CC(=O)N[C@@H](c3cccs3)C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000532155695 1006679308 /nfs/dbraw/zinc/67/93/08/1006679308.db2.gz LQJOAGYNAJSJEF-HMFYCAOWSA-N 2 1 421.651 3.773 20 0 HHADMP C[C@H](CNC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)C[NH+]1CCCC1 ZINC000515837744 1006709636 /nfs/dbraw/zinc/70/96/36/1006709636.db2.gz JTCHNCCQRDPKBW-QHAWAJNXSA-N 2 1 400.611 3.696 20 0 HHADMP COc1ccc(-n2c(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)nc3ccccc32)cc1 ZINC000532474102 1006913525 /nfs/dbraw/zinc/91/35/25/1006913525.db2.gz GWTVSNKWJUKUSJ-UHFFFAOYSA-N 2 1 420.557 3.578 20 0 HHADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000516215021 1006951607 /nfs/dbraw/zinc/95/16/07/1006951607.db2.gz BTYSZFRNOMOMGW-KRWDZBQOSA-N 2 1 422.411 3.682 20 0 HHADMP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000532550001 1006981395 /nfs/dbraw/zinc/98/13/95/1006981395.db2.gz KQVXNBPSFRQMQT-KURKYZTESA-N 2 1 407.986 3.797 20 0 HHADMP CC(C)[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534971356 1007028031 /nfs/dbraw/zinc/02/80/31/1007028031.db2.gz NEQBLDXFNHGDFQ-OXQOHEQNSA-N 2 1 410.965 3.644 20 0 HHADMP C[C@@H]1CC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000538760099 1007044333 /nfs/dbraw/zinc/04/43/33/1007044333.db2.gz RFKPXPXBPDVMEE-OXQOHEQNSA-N 2 1 419.495 3.830 20 0 HHADMP C[C@@H]1CC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000538760099 1007044342 /nfs/dbraw/zinc/04/43/42/1007044342.db2.gz RFKPXPXBPDVMEE-OXQOHEQNSA-N 2 1 419.495 3.830 20 0 HHADMP Fc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)ccc1-n1cncn1 ZINC000538762505 1007047545 /nfs/dbraw/zinc/04/75/45/1007047545.db2.gz UBOGCVAEOAPCPG-UHFFFAOYSA-N 2 1 405.521 3.895 20 0 HHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000532628141 1007050443 /nfs/dbraw/zinc/05/04/43/1007050443.db2.gz AWPOPKPRWDLLIF-PKTZIBPZSA-N 2 1 418.532 3.625 20 0 HHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538854022 1007129005 /nfs/dbraw/zinc/12/90/05/1007129005.db2.gz LNPJXLKHCXVWNQ-HSZRJFAPSA-N 2 1 415.626 3.984 20 0 HHADMP COc1ccc([C@H](CNC(=O)NCC[N@@H+](C)Cc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000516609054 1007191143 /nfs/dbraw/zinc/19/11/43/1007191143.db2.gz LFEGDFBMJHDQSC-DEOSSOPVSA-N 2 1 424.589 3.653 20 0 HHADMP CCC1(CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000532813862 1007198710 /nfs/dbraw/zinc/19/87/10/1007198710.db2.gz JUYQMOTUHIFZJC-QFIPXVFZSA-N 2 1 400.611 3.662 20 0 HHADMP CCC1(CNC(=O)N2CCC[N@H+](C(C)C)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000532831981 1007215511 /nfs/dbraw/zinc/21/55/11/1007215511.db2.gz NHKMNRHRHKCKOL-UHFFFAOYSA-N 2 1 400.611 3.805 20 0 HHADMP CN(C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)c1nc2ccccc2s1 ZINC000538945596 1007230298 /nfs/dbraw/zinc/23/02/98/1007230298.db2.gz QIUAATNEDXCQFH-UHFFFAOYSA-N 2 1 423.586 3.893 20 0 HHADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000516765783 1007279838 /nfs/dbraw/zinc/27/98/38/1007279838.db2.gz QNJQKUUXHFLGTM-UNMCSNQZSA-N 2 1 413.537 3.974 20 0 HHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000539062580 1007355828 /nfs/dbraw/zinc/35/58/28/1007355828.db2.gz WPTDINBUUCWADK-CEXWTWQISA-N 2 1 409.368 3.630 20 0 HHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000539073093 1007363980 /nfs/dbraw/zinc/36/39/80/1007363980.db2.gz HXKPTDGYBZWDGT-HSALFYBXSA-N 2 1 400.567 3.539 20 0 HHADMP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000539075846 1007366737 /nfs/dbraw/zinc/36/67/37/1007366737.db2.gz LNWCPBRZKXFUSC-GOSISDBHSA-N 2 1 407.986 3.990 20 0 HHADMP CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000533064103 1007425756 /nfs/dbraw/zinc/42/57/56/1007425756.db2.gz XCBXUURCVJJIPJ-VWLOTQADSA-N 2 1 409.549 3.980 20 0 HHADMP CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000533064103 1007425759 /nfs/dbraw/zinc/42/57/59/1007425759.db2.gz XCBXUURCVJJIPJ-VWLOTQADSA-N 2 1 409.549 3.980 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000517140064 1007454263 /nfs/dbraw/zinc/45/42/63/1007454263.db2.gz BYJIOHNUJJBISX-HSZRJFAPSA-N 2 1 400.611 3.838 20 0 HHADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1nc2ccc(Cl)cc2n1C ZINC000539161353 1007460635 /nfs/dbraw/zinc/46/06/35/1007460635.db2.gz MNTYIJRMUIDZLG-DNVCBOLYSA-N 2 1 418.010 3.928 20 0 HHADMP CCC1(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000533153960 1007492532 /nfs/dbraw/zinc/49/25/32/1007492532.db2.gz QMDRRGRFVIRUPN-IFMALSPDSA-N 2 1 400.611 3.803 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cc(C2CCCCC2)n[nH]1 ZINC000535437605 1007500133 /nfs/dbraw/zinc/50/01/33/1007500133.db2.gz VAAOBUXLQYXETQ-UHFFFAOYSA-N 2 1 415.626 3.726 20 0 HHADMP CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000539266266 1007561609 /nfs/dbraw/zinc/56/16/09/1007561609.db2.gz YWLBEGISFMXPRO-MZKRTTBSSA-N 2 1 409.574 3.904 20 0 HHADMP COCC[N@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)[C@@H](C)c1ccccc1 ZINC000517324994 1007566857 /nfs/dbraw/zinc/56/68/57/1007566857.db2.gz GEPISCAJJCLVFD-QHCPKHFHSA-N 2 1 423.601 3.739 20 0 HHADMP COCC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)[C@@H](C)c1ccccc1 ZINC000517324994 1007566867 /nfs/dbraw/zinc/56/68/67/1007566867.db2.gz GEPISCAJJCLVFD-QHCPKHFHSA-N 2 1 423.601 3.739 20 0 HHADMP COCC[NH+](CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)[C@@H](C)c1ccccc1 ZINC000517324994 1007566872 /nfs/dbraw/zinc/56/68/72/1007566872.db2.gz GEPISCAJJCLVFD-QHCPKHFHSA-N 2 1 423.601 3.739 20 0 HHADMP COCC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)[C@@H](C)c1ccccc1 ZINC000517324994 1007566875 /nfs/dbraw/zinc/56/68/75/1007566875.db2.gz GEPISCAJJCLVFD-QHCPKHFHSA-N 2 1 423.601 3.739 20 0 HHADMP COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000533292360 1007606467 /nfs/dbraw/zinc/60/64/67/1007606467.db2.gz HGZJXEJTAIOOHD-GOSISDBHSA-N 2 1 422.013 3.592 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2ccc(C(=O)OC)o2)CC1 ZINC000539312053 1007610918 /nfs/dbraw/zinc/61/09/18/1007610918.db2.gz GQNCSJSLKXNASK-HZPDHXFCSA-N 2 1 403.498 3.759 20 0 HHADMP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000539363401 1007665663 /nfs/dbraw/zinc/66/56/63/1007665663.db2.gz VSMLVCFWJMMVCP-VQTJNVASSA-N 2 1 400.588 3.871 20 0 HHADMP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000539363401 1007665667 /nfs/dbraw/zinc/66/56/67/1007665667.db2.gz VSMLVCFWJMMVCP-VQTJNVASSA-N 2 1 400.588 3.871 20 0 HHADMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)CC1 ZINC000533408787 1007717259 /nfs/dbraw/zinc/71/72/59/1007717259.db2.gz HRXWOTLAYZJCGS-UHFFFAOYSA-N 2 1 409.578 3.740 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)CC1 ZINC000533408787 1007717271 /nfs/dbraw/zinc/71/72/71/1007717271.db2.gz HRXWOTLAYZJCGS-UHFFFAOYSA-N 2 1 409.578 3.740 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)NCCC[NH+]2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535703408 1007740695 /nfs/dbraw/zinc/74/06/95/1007740695.db2.gz ZMBHMIIQHATOPI-XLIONFOSSA-N 2 1 410.965 3.647 20 0 HHADMP CC(C)Oc1ccc([C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[NH+](C)C)cc1 ZINC000517613014 1007818974 /nfs/dbraw/zinc/81/89/74/1007818974.db2.gz RBUVQXTYDFFTIR-REWPJTCUSA-N 2 1 401.595 3.847 20 0 HHADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)cc1 ZINC000535839187 1007850286 /nfs/dbraw/zinc/85/02/86/1007850286.db2.gz OIPUKOXRUHPBCE-UHFFFAOYSA-N 2 1 420.344 3.804 20 0 HHADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000517643984 1007854766 /nfs/dbraw/zinc/85/47/66/1007854766.db2.gz AZRRVBFMNQOOTG-IBGZPJMESA-N 2 1 409.599 3.929 20 0 HHADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000517643984 1007854794 /nfs/dbraw/zinc/85/47/94/1007854794.db2.gz AZRRVBFMNQOOTG-IBGZPJMESA-N 2 1 409.599 3.929 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000517731797 1007935547 /nfs/dbraw/zinc/93/55/47/1007935547.db2.gz VQDAWEYIWAWVJH-CTNGQTDRSA-N 2 1 410.562 3.721 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000517731801 1007936762 /nfs/dbraw/zinc/93/67/62/1007936762.db2.gz VQDAWEYIWAWVJH-PZJWPPBQSA-N 2 1 410.562 3.721 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000535937357 1007967253 /nfs/dbraw/zinc/96/72/53/1007967253.db2.gz NHTXERMVWYFAIG-SFLYRZDNSA-N 2 1 412.622 3.660 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1F ZINC000517806591 1007982666 /nfs/dbraw/zinc/98/26/66/1007982666.db2.gz QQHWTPSOOHXFMH-OPAMFIHVSA-N 2 1 401.530 3.630 20 0 HHADMP COc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)[NH+]2CCCCC2)cc1 ZINC000517884297 1008028517 /nfs/dbraw/zinc/02/85/17/1008028517.db2.gz NVNBHBXJHNEJAY-NZQKXSOJSA-N 2 1 416.610 3.642 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)C1 ZINC000517912311 1008053191 /nfs/dbraw/zinc/05/31/91/1008053191.db2.gz YTXLTSAKVHLNFI-NFBKMPQASA-N 2 1 400.611 3.981 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1 ZINC000517912311 1008053199 /nfs/dbraw/zinc/05/31/99/1008053199.db2.gz YTXLTSAKVHLNFI-NFBKMPQASA-N 2 1 400.611 3.981 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000517912311 1008053208 /nfs/dbraw/zinc/05/32/08/1008053208.db2.gz YTXLTSAKVHLNFI-NFBKMPQASA-N 2 1 400.611 3.981 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000536047511 1008079773 /nfs/dbraw/zinc/07/97/73/1008079773.db2.gz JEKJEEROPHKUCO-CKUXNOBLSA-N 2 1 406.574 3.868 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000536047511 1008079779 /nfs/dbraw/zinc/07/97/79/1008079779.db2.gz JEKJEEROPHKUCO-CKUXNOBLSA-N 2 1 406.574 3.868 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC[NH+]1Cc1ccccc1 ZINC000536047511 1008079785 /nfs/dbraw/zinc/07/97/85/1008079785.db2.gz JEKJEEROPHKUCO-CKUXNOBLSA-N 2 1 406.574 3.868 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC[NH+]1Cc1ccccc1 ZINC000536047511 1008079789 /nfs/dbraw/zinc/07/97/89/1008079789.db2.gz JEKJEEROPHKUCO-CKUXNOBLSA-N 2 1 406.574 3.868 20 0 HHADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)N2CCC[NH+](CCCc3ccccc3)CC2)C1 ZINC000536050535 1008082142 /nfs/dbraw/zinc/08/21/42/1008082142.db2.gz NIIWPIRXOHLMFG-DEOSSOPVSA-N 2 1 406.574 3.523 20 0 HHADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)N2CCC[NH+](CCCc3ccccc3)CC2)C1 ZINC000536050535 1008082145 /nfs/dbraw/zinc/08/21/45/1008082145.db2.gz NIIWPIRXOHLMFG-DEOSSOPVSA-N 2 1 406.574 3.523 20 0 HHADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)C1 ZINC000536050535 1008082148 /nfs/dbraw/zinc/08/21/48/1008082148.db2.gz NIIWPIRXOHLMFG-DEOSSOPVSA-N 2 1 406.574 3.523 20 0 HHADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)C1 ZINC000536050535 1008082153 /nfs/dbraw/zinc/08/21/53/1008082153.db2.gz NIIWPIRXOHLMFG-DEOSSOPVSA-N 2 1 406.574 3.523 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H](c4nccn4C)C3)cc2)C1 ZINC000533768231 1008093898 /nfs/dbraw/zinc/09/38/98/1008093898.db2.gz SGFUWHMSBURWRK-XQBPLPMBSA-N 2 1 409.578 3.597 20 0 HHADMP CC[NH+](CC)CCOc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000536100533 1008124934 /nfs/dbraw/zinc/12/49/34/1008124934.db2.gz VWNHIRNWKMZRRP-UPVQGACJSA-N 2 1 424.589 3.652 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000518064977 1008139887 /nfs/dbraw/zinc/13/98/87/1008139887.db2.gz SZDLKNYFTHCJII-IMSXRSKXSA-N 2 1 412.622 3.934 20 0 HHADMP CC[C@H](NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1c(C)noc1C ZINC000533848968 1008155164 /nfs/dbraw/zinc/15/51/64/1008155164.db2.gz VTZITUCOLMYNRB-NRFANRHFSA-N 2 1 419.614 3.580 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)[NH+]1CCCC1 ZINC000533958644 1008233658 /nfs/dbraw/zinc/23/36/58/1008233658.db2.gz ZJNQDZAVJJXING-FIXSFTCYSA-N 2 1 422.573 3.577 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540013138 1008236746 /nfs/dbraw/zinc/23/67/46/1008236746.db2.gz FIJAHTMPBWBXMQ-NRFANRHFSA-N 2 1 415.626 3.984 20 0 HHADMP CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000540043019 1008252953 /nfs/dbraw/zinc/25/29/53/1008252953.db2.gz PGXPNRIOVUPJAP-SFHVURJKSA-N 2 1 408.546 3.850 20 0 HHADMP CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000540043019 1008252956 /nfs/dbraw/zinc/25/29/56/1008252956.db2.gz PGXPNRIOVUPJAP-SFHVURJKSA-N 2 1 408.546 3.850 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NC[C@@H](C(C)C)[NH+]3CCC(C)CC3)CC2)cs1 ZINC000518311551 1008254645 /nfs/dbraw/zinc/25/46/45/1008254645.db2.gz VKWRVBNFJJITCB-NRFANRHFSA-N 2 1 406.640 3.536 20 0 HHADMP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045553 1008254882 /nfs/dbraw/zinc/25/48/82/1008254882.db2.gz RCHOOKGJSKCTHX-GOSISDBHSA-N 2 1 414.981 3.978 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)COCc1ccccc1Cl ZINC000540046396 1008255616 /nfs/dbraw/zinc/25/56/16/1008255616.db2.gz AMYYPQNDONHDGH-JOCHJYFZSA-N 2 1 417.981 3.851 20 0 HHADMP C[C@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000518444997 1008309375 /nfs/dbraw/zinc/30/93/75/1008309375.db2.gz NROFPCCYJCWQCF-LJQANCHMSA-N 2 1 414.619 3.780 20 0 HHADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)[C@@H](C)C1 ZINC000540170153 1008320698 /nfs/dbraw/zinc/32/06/98/1008320698.db2.gz WKHRVFFDLVOOHE-GBXCKJPGSA-N 2 1 409.574 3.875 20 0 HHADMP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000540171898 1008321520 /nfs/dbraw/zinc/32/15/20/1008321520.db2.gz GLINUQJUWBDNGF-ZACQAIPSSA-N 2 1 415.500 3.902 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000540204114 1008334744 /nfs/dbraw/zinc/33/47/44/1008334744.db2.gz KKTHKURJUPMKCL-GOTSBHOMSA-N 2 1 401.570 3.584 20 0 HHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3cc(-c4ccc(F)cc4)no3)CC2)C[C@H](C)O1 ZINC000540245249 1008350695 /nfs/dbraw/zinc/35/06/95/1008350695.db2.gz PZMFSLOLFJXFRQ-HDICACEKSA-N 2 1 417.525 3.571 20 0 HHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3cc(-c4ccc(F)cc4)no3)CC2)C[C@H](C)O1 ZINC000540245249 1008350698 /nfs/dbraw/zinc/35/06/98/1008350698.db2.gz PZMFSLOLFJXFRQ-HDICACEKSA-N 2 1 417.525 3.571 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000540264837 1008360530 /nfs/dbraw/zinc/36/05/30/1008360530.db2.gz LWTQDPYBCXTATN-QZTJIDSGSA-N 2 1 401.576 3.559 20 0 HHADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000518623355 1008369038 /nfs/dbraw/zinc/36/90/38/1008369038.db2.gz FPFQQNJDEXNDIA-PZJWPPBQSA-N 2 1 415.603 3.548 20 0 HHADMP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000518840783 1008440736 /nfs/dbraw/zinc/44/07/36/1008440736.db2.gz HKGRFKWVBLHWJN-OAQYLSRUSA-N 2 1 407.002 3.678 20 0 HHADMP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000518840783 1008440738 /nfs/dbraw/zinc/44/07/38/1008440738.db2.gz HKGRFKWVBLHWJN-OAQYLSRUSA-N 2 1 407.002 3.678 20 0 HHADMP COc1ccccc1[C@@H]1CC[N@@H+](CC(=O)N2CCC[NH+](Cc3ccc(C)cc3)CC2)C1 ZINC000540551002 1008477711 /nfs/dbraw/zinc/47/77/11/1008477711.db2.gz WDRGYGCCLDXHDN-HSZRJFAPSA-N 2 1 421.585 3.527 20 0 HHADMP COc1ccccc1[C@@H]1CC[NH+](CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)C1 ZINC000540551002 1008477714 /nfs/dbraw/zinc/47/77/14/1008477714.db2.gz WDRGYGCCLDXHDN-HSZRJFAPSA-N 2 1 421.585 3.527 20 0 HHADMP COc1ccccc1[C@@H]1CC[NH+](CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)C1 ZINC000540551002 1008477718 /nfs/dbraw/zinc/47/77/18/1008477718.db2.gz WDRGYGCCLDXHDN-HSZRJFAPSA-N 2 1 421.585 3.527 20 0 HHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C(=O)N3CCCCC3)c3ccccc3)CC2)oc1C ZINC000518979056 1008493714 /nfs/dbraw/zinc/49/37/14/1008493714.db2.gz SHTMOYYFNWARNX-DEOSSOPVSA-N 2 1 424.589 3.847 20 0 HHADMP Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)N(C)C2CC[NH+](C)CC2)c1 ZINC000548988189 1008564539 /nfs/dbraw/zinc/56/45/39/1008564539.db2.gz WKPXJSLDXFNDTC-RPBOFIJWSA-N 2 1 405.586 3.763 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000545473268 1008579902 /nfs/dbraw/zinc/57/99/02/1008579902.db2.gz DKRHGWPIVVFPKX-QFIPXVFZSA-N 2 1 411.933 3.751 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000549034435 1008602587 /nfs/dbraw/zinc/60/25/87/1008602587.db2.gz QXMGGSVPWQQUHH-DEOSSOPVSA-N 2 1 406.574 3.804 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000549036132 1008604281 /nfs/dbraw/zinc/60/42/81/1008604281.db2.gz OYKITXJBJCEVSV-KNQAVFIVSA-N 2 1 401.595 3.503 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000549054744 1008621007 /nfs/dbraw/zinc/62/10/07/1008621007.db2.gz NBCFDHIJNHWOAK-ZKMPZPQNSA-N 2 1 420.601 3.684 20 0 HHADMP CC(C)[NH+]1CC[C@@H](CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000549054744 1008621014 /nfs/dbraw/zinc/62/10/14/1008621014.db2.gz NBCFDHIJNHWOAK-ZKMPZPQNSA-N 2 1 420.601 3.684 20 0 HHADMP CC(C)[NH+]1CC[C@@H](CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000549054744 1008621020 /nfs/dbraw/zinc/62/10/20/1008621020.db2.gz NBCFDHIJNHWOAK-ZKMPZPQNSA-N 2 1 420.601 3.684 20 0 HHADMP CC[NH+](CC)CCNC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549102317 1008667550 /nfs/dbraw/zinc/66/75/50/1008667550.db2.gz GBLVVGQXMDOIHC-VCYXJBJXSA-N 2 1 407.002 3.895 20 0 HHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCN1C(=O)c2ccccc2C1=O ZINC000549166659 1008739580 /nfs/dbraw/zinc/73/95/80/1008739580.db2.gz SSRZTDKVRXJGIH-HSZRJFAPSA-N 2 1 419.569 3.953 20 0 HHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCN1C(=O)c2ccccc2C1=O ZINC000549166659 1008739593 /nfs/dbraw/zinc/73/95/93/1008739593.db2.gz SSRZTDKVRXJGIH-HSZRJFAPSA-N 2 1 419.569 3.953 20 0 HHADMP O=C(N[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000519362200 1008761460 /nfs/dbraw/zinc/76/14/60/1008761460.db2.gz WHBOSQZRDMDRLE-LADGPHEKSA-N 2 1 409.549 3.819 20 0 HHADMP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000519362200 1008761471 /nfs/dbraw/zinc/76/14/71/1008761471.db2.gz WHBOSQZRDMDRLE-LADGPHEKSA-N 2 1 409.549 3.819 20 0 HHADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000519362200 1008761479 /nfs/dbraw/zinc/76/14/79/1008761479.db2.gz WHBOSQZRDMDRLE-LADGPHEKSA-N 2 1 409.549 3.819 20 0 HHADMP Cc1ccc([C@@H]2CC[N@@H+](CC(=O)Nc3cccc(C[NH+]4CCSCC4)c3)C2)cc1 ZINC000543248886 1008817023 /nfs/dbraw/zinc/81/70/23/1008817023.db2.gz GXPJYTNRPUDUOV-JOCHJYFZSA-N 2 1 409.599 3.972 20 0 HHADMP Cc1nn(-c2ccccn2)c(C)c1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000549406964 1008994091 /nfs/dbraw/zinc/99/40/91/1008994091.db2.gz WEBSJMDLXVOOKX-UHFFFAOYSA-N 2 1 424.637 3.512 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000545954388 1009017240 /nfs/dbraw/zinc/01/72/40/1009017240.db2.gz BLQHPYXTOMYXSW-YYDVJCTNSA-N 2 1 405.542 3.561 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000545954388 1009017256 /nfs/dbraw/zinc/01/72/56/1009017256.db2.gz BLQHPYXTOMYXSW-YYDVJCTNSA-N 2 1 405.542 3.561 20 0 HHADMP COc1cccc2c1CCC[C@H]2[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000519862928 1009039700 /nfs/dbraw/zinc/03/97/00/1009039700.db2.gz JEAAZKMLSRZTJV-NFBKMPQASA-N 2 1 407.558 3.560 20 0 HHADMP CC[C@H](CNC(=O)NCc1cccc(C[N@@H+](C)CC)c1)[NH+]1CCc2ccccc2C1 ZINC000519934072 1009088387 /nfs/dbraw/zinc/08/83/87/1009088387.db2.gz ISUQVYIRKPYLMM-XMMPIXPASA-N 2 1 408.590 3.774 20 0 HHADMP CC[C@H](CNC(=O)NCc1cccc(C[NH+](C)CC)c1)[N@@H+]1CCc2ccccc2C1 ZINC000519934072 1009088399 /nfs/dbraw/zinc/08/83/99/1009088399.db2.gz ISUQVYIRKPYLMM-XMMPIXPASA-N 2 1 408.590 3.774 20 0 HHADMP CC[C@H](CNC(=O)NCc1cccc(C[NH+](C)CC)c1)[N@H+]1CCc2ccccc2C1 ZINC000519934072 1009088414 /nfs/dbraw/zinc/08/84/14/1009088414.db2.gz ISUQVYIRKPYLMM-XMMPIXPASA-N 2 1 408.590 3.774 20 0 HHADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000519988643 1009136173 /nfs/dbraw/zinc/13/61/73/1009136173.db2.gz DKDNBTVKORILME-DEOSSOPVSA-N 2 1 408.590 3.815 20 0 HHADMP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000543628040 1009234086 /nfs/dbraw/zinc/23/40/86/1009234086.db2.gz JSAHCHDPGSNJEX-SJBKTWHCSA-N 2 1 400.588 3.739 20 0 HHADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000543639404 1009243043 /nfs/dbraw/zinc/24/30/43/1009243043.db2.gz ITULZIVSARFXLX-WOJBJXKFSA-N 2 1 400.611 3.790 20 0 HHADMP C[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[NH+]1CCc2ccccc2C1 ZINC000520106743 1009263331 /nfs/dbraw/zinc/26/33/31/1009263331.db2.gz CWDPLFHLZXZWLY-XXBNENTESA-N 2 1 409.549 3.601 20 0 HHADMP C[C@H](CNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000520106743 1009263348 /nfs/dbraw/zinc/26/33/48/1009263348.db2.gz CWDPLFHLZXZWLY-XXBNENTESA-N 2 1 409.549 3.601 20 0 HHADMP C[C@H](CNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1)[N@H+]1CCc2ccccc2C1 ZINC000520106743 1009263363 /nfs/dbraw/zinc/26/33/63/1009263363.db2.gz CWDPLFHLZXZWLY-XXBNENTESA-N 2 1 409.549 3.601 20 0 HHADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000549688753 1009318170 /nfs/dbraw/zinc/31/81/70/1009318170.db2.gz UBFSFUGLDZDRSF-XUVXKRRUSA-N 2 1 407.624 3.528 20 0 HHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cccc(OCC(F)(F)F)c2)c2cccs2)CC1 ZINC000520190001 1009331013 /nfs/dbraw/zinc/33/10/13/1009331013.db2.gz FEQWLEFADQXICX-GOSISDBHSA-N 2 1 413.509 3.768 20 0 HHADMP C[C@@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000520207939 1009342563 /nfs/dbraw/zinc/34/25/63/1009342563.db2.gz HOADTKAGINHPBK-MJGOQNOKSA-N 2 1 414.981 3.773 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NCCCCC[NH+]3CCCCC3)cc2)C[C@@H](C)O1 ZINC000520337503 1009471782 /nfs/dbraw/zinc/47/17/82/1009471782.db2.gz YCMRQPUYJSJMKZ-NHCUHLMSSA-N 2 1 401.595 3.682 20 0 HHADMP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000520377838 1009513965 /nfs/dbraw/zinc/51/39/65/1009513965.db2.gz RGEQXJILCXWXQU-LJQANCHMSA-N 2 1 412.553 3.610 20 0 HHADMP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000546659940 1009659342 /nfs/dbraw/zinc/65/93/42/1009659342.db2.gz DPYPQDPBFDJWNM-OALUTQOASA-N 2 1 405.542 3.876 20 0 HHADMP COCCOc1ccccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550263072 1009814250 /nfs/dbraw/zinc/81/42/50/1009814250.db2.gz VQSDHBARLRGKQI-DEOSSOPVSA-N 2 1 424.585 3.730 20 0 HHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nnc(-c4cccc(Cl)c4)o3)CC2)C[C@@H](C)O1 ZINC000520747740 1009817007 /nfs/dbraw/zinc/81/70/07/1009817007.db2.gz VLVQAKPEOXWDCW-HZPDHXFCSA-N 2 1 404.942 3.711 20 0 HHADMP Cc1cc(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)n(C2CC[NH+](C)CC2)n1 ZINC000544279810 1009897316 /nfs/dbraw/zinc/89/73/16/1009897316.db2.gz IQCYOIUWMJCZMS-LJQANCHMSA-N 2 1 424.593 3.904 20 0 HHADMP C[C@H](CNC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000520842987 1009897577 /nfs/dbraw/zinc/89/75/77/1009897577.db2.gz BJXHLQHFNWGJDI-REHUZNOOSA-N 2 1 406.574 3.568 20 0 HHADMP C[C@H](CNC(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000520842987 1009897591 /nfs/dbraw/zinc/89/75/91/1009897591.db2.gz BJXHLQHFNWGJDI-REHUZNOOSA-N 2 1 406.574 3.568 20 0 HHADMP C[C@H](CNC(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000520842987 1009897607 /nfs/dbraw/zinc/89/76/07/1009897607.db2.gz BJXHLQHFNWGJDI-REHUZNOOSA-N 2 1 406.574 3.568 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H](c3ccc(C)cc3)[NH+](C)C)CC2)cc1 ZINC000520935456 1009990391 /nfs/dbraw/zinc/99/03/91/1009990391.db2.gz BTMISSHGDSTWLO-XMMPIXPASA-N 2 1 424.589 3.524 20 0 HHADMP C[N@H+]1CCN(CCC[NH2+]Cc2c(F)cccc2N2CCCC2)[C@@H](c2ccccc2)C1 ZINC000520952014 1010002865 /nfs/dbraw/zinc/00/28/65/1010002865.db2.gz BNWMEWKBATYFQD-RUZDIDTESA-N 2 1 410.581 3.894 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544422031 1010043155 /nfs/dbraw/zinc/04/31/55/1010043155.db2.gz QFBYDDVGSZLVQQ-PXNSSMCTSA-N 2 1 409.578 3.670 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544422031 1010043177 /nfs/dbraw/zinc/04/31/77/1010043177.db2.gz QFBYDDVGSZLVQQ-PXNSSMCTSA-N 2 1 409.578 3.670 20 0 HHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544424479 1010047009 /nfs/dbraw/zinc/04/70/09/1010047009.db2.gz MRSSQRDRZWTQDW-KGLIPLIRSA-N 2 1 423.483 3.763 20 0 HHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544424479 1010047024 /nfs/dbraw/zinc/04/70/24/1010047024.db2.gz MRSSQRDRZWTQDW-KGLIPLIRSA-N 2 1 423.483 3.763 20 0 HHADMP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000521061947 1010082180 /nfs/dbraw/zinc/08/21/80/1010082180.db2.gz TWJQTVZSQKBMQI-NRFANRHFSA-N 2 1 420.960 3.855 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000521067534 1010086162 /nfs/dbraw/zinc/08/61/62/1010086162.db2.gz XZPJCZGQZXTZOW-QGZVFWFLSA-N 2 1 414.516 3.511 20 0 HHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2Br)C[C@@H]1c1ccccc1 ZINC000550700186 1010110768 /nfs/dbraw/zinc/11/07/68/1010110768.db2.gz TYRYOGYELLILPZ-CMKODMSKSA-N 2 1 419.363 3.614 20 0 HHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2Br)C[C@@H]1c1ccccc1 ZINC000550700186 1010110773 /nfs/dbraw/zinc/11/07/73/1010110773.db2.gz TYRYOGYELLILPZ-CMKODMSKSA-N 2 1 419.363 3.614 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(-c2nc(-c3cc(N4CC[NH+](C)CC4)ccn3)no2)cc1 ZINC000547218580 1010164482 /nfs/dbraw/zinc/16/44/82/1010164482.db2.gz IPGWLFIZTAYVLU-UHFFFAOYSA-N 2 1 420.561 3.782 20 0 HHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000550785193 1010174527 /nfs/dbraw/zinc/17/45/27/1010174527.db2.gz PPLSFDUXZZWWMU-NVXWUHKLSA-N 2 1 407.377 3.854 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC000521323082 1010304872 /nfs/dbraw/zinc/30/48/72/1010304872.db2.gz AZWYLHOUKAZQQN-DHIUTWEWSA-N 2 1 400.611 3.708 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000521323082 1010304884 /nfs/dbraw/zinc/30/48/84/1010304884.db2.gz AZWYLHOUKAZQQN-DHIUTWEWSA-N 2 1 400.611 3.708 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000521323082 1010304895 /nfs/dbraw/zinc/30/48/95/1010304895.db2.gz AZWYLHOUKAZQQN-DHIUTWEWSA-N 2 1 400.611 3.708 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC000521323085 1010305070 /nfs/dbraw/zinc/30/50/70/1010305070.db2.gz AZWYLHOUKAZQQN-XZOQPEGZSA-N 2 1 400.611 3.708 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000521323085 1010305085 /nfs/dbraw/zinc/30/50/85/1010305085.db2.gz AZWYLHOUKAZQQN-XZOQPEGZSA-N 2 1 400.611 3.708 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000521323085 1010305101 /nfs/dbraw/zinc/30/51/01/1010305101.db2.gz AZWYLHOUKAZQQN-XZOQPEGZSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547505543 1010332281 /nfs/dbraw/zinc/33/22/81/1010332281.db2.gz TYFCKQDKIUTYAK-BWKNWUBXSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[NH+](CC4CCCCC4)CC3)cc2)C[C@@H](C)O1 ZINC000521508392 1010422691 /nfs/dbraw/zinc/42/26/91/1010422691.db2.gz NNVDWMFPFNUSBK-NHCUHLMSSA-N 2 1 413.606 3.634 20 0 HHADMP C[C@H]([NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547828482 1010441540 /nfs/dbraw/zinc/44/15/40/1010441540.db2.gz LKSHPDJWVHURAI-GRYUFTJMSA-N 2 1 411.565 3.699 20 0 HHADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c(F)cn1 ZINC000551258312 1010474914 /nfs/dbraw/zinc/47/49/14/1010474914.db2.gz FQDIKXGCCJSQJM-UYAOXDASSA-N 2 1 413.537 3.809 20 0 HHADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c(F)cn1 ZINC000551258312 1010474922 /nfs/dbraw/zinc/47/49/22/1010474922.db2.gz FQDIKXGCCJSQJM-UYAOXDASSA-N 2 1 413.537 3.809 20 0 HHADMP CCNC(=O)COc1cccc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000551309480 1010508049 /nfs/dbraw/zinc/50/80/49/1010508049.db2.gz UTNMEQTVTNKORT-UHFFFAOYSA-N 2 1 409.574 3.734 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000521686015 1010550020 /nfs/dbraw/zinc/55/00/20/1010550020.db2.gz VGTSZPSLMOSVNJ-WMZHIEFXSA-N 2 1 412.553 3.734 20 0 HHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)C1 ZINC000521687297 1010551845 /nfs/dbraw/zinc/55/18/45/1010551845.db2.gz KPYWWZSNENJQCH-QGZVFWFLSA-N 2 1 410.553 3.549 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000548295695 1010584564 /nfs/dbraw/zinc/58/45/64/1010584564.db2.gz UGULYIMEFJDLDZ-VWLOTQADSA-N 2 1 406.574 3.777 20 0 HHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000521770410 1010604843 /nfs/dbraw/zinc/60/48/43/1010604843.db2.gz CPPASIHKLUSUIY-XZOQPEGZSA-N 2 1 400.611 3.505 20 0 HHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000521770410 1010604847 /nfs/dbraw/zinc/60/48/47/1010604847.db2.gz CPPASIHKLUSUIY-XZOQPEGZSA-N 2 1 400.611 3.505 20 0 HHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000521770410 1010604855 /nfs/dbraw/zinc/60/48/55/1010604855.db2.gz CPPASIHKLUSUIY-XZOQPEGZSA-N 2 1 400.611 3.505 20 0 HHADMP C[N@@H+](CCN1CC[NH+](CCCOc2ccc(Cl)cc2)CC1)Cc1ccccc1 ZINC000521803426 1010630736 /nfs/dbraw/zinc/63/07/36/1010630736.db2.gz ALFGJSRJPVMKFJ-UHFFFAOYSA-N 2 1 401.982 3.859 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCN1C(=O)c2ccccc2C1=O ZINC000548487505 1010643430 /nfs/dbraw/zinc/64/34/30/1010643430.db2.gz IAXXYSLDOSNDRJ-CVDCTZTESA-N 2 1 405.542 3.563 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCN1C(=O)c2ccccc2C1=O ZINC000548487505 1010643442 /nfs/dbraw/zinc/64/34/42/1010643442.db2.gz IAXXYSLDOSNDRJ-CVDCTZTESA-N 2 1 405.542 3.563 20 0 HHADMP CC[NH+](CC)CC1CC[NH+](Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000521853484 1010662060 /nfs/dbraw/zinc/66/20/60/1010662060.db2.gz ZJFJXUSPEVHCKF-UHFFFAOYSA-N 2 1 421.383 3.977 20 0 HHADMP C[C@H]([NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548773958 1010727303 /nfs/dbraw/zinc/72/73/03/1010727303.db2.gz CHJOINPLCKEZMH-OAFYVUHTSA-N 2 1 408.586 3.942 20 0 HHADMP Cc1cc(CNC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1Cl ZINC000545333811 1010733336 /nfs/dbraw/zinc/73/33/36/1010733336.db2.gz IZHXURONUWHDAO-UHFFFAOYSA-N 2 1 421.029 3.986 20 0 HHADMP C[C@H](CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000545340143 1010737925 /nfs/dbraw/zinc/73/79/25/1010737925.db2.gz VEESFKLJWKKEIY-HXUWFJFHSA-N 2 1 400.611 3.628 20 0 HHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000548903663 1010756087 /nfs/dbraw/zinc/75/60/87/1010756087.db2.gz PKBXSDVWMFPNAK-GBXCKJPGSA-N 2 1 409.574 3.548 20 0 HHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000548903663 1010756092 /nfs/dbraw/zinc/75/60/92/1010756092.db2.gz PKBXSDVWMFPNAK-GBXCKJPGSA-N 2 1 409.574 3.548 20 0 HHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000522048949 1010778250 /nfs/dbraw/zinc/77/82/50/1010778250.db2.gz HSRBPTIWPJAPJF-FYYLOGMGSA-N 2 1 414.638 3.751 20 0 HHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000522048949 1010778258 /nfs/dbraw/zinc/77/82/58/1010778258.db2.gz HSRBPTIWPJAPJF-FYYLOGMGSA-N 2 1 414.638 3.751 20 0 HHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000522048949 1010778262 /nfs/dbraw/zinc/77/82/62/1010778262.db2.gz HSRBPTIWPJAPJF-FYYLOGMGSA-N 2 1 414.638 3.751 20 0 HHADMP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H]4CCC[N@@H+]4Cc4ccccc43)cc2F)CC1 ZINC000522202467 1010862822 /nfs/dbraw/zinc/86/28/22/1010862822.db2.gz AWKZGEGOCUUQOX-NRFANRHFSA-N 2 1 422.548 3.592 20 0 HHADMP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H]4CCC[N@H+]4Cc4ccccc43)cc2F)CC1 ZINC000522202467 1010862823 /nfs/dbraw/zinc/86/28/23/1010862823.db2.gz AWKZGEGOCUUQOX-NRFANRHFSA-N 2 1 422.548 3.592 20 0 HHADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000522444284 1011015845 /nfs/dbraw/zinc/01/58/45/1011015845.db2.gz MGHMHHQRYCLEBV-LJQANCHMSA-N 2 1 407.002 3.535 20 0 HHADMP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC000522444478 1011015927 /nfs/dbraw/zinc/01/59/27/1011015927.db2.gz UJLAYLCMBRRANQ-FPOVZHCZSA-N 2 1 407.002 3.678 20 0 HHADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC000522444478 1011015935 /nfs/dbraw/zinc/01/59/35/1011015935.db2.gz UJLAYLCMBRRANQ-FPOVZHCZSA-N 2 1 407.002 3.678 20 0 HHADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000522444478 1011015940 /nfs/dbraw/zinc/01/59/40/1011015940.db2.gz UJLAYLCMBRRANQ-FPOVZHCZSA-N 2 1 407.002 3.678 20 0 HHADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000522444478 1011015954 /nfs/dbraw/zinc/01/59/54/1011015954.db2.gz UJLAYLCMBRRANQ-FPOVZHCZSA-N 2 1 407.002 3.678 20 0 HHADMP CCN(CC)C(=O)[C@@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)c1ccccc1 ZINC000522546639 1011072970 /nfs/dbraw/zinc/07/29/70/1011072970.db2.gz XFYPRTJNDJOBRG-QHCPKHFHSA-N 2 1 412.578 3.703 20 0 HHADMP C[C@H](c1ccc(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1)[NH+]1CCOCC1 ZINC000522786992 1011221633 /nfs/dbraw/zinc/22/16/33/1011221633.db2.gz ZOUZYFUCLJGLQK-KNQAVFIVSA-N 2 1 400.567 3.562 20 0 HHADMP COc1ccc([C@H]([NH2+]CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C2CC2)cc1 ZINC000540589278 1011244555 /nfs/dbraw/zinc/24/45/55/1011244555.db2.gz UKZWCWHEAKABBD-KBMIEXCESA-N 2 1 407.558 3.641 20 0 HHADMP CC[C@@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)c1ccc(OC)cc1 ZINC000540590357 1011246036 /nfs/dbraw/zinc/24/60/36/1011246036.db2.gz JRWGNGFUSYZRFC-XMMPIXPASA-N 2 1 409.574 3.779 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000522828265 1011263770 /nfs/dbraw/zinc/26/37/70/1011263770.db2.gz WFWRKTUBWOLURI-OFVILXPXSA-N 2 1 420.601 3.842 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000522828265 1011263780 /nfs/dbraw/zinc/26/37/80/1011263780.db2.gz WFWRKTUBWOLURI-OFVILXPXSA-N 2 1 420.601 3.842 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000522828265 1011263799 /nfs/dbraw/zinc/26/37/99/1011263799.db2.gz WFWRKTUBWOLURI-OFVILXPXSA-N 2 1 420.601 3.842 20 0 HHADMP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)CC[C@@H]21 ZINC000540667341 1011321393 /nfs/dbraw/zinc/32/13/93/1011321393.db2.gz DBYLCSYPMLTFSU-HOJAQTOUSA-N 2 1 409.496 3.613 20 0 HHADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)CC[C@@H]21 ZINC000540667341 1011321400 /nfs/dbraw/zinc/32/14/00/1011321400.db2.gz DBYLCSYPMLTFSU-HOJAQTOUSA-N 2 1 409.496 3.613 20 0 HHADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)CC[C@@H]21 ZINC000540667341 1011321410 /nfs/dbraw/zinc/32/14/10/1011321410.db2.gz DBYLCSYPMLTFSU-HOJAQTOUSA-N 2 1 409.496 3.613 20 0 HHADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)CC[C@@H]21 ZINC000540667341 1011321419 /nfs/dbraw/zinc/32/14/19/1011321419.db2.gz DBYLCSYPMLTFSU-HOJAQTOUSA-N 2 1 409.496 3.613 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000536192733 1011333686 /nfs/dbraw/zinc/33/36/86/1011333686.db2.gz OZOWKQNMQDGAFC-QPTUXGOLSA-N 2 1 406.574 3.595 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000536192733 1011333696 /nfs/dbraw/zinc/33/36/96/1011333696.db2.gz OZOWKQNMQDGAFC-QPTUXGOLSA-N 2 1 406.574 3.595 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000536192733 1011333706 /nfs/dbraw/zinc/33/37/06/1011333706.db2.gz OZOWKQNMQDGAFC-QPTUXGOLSA-N 2 1 406.574 3.595 20 0 HHADMP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000536230705 1011379891 /nfs/dbraw/zinc/37/98/91/1011379891.db2.gz CUWURGLMIKVDJW-RTBURBONSA-N 2 1 414.516 3.738 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000536231435 1011380391 /nfs/dbraw/zinc/38/03/91/1011380391.db2.gz GCGPJPXDNKJSDA-SMIHKQSGSA-N 2 1 421.589 3.523 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000536231435 1011380401 /nfs/dbraw/zinc/38/04/01/1011380401.db2.gz GCGPJPXDNKJSDA-SMIHKQSGSA-N 2 1 421.589 3.523 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000536231435 1011380411 /nfs/dbraw/zinc/38/04/11/1011380411.db2.gz GCGPJPXDNKJSDA-SMIHKQSGSA-N 2 1 421.589 3.523 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)cc1)C1CC1 ZINC000523065227 1011535088 /nfs/dbraw/zinc/53/50/88/1011535088.db2.gz NKWAPBJFULBBMS-UHFFFAOYSA-N 2 1 406.574 3.671 20 0 HHADMP CC[N@H+](Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1)C1CC1 ZINC000523065227 1011535103 /nfs/dbraw/zinc/53/51/03/1011535103.db2.gz NKWAPBJFULBBMS-UHFFFAOYSA-N 2 1 406.574 3.671 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1)C1CC1 ZINC000523065227 1011535119 /nfs/dbraw/zinc/53/51/19/1011535119.db2.gz NKWAPBJFULBBMS-UHFFFAOYSA-N 2 1 406.574 3.671 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540865791 1011542846 /nfs/dbraw/zinc/54/28/46/1011542846.db2.gz LUXBCDDGCNZIGC-HRQSHJORSA-N 2 1 422.976 3.881 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540865791 1011542861 /nfs/dbraw/zinc/54/28/61/1011542861.db2.gz LUXBCDDGCNZIGC-HRQSHJORSA-N 2 1 422.976 3.881 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540865791 1011542874 /nfs/dbraw/zinc/54/28/74/1011542874.db2.gz LUXBCDDGCNZIGC-HRQSHJORSA-N 2 1 422.976 3.881 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540865791 1011542887 /nfs/dbraw/zinc/54/28/87/1011542887.db2.gz LUXBCDDGCNZIGC-HRQSHJORSA-N 2 1 422.976 3.881 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000536356278 1011564067 /nfs/dbraw/zinc/56/40/67/1011564067.db2.gz QBOJHILILPQPBC-RTWAWAEBSA-N 2 1 407.002 3.849 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000536356278 1011564078 /nfs/dbraw/zinc/56/40/78/1011564078.db2.gz QBOJHILILPQPBC-RTWAWAEBSA-N 2 1 407.002 3.849 20 0 HHADMP CCCO[C@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000536378696 1011586610 /nfs/dbraw/zinc/58/66/10/1011586610.db2.gz QDGUEFOSKINXET-UGKGYDQZSA-N 2 1 422.013 3.874 20 0 HHADMP CCCO[C@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000536378696 1011586623 /nfs/dbraw/zinc/58/66/23/1011586623.db2.gz QDGUEFOSKINXET-UGKGYDQZSA-N 2 1 422.013 3.874 20 0 HHADMP COc1cc(F)c([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1OC ZINC000540992397 1011626613 /nfs/dbraw/zinc/62/66/13/1011626613.db2.gz WLGMVPAKHBBYGG-VQIMIIECSA-N 2 1 402.510 3.650 20 0 HHADMP COc1cc(F)c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1OC ZINC000540992397 1011626623 /nfs/dbraw/zinc/62/66/23/1011626623.db2.gz WLGMVPAKHBBYGG-VQIMIIECSA-N 2 1 402.510 3.650 20 0 HHADMP CCOC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000541023092 1011657893 /nfs/dbraw/zinc/65/78/93/1011657893.db2.gz MAYSDOJZXQREEG-INIZCTEOSA-N 2 1 406.486 3.647 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000541027128 1011662602 /nfs/dbraw/zinc/66/26/02/1011662602.db2.gz NQWOEPIIKRIYOL-MRXNPFEDSA-N 2 1 406.486 3.631 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000541027464 1011662906 /nfs/dbraw/zinc/66/29/06/1011662906.db2.gz YDMSGKUFMNJKLK-INIZCTEOSA-N 2 1 401.507 3.834 20 0 HHADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536458803 1011678172 /nfs/dbraw/zinc/67/81/72/1011678172.db2.gz HTPRFZZXPQMCKR-OXFYSEKESA-N 2 1 410.965 3.503 20 0 HHADMP CCC[NH+]1CC[C@H](CNC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536458803 1011678184 /nfs/dbraw/zinc/67/81/84/1011678184.db2.gz HTPRFZZXPQMCKR-OXFYSEKESA-N 2 1 410.965 3.503 20 0 HHADMP CCC[NH+]1CC[C@H](CNC(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536458803 1011678195 /nfs/dbraw/zinc/67/81/95/1011678195.db2.gz HTPRFZZXPQMCKR-OXFYSEKESA-N 2 1 410.965 3.503 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccco1 ZINC000523192402 1011678480 /nfs/dbraw/zinc/67/84/80/1011678480.db2.gz RMCIOSYEKWKHBS-AZUAARDMSA-N 2 1 418.607 3.935 20 0 HHADMP CC[N@@H+](CCNC(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1)C1CC1 ZINC000523194911 1011680730 /nfs/dbraw/zinc/68/07/30/1011680730.db2.gz RVBJXVSYBGYBHW-NRFANRHFSA-N 2 1 412.603 3.631 20 0 HHADMP CC[N@H+](CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1)C1CC1 ZINC000523194911 1011680759 /nfs/dbraw/zinc/68/07/59/1011680759.db2.gz RVBJXVSYBGYBHW-NRFANRHFSA-N 2 1 412.603 3.631 20 0 HHADMP CC[N@@H+](CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1)C1CC1 ZINC000523194911 1011680770 /nfs/dbraw/zinc/68/07/70/1011680770.db2.gz RVBJXVSYBGYBHW-NRFANRHFSA-N 2 1 412.603 3.631 20 0 HHADMP CC[NH+](CCNC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)C1CC1 ZINC000523194911 1011680779 /nfs/dbraw/zinc/68/07/79/1011680779.db2.gz RVBJXVSYBGYBHW-NRFANRHFSA-N 2 1 412.603 3.631 20 0 HHADMP CC[NH+](CCNC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)C1CC1 ZINC000523194911 1011680784 /nfs/dbraw/zinc/68/07/84/1011680784.db2.gz RVBJXVSYBGYBHW-NRFANRHFSA-N 2 1 412.603 3.631 20 0 HHADMP Cc1nccn1C[C@H](C)CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536482182 1011693856 /nfs/dbraw/zinc/69/38/56/1011693856.db2.gz OLDIAZOUNBSQQZ-HXUWFJFHSA-N 2 1 409.578 3.525 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536482182 1011693863 /nfs/dbraw/zinc/69/38/63/1011693863.db2.gz OLDIAZOUNBSQQZ-HXUWFJFHSA-N 2 1 409.578 3.525 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536482182 1011693870 /nfs/dbraw/zinc/69/38/70/1011693870.db2.gz OLDIAZOUNBSQQZ-HXUWFJFHSA-N 2 1 409.578 3.525 20 0 HHADMP CCCC[NH+]1CCC(NC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)CC1 ZINC000523222768 1011712016 /nfs/dbraw/zinc/71/20/16/1011712016.db2.gz SJNZAPLEYPHUJH-UHFFFAOYSA-N 2 1 400.611 3.601 20 0 HHADMP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000536667986 1011821341 /nfs/dbraw/zinc/82/13/41/1011821341.db2.gz UOHDPFHSKZYPQK-UHFFFAOYSA-N 2 1 410.484 3.669 20 0 HHADMP CCCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(OCCC)c1 ZINC000536710484 1011881898 /nfs/dbraw/zinc/88/18/98/1011881898.db2.gz NUCXPZSWGAAJSD-JOCHJYFZSA-N 2 1 403.611 3.865 20 0 HHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)C2)CC1 ZINC000536709871 1011882339 /nfs/dbraw/zinc/88/23/39/1011882339.db2.gz MIBAOEHNNRSBCN-LJQANCHMSA-N 2 1 410.389 3.870 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000536719137 1011892906 /nfs/dbraw/zinc/89/29/06/1011892906.db2.gz GLWYJQNVGRNXMV-HSZRJFAPSA-N 2 1 410.537 3.779 20 0 HHADMP Cc1ccc2snc(C(=O)N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2c1 ZINC000551755333 1011914442 /nfs/dbraw/zinc/91/44/42/1011914442.db2.gz YYJPLUSWKZKREA-UHFFFAOYSA-N 2 1 414.619 3.873 20 0 HHADMP CCCN(C(=O)NC[C@H](c1ccco1)[NH+](C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000523520711 1012047379 /nfs/dbraw/zinc/04/73/79/1012047379.db2.gz XVFXDQMQPWCCEL-FGZHOGPDSA-N 2 1 412.578 3.969 20 0 HHADMP CCCN(C(=O)NC[C@H](c1ccco1)[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000523520711 1012047401 /nfs/dbraw/zinc/04/74/01/1012047401.db2.gz XVFXDQMQPWCCEL-FGZHOGPDSA-N 2 1 412.578 3.969 20 0 HHADMP CNC(=O)COc1cccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000552032935 1012058013 /nfs/dbraw/zinc/05/80/13/1012058013.db2.gz CYAKTGTVYDLBDL-QLBJFCOMSA-N 2 1 421.585 3.592 20 0 HHADMP Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552055602 1012073748 /nfs/dbraw/zinc/07/37/48/1012073748.db2.gz VZWGLHJFUOLDCL-ZFAFIAQSSA-N 2 1 408.590 3.778 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000552057575 1012074335 /nfs/dbraw/zinc/07/43/35/1012074335.db2.gz GXFMVAMFCVTZTN-OAQYLSRUSA-N 2 1 407.549 3.723 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000552057575 1012074348 /nfs/dbraw/zinc/07/43/48/1012074348.db2.gz GXFMVAMFCVTZTN-OAQYLSRUSA-N 2 1 407.549 3.723 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000552057575 1012074363 /nfs/dbraw/zinc/07/43/63/1012074363.db2.gz GXFMVAMFCVTZTN-OAQYLSRUSA-N 2 1 407.549 3.723 20 0 HHADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000536859290 1012092496 /nfs/dbraw/zinc/09/24/96/1012092496.db2.gz SZTUQVQVXKHWQN-ZACQAIPSSA-N 2 1 411.974 3.545 20 0 HHADMP COc1ccc(Oc2ccc(C[NH2+]CCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)cc2)cc1 ZINC000541377080 1012092865 /nfs/dbraw/zinc/09/28/65/1012092865.db2.gz MLMOXPYPLJZKOO-HSZRJFAPSA-N 2 1 411.546 3.520 20 0 HHADMP COc1ccc(Oc2ccc(C[NH2+]CCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)cc2)cc1 ZINC000541377080 1012092878 /nfs/dbraw/zinc/09/28/78/1012092878.db2.gz MLMOXPYPLJZKOO-HSZRJFAPSA-N 2 1 411.546 3.520 20 0 HHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2CC[C@@H](c4nc(C5CC5)no4)O2)C3)cc1 ZINC000552087746 1012101856 /nfs/dbraw/zinc/10/18/56/1012101856.db2.gz QBKJFQKEXCUWLD-BDHVOXNPSA-N 2 1 408.546 3.952 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)[C@H](C)C1 ZINC000536876576 1012119687 /nfs/dbraw/zinc/11/96/87/1012119687.db2.gz OJVMHXZGABHPLC-NFBKMPQASA-N 2 1 401.595 3.539 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCC2(F)F)C1 ZINC000552114233 1012131703 /nfs/dbraw/zinc/13/17/03/1012131703.db2.gz BBNIOUCCWZKDST-RTWAWAEBSA-N 2 1 407.549 3.628 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000552114233 1012131719 /nfs/dbraw/zinc/13/17/19/1012131719.db2.gz BBNIOUCCWZKDST-RTWAWAEBSA-N 2 1 407.549 3.628 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000552114233 1012131729 /nfs/dbraw/zinc/13/17/29/1012131729.db2.gz BBNIOUCCWZKDST-RTWAWAEBSA-N 2 1 407.549 3.628 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCCC1 ZINC000523604338 1012171299 /nfs/dbraw/zinc/17/12/99/1012171299.db2.gz PCOKURYSYSBDCG-NHYNNZIHSA-N 2 1 412.622 3.992 20 0 HHADMP C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541427334 1012177472 /nfs/dbraw/zinc/17/74/72/1012177472.db2.gz WFHJPWIBJWGDRF-HXUWFJFHSA-N 2 1 424.589 3.750 20 0 HHADMP O=C(C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523609291 1012178418 /nfs/dbraw/zinc/17/84/18/1012178418.db2.gz FOAJWZWALVSOAI-DEOSSOPVSA-N 2 1 409.549 3.745 20 0 HHADMP C[C@@H](C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)[N@@H+]1CCc2ccccc2C1 ZINC000552199849 1012213175 /nfs/dbraw/zinc/21/31/75/1012213175.db2.gz KZEFYTMPNVCLLY-QFIPXVFZSA-N 2 1 417.597 3.948 20 0 HHADMP C[C@@H](C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)[N@H+]1CCc2ccccc2C1 ZINC000552199849 1012213189 /nfs/dbraw/zinc/21/31/89/1012213189.db2.gz KZEFYTMPNVCLLY-QFIPXVFZSA-N 2 1 417.597 3.948 20 0 HHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCOc3cccc4ccccc43)CC2)C[C@@H](C)O1 ZINC000536933543 1012223004 /nfs/dbraw/zinc/22/30/04/1012223004.db2.gz DJQOAANGWIZLCN-NHCUHLMSSA-N 2 1 412.574 3.809 20 0 HHADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000541467303 1012231181 /nfs/dbraw/zinc/23/11/81/1012231181.db2.gz GWDCLQDSWHPEJB-FPOVZHCZSA-N 2 1 400.611 3.977 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000541467303 1012231191 /nfs/dbraw/zinc/23/11/91/1012231191.db2.gz GWDCLQDSWHPEJB-FPOVZHCZSA-N 2 1 400.611 3.977 20 0 HHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)[C@H]2CCC[C@@H]21 ZINC000552255858 1012266178 /nfs/dbraw/zinc/26/61/78/1012266178.db2.gz XNJDYMKQOJNCCU-SGNDLWITSA-N 2 1 423.580 3.510 20 0 HHADMP CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000552275019 1012289090 /nfs/dbraw/zinc/28/90/90/1012289090.db2.gz IOXGASYFLDWACK-PFDCGNQRSA-N 2 1 404.620 3.623 20 0 HHADMP CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000552275019 1012289105 /nfs/dbraw/zinc/28/91/05/1012289105.db2.gz IOXGASYFLDWACK-PFDCGNQRSA-N 2 1 404.620 3.623 20 0 HHADMP CC[C@H]([NH2+][C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C)cc1 ZINC000537057632 1012389422 /nfs/dbraw/zinc/38/94/22/1012389422.db2.gz KXKWLHLEYFRNIE-YKSBVNFPSA-N 2 1 409.574 3.573 20 0 HHADMP CC(C)[C@@H](C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)[NH+]1CCCCC1 ZINC000552444248 1012465335 /nfs/dbraw/zinc/46/53/35/1012465335.db2.gz YVDYRHSTIZMMGW-QHCPKHFHSA-N 2 1 424.589 3.933 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000537132985 1012519492 /nfs/dbraw/zinc/51/94/92/1012519492.db2.gz YKTKSNYLVJRUHI-TZBSWOFLSA-N 2 1 421.585 3.649 20 0 HHADMP CCOc1ccc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1OCC ZINC000552678627 1012685795 /nfs/dbraw/zinc/68/57/95/1012685795.db2.gz VJZKMINUBIQKQP-PMACEKPBSA-N 2 1 420.594 3.574 20 0 HHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)CC2)cc1 ZINC000552685967 1012696753 /nfs/dbraw/zinc/69/67/53/1012696753.db2.gz SEEULAFEJZLCQO-JOCHJYFZSA-N 2 1 400.611 3.758 20 0 HHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CCC[N@H+](C(C)C)C3)CC2)cc1 ZINC000552685967 1012696760 /nfs/dbraw/zinc/69/67/60/1012696760.db2.gz SEEULAFEJZLCQO-JOCHJYFZSA-N 2 1 400.611 3.758 20 0 HHADMP COc1ccc([C@@H](C)[N@H+](C)CC(=O)N2CCC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000537258823 1012707799 /nfs/dbraw/zinc/70/77/99/1012707799.db2.gz HEMMHFWEYAJKHS-OAQYLSRUSA-N 2 1 409.574 3.731 20 0 HHADMP COc1ccc([C@@H](C)[N@@H+](C)CC(=O)N2CCC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000537258823 1012707816 /nfs/dbraw/zinc/70/78/16/1012707816.db2.gz HEMMHFWEYAJKHS-OAQYLSRUSA-N 2 1 409.574 3.731 20 0 HHADMP COc1ccc([C@@H](C)[NH+](C)CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)cc1 ZINC000537258823 1012707833 /nfs/dbraw/zinc/70/78/33/1012707833.db2.gz HEMMHFWEYAJKHS-OAQYLSRUSA-N 2 1 409.574 3.731 20 0 HHADMP COc1ccc([C@@H](C)[NH+](C)CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)cc1 ZINC000537258823 1012707843 /nfs/dbraw/zinc/70/78/43/1012707843.db2.gz HEMMHFWEYAJKHS-OAQYLSRUSA-N 2 1 409.574 3.731 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OCCN3CCOCC3)c(Cl)c2)C1 ZINC000537326311 1012784235 /nfs/dbraw/zinc/78/42/35/1012784235.db2.gz UVIDCDQORLUMMT-NRFANRHFSA-N 2 1 424.029 3.509 20 0 HHADMP COc1ccc2c(c1)CCCN2C(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000541954924 1012817577 /nfs/dbraw/zinc/81/75/77/1012817577.db2.gz AZJOXJXYIZEAGN-QGZVFWFLSA-N 2 1 404.514 3.819 20 0 HHADMP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000524135679 1012920288 /nfs/dbraw/zinc/92/02/88/1012920288.db2.gz NXWIYMGSSHLPSO-QZNHQXDQSA-N 2 1 400.611 3.801 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000487852990 1072086447 /nfs/dbraw/zinc/08/64/47/1072086447.db2.gz BAZFUELHLVPAIH-UHFFFAOYSA-N 2 1 408.542 3.875 20 0 HHADMP C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@H](c3ccccc3)[NH+]3CCc4sccc4C3)C2)C1 ZINC000487838148 1072099617 /nfs/dbraw/zinc/09/96/17/1072099617.db2.gz LJBISNYQCOSDBT-QPPBQGQZSA-N 2 1 424.614 3.585 20 0 HHADMP C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@H](c3ccccc3)[NH+]3CCc4sccc4C3)C2)C1 ZINC000487838148 1072099631 /nfs/dbraw/zinc/09/96/31/1072099631.db2.gz LJBISNYQCOSDBT-QPPBQGQZSA-N 2 1 424.614 3.585 20 0 HHADMP C[NH+]1CC[C@]2(CCN(C(=O)NC[C@H](c3ccccc3)[N@@H+]3CCc4sccc4C3)C2)C1 ZINC000487838148 1072099639 /nfs/dbraw/zinc/09/96/39/1072099639.db2.gz LJBISNYQCOSDBT-QPPBQGQZSA-N 2 1 424.614 3.585 20 0 HHADMP C[NH+]1CC[C@]2(CCN(C(=O)NC[C@H](c3ccccc3)[N@H+]3CCc4sccc4C3)C2)C1 ZINC000487838148 1072099649 /nfs/dbraw/zinc/09/96/49/1072099649.db2.gz LJBISNYQCOSDBT-QPPBQGQZSA-N 2 1 424.614 3.585 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCCOc1ccc(Br)cc1 ZINC001168285031 1072424442 /nfs/dbraw/zinc/42/44/42/1072424442.db2.gz QIQGEMHIBVZHOK-YZGWKJHDSA-N 2 1 411.384 3.792 20 0 HHADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@]3(CC(C(=O)Nc4cccc(Cl)c4)=NO3)C2)CC1 ZINC001168321277 1072502809 /nfs/dbraw/zinc/50/28/09/1072502809.db2.gz FJWICSUPVPSROF-OBFZPWGMSA-N 2 1 418.969 3.762 20 0 HHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccccc2I)no1 ZINC001212144841 1072516537 /nfs/dbraw/zinc/51/65/37/1072516537.db2.gz FVKQWRHWUZHBGX-AWEZNQCLSA-N 2 1 414.291 3.509 20 0 HHADMP CCOC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001142594907 1072890070 /nfs/dbraw/zinc/89/00/70/1072890070.db2.gz DOJPFLMZKRCLCN-XWGVYQGASA-N 2 1 407.558 3.991 20 0 HHADMP CCOC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001142594907 1072890080 /nfs/dbraw/zinc/89/00/80/1072890080.db2.gz DOJPFLMZKRCLCN-XWGVYQGASA-N 2 1 407.558 3.991 20 0 HHADMP CCOC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001142594907 1072890093 /nfs/dbraw/zinc/89/00/93/1072890093.db2.gz DOJPFLMZKRCLCN-XWGVYQGASA-N 2 1 407.558 3.991 20 0 HHADMP CCOC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001142594907 1072890110 /nfs/dbraw/zinc/89/01/10/1072890110.db2.gz DOJPFLMZKRCLCN-XWGVYQGASA-N 2 1 407.558 3.991 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000554853305 1072902798 /nfs/dbraw/zinc/90/27/98/1072902798.db2.gz ADWLHWNTSPYGEY-FQEVSTJZSA-N 2 1 401.492 3.992 20 0 HHADMP C[C@H](CNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC000555074534 1073135689 /nfs/dbraw/zinc/13/56/89/1073135689.db2.gz BETBPGDWHCRCOP-DNVCBOLYSA-N 2 1 421.010 3.750 20 0 HHADMP C[C@H](CNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC000555074534 1073135691 /nfs/dbraw/zinc/13/56/91/1073135691.db2.gz BETBPGDWHCRCOP-DNVCBOLYSA-N 2 1 421.010 3.750 20 0 HHADMP CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)c2)CC1 ZINC000588699429 1073149853 /nfs/dbraw/zinc/14/98/53/1073149853.db2.gz KNJFDDJPAVPQOQ-RUZDIDTESA-N 2 1 420.601 3.842 20 0 HHADMP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000588710199 1073155472 /nfs/dbraw/zinc/15/54/72/1073155472.db2.gz RCTJTLDCZFCLQX-WOJBJXKFSA-N 2 1 401.595 3.878 20 0 HHADMP C[C@@H]1C[NH+](CC2CC[NH+](CC(=O)Nc3ccccc3C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000588710100 1073155484 /nfs/dbraw/zinc/15/54/84/1073155484.db2.gz QAMYOWADXUBPHP-RTBURBONSA-N 2 1 401.595 3.744 20 0 HHADMP CCc1cccc(CC)c1NC(=O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000588710777 1073156693 /nfs/dbraw/zinc/15/66/93/1073156693.db2.gz VVAMJKPWEJGICN-RTBURBONSA-N 2 1 401.595 3.571 20 0 HHADMP CC[N@H+](CC(=O)Nc1ccc(Br)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999713 1073440996 /nfs/dbraw/zinc/44/09/96/1073440996.db2.gz VAXVFDQISQNSRG-UHFFFAOYSA-N 2 1 404.352 3.971 20 0 HHADMP CC[N@@H+](CC(=O)Nc1ccc(Br)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999713 1073441006 /nfs/dbraw/zinc/44/10/06/1073441006.db2.gz VAXVFDQISQNSRG-UHFFFAOYSA-N 2 1 404.352 3.971 20 0 HHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)CC1 ZINC000589999890 1073441540 /nfs/dbraw/zinc/44/15/40/1073441540.db2.gz SRMYCOAVHNAZSH-UHFFFAOYSA-N 2 1 411.594 3.790 20 0 HHADMP Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)NC[C@H]2CC[NH+](C3CC3)C2)c1 ZINC000555418249 1073451513 /nfs/dbraw/zinc/45/15/13/1073451513.db2.gz IOSPNFAXUKSHKG-RCXJIHSJSA-N 2 1 417.597 3.811 20 0 HHADMP Cc1cccc([C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000555418249 1073451517 /nfs/dbraw/zinc/45/15/17/1073451517.db2.gz IOSPNFAXUKSHKG-RCXJIHSJSA-N 2 1 417.597 3.811 20 0 HHADMP Cc1cccc([C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000555418249 1073451521 /nfs/dbraw/zinc/45/15/21/1073451521.db2.gz IOSPNFAXUKSHKG-RCXJIHSJSA-N 2 1 417.597 3.811 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000555417714 1073452149 /nfs/dbraw/zinc/45/21/49/1073452149.db2.gz ISYVVWINPRWYRT-XXBNENTESA-N 2 1 419.585 3.558 20 0 HHADMP CC(C)[N@H+]1CCCN(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000590157335 1073599113 /nfs/dbraw/zinc/59/91/13/1073599113.db2.gz LQMHOOURKBBGCX-SFTDATJTSA-N 2 1 400.611 3.790 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000591419209 1074283403 /nfs/dbraw/zinc/28/34/03/1074283403.db2.gz GGLBYSMPKYLKAS-JTHBVZDNSA-N 2 1 421.585 3.944 20 0 HHADMP C[C@H]1CCCC[NH+]1CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000591419209 1074283409 /nfs/dbraw/zinc/28/34/09/1074283409.db2.gz GGLBYSMPKYLKAS-JTHBVZDNSA-N 2 1 421.585 3.944 20 0 HHADMP C[C@H]1CCCC[NH+]1CCOc1ccccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000591419209 1074283414 /nfs/dbraw/zinc/28/34/14/1074283414.db2.gz GGLBYSMPKYLKAS-JTHBVZDNSA-N 2 1 421.585 3.944 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000591448986 1074303686 /nfs/dbraw/zinc/30/36/86/1074303686.db2.gz CLWSWVNHUMQJBV-FQEVSTJZSA-N 2 1 401.595 3.886 20 0 HHADMP C[C@H]1CCCC[NH+]1CCOc1ccccc1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000591448986 1074303693 /nfs/dbraw/zinc/30/36/93/1074303693.db2.gz CLWSWVNHUMQJBV-FQEVSTJZSA-N 2 1 401.595 3.886 20 0 HHADMP C[C@H]1CCCC[NH+]1CCOc1ccccc1C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000591448986 1074303700 /nfs/dbraw/zinc/30/37/00/1074303700.db2.gz CLWSWVNHUMQJBV-FQEVSTJZSA-N 2 1 401.595 3.886 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000591582125 1074424638 /nfs/dbraw/zinc/42/46/38/1074424638.db2.gz ZSDLBQQFHJBXSO-HSZRJFAPSA-N 2 1 400.611 3.982 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)CC1 ZINC000591810108 1074588616 /nfs/dbraw/zinc/58/86/16/1074588616.db2.gz AXMNOJIAIXPLFO-RUZDIDTESA-N 2 1 421.585 3.539 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCCO[C@@H](c3ccccc3)C2)CC1 ZINC000591810108 1074588624 /nfs/dbraw/zinc/58/86/24/1074588624.db2.gz AXMNOJIAIXPLFO-RUZDIDTESA-N 2 1 421.585 3.539 20 0 HHADMP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000573965610 1074744680 /nfs/dbraw/zinc/74/46/80/1074744680.db2.gz XVTYSLGHMIJOCG-PZSRYKBRSA-N 2 1 402.485 3.918 20 0 HHADMP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000573965610 1074744687 /nfs/dbraw/zinc/74/46/87/1074744687.db2.gz XVTYSLGHMIJOCG-PZSRYKBRSA-N 2 1 402.485 3.918 20 0 HHADMP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000592475299 1074763749 /nfs/dbraw/zinc/76/37/49/1074763749.db2.gz QQWHVDCIWPSEIO-UTKZUKDTSA-N 2 1 404.986 3.793 20 0 HHADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cn(-c2ccccc2Cl)nc1C(C)(C)C ZINC000574082505 1075161128 /nfs/dbraw/zinc/16/11/28/1075161128.db2.gz VNQKWXPXSJTOCK-UHFFFAOYSA-N 2 1 418.029 3.893 20 0 HHADMP COC[C@@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(Cl)c1 ZINC000574192074 1075173219 /nfs/dbraw/zinc/17/32/19/1075173219.db2.gz CGZNHBYOKDXILD-JOCHJYFZSA-N 2 1 415.965 3.529 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000593502578 1075205521 /nfs/dbraw/zinc/20/55/21/1075205521.db2.gz UJMDQAYRNKSMSV-SIKLNZKXSA-N 2 1 410.562 3.974 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000593502576 1075205551 /nfs/dbraw/zinc/20/55/51/1075205551.db2.gz UJMDQAYRNKSMSV-KNQAVFIVSA-N 2 1 410.562 3.974 20 0 HHADMP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[N@H+](C)C1CC1 ZINC000596432291 1075560845 /nfs/dbraw/zinc/56/08/45/1075560845.db2.gz LCEBLKJFXJRDBM-CQSZACIVSA-N 2 1 413.393 3.740 20 0 HHADMP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[N@@H+](C)C1CC1 ZINC000596432291 1075560848 /nfs/dbraw/zinc/56/08/48/1075560848.db2.gz LCEBLKJFXJRDBM-CQSZACIVSA-N 2 1 413.393 3.740 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000597886124 1075724542 /nfs/dbraw/zinc/72/45/42/1075724542.db2.gz NLYICHZNBUWONR-LOSJGSFVSA-N 2 1 420.601 3.807 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000597886124 1075724546 /nfs/dbraw/zinc/72/45/46/1075724546.db2.gz NLYICHZNBUWONR-LOSJGSFVSA-N 2 1 420.601 3.807 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000597886124 1075724549 /nfs/dbraw/zinc/72/45/49/1075724549.db2.gz NLYICHZNBUWONR-LOSJGSFVSA-N 2 1 420.601 3.807 20 0 HHADMP [NH3+]CC1(F)CCN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC001164394184 718813313 /nfs/dbraw/zinc/81/33/13/718813313.db2.gz ZRGBGRKOLSSAMU-UHFFFAOYSA-N 2 1 417.598 3.823 20 0 HHADMP CSc1ccc(Oc2cc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)ncn2)cc1 ZINC001164679460 719634373 /nfs/dbraw/zinc/63/43/73/719634373.db2.gz BDFPTBHOLIOSNT-UHFFFAOYSA-N 2 1 424.574 3.662 20 0 HHADMP CSc1ccc(Oc2cc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)ncn2)cc1 ZINC001164679460 719634380 /nfs/dbraw/zinc/63/43/80/719634380.db2.gz BDFPTBHOLIOSNT-UHFFFAOYSA-N 2 1 424.574 3.662 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)cc(C3CCCCC3)n2)c2c1CC[NH2+]C2 ZINC001164681018 719649696 /nfs/dbraw/zinc/64/96/96/719649696.db2.gz LMKMILHVWFRMTA-UHFFFAOYSA-N 2 1 402.974 3.849 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)cc(C3CCCCC3)n2)c2c1CC[NH2+]C2 ZINC001164681018 719649702 /nfs/dbraw/zinc/64/97/02/719649702.db2.gz LMKMILHVWFRMTA-UHFFFAOYSA-N 2 1 402.974 3.849 20 0 HHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(OC(C)C)cc[nH+]1)CC2 ZINC001164715587 720123178 /nfs/dbraw/zinc/12/31/78/720123178.db2.gz IFUKXAUBYNOHLU-OAQYLSRUSA-N 2 1 410.562 3.771 20 0 HHADMP Cc1cc2ccccc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]1 ZINC001164747984 720837981 /nfs/dbraw/zinc/83/79/81/720837981.db2.gz SCSVBQMBAWUJJY-MQSCRBSSSA-N 2 1 402.546 3.514 20 0 HHADMP Cc1cc2ccccc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]1 ZINC001164747984 720837986 /nfs/dbraw/zinc/83/79/86/720837986.db2.gz SCSVBQMBAWUJJY-MQSCRBSSSA-N 2 1 402.546 3.514 20 0 HHADMP Cc1cc(C)[nH+]c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164754490 720871100 /nfs/dbraw/zinc/87/11/00/720871100.db2.gz RYJDYAAFBJLMHS-ILBGXUMGSA-N 2 1 406.574 3.849 20 0 HHADMP c1cc2c(cc[nH+]c2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH]1 ZINC001164754595 720872417 /nfs/dbraw/zinc/87/24/17/720872417.db2.gz SEMDOPNEHGHSJF-BWKNWUBXSA-N 2 1 417.557 3.713 20 0 HHADMP COc1cc2cc[nH+]c(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)c2cc1OC ZINC001164856186 720966302 /nfs/dbraw/zinc/96/63/02/720966302.db2.gz CFFOAJMYWBLJDB-MRXNPFEDSA-N 2 1 409.534 3.870 20 0 HHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC[C@H]([NH+](C)C)C4)c23)C1 ZINC001165035219 721896080 /nfs/dbraw/zinc/89/60/80/721896080.db2.gz LPRQEVOMESVYJY-SJORKVTESA-N 2 1 413.635 3.942 20 0 HHADMP Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ccc(OCC4CC[NH2+]CC4)cn2)C3)c1 ZINC001164994358 722212774 /nfs/dbraw/zinc/21/27/74/722212774.db2.gz AZKLCJBZICIUFB-VWLOTQADSA-N 2 1 424.564 3.844 20 0 HHADMP CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000524244425 1013055164 /nfs/dbraw/zinc/05/51/64/1013055164.db2.gz ZRLLMRJXQKHAED-RZUBCFFCSA-N 2 1 401.595 3.885 20 0 HHADMP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000542140707 1013074163 /nfs/dbraw/zinc/07/41/63/1013074163.db2.gz KFEDGNDELUFTIH-LJQANCHMSA-N 2 1 423.557 3.753 20 0 HHADMP C[C@@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000303145279 971526602 /nfs/dbraw/zinc/52/66/02/971526602.db2.gz DPDQBLPOZBKFNX-FQEVSTJZSA-N 2 1 411.565 3.717 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc(-c2ccc(C)o2)nc1C ZINC000303153167 971530858 /nfs/dbraw/zinc/53/08/58/971530858.db2.gz SZMDZVMSZJAQBX-KRWDZBQOSA-N 2 1 404.580 3.508 20 0 HHADMP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)C1 ZINC000303238769 971574465 /nfs/dbraw/zinc/57/44/65/971574465.db2.gz ICMXIOOWSSBVSR-NHCUHLMSSA-N 2 1 412.603 3.583 20 0 HHADMP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)C1 ZINC000303238769 971574479 /nfs/dbraw/zinc/57/44/79/971574479.db2.gz ICMXIOOWSSBVSR-NHCUHLMSSA-N 2 1 412.603 3.583 20 0 HHADMP C[C@H](CNC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[NH+](C)C1CC1 ZINC000303277205 971593202 /nfs/dbraw/zinc/59/32/02/971593202.db2.gz SRPYIYRNESZICS-DYESRHJHSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@H](CNC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[NH+](C)C1CC1 ZINC000303277205 971593208 /nfs/dbraw/zinc/59/32/08/971593208.db2.gz SRPYIYRNESZICS-DYESRHJHSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)[N@H+](C)C1CC1 ZINC000303277205 971593212 /nfs/dbraw/zinc/59/32/12/971593212.db2.gz SRPYIYRNESZICS-DYESRHJHSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)[N@@H+](C)C1CC1 ZINC000303277205 971593216 /nfs/dbraw/zinc/59/32/16/971593216.db2.gz SRPYIYRNESZICS-DYESRHJHSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000303592029 971884749 /nfs/dbraw/zinc/88/47/49/971884749.db2.gz MLRCLSBCTBVHRV-VXKWHMMOSA-N 2 1 408.590 3.651 20 0 HHADMP CCOc1ccc(OC[C@H](O)C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000303737387 971991274 /nfs/dbraw/zinc/99/12/74/971991274.db2.gz HCRWAXQDNISFCL-AKIFATBCSA-N 2 1 412.574 3.810 20 0 HHADMP CCOc1ccc(OC[C@H](O)C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000303737387 971991282 /nfs/dbraw/zinc/99/12/82/971991282.db2.gz HCRWAXQDNISFCL-AKIFATBCSA-N 2 1 412.574 3.810 20 0 HHADMP CCOc1ccc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000303737387 971991289 /nfs/dbraw/zinc/99/12/89/971991289.db2.gz HCRWAXQDNISFCL-AKIFATBCSA-N 2 1 412.574 3.810 20 0 HHADMP CCOc1ccc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000303737387 971991294 /nfs/dbraw/zinc/99/12/94/971991294.db2.gz HCRWAXQDNISFCL-AKIFATBCSA-N 2 1 412.574 3.810 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000537613493 1013152955 /nfs/dbraw/zinc/15/29/55/1013152955.db2.gz QIDXVDCKNVARTI-NZQKXSOJSA-N 2 1 406.574 3.633 20 0 HHADMP C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000537620687 1013164826 /nfs/dbraw/zinc/16/48/26/1013164826.db2.gz VDPYTIQZAALUCX-JXFKEZNVSA-N 2 1 419.495 3.830 20 0 HHADMP C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000537620687 1013164847 /nfs/dbraw/zinc/16/48/47/1013164847.db2.gz VDPYTIQZAALUCX-JXFKEZNVSA-N 2 1 419.495 3.830 20 0 HHADMP Cc1cc(Br)c(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1Cl ZINC000553207108 1013169475 /nfs/dbraw/zinc/16/94/75/1013169475.db2.gz TUYLXIVBHDNIJY-UHFFFAOYSA-N 2 1 423.742 3.810 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccccc2OCC(=O)N(C)C)CC1 ZINC000537623162 1013171475 /nfs/dbraw/zinc/17/14/75/1013171475.db2.gz YTQOQDDPPAEMHV-FQEVSTJZSA-N 2 1 401.595 3.630 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)cc1 ZINC000542252281 1013212740 /nfs/dbraw/zinc/21/27/40/1013212740.db2.gz BNZQWYPRNJIBKY-VBKZILBWSA-N 2 1 416.447 3.947 20 0 HHADMP COc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1OCc1ccccc1 ZINC000537695280 1013260533 /nfs/dbraw/zinc/26/05/33/1013260533.db2.gz JHWMSHLBGZNHEK-AOHZBQACSA-N 2 1 410.558 3.958 20 0 HHADMP COc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1OCc1ccccc1 ZINC000537695280 1013260546 /nfs/dbraw/zinc/26/05/46/1013260546.db2.gz JHWMSHLBGZNHEK-AOHZBQACSA-N 2 1 410.558 3.958 20 0 HHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000542361484 1013317969 /nfs/dbraw/zinc/31/79/69/1013317969.db2.gz CWOPFSUEUWDZEJ-UHFFFAOYSA-N 2 1 421.585 3.693 20 0 HHADMP C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537841737 1013403042 /nfs/dbraw/zinc/40/30/42/1013403042.db2.gz NKHLXCBGAPRDKC-MRXNPFEDSA-N 2 1 402.489 3.925 20 0 HHADMP CCCCN1CCc2ccc(NC(=O)C3CC[NH+](C4CC[NH+](CC)CC4)CC3)cc21 ZINC000553516492 1013415873 /nfs/dbraw/zinc/41/58/73/1013415873.db2.gz KCTJSXQTKWROCA-UHFFFAOYSA-N 2 1 412.622 3.984 20 0 HHADMP CCN(CC)c1ccc(/C=[NH+]/C[C@H](c2cccs2)N2CC[NH+](C)CC2)c(O)c1 ZINC000022591961 963682527 /nfs/dbraw/zinc/68/25/27/963682527.db2.gz PSEVHLYWYYKCKW-OGTCDWKQSA-N 2 1 400.592 3.708 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537875998 1013452956 /nfs/dbraw/zinc/45/29/56/1013452956.db2.gz WSMNDQKITFPGPE-RDPSFJRHSA-N 2 1 421.589 3.508 20 0 HHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccc(-n4cccn4)cc3)CC2)c1C ZINC000542510549 1013454914 /nfs/dbraw/zinc/45/49/14/1013454914.db2.gz KXKRPXZVKAYFTB-UHFFFAOYSA-N 2 1 419.573 3.989 20 0 HHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccc(-n4cccn4)cc3)CC2)c1C ZINC000542510549 1013454918 /nfs/dbraw/zinc/45/49/18/1013454918.db2.gz KXKRPXZVKAYFTB-UHFFFAOYSA-N 2 1 419.573 3.989 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC000024964246 964126052 /nfs/dbraw/zinc/12/60/52/964126052.db2.gz RUGFQYKXQIEZRW-OYRHEFFESA-N 2 1 421.585 3.690 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC000024964246 964126063 /nfs/dbraw/zinc/12/60/63/964126063.db2.gz RUGFQYKXQIEZRW-OYRHEFFESA-N 2 1 421.585 3.690 20 0 HHADMP COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000542529828 1013472036 /nfs/dbraw/zinc/47/20/36/1013472036.db2.gz UPKLXHYEYHWENN-CADBVGFASA-N 2 1 417.594 3.512 20 0 HHADMP COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000542529828 1013472038 /nfs/dbraw/zinc/47/20/38/1013472038.db2.gz UPKLXHYEYHWENN-CADBVGFASA-N 2 1 417.594 3.512 20 0 HHADMP COc1cc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)ccc1OC(C)C ZINC000025362082 964250847 /nfs/dbraw/zinc/25/08/47/964250847.db2.gz RNYMJVPGNNCFRT-LJQANCHMSA-N 2 1 403.592 3.622 20 0 HHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000050137042 964274986 /nfs/dbraw/zinc/27/49/86/964274986.db2.gz HHMQNXOHICNVLE-LJQANCHMSA-N 2 1 404.624 3.620 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537902367 1013486861 /nfs/dbraw/zinc/48/68/61/1013486861.db2.gz QSIBUGYWCDVMKO-OAQYLSRUSA-N 2 1 421.589 3.604 20 0 HHADMP Brc1ccccc1-c1nnc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000051907699 964740327 /nfs/dbraw/zinc/74/03/27/964740327.db2.gz ABBCQLSQJGYRAO-UHFFFAOYSA-N 2 1 405.340 3.807 20 0 HHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000537959355 1013538574 /nfs/dbraw/zinc/53/85/74/1013538574.db2.gz DAEYYKAJIGMUEL-SLFFLAALSA-N 2 1 411.359 3.933 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000537978624 1013554766 /nfs/dbraw/zinc/55/47/66/1013554766.db2.gz AQTKMWWVQXPXDE-YKSBVNFPSA-N 2 1 412.622 3.993 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000537978624 1013554774 /nfs/dbraw/zinc/55/47/74/1013554774.db2.gz AQTKMWWVQXPXDE-YKSBVNFPSA-N 2 1 412.622 3.993 20 0 HHADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H](C(C)C)[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000537986599 1013561422 /nfs/dbraw/zinc/56/14/22/1013561422.db2.gz KCBBKTMDSKWDKB-ZODMCCGTSA-N 2 1 401.639 3.796 20 0 HHADMP CCOCCC[NH+]1CC[C@H](NC[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000537986599 1013561428 /nfs/dbraw/zinc/56/14/28/1013561428.db2.gz KCBBKTMDSKWDKB-ZODMCCGTSA-N 2 1 401.639 3.796 20 0 HHADMP CCOCCC[NH+]1CC[C@H](NC[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000537986599 1013561432 /nfs/dbraw/zinc/56/14/32/1013561432.db2.gz KCBBKTMDSKWDKB-ZODMCCGTSA-N 2 1 401.639 3.796 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C(C)C)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000537986599 1013561441 /nfs/dbraw/zinc/56/14/41/1013561441.db2.gz KCBBKTMDSKWDKB-ZODMCCGTSA-N 2 1 401.639 3.796 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C(C)C)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000537986599 1013561448 /nfs/dbraw/zinc/56/14/48/1013561448.db2.gz KCBBKTMDSKWDKB-ZODMCCGTSA-N 2 1 401.639 3.796 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000537989283 1013563078 /nfs/dbraw/zinc/56/30/78/1013563078.db2.gz ALZXJSBTDDDEFU-OFVILXPXSA-N 2 1 401.554 3.897 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1Cl ZINC000054045761 965371180 /nfs/dbraw/zinc/37/11/80/965371180.db2.gz LOTRCEZYUTWQJV-JOCHJYFZSA-N 2 1 414.981 3.907 20 0 HHADMP CC[N@@H+](CCC1CC[NH+](Cc2cccc(S(=O)(=O)N(C)C)c2)CC1)CC(C)C ZINC000537998770 1013573663 /nfs/dbraw/zinc/57/36/63/1013573663.db2.gz SXDNILWXPMNGIG-UHFFFAOYSA-N 2 1 409.640 3.517 20 0 HHADMP COc1ccc([C@H](CNC(=O)C[N@H+](C)[C@@H]2CCc3ccccc32)[NH+]2CCCCC2)cc1 ZINC000029811031 965510848 /nfs/dbraw/zinc/51/08/48/965510848.db2.gz XRIPMCDXJRIPFK-RPBOFIJWSA-N 2 1 421.585 3.958 20 0 HHADMP COc1ccc([C@H](CNC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)[NH+]2CCCCC2)cc1 ZINC000029811031 965510854 /nfs/dbraw/zinc/51/08/54/965510854.db2.gz XRIPMCDXJRIPFK-RPBOFIJWSA-N 2 1 421.585 3.958 20 0 HHADMP CC(=O)c1c(C)cc(C)c(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1C ZINC000538044300 1013616827 /nfs/dbraw/zinc/61/68/27/1013616827.db2.gz FEWMOSOUMJJCOY-WOJBJXKFSA-N 2 1 416.606 3.905 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC000031541679 966045786 /nfs/dbraw/zinc/04/57/86/966045786.db2.gz JEELTJZZDDSULI-DNRQZRRGSA-N 2 1 421.585 3.690 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC000031541679 966045804 /nfs/dbraw/zinc/04/58/04/966045804.db2.gz JEELTJZZDDSULI-DNRQZRRGSA-N 2 1 421.585 3.690 20 0 HHADMP CC[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000031664306 966079205 /nfs/dbraw/zinc/07/92/05/966079205.db2.gz BZINXQLPVLLLCP-VWLOTQADSA-N 2 1 420.601 3.787 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccs1 ZINC000060244773 966081313 /nfs/dbraw/zinc/08/13/13/966081313.db2.gz AWVXUTRWRMIKJO-SJLPKXTDSA-N 2 1 406.621 3.624 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccs1 ZINC000060244771 966081486 /nfs/dbraw/zinc/08/14/86/966081486.db2.gz AWVXUTRWRMIKJO-FUHWJXTLSA-N 2 1 406.621 3.624 20 0 HHADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000542715713 1013627993 /nfs/dbraw/zinc/62/79/93/1013627993.db2.gz ZRUUMWGCJOYDKA-UXHICEINSA-N 2 1 400.611 3.933 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000538058157 1013634972 /nfs/dbraw/zinc/63/49/72/1013634972.db2.gz RNJNRUKJNAVHMK-QZTJIDSGSA-N 2 1 401.576 3.559 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000061230261 966403500 /nfs/dbraw/zinc/40/35/00/966403500.db2.gz WBTZRJIFCWMAQG-RPWUZVMVSA-N 2 1 406.574 3.787 20 0 HHADMP CC[NH+]1CCC([NH2+]Cc2cc(Br)c(OC)c(Br)c2)CC1 ZINC000037991342 966477789 /nfs/dbraw/zinc/47/77/89/966477789.db2.gz DIVPZWOTZANXCB-UHFFFAOYSA-N 2 1 406.162 3.794 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000056846297 966490512 /nfs/dbraw/zinc/49/05/12/966490512.db2.gz ZGOGVGMHCJKZNH-UHFFFAOYSA-N 2 1 414.569 3.939 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000056950117 966526789 /nfs/dbraw/zinc/52/67/89/966526789.db2.gz UDQPSHCKOJWLHA-JOCHJYFZSA-N 2 1 400.542 3.768 20 0 HHADMP C[C@H](CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)[N@@H+]1CCc2ccccc2C1 ZINC000061788588 966553351 /nfs/dbraw/zinc/55/33/51/966553351.db2.gz HNGNLSUNKDQPBK-LJQANCHMSA-N 2 1 424.614 3.804 20 0 HHADMP C[C@H](CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)[N@H+]1CCc2ccccc2C1 ZINC000061788588 966553359 /nfs/dbraw/zinc/55/33/59/966553359.db2.gz HNGNLSUNKDQPBK-LJQANCHMSA-N 2 1 424.614 3.804 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000061791761 966555481 /nfs/dbraw/zinc/55/54/81/966555481.db2.gz WMPIWZVQXYVYEB-UHFFFAOYSA-N 2 1 418.651 3.862 20 0 HHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000063702434 966932145 /nfs/dbraw/zinc/93/21/45/966932145.db2.gz CEGFXSLWFINRPH-DEOSSOPVSA-N 2 1 405.586 3.927 20 0 HHADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000043391245 966963999 /nfs/dbraw/zinc/96/39/99/966963999.db2.gz MNZQXTFSMRXQCV-QFIPXVFZSA-N 2 1 416.610 3.929 20 0 HHADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000043391245 966964004 /nfs/dbraw/zinc/96/40/04/966964004.db2.gz MNZQXTFSMRXQCV-QFIPXVFZSA-N 2 1 416.610 3.929 20 0 HHADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000043391245 966964011 /nfs/dbraw/zinc/96/40/11/966964011.db2.gz MNZQXTFSMRXQCV-QFIPXVFZSA-N 2 1 416.610 3.929 20 0 HHADMP Cc1ccc(-c2noc([C@H](C)[NH+]3CCC(CC[NH+]4CCOCC4)CC3)n2)cc1F ZINC000064344478 967148427 /nfs/dbraw/zinc/14/84/27/967148427.db2.gz SBIISUYNVHMSIR-KRWDZBQOSA-N 2 1 402.514 3.679 20 0 HHADMP Cc1ccc(C[N@@H+](CCc2ccccc2)CC(=O)NC2CC[NH+](C3CC3)CC2)s1 ZINC000064507737 967217930 /nfs/dbraw/zinc/21/79/30/967217930.db2.gz ZTZBALJAVYZUSZ-UHFFFAOYSA-N 2 1 411.615 3.844 20 0 HHADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000542848109 1013707412 /nfs/dbraw/zinc/70/74/12/1013707412.db2.gz HQDFZAORUCPGBC-CLOONOSVSA-N 2 1 404.558 3.988 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000542848109 1013707419 /nfs/dbraw/zinc/70/74/19/1013707419.db2.gz HQDFZAORUCPGBC-CLOONOSVSA-N 3 1 404.558 3.988 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000542848109 1013707427 /nfs/dbraw/zinc/70/74/27/1013707427.db2.gz HQDFZAORUCPGBC-CLOONOSVSA-N 3 1 404.558 3.988 20 0 HHADMP C[NH+](C)C1(CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CCCCCC1 ZINC000064644538 967258245 /nfs/dbraw/zinc/25/82/45/967258245.db2.gz WOKDDZHSZRFYOF-IBGZPJMESA-N 2 1 406.640 3.914 20 0 HHADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000542854287 1013712033 /nfs/dbraw/zinc/71/20/33/1013712033.db2.gz QWJBNCHBXJTBLQ-BEFAXECRSA-N 2 1 409.452 3.993 20 0 HHADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000542854287 1013712037 /nfs/dbraw/zinc/71/20/37/1013712037.db2.gz QWJBNCHBXJTBLQ-BEFAXECRSA-N 2 1 409.452 3.993 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)NCC(C)(C)[N@H+]3CCC[C@@H](C)C3)c(C)c2)CC1 ZINC000065438612 967466419 /nfs/dbraw/zinc/46/64/19/967466419.db2.gz RZJRGVGHLGNWPE-LJQANCHMSA-N 2 1 415.626 3.769 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(N3CCCCC3)nc2)cc1 ZINC000542884875 1013732740 /nfs/dbraw/zinc/73/27/40/1013732740.db2.gz IPJATEMUJFEVKK-SFHVURJKSA-N 2 1 418.545 3.855 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCCOc2cccc(Cl)c2)cc1 ZINC000542885875 1013733518 /nfs/dbraw/zinc/73/35/18/1013733518.db2.gz KQSJOJBIICHNQB-INIZCTEOSA-N 2 1 412.921 3.680 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000553981817 1013735253 /nfs/dbraw/zinc/73/52/53/1013735253.db2.gz QDEMONKPYVYHSC-WSWWRLHASA-N 2 1 409.599 3.884 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000553981817 1013735255 /nfs/dbraw/zinc/73/52/55/1013735255.db2.gz QDEMONKPYVYHSC-WSWWRLHASA-N 2 1 409.599 3.884 20 0 HHADMP CC[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000047306007 968132741 /nfs/dbraw/zinc/13/27/41/968132741.db2.gz AMPHZZJZYQNVKJ-RUZDIDTESA-N 2 1 405.586 3.852 20 0 HHADMP COc1cccc([C@H](CNC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)[NH+](C)C)c1 ZINC000047936602 968370881 /nfs/dbraw/zinc/37/08/81/968370881.db2.gz KASWJWLPLUOWOB-QHCPKHFHSA-N 2 1 412.578 3.638 20 0 HHADMP CC[C@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)ccc1F ZINC000538261837 1013804177 /nfs/dbraw/zinc/80/41/77/1013804177.db2.gz XMCHWYSMZIYKMR-BPXKWBHBSA-N 2 1 401.501 3.785 20 0 HHADMP CC[C@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1F ZINC000538261837 1013804185 /nfs/dbraw/zinc/80/41/85/1013804185.db2.gz XMCHWYSMZIYKMR-BPXKWBHBSA-N 2 1 401.501 3.785 20 0 HHADMP COc1ccc(OC)c([C@H](C)NC(=O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000538268991 1013810014 /nfs/dbraw/zinc/81/00/14/1013810014.db2.gz SABQFMASDVJMCI-SJORKVTESA-N 2 1 422.529 3.726 20 0 HHADMP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000065939243 968730643 /nfs/dbraw/zinc/73/06/43/968730643.db2.gz DLQBNVRTVZKTRO-OAQYLSRUSA-N 2 1 415.528 3.767 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=S)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000066008576 968768205 /nfs/dbraw/zinc/76/82/05/968768205.db2.gz JMDVHGZDSBJPKH-MZKRTTBSSA-N 2 1 414.663 3.863 20 0 HHADMP C[NH+](C)C[C@@H](NC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1ccc(F)cc1 ZINC000554164306 1013831449 /nfs/dbraw/zinc/83/14/49/1013831449.db2.gz YRQWDGKPAURBSB-OAQYLSRUSA-N 2 1 416.566 3.799 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1cccs1 ZINC000072049422 968959510 /nfs/dbraw/zinc/95/95/10/968959510.db2.gz ZCUXAJRQTYUKTC-SFHVURJKSA-N 2 1 404.605 3.721 20 0 HHADMP C[NH+]1CCN(C(=O)C[C@H]2CC3(CC[NH+](Cc4ccsc4)CC3)c3ccccc32)CC1 ZINC000096052928 969042361 /nfs/dbraw/zinc/04/23/61/969042361.db2.gz AEZMXAAKQIGKSV-NRFANRHFSA-N 2 1 423.626 3.933 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000096627911 969049019 /nfs/dbraw/zinc/04/90/19/969049019.db2.gz NVKHLMXAAPLNFE-JOCHJYFZSA-N 2 1 406.574 3.679 20 0 HHADMP COc1cccc([C@@H](CNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)[NH+](C)C)c1 ZINC000108414281 969381472 /nfs/dbraw/zinc/38/14/72/969381472.db2.gz RDIGFJMSPJWHNC-HSZRJFAPSA-N 2 1 416.610 3.596 20 0 HHADMP COc1cccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)c1 ZINC000108929488 969435868 /nfs/dbraw/zinc/43/58/68/969435868.db2.gz XNIAVVMXOARWJA-NOZRDPDXSA-N 2 1 421.585 3.861 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000109015967 969449954 /nfs/dbraw/zinc/44/99/54/969449954.db2.gz NNKBPNGIGDJTSU-VWNXMTODSA-N 2 1 409.549 3.991 20 0 HHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000109312943 969496355 /nfs/dbraw/zinc/49/63/55/969496355.db2.gz UMPXOTJIEZKHLC-VWLOTQADSA-N 2 1 420.601 3.816 20 0 HHADMP O=C(NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000109312943 969496356 /nfs/dbraw/zinc/49/63/56/969496356.db2.gz UMPXOTJIEZKHLC-VWLOTQADSA-N 2 1 420.601 3.816 20 0 HHADMP C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000109545339 969531208 /nfs/dbraw/zinc/53/12/08/969531208.db2.gz URKODYHFQGXXFS-INIZCTEOSA-N 2 1 404.942 3.885 20 0 HHADMP CC[N@H+](Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1)C(C)C ZINC000110175673 969633417 /nfs/dbraw/zinc/63/34/17/969633417.db2.gz ZVTGXTBLNOIOMB-QFIPXVFZSA-N 2 1 422.617 3.857 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1)C(C)C ZINC000110175673 969633424 /nfs/dbraw/zinc/63/34/24/969633424.db2.gz ZVTGXTBLNOIOMB-QFIPXVFZSA-N 2 1 422.617 3.857 20 0 HHADMP CC[NH+](CC)[C@@H](C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccccc1 ZINC000111100480 969777191 /nfs/dbraw/zinc/77/71/91/969777191.db2.gz NVAWGIOQEHBVPR-HYBUGGRVSA-N 2 1 409.574 3.607 20 0 HHADMP CC[NH+](CC)[C@@H](C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccccc1 ZINC000111100480 969777197 /nfs/dbraw/zinc/77/71/97/969777197.db2.gz NVAWGIOQEHBVPR-HYBUGGRVSA-N 2 1 409.574 3.607 20 0 HHADMP CCN(C(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000116395347 969891244 /nfs/dbraw/zinc/89/12/44/969891244.db2.gz KPYFFFIMNDRRFW-FTBPSBKWSA-N 2 1 420.601 3.978 20 0 HHADMP CCN(C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000116395347 969891248 /nfs/dbraw/zinc/89/12/48/969891248.db2.gz KPYFFFIMNDRRFW-FTBPSBKWSA-N 2 1 420.601 3.978 20 0 HHADMP CCN(C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000116395347 969891256 /nfs/dbraw/zinc/89/12/56/969891256.db2.gz KPYFFFIMNDRRFW-FTBPSBKWSA-N 2 1 420.601 3.978 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)c1 ZINC000141407465 970113097 /nfs/dbraw/zinc/11/30/97/970113097.db2.gz LPNLNVPJXQNWJU-DEOSSOPVSA-N 2 1 408.590 3.850 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000141407465 970113104 /nfs/dbraw/zinc/11/31/04/970113104.db2.gz LPNLNVPJXQNWJU-DEOSSOPVSA-N 2 1 408.590 3.850 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000141407465 970113109 /nfs/dbraw/zinc/11/31/09/970113109.db2.gz LPNLNVPJXQNWJU-DEOSSOPVSA-N 2 1 408.590 3.850 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)cc2)C[C@@H](C)O1 ZINC000227697181 970120798 /nfs/dbraw/zinc/12/07/98/970120798.db2.gz VUINZWOBCFQCTB-PWRODBHTSA-N 2 1 401.595 3.680 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)cc2)C[C@@H](C)O1 ZINC000227697181 970120799 /nfs/dbraw/zinc/12/07/99/970120799.db2.gz VUINZWOBCFQCTB-PWRODBHTSA-N 2 1 401.595 3.680 20 0 HHADMP C[C@H]1[C@@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000554451173 1013954528 /nfs/dbraw/zinc/95/45/28/1013954528.db2.gz BRMZGOPGHCSNAC-RDPSFJRHSA-N 2 1 406.574 3.613 20 0 HHADMP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)ccc1OCC(=O)Nc1ccccc1 ZINC000236944630 970192082 /nfs/dbraw/zinc/19/20/82/970192082.db2.gz AOLWDZDTWZOLSV-FQEVSTJZSA-N 2 1 411.546 3.534 20 0 HHADMP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000236954078 970193784 /nfs/dbraw/zinc/19/37/84/970193784.db2.gz BHNHVBABDSGLJR-QGZVFWFLSA-N 2 1 423.026 3.739 20 0 HHADMP CCCn1c(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)nc2ccccc21 ZINC000237069469 970217181 /nfs/dbraw/zinc/21/71/81/970217181.db2.gz WUTFPKRXMXPPIY-UHFFFAOYSA-N 2 1 419.573 3.562 20 0 HHADMP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000237282098 970255038 /nfs/dbraw/zinc/25/50/38/970255038.db2.gz BRHGXAPYDPKXDM-GOSISDBHSA-N 2 1 411.546 3.675 20 0 HHADMP COc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1OCc1ccccc1 ZINC000237353258 970268208 /nfs/dbraw/zinc/26/82/08/970268208.db2.gz BWVLCACUYDPQEC-QFIPXVFZSA-N 2 1 410.558 3.865 20 0 HHADMP Clc1ccccc1[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)N1CCOCC1 ZINC000237650877 970329964 /nfs/dbraw/zinc/32/99/64/970329964.db2.gz SEIBJUHVCRIATH-DEOSSOPVSA-N 2 1 413.993 3.968 20 0 HHADMP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000237694096 970340578 /nfs/dbraw/zinc/34/05/78/970340578.db2.gz LKXGCMPQRHSNSQ-UHFFFAOYSA-N 2 1 418.585 3.843 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]Cc2ccccc2C(F)(F)F)c1 ZINC000237803876 970371409 /nfs/dbraw/zinc/37/14/09/970371409.db2.gz YIBOHQGEQNUQMM-UHFFFAOYSA-N 2 1 421.463 3.656 20 0 HHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000237879450 970387880 /nfs/dbraw/zinc/38/78/80/970387880.db2.gz FDZHZRSDLXAMKR-HXUWFJFHSA-N 2 1 416.997 3.792 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(Cl)c(Cl)c3)c2)C1 ZINC000237916010 970393398 /nfs/dbraw/zinc/39/33/98/970393398.db2.gz JDQCRAWBQOVDLS-GOSISDBHSA-N 2 1 406.357 3.981 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(C(F)(F)F)c3)c2)C1 ZINC000237916684 970394003 /nfs/dbraw/zinc/39/40/03/970394003.db2.gz XQBXMDCSLKEAOR-LJQANCHMSA-N 2 1 405.464 3.693 20 0 HHADMP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3nc(-c4ccccc4)cs3)c2)C1 ZINC000237941150 970400748 /nfs/dbraw/zinc/40/07/48/970400748.db2.gz VPACPGBIUGPJIO-NRFANRHFSA-N 2 1 420.582 3.797 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3nc(-c4ccccc4)cs3)c2)C1 ZINC000237941150 970400754 /nfs/dbraw/zinc/40/07/54/970400754.db2.gz VPACPGBIUGPJIO-NRFANRHFSA-N 2 1 420.582 3.797 20 0 HHADMP O[C@H](C[NH2+]Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C[NH+]1CCCC1 ZINC000237974445 970409405 /nfs/dbraw/zinc/40/94/05/970409405.db2.gz VUBXASSPMUCRKP-JOCHJYFZSA-N 2 1 424.976 3.798 20 0 HHADMP O[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000238072878 970434336 /nfs/dbraw/zinc/43/43/36/970434336.db2.gz SPACZWZOBWTSFG-QFIPXVFZSA-N 2 1 410.949 3.739 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)cc2)C[C@@H](C)O1 ZINC000248123036 970512385 /nfs/dbraw/zinc/51/23/85/970512385.db2.gz VUINZWOBCFQCTB-NJDAHSKKSA-N 2 1 401.595 3.680 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NCCCC[N@H+]3CCCC[C@H]3C)cc2)C[C@@H](C)O1 ZINC000248123036 970512392 /nfs/dbraw/zinc/51/23/92/970512392.db2.gz VUINZWOBCFQCTB-NJDAHSKKSA-N 2 1 401.595 3.680 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)C1 ZINC000248270784 970526871 /nfs/dbraw/zinc/52/68/71/970526871.db2.gz ZLPNFHGHIURIAI-WOZUAGRISA-N 2 1 415.622 3.782 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)C1 ZINC000248270784 970526882 /nfs/dbraw/zinc/52/68/82/970526882.db2.gz ZLPNFHGHIURIAI-WOZUAGRISA-N 2 1 415.622 3.782 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@@H]3CC[N@@H+]([C@H](C)c4ccccc4)C3)CC2)cs1 ZINC000250905510 970541385 /nfs/dbraw/zinc/54/13/85/970541385.db2.gz QZOGGZCDTDEFOO-DYESRHJHSA-N 2 1 412.603 3.615 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@@H]3CC[N@H+]([C@H](C)c4ccccc4)C3)CC2)cs1 ZINC000250905510 970541393 /nfs/dbraw/zinc/54/13/93/970541393.db2.gz QZOGGZCDTDEFOO-DYESRHJHSA-N 2 1 412.603 3.615 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C1 ZINC000251792126 970549525 /nfs/dbraw/zinc/54/95/25/970549525.db2.gz FYRBYLABKHGUKX-CIAFKFPVSA-N 2 1 415.622 3.784 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C1 ZINC000251792126 970549532 /nfs/dbraw/zinc/54/95/32/970549532.db2.gz FYRBYLABKHGUKX-CIAFKFPVSA-N 2 1 415.622 3.784 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)C1 ZINC000251792134 970549856 /nfs/dbraw/zinc/54/98/56/970549856.db2.gz FYRBYLABKHGUKX-LRSLUSHPSA-N 2 1 415.622 3.784 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)C1 ZINC000251792134 970549866 /nfs/dbraw/zinc/54/98/66/970549866.db2.gz FYRBYLABKHGUKX-LRSLUSHPSA-N 2 1 415.622 3.784 20 0 HHADMP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000554740251 1014035261 /nfs/dbraw/zinc/03/52/61/1014035261.db2.gz DIVYRQUBMXSIMG-GOSISDBHSA-N 2 1 408.468 3.993 20 0 HHADMP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(Br)c1O ZINC000311061614 972625805 /nfs/dbraw/zinc/62/58/05/972625805.db2.gz XDSUEYKALPACPT-MRXNPFEDSA-N 2 1 405.336 3.775 20 0 HHADMP C[C@H](c1nnc(-c2ccccc2F)s1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000554812007 1014055119 /nfs/dbraw/zinc/05/51/19/1014055119.db2.gz JQILDUBVXQSDJP-QGZVFWFLSA-N 2 1 417.598 3.755 20 0 HHADMP CCOc1c(Br)cc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1Br ZINC000392281973 972851755 /nfs/dbraw/zinc/85/17/55/972851755.db2.gz JFFQYUDUSPMVRT-UHFFFAOYSA-N 2 1 418.173 3.962 20 0 HHADMP CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000409455709 972900781 /nfs/dbraw/zinc/90/07/81/972900781.db2.gz YOOYEFRLTBHZLZ-NZQKXSOJSA-N 2 1 409.574 3.973 20 0 HHADMP C[N@@H+](CCCNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)C1CCCCC1 ZINC000410309795 973851170 /nfs/dbraw/zinc/85/11/70/973851170.db2.gz CJOTUQNEZBOWFA-UHFFFAOYSA-N 2 1 400.611 3.647 20 0 HHADMP C[N@@H+](CCCNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)Cc1ccccc1 ZINC000410330023 973897995 /nfs/dbraw/zinc/89/79/95/973897995.db2.gz VWOPMQANNRKNJB-UHFFFAOYSA-N 2 1 408.590 3.515 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000410351749 973942866 /nfs/dbraw/zinc/94/28/66/973942866.db2.gz HHSKISXUUMTAAA-BWKNWUBXSA-N 2 1 420.601 3.992 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000410351749 973942879 /nfs/dbraw/zinc/94/28/79/973942879.db2.gz HHSKISXUUMTAAA-BWKNWUBXSA-N 2 1 420.601 3.992 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000410351749 973942895 /nfs/dbraw/zinc/94/28/95/973942895.db2.gz HHSKISXUUMTAAA-BWKNWUBXSA-N 2 1 420.601 3.992 20 0 HHADMP Cc1cc(C)c(NC(=O)CCC[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c(C)c1 ZINC000425991863 974104722 /nfs/dbraw/zinc/10/47/22/974104722.db2.gz YOLSTOLFUNCDIQ-SANMLTNESA-N 2 1 423.601 3.899 20 0 HHADMP Cc1cc(C)c(NC(=O)CCC[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c(C)c1 ZINC000425991863 974104728 /nfs/dbraw/zinc/10/47/28/974104728.db2.gz YOLSTOLFUNCDIQ-SANMLTNESA-N 2 1 423.601 3.899 20 0 HHADMP Cc1cc(C)c(NC(=O)CCC[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000425991863 974104735 /nfs/dbraw/zinc/10/47/35/974104735.db2.gz YOLSTOLFUNCDIQ-SANMLTNESA-N 2 1 423.601 3.899 20 0 HHADMP Cc1cc(C)c(NC(=O)CCC[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000425991863 974104752 /nfs/dbraw/zinc/10/47/52/974104752.db2.gz YOLSTOLFUNCDIQ-SANMLTNESA-N 2 1 423.601 3.899 20 0 HHADMP COc1ccccc1C(C)(C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000426637942 974576018 /nfs/dbraw/zinc/57/60/18/974576018.db2.gz NVFHOODGSQONDY-UHFFFAOYSA-N 2 1 415.622 3.628 20 0 HHADMP CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000426789615 974660881 /nfs/dbraw/zinc/66/08/81/974660881.db2.gz WIBMJFSOFSCDDQ-FHWLQOOXSA-N 2 1 419.635 3.947 20 0 HHADMP Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426799213 974669326 /nfs/dbraw/zinc/66/93/26/974669326.db2.gz KJOZNKDGNAZTDK-QZTJIDSGSA-N 2 1 407.986 3.798 20 0 HHADMP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426826908 974692003 /nfs/dbraw/zinc/69/20/03/974692003.db2.gz QIKBDCCHEZAQBL-LRSLUSHPSA-N 2 1 415.622 3.772 20 0 HHADMP COc1ccc(C)cc1NC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000426828973 974693793 /nfs/dbraw/zinc/69/37/93/974693793.db2.gz NDRVZEWWQOJPIR-UFYCRDLUSA-N 2 1 417.594 3.542 20 0 HHADMP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000428264127 975577953 /nfs/dbraw/zinc/57/79/53/975577953.db2.gz UXGLSJJWXXTXTF-DNRQZRRGSA-N 2 1 420.601 3.786 20 0 HHADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000428264127 975577967 /nfs/dbraw/zinc/57/79/67/975577967.db2.gz UXGLSJJWXXTXTF-DNRQZRRGSA-N 2 1 420.601 3.786 20 0 HHADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000428264127 975577975 /nfs/dbraw/zinc/57/79/75/975577975.db2.gz UXGLSJJWXXTXTF-DNRQZRRGSA-N 2 1 420.601 3.786 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[NH+](C)C)cc1 ZINC000428683710 975975454 /nfs/dbraw/zinc/97/54/54/975975454.db2.gz GDGGXTLBUUTXHH-ZTCOLXNVSA-N 2 1 408.590 3.950 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)[nH+]1 ZINC000428868033 976158366 /nfs/dbraw/zinc/15/83/66/976158366.db2.gz SGBCRTBFZDLYSQ-OFNKIYASSA-N 2 1 421.589 3.711 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)[nH+]1 ZINC000428868033 976158374 /nfs/dbraw/zinc/15/83/74/976158374.db2.gz SGBCRTBFZDLYSQ-OFNKIYASSA-N 2 1 421.589 3.711 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NCC[NH+](C)Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000428918178 976219044 /nfs/dbraw/zinc/21/90/44/976219044.db2.gz AVYMYZDDJBTQJC-AUSIDOKSSA-N 2 1 412.553 3.610 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000428918178 976219056 /nfs/dbraw/zinc/21/90/56/976219056.db2.gz AVYMYZDDJBTQJC-AUSIDOKSSA-N 2 1 412.553 3.610 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000428918178 976219072 /nfs/dbraw/zinc/21/90/72/976219072.db2.gz AVYMYZDDJBTQJC-AUSIDOKSSA-N 2 1 412.553 3.610 20 0 HHADMP C[C@@H](CCNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000429085409 976371786 /nfs/dbraw/zinc/37/17/86/976371786.db2.gz YPKXCZDNYXVALO-SFTDATJTSA-N 2 1 423.605 3.817 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000429233353 976525003 /nfs/dbraw/zinc/52/50/03/976525003.db2.gz MIQPTMVTKUYZBV-MRXNPFEDSA-N 2 1 421.383 3.797 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000429233353 976525015 /nfs/dbraw/zinc/52/50/15/976525015.db2.gz MIQPTMVTKUYZBV-MRXNPFEDSA-N 2 1 421.383 3.797 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCCO2)cc1)C(C)C ZINC000429324660 976591557 /nfs/dbraw/zinc/59/15/57/976591557.db2.gz FMELZJBVSJTEPV-VWLOTQADSA-N 2 1 423.601 3.938 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1)C(C)C ZINC000429324660 976591565 /nfs/dbraw/zinc/59/15/65/976591565.db2.gz FMELZJBVSJTEPV-VWLOTQADSA-N 2 1 423.601 3.938 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1)C(C)C ZINC000429324660 976591575 /nfs/dbraw/zinc/59/15/75/976591575.db2.gz FMELZJBVSJTEPV-VWLOTQADSA-N 2 1 423.601 3.938 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)C[C@@H]1C ZINC000429497571 976754409 /nfs/dbraw/zinc/75/44/09/976754409.db2.gz QXZQFUSAXLZNKN-AJSBUHFISA-N 2 1 414.638 3.974 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)C[C@@H]1C ZINC000429497571 976754412 /nfs/dbraw/zinc/75/44/12/976754412.db2.gz QXZQFUSAXLZNKN-AJSBUHFISA-N 2 1 414.638 3.974 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)C[C@@H]1C ZINC000429497571 976754420 /nfs/dbraw/zinc/75/44/20/976754420.db2.gz QXZQFUSAXLZNKN-AJSBUHFISA-N 2 1 414.638 3.974 20 0 HHADMP C[C@H](NC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000430236861 977410942 /nfs/dbraw/zinc/41/09/42/977410942.db2.gz CDAVKIDFLBTXOL-XTJBDQBJSA-N 2 1 412.622 3.993 20 0 HHADMP C[C@H](NC(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000430236861 977410949 /nfs/dbraw/zinc/41/09/49/977410949.db2.gz CDAVKIDFLBTXOL-XTJBDQBJSA-N 2 1 412.622 3.993 20 0 HHADMP C[C@H](NC(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000430236861 977410954 /nfs/dbraw/zinc/41/09/54/977410954.db2.gz CDAVKIDFLBTXOL-XTJBDQBJSA-N 2 1 412.622 3.993 20 0 HHADMP COc1ccc2nc(C(=O)N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)ccc2c1 ZINC000430667530 977678488 /nfs/dbraw/zinc/67/84/88/977678488.db2.gz FMWCNRQLXJEJID-UHFFFAOYSA-N 2 1 424.589 3.512 20 0 HHADMP Cc1cc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)n1C1CC1 ZINC000430670437 977681123 /nfs/dbraw/zinc/68/11/23/977681123.db2.gz NBPYDTLRCLPXKB-UHFFFAOYSA-N 2 1 400.611 3.708 20 0 HHADMP Cc1ccc(CSCC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000430671752 977682854 /nfs/dbraw/zinc/68/28/54/977682854.db2.gz RGDHXFOSPGHIJS-UHFFFAOYSA-N 2 1 417.663 3.883 20 0 HHADMP CCc1cccc2c(CC(=O)N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)c[nH]c21 ZINC000430672642 977683829 /nfs/dbraw/zinc/68/38/29/977683829.db2.gz VONQFJMGYLYLKC-UHFFFAOYSA-N 2 1 424.633 3.928 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cc(F)c(F)cc1Cl ZINC000430673408 977684788 /nfs/dbraw/zinc/68/47/88/977684788.db2.gz CGXXEISVBRUQBR-UHFFFAOYSA-N 2 1 413.940 3.887 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000430674272 977685000 /nfs/dbraw/zinc/68/50/00/977685000.db2.gz IKKUJKOZPNVGDU-PMACEKPBSA-N 2 1 419.560 3.723 20 0 HHADMP Cc1nc(-c2ccco2)ccc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430678340 977688800 /nfs/dbraw/zinc/68/88/00/977688800.db2.gz MGYARCAOOBJJCQ-UHFFFAOYSA-N 2 1 424.589 3.918 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000430678278 977688815 /nfs/dbraw/zinc/68/88/15/977688815.db2.gz SIGGDUNOEVEXRW-BDYUSTAISA-N 2 1 423.645 3.935 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000430678280 977688936 /nfs/dbraw/zinc/68/89/36/977688936.db2.gz SIGGDUNOEVEXRW-XNMGPUDCSA-N 2 1 423.645 3.935 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCCOc1ccccc1 ZINC000430679909 977689721 /nfs/dbraw/zinc/68/97/21/977689721.db2.gz WRUCRSAEQWWAGE-UHFFFAOYSA-N 2 1 401.595 3.500 20 0 HHADMP COc1ccccc1COC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000430828635 977784219 /nfs/dbraw/zinc/78/42/19/977784219.db2.gz BXGZBILIQYUYHZ-FGCOXFRFSA-N 2 1 412.574 3.558 20 0 HHADMP COc1ccccc1COC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000430828635 977784231 /nfs/dbraw/zinc/78/42/31/977784231.db2.gz BXGZBILIQYUYHZ-FGCOXFRFSA-N 2 1 412.574 3.558 20 0 HHADMP COc1ccccc1COC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430828635 977784236 /nfs/dbraw/zinc/78/42/36/977784236.db2.gz BXGZBILIQYUYHZ-FGCOXFRFSA-N 2 1 412.574 3.558 20 0 HHADMP COc1ccccc1COC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430828635 977784246 /nfs/dbraw/zinc/78/42/46/977784246.db2.gz BXGZBILIQYUYHZ-FGCOXFRFSA-N 2 1 412.574 3.558 20 0 HHADMP CN(CC[N@@H+](C)CCC(=O)Nc1ccccc1Oc1ccccc1)C1CC[NH+](C)CC1 ZINC000430986185 977931958 /nfs/dbraw/zinc/93/19/58/977931958.db2.gz BVAITNUNNXTGTG-UHFFFAOYSA-N 2 1 424.589 3.765 20 0 HHADMP Cc1cc(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000431114244 978026863 /nfs/dbraw/zinc/02/68/63/978026863.db2.gz KVHOUMKEXPSGAV-UXHICEINSA-N 2 1 416.614 3.577 20 0 HHADMP Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)n(C2CC[NH+](C)CC2)n1 ZINC000431136350 978041812 /nfs/dbraw/zinc/04/18/12/978041812.db2.gz IXJRGBNMRRIYDZ-FQEVSTJZSA-N 2 1 424.593 3.587 20 0 HHADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cc2)CC1 ZINC000431322758 978207723 /nfs/dbraw/zinc/20/77/23/978207723.db2.gz YAEIUTZBPVZTKC-ZJSXRUAMSA-N 2 1 420.601 3.611 20 0 HHADMP CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000431652761 978412488 /nfs/dbraw/zinc/41/24/88/978412488.db2.gz WMKMOOMHGOLHGN-ZJSXRUAMSA-N 2 1 414.638 3.954 20 0 HHADMP C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431660926 978418916 /nfs/dbraw/zinc/41/89/16/978418916.db2.gz ORILVCLEOASTLH-NTKDMRAZSA-N 2 1 412.622 3.758 20 0 HHADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000431662693 978419292 /nfs/dbraw/zinc/41/92/92/978419292.db2.gz RHMDGHUEWDUJIP-TZIWHRDSSA-N 2 1 401.599 3.559 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000431674771 978428581 /nfs/dbraw/zinc/42/85/81/978428581.db2.gz UUYCBFFIZTYDLC-YPAWHYETSA-N 2 1 404.643 3.793 20 0 HHADMP C[C@H]1C[C@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000431677698 978430522 /nfs/dbraw/zinc/43/05/22/978430522.db2.gz FGCGIHFWFKHZTK-RBBKRZOGSA-N 2 1 424.589 3.939 20 0 HHADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000431690588 978438126 /nfs/dbraw/zinc/43/81/26/978438126.db2.gz KCBWMCSBKHQULN-CTNGQTDRSA-N 2 1 401.599 3.559 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C[C@@H](c3ccccc3)[NH+](C)C)cc2)C[C@H](C)O1 ZINC000431903450 978588617 /nfs/dbraw/zinc/58/86/17/978588617.db2.gz UETYPNVVPGJPSJ-ROKPMTFOSA-N 2 1 409.574 3.605 20 0 HHADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CCCO1 ZINC000432345416 978769137 /nfs/dbraw/zinc/76/91/37/978769137.db2.gz HQHIIUZGNWSGJM-HXUWFJFHSA-N 2 1 405.546 3.525 20 0 HHADMP Cc1cccn2cc(COc3ccc(C[NH2+]CCC[N@H+]4CCCO[C@H](C)C4)cc3)nc12 ZINC000432345802 978769555 /nfs/dbraw/zinc/76/95/55/978769555.db2.gz GVXMOCLIOBWHET-OAQYLSRUSA-N 2 1 422.573 3.812 20 0 HHADMP CC(C)[N@H+](Cc1ccc(NC(=O)NCC[NH+]2CC=CCC2)cc1)C[C@H]1CCCCO1 ZINC000432368506 978781085 /nfs/dbraw/zinc/78/10/85/978781085.db2.gz QPDKSVFAMAPIMN-HSZRJFAPSA-N 2 1 414.594 3.850 20 0 HHADMP CC(C)[NH+](Cc1ccc(NC(=O)NCC[N@H+]2CC=CCC2)cc1)C[C@H]1CCCCO1 ZINC000432368506 978781087 /nfs/dbraw/zinc/78/10/87/978781087.db2.gz QPDKSVFAMAPIMN-HSZRJFAPSA-N 2 1 414.594 3.850 20 0 HHADMP CC(C)[NH+](Cc1ccc(NC(=O)NCC[N@@H+]2CC=CCC2)cc1)C[C@H]1CCCCO1 ZINC000432368506 978781092 /nfs/dbraw/zinc/78/10/92/978781092.db2.gz QPDKSVFAMAPIMN-HSZRJFAPSA-N 2 1 414.594 3.850 20 0 HHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000432426365 978807266 /nfs/dbraw/zinc/80/72/66/978807266.db2.gz ZNLPGRUHINFRFV-DYXWJJEUSA-N 2 1 408.558 3.925 20 0 HHADMP COc1cc(C[NH+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)cc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c1 ZINC000432791800 978975341 /nfs/dbraw/zinc/97/53/41/978975341.db2.gz IBLPFWAWDGOHMX-QOOAILMYSA-N 2 1 418.622 3.658 20 0 HHADMP COc1cc(C[NH+]2CC[C@H](C)C[C@@H]2[C@H](C)O)cc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)c1 ZINC000432791800 978975344 /nfs/dbraw/zinc/97/53/44/978975344.db2.gz IBLPFWAWDGOHMX-QOOAILMYSA-N 2 1 418.622 3.658 20 0 HHADMP COc1cc(C[NH+]2CC[C@H](C)C[C@@H]2[C@H](C)O)cc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)c1 ZINC000432791800 978975345 /nfs/dbraw/zinc/97/53/45/978975345.db2.gz IBLPFWAWDGOHMX-QOOAILMYSA-N 2 1 418.622 3.658 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nccc(Oc2ccccc2)n1 ZINC000432848564 978990955 /nfs/dbraw/zinc/99/09/55/978990955.db2.gz VWCBVTSYJIQQMR-UHFFFAOYSA-N 2 1 409.578 3.901 20 0 HHADMP COc1cc(CN2CCC[NH+](C(C)C)CC2)cc(CN2CCC[N@H+](C(C)C)CC2)c1 ZINC000432944612 979018357 /nfs/dbraw/zinc/01/83/57/979018357.db2.gz SVIHNJBBFBFARU-UHFFFAOYSA-N 2 1 416.654 3.527 20 0 HHADMP C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433117830 979081233 /nfs/dbraw/zinc/08/12/33/979081233.db2.gz VKHKHUSEKJVBIM-HXUWFJFHSA-N 2 1 409.549 3.819 20 0 HHADMP COc1cccc(CN(C)C(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433130083 979088996 /nfs/dbraw/zinc/08/89/96/979088996.db2.gz QKRCKAXUHVXTEN-UHFFFAOYSA-N 2 1 421.585 3.642 20 0 HHADMP CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433131382 979089773 /nfs/dbraw/zinc/08/97/73/979089773.db2.gz UUSQLTAOKKYCRO-UHFFFAOYSA-N 2 1 409.549 3.772 20 0 HHADMP COc1cccc(COC[C@@H](O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433132339 979090776 /nfs/dbraw/zinc/09/07/76/979090776.db2.gz XAHMPNDLDQMLIY-DEOSSOPVSA-N 2 1 424.585 3.561 20 0 HHADMP O=C(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1nc2c(s1)CCC2 ZINC000433175470 979119005 /nfs/dbraw/zinc/11/90/05/979119005.db2.gz OJCNCDOWOJICPH-UHFFFAOYSA-N 2 1 410.587 3.558 20 0 HHADMP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1nc2c(s1)CCC2 ZINC000433175470 979119009 /nfs/dbraw/zinc/11/90/09/979119009.db2.gz OJCNCDOWOJICPH-UHFFFAOYSA-N 2 1 410.587 3.558 20 0 HHADMP COc1cc(C[NH+]2CCCC[C@@H]2C[C@H](C)O)cc(C[N@H+]2CCCC[C@H]2C[C@H](C)O)c1 ZINC000433203437 979139192 /nfs/dbraw/zinc/13/91/92/979139192.db2.gz XOAMQSBXMMFFRC-NVXDSCFRSA-N 2 1 418.622 3.946 20 0 HHADMP COc1cc(C[NH+]2CCCC[C@H]2C[C@H](C)O)cc(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)c1 ZINC000433203437 979139196 /nfs/dbraw/zinc/13/91/96/979139196.db2.gz XOAMQSBXMMFFRC-NVXDSCFRSA-N 2 1 418.622 3.946 20 0 HHADMP COc1cc(C[NH+]2CCCC[C@H]2C[C@H](C)O)cc(C[N@H+]2CCCC[C@@H]2C[C@H](C)O)c1 ZINC000433203437 979139198 /nfs/dbraw/zinc/13/91/98/979139198.db2.gz XOAMQSBXMMFFRC-NVXDSCFRSA-N 2 1 418.622 3.946 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000433363180 979256975 /nfs/dbraw/zinc/25/69/75/979256975.db2.gz GYUACTPSTAASHU-VWNXMTODSA-N 2 1 409.574 3.898 20 0 HHADMP Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000434313604 980074230 /nfs/dbraw/zinc/07/42/30/980074230.db2.gz AVBAWMFHGXLFTB-IRLDBZIGSA-N 2 1 409.578 3.842 20 0 HHADMP Cc1cnn([C@H]2CC[NH+](Cc3ccccc3)C2)c1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000434334554 980098473 /nfs/dbraw/zinc/09/84/73/980098473.db2.gz JXBCOFSWVLTBCZ-QHCPKHFHSA-N 2 1 417.557 3.709 20 0 HHADMP Cc1cnn([C@H]2CC[NH+](Cc3ccccc3)C2)c1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000434334554 980098481 /nfs/dbraw/zinc/09/84/81/980098481.db2.gz JXBCOFSWVLTBCZ-QHCPKHFHSA-N 2 1 417.557 3.709 20 0 HHADMP Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C[NH+](C)Cc1ccccc1 ZINC000434334554 980098485 /nfs/dbraw/zinc/09/84/85/980098485.db2.gz JXBCOFSWVLTBCZ-QHCPKHFHSA-N 2 1 417.557 3.709 20 0 HHADMP Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)C[NH+](C)Cc1ccccc1 ZINC000434334554 980098492 /nfs/dbraw/zinc/09/84/92/980098492.db2.gz JXBCOFSWVLTBCZ-QHCPKHFHSA-N 2 1 417.557 3.709 20 0 HHADMP Cc1cc(NC(=O)NCCC[NH+]2CCCCC2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435520934 980917105 /nfs/dbraw/zinc/91/71/05/980917105.db2.gz UJVPOFRPNJTTKC-JOCHJYFZSA-N 2 1 424.593 3.636 20 0 HHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cnn(Cc4ccc(F)cc4)c3)CC2)oc1C ZINC000436229657 981260290 /nfs/dbraw/zinc/26/02/90/981260290.db2.gz SUXZVXZFILDOOH-UHFFFAOYSA-N 2 1 411.525 3.677 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000448205134 981617426 /nfs/dbraw/zinc/61/74/26/981617426.db2.gz NZLDJRFAAGTBIS-FUSLQDLPSA-N 2 1 422.617 3.840 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448205134 981617429 /nfs/dbraw/zinc/61/74/29/981617429.db2.gz NZLDJRFAAGTBIS-FUSLQDLPSA-N 2 1 422.617 3.840 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448205134 981617431 /nfs/dbraw/zinc/61/74/31/981617431.db2.gz NZLDJRFAAGTBIS-FUSLQDLPSA-N 2 1 422.617 3.840 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000448205427 981618079 /nfs/dbraw/zinc/61/80/79/981618079.db2.gz PSUNDELAMMHPJY-SFTDATJTSA-N 2 1 400.611 3.879 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000448208014 981621494 /nfs/dbraw/zinc/62/14/94/981621494.db2.gz CXTQJFUACIWNCQ-QHCPKHFHSA-N 2 1 400.611 3.566 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000448210407 981624195 /nfs/dbraw/zinc/62/41/95/981624195.db2.gz ZYRWRMMFADRMTC-BKXMBWNOSA-N 2 1 410.606 3.555 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448210407 981624199 /nfs/dbraw/zinc/62/41/99/981624199.db2.gz ZYRWRMMFADRMTC-BKXMBWNOSA-N 2 1 410.606 3.555 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448210407 981624202 /nfs/dbraw/zinc/62/42/02/981624202.db2.gz ZYRWRMMFADRMTC-BKXMBWNOSA-N 2 1 410.606 3.555 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000448210965 981624686 /nfs/dbraw/zinc/62/46/86/981624686.db2.gz DVAOOSSXJHFKGD-WWNPGLIZSA-N 2 1 400.611 3.707 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000448210965 981624692 /nfs/dbraw/zinc/62/46/92/981624692.db2.gz DVAOOSSXJHFKGD-WWNPGLIZSA-N 2 1 400.611 3.707 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000448210965 981624697 /nfs/dbraw/zinc/62/46/97/981624697.db2.gz DVAOOSSXJHFKGD-WWNPGLIZSA-N 2 1 400.611 3.707 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000448258929 981659699 /nfs/dbraw/zinc/65/96/99/981659699.db2.gz ZQWFAPQCWZSRTH-BAGYTPMASA-N 2 1 400.611 3.801 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC[NH+]1Cc1ccccc1 ZINC000448258929 981659701 /nfs/dbraw/zinc/65/97/01/981659701.db2.gz ZQWFAPQCWZSRTH-BAGYTPMASA-N 2 1 400.611 3.801 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC[NH+]1Cc1ccccc1 ZINC000448258929 981659703 /nfs/dbraw/zinc/65/97/03/981659703.db2.gz ZQWFAPQCWZSRTH-BAGYTPMASA-N 2 1 400.611 3.801 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000448463439 981797076 /nfs/dbraw/zinc/79/70/76/981797076.db2.gz BTRHOMJDMUWTTQ-ILWGZMRPSA-N 2 1 416.610 3.594 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000448466731 981802484 /nfs/dbraw/zinc/80/24/84/981802484.db2.gz NTKUXFXDHBRYCJ-QTEQDKRBSA-N 2 1 400.611 3.933 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000448466731 981802493 /nfs/dbraw/zinc/80/24/93/981802493.db2.gz NTKUXFXDHBRYCJ-QTEQDKRBSA-N 2 1 400.611 3.933 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000448466731 981802507 /nfs/dbraw/zinc/80/25/07/981802507.db2.gz NTKUXFXDHBRYCJ-QTEQDKRBSA-N 2 1 400.611 3.933 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000448473816 981815899 /nfs/dbraw/zinc/81/58/99/981815899.db2.gz UHTIRLUXANJSRS-SGKWCMOWSA-N 2 1 414.638 3.810 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000448473816 981815917 /nfs/dbraw/zinc/81/59/17/981815917.db2.gz UHTIRLUXANJSRS-SGKWCMOWSA-N 2 1 414.638 3.810 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000448473816 981815936 /nfs/dbraw/zinc/81/59/36/981815936.db2.gz UHTIRLUXANJSRS-SGKWCMOWSA-N 2 1 414.638 3.810 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)c1ccsc1 ZINC000460173775 981946211 /nfs/dbraw/zinc/94/62/11/981946211.db2.gz ZRWXQHOUCIPFSL-ILWGZMRPSA-N 2 1 412.603 3.514 20 0 HHADMP Cc1ccc(NC(=O)NC(=O)C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000460348089 982119793 /nfs/dbraw/zinc/11/97/93/982119793.db2.gz OHGNULMKFDOMLA-PMACEKPBSA-N 2 1 422.573 3.698 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)Nc1ccnn1C1CCCC1 ZINC000460353102 982126500 /nfs/dbraw/zinc/12/65/00/982126500.db2.gz PNNRHPBLLYCMDU-OALUTQOASA-N 2 1 409.578 3.683 20 0 HHADMP COc1ccccc1[C@H](C)NC(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000460363421 982138320 /nfs/dbraw/zinc/13/83/20/982138320.db2.gz OGTZVJKMBJKVBE-UFYCRDLUSA-N 2 1 409.574 3.619 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000460364365 982140491 /nfs/dbraw/zinc/14/04/91/982140491.db2.gz LFSQPIDDUPWVII-NTWACIBNSA-N 2 1 407.558 3.654 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000437548217 982178276 /nfs/dbraw/zinc/17/82/76/982178276.db2.gz KQTTXQBPHXUMJQ-WMZHIEFXSA-N 2 1 413.610 3.703 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)cc1)C(C)C ZINC000460481927 982273921 /nfs/dbraw/zinc/27/39/21/982273921.db2.gz WPYHURGDARWMNR-UHFFFAOYSA-N 2 1 414.638 3.597 20 0 HHADMP CC[N@H+](Cc1ccc(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)cc1)C(C)C ZINC000460481927 982273924 /nfs/dbraw/zinc/27/39/24/982273924.db2.gz WPYHURGDARWMNR-UHFFFAOYSA-N 2 1 414.638 3.597 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)cc1)C(C)C ZINC000460481927 982273925 /nfs/dbraw/zinc/27/39/25/982273925.db2.gz WPYHURGDARWMNR-UHFFFAOYSA-N 2 1 414.638 3.597 20 0 HHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000460950762 982685141 /nfs/dbraw/zinc/68/51/41/982685141.db2.gz SFZFXJDUQUSHIJ-RDABAPPSSA-N 2 1 400.611 3.849 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(CC[NH+](C)C)Cc3cccs3)cc2)C[C@H](C)O1 ZINC000438529400 982867944 /nfs/dbraw/zinc/86/79/44/982867944.db2.gz JHZYBBHFEYOOTD-KDURUIRLSA-N 2 1 415.603 3.561 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(CC[NH+](C)C)Cc3cccs3)cc2)C[C@H](C)O1 ZINC000438529400 982867955 /nfs/dbraw/zinc/86/79/55/982867955.db2.gz JHZYBBHFEYOOTD-KDURUIRLSA-N 2 1 415.603 3.561 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000438554895 982895323 /nfs/dbraw/zinc/89/53/23/982895323.db2.gz VASYBAMOLLUTRV-GOSISDBHSA-N 2 1 400.489 3.671 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000438650227 982968901 /nfs/dbraw/zinc/96/89/01/982968901.db2.gz QLJNUEYVVASXAZ-HXUWFJFHSA-N 2 1 411.550 3.754 20 0 HHADMP O=C(c1cccc(C[NH+]2CCCC2)c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461429653 983092438 /nfs/dbraw/zinc/09/24/38/983092438.db2.gz NWYYNJZKJBZLQK-LOSJGSFVSA-N 2 1 403.570 3.877 20 0 HHADMP C[C@H]1CN(c2ccc(C[NH2+]C3CCC([N@@H+](C)Cc4ccccc4)CC3)cn2)CCO1 ZINC000438829407 983100773 /nfs/dbraw/zinc/10/07/73/983100773.db2.gz CHDITMOCZNDMDP-XOYNAWAESA-N 2 1 408.590 3.840 20 0 HHADMP CCC[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccc(C)nc3)C[C@@H]2[C@H](C)CC)CC1 ZINC000438954525 983175456 /nfs/dbraw/zinc/17/54/56/983175456.db2.gz AINZLXACHAIINN-AUSIDOKSSA-N 2 1 415.626 3.506 20 0 HHADMP CCC[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccc(C)nc3)C[C@@H]2[C@H](C)CC)CC1 ZINC000438954525 983175459 /nfs/dbraw/zinc/17/54/59/983175459.db2.gz AINZLXACHAIINN-AUSIDOKSSA-N 2 1 415.626 3.506 20 0 HHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000439076383 983239373 /nfs/dbraw/zinc/23/93/73/983239373.db2.gz JDQQXTOEIKCYHO-ROUUACIJSA-N 2 1 411.546 3.725 20 0 HHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000439076383 983239380 /nfs/dbraw/zinc/23/93/80/983239380.db2.gz JDQQXTOEIKCYHO-ROUUACIJSA-N 2 1 411.546 3.725 20 0 HHADMP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000439340054 983372176 /nfs/dbraw/zinc/37/21/76/983372176.db2.gz HYPLHDIGCSQTCQ-SFHVURJKSA-N 2 1 420.648 3.795 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000439737462 983520554 /nfs/dbraw/zinc/52/05/54/983520554.db2.gz YFPIWVYQNDNJPA-JPYJTQIMSA-N 2 1 410.537 3.527 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000439737462 983520558 /nfs/dbraw/zinc/52/05/58/983520558.db2.gz YFPIWVYQNDNJPA-JPYJTQIMSA-N 2 1 410.537 3.527 20 0 HHADMP CC(C)[NH2+]C1CC[NH+](C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000440065836 983630494 /nfs/dbraw/zinc/63/04/94/983630494.db2.gz WDGSFLUZSOEVOQ-QHCPKHFHSA-N 2 1 418.528 3.894 20 0 HHADMP O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC000440104613 983646113 /nfs/dbraw/zinc/64/61/13/983646113.db2.gz MOUDQXOZYJQQPX-QFIPXVFZSA-N 2 1 412.578 3.847 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)C[N@@H+]1C1CC1 ZINC000440998307 984017125 /nfs/dbraw/zinc/01/71/25/984017125.db2.gz AWJNHEQWETVLRD-DNVCBOLYSA-N 2 1 424.511 3.594 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)C[N@H+]1C1CC1 ZINC000440998307 984017131 /nfs/dbraw/zinc/01/71/31/984017131.db2.gz AWJNHEQWETVLRD-DNVCBOLYSA-N 2 1 424.511 3.594 20 0 HHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)o1 ZINC000441330183 984188597 /nfs/dbraw/zinc/18/85/97/984188597.db2.gz FDDUFXBRYFYZPM-UHFFFAOYSA-N 2 1 407.562 3.556 20 0 HHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000441356067 984204590 /nfs/dbraw/zinc/20/45/90/984204590.db2.gz LESSKGQTDJZIBX-HZPDHXFCSA-N 2 1 419.791 3.648 20 0 HHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000441356067 984204592 /nfs/dbraw/zinc/20/45/92/984204592.db2.gz LESSKGQTDJZIBX-HZPDHXFCSA-N 2 1 419.791 3.648 20 0 HHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000441356067 984204597 /nfs/dbraw/zinc/20/45/97/984204597.db2.gz LESSKGQTDJZIBX-HZPDHXFCSA-N 2 1 419.791 3.648 20 0 HHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000441356067 984204603 /nfs/dbraw/zinc/20/46/03/984204603.db2.gz LESSKGQTDJZIBX-HZPDHXFCSA-N 2 1 419.791 3.648 20 0 HHADMP O=C(CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccccc1Br ZINC000441392005 984226845 /nfs/dbraw/zinc/22/68/45/984226845.db2.gz ASASLRDFSPLGPZ-BEFAXECRSA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccccc1Br ZINC000441392005 984226851 /nfs/dbraw/zinc/22/68/51/984226851.db2.gz ASASLRDFSPLGPZ-BEFAXECRSA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccccc1Br ZINC000441392005 984226857 /nfs/dbraw/zinc/22/68/57/984226857.db2.gz ASASLRDFSPLGPZ-BEFAXECRSA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccccc1Br ZINC000441392005 984226859 /nfs/dbraw/zinc/22/68/59/984226859.db2.gz ASASLRDFSPLGPZ-BEFAXECRSA-N 2 1 406.368 3.726 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441408481 984236670 /nfs/dbraw/zinc/23/66/70/984236670.db2.gz IWYCVPMXGJQHTB-OFNKIYASSA-N 2 1 421.589 3.766 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441408481 984236676 /nfs/dbraw/zinc/23/66/76/984236676.db2.gz IWYCVPMXGJQHTB-OFNKIYASSA-N 2 1 421.589 3.766 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441408481 984236681 /nfs/dbraw/zinc/23/66/81/984236681.db2.gz IWYCVPMXGJQHTB-OFNKIYASSA-N 2 1 421.589 3.766 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441408481 984236685 /nfs/dbraw/zinc/23/66/85/984236685.db2.gz IWYCVPMXGJQHTB-OFNKIYASSA-N 2 1 421.589 3.766 20 0 HHADMP C[NH+](C)CC1CCC(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000441616494 984357771 /nfs/dbraw/zinc/35/77/71/984357771.db2.gz VTDDZVSSHQZJRM-GZNCHQMQSA-N 2 1 411.512 3.678 20 0 HHADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccnc(-c4ccc(Br)cc4)n3)CC[C@H]21 ZINC000441898054 984525055 /nfs/dbraw/zinc/52/50/55/984525055.db2.gz LYNLCMDUKIPLFA-QFBILLFUSA-N 2 1 401.352 3.822 20 0 HHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccnc(-c4ccc(Br)cc4)n3)CC[C@H]21 ZINC000441898054 984525057 /nfs/dbraw/zinc/52/50/57/984525057.db2.gz LYNLCMDUKIPLFA-QFBILLFUSA-N 2 1 401.352 3.822 20 0 HHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccnc(-c4ccc(Br)cc4)n3)CC[C@H]21 ZINC000441898054 984525061 /nfs/dbraw/zinc/52/50/61/984525061.db2.gz LYNLCMDUKIPLFA-QFBILLFUSA-N 2 1 401.352 3.822 20 0 HHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccnc(-c4ccc(Br)cc4)n3)CC[C@H]21 ZINC000441898054 984525067 /nfs/dbraw/zinc/52/50/67/984525067.db2.gz LYNLCMDUKIPLFA-QFBILLFUSA-N 2 1 401.352 3.822 20 0 HHADMP CCN(C(=O)NC1CCC(C[NH+](C)C)CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000442247479 984769294 /nfs/dbraw/zinc/76/92/94/984769294.db2.gz DNRDMXKWDHDFJJ-BLNUVLEBSA-N 2 1 400.611 3.974 20 0 HHADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000461912208 984926776 /nfs/dbraw/zinc/92/67/76/984926776.db2.gz WHDPITPLKKLFEE-OALUTQOASA-N 2 1 410.562 3.678 20 0 HHADMP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000462126107 985096120 /nfs/dbraw/zinc/09/61/20/985096120.db2.gz MTTIHNXRYHMDSI-PZJWPPBQSA-N 2 1 400.592 3.692 20 0 HHADMP C[NH+](C)Cc1cccc(CNC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)c1 ZINC000462126312 985096191 /nfs/dbraw/zinc/09/61/91/985096191.db2.gz NKMZLSDIGFJUIL-UHFFFAOYSA-N 2 1 420.557 3.973 20 0 HHADMP C[NH+](C)Cc1cccc(CNC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)c1 ZINC000462126312 985096195 /nfs/dbraw/zinc/09/61/95/985096195.db2.gz NKMZLSDIGFJUIL-UHFFFAOYSA-N 2 1 420.557 3.973 20 0 HHADMP C[C@@H](c1cccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1)N1CCOCC1 ZINC000462255932 985241451 /nfs/dbraw/zinc/24/14/51/985241451.db2.gz RXJWQRYXJHRFEW-JXALWOEJSA-N 2 1 422.573 3.722 20 0 HHADMP Cc1cc(CNC(=O)N(CC[NH+](C)C)CC2CCCCC2)cc(N2CCCC2)[nH+]1 ZINC000462280318 985269083 /nfs/dbraw/zinc/26/90/83/985269083.db2.gz PJGHGOCUXUIKOC-UHFFFAOYSA-N 2 1 401.599 3.644 20 0 HHADMP Cn1cc[nH+]c1CC1CCN(C(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CC1 ZINC000443053103 985354827 /nfs/dbraw/zinc/35/48/27/985354827.db2.gz QVHQXMIEARZNOX-RCZVLFRGSA-N 2 1 406.574 3.504 20 0 HHADMP Cn1cc[nH+]c1CC1CCN(C(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CC1 ZINC000443053103 985354837 /nfs/dbraw/zinc/35/48/37/985354837.db2.gz QVHQXMIEARZNOX-RCZVLFRGSA-N 2 1 406.574 3.504 20 0 HHADMP C[C@H]1CC[C@H](C)[NH+]1Cc1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1 ZINC000443200225 985440253 /nfs/dbraw/zinc/44/02/53/985440253.db2.gz GCCBONRAZMVCOK-HOTGVXAUSA-N 2 1 403.958 3.905 20 0 HHADMP C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(C)(C)C[NH+](C)C ZINC000443236493 985456991 /nfs/dbraw/zinc/45/69/91/985456991.db2.gz GFLGBGVPZOUBJX-CRAIPNDOSA-N 2 1 414.516 3.555 20 0 HHADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc(OCC(F)F)cc2)[C@H](c2ccccc2)C1 ZINC000462680077 985618963 /nfs/dbraw/zinc/61/89/63/985618963.db2.gz TUYFFCFECSUIOE-QFIPXVFZSA-N 2 1 403.517 3.799 20 0 HHADMP CC1CC[NH+](CCC[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2ccc(F)cc2)CC1 ZINC000468074294 985731713 /nfs/dbraw/zinc/73/17/13/985731713.db2.gz QBTVNSHNTKXVSR-RUZDIDTESA-N 3 1 418.645 3.996 20 0 HHADMP C[C@@H](C[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1)N1CCN(C)CC1 ZINC000462801728 985734262 /nfs/dbraw/zinc/73/42/62/985734262.db2.gz INTSJSAIWHPJME-XUZZJYLKSA-N 2 1 404.618 3.604 20 0 HHADMP C[C@H](CN1CCN(C)CC1)[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000462803059 985735801 /nfs/dbraw/zinc/73/58/01/985735801.db2.gz PRRDGGWWWISUIZ-ZJSXRUAMSA-N 2 1 404.618 3.604 20 0 HHADMP CC1CC[NH+](CCC[C@H]([NH2+]CCCN2CCN(C)CC2)c2ccc(F)cc2)CC1 ZINC000462883806 985808587 /nfs/dbraw/zinc/80/85/87/985808587.db2.gz YABIQZXHGZVDNZ-DEOSSOPVSA-N 2 1 404.618 3.606 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N(C)[C@H]3CC[NH+](C)C[C@H]3C)cc2)C1 ZINC000443636091 985818443 /nfs/dbraw/zinc/81/84/43/985818443.db2.gz BJBJXKZNYHWKFP-AWWSKVOZSA-N 2 1 400.611 3.646 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)[C@H]3CC[N@H+](C)C[C@H]3C)cc2)C1 ZINC000443636091 985818478 /nfs/dbraw/zinc/81/84/78/985818478.db2.gz BJBJXKZNYHWKFP-AWWSKVOZSA-N 2 1 400.611 3.646 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)[C@H]3CC[N@@H+](C)C[C@H]3C)cc2)C1 ZINC000443636091 985818491 /nfs/dbraw/zinc/81/84/91/985818491.db2.gz BJBJXKZNYHWKFP-AWWSKVOZSA-N 2 1 400.611 3.646 20 0 HHADMP CCC(CC)C(=O)N1CCC([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000463075713 986033127 /nfs/dbraw/zinc/03/31/27/986033127.db2.gz CLTGWWBTJISLAQ-UHFFFAOYSA-N 2 1 403.586 3.849 20 0 HHADMP COc1cc2c(cc1OC)CN(CC[NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC000463115170 986078650 /nfs/dbraw/zinc/07/86/50/986078650.db2.gz KKKCSNDYGXHOKD-RDPSFJRHSA-N 2 1 423.601 3.705 20 0 HHADMP COc1cc2c(cc1OC)CN(CC[NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC000463115170 986078657 /nfs/dbraw/zinc/07/86/57/986078657.db2.gz KKKCSNDYGXHOKD-RDPSFJRHSA-N 2 1 423.601 3.705 20 0 HHADMP C[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)N1CCN(c2ccccc2)CC1 ZINC000463138203 986107407 /nfs/dbraw/zinc/10/74/07/986107407.db2.gz BMYFYUYAKGXECE-JOCHJYFZSA-N 2 1 424.608 3.633 20 0 HHADMP OC[C@@]1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C[C@@H]1c1ccc(F)cc1 ZINC000463234887 986203135 /nfs/dbraw/zinc/20/31/35/986203135.db2.gz BMHFVZMDSFTDGY-RPWUZVMVSA-N 2 1 400.513 3.728 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463250081 986219188 /nfs/dbraw/zinc/21/91/88/986219188.db2.gz YYFIWXTWYPOGCX-APWZRJJASA-N 2 1 406.979 3.886 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000463250081 986219194 /nfs/dbraw/zinc/21/91/94/986219194.db2.gz YYFIWXTWYPOGCX-APWZRJJASA-N 2 1 406.979 3.886 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000463272485 986239177 /nfs/dbraw/zinc/23/91/77/986239177.db2.gz QNKIEUYDNREWLR-OFVILXPXSA-N 2 1 420.601 3.813 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000463272793 986240140 /nfs/dbraw/zinc/24/01/40/986240140.db2.gz UITXOFSDLUFHFI-PXDATVDWSA-N 2 1 420.601 3.813 20 0 HHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CC3CCN(CC(F)(F)F)CC3)CC2)cc1 ZINC000463284319 986251824 /nfs/dbraw/zinc/25/18/24/986251824.db2.gz QOHQITSDXFNZHG-UHFFFAOYSA-N 2 1 401.492 3.697 20 0 HHADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000463292061 986258923 /nfs/dbraw/zinc/25/89/23/986258923.db2.gz ZCWSXXKYFDQIOV-ZULSDKFXSA-N 2 1 418.629 3.982 20 0 HHADMP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463436282 986412827 /nfs/dbraw/zinc/41/28/27/986412827.db2.gz XWEZMKSPRREANO-UXHICEINSA-N 2 1 411.512 3.952 20 0 HHADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463436282 986412830 /nfs/dbraw/zinc/41/28/30/986412830.db2.gz XWEZMKSPRREANO-UXHICEINSA-N 2 1 411.512 3.952 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000444335188 986513025 /nfs/dbraw/zinc/51/30/25/986513025.db2.gz FREOHLOAQNMXTD-PGRDOPGGSA-N 2 1 403.530 3.815 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000444335188 986513029 /nfs/dbraw/zinc/51/30/29/986513029.db2.gz FREOHLOAQNMXTD-PGRDOPGGSA-N 2 1 403.530 3.815 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000444478136 986664083 /nfs/dbraw/zinc/66/40/83/986664083.db2.gz PGHABIWUSPLKRB-FQEVSTJZSA-N 2 1 417.557 3.570 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)CCCOc2ccccc2C(N)=O)cc1F ZINC000469059121 986770462 /nfs/dbraw/zinc/77/04/62/986770462.db2.gz PPAXGTBDCKPKOV-MRXNPFEDSA-N 2 1 410.493 3.756 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000444589657 986776705 /nfs/dbraw/zinc/77/67/05/986776705.db2.gz JWFFAIDEQOCURZ-GOSISDBHSA-N 2 1 409.534 3.917 20 0 HHADMP OC1(Cc2ccc(OC(F)(F)F)cc2)CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000444608715 986795398 /nfs/dbraw/zinc/79/53/98/986795398.db2.gz MDVOOVSFZOMLQC-UHFFFAOYSA-N 2 1 400.485 3.831 20 0 HHADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CC[NH+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444719350 986893336 /nfs/dbraw/zinc/89/33/36/986893336.db2.gz QSIKBQNPTBOQHK-PKTZIBPZSA-N 2 1 410.606 3.844 20 0 HHADMP O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444719350 986893348 /nfs/dbraw/zinc/89/33/48/986893348.db2.gz QSIKBQNPTBOQHK-PKTZIBPZSA-N 2 1 410.606 3.844 20 0 HHADMP O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444719350 986893360 /nfs/dbraw/zinc/89/33/60/986893360.db2.gz QSIKBQNPTBOQHK-PKTZIBPZSA-N 2 1 410.606 3.844 20 0 HHADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC000444797137 986952678 /nfs/dbraw/zinc/95/26/78/986952678.db2.gz CJYGGVUJZRWBMW-LJQANCHMSA-N 2 1 416.610 3.760 20 0 HHADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000444797137 986952683 /nfs/dbraw/zinc/95/26/83/986952683.db2.gz CJYGGVUJZRWBMW-LJQANCHMSA-N 2 1 416.610 3.760 20 0 HHADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000444797137 986952684 /nfs/dbraw/zinc/95/26/84/986952684.db2.gz CJYGGVUJZRWBMW-LJQANCHMSA-N 2 1 416.610 3.760 20 0 HHADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000469528821 987204001 /nfs/dbraw/zinc/20/40/01/987204001.db2.gz JHPKOZPQOHFSAM-SFHVURJKSA-N 2 1 408.468 3.806 20 0 HHADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000469528821 987204004 /nfs/dbraw/zinc/20/40/04/987204004.db2.gz JHPKOZPQOHFSAM-SFHVURJKSA-N 2 1 408.468 3.806 20 0 HHADMP CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccc(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC000469561821 987232040 /nfs/dbraw/zinc/23/20/40/987232040.db2.gz HTXSLGBVKUEBJI-LWYYNNOASA-N 2 1 414.594 3.724 20 0 HHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000469566065 987235578 /nfs/dbraw/zinc/23/55/78/987235578.db2.gz YVCDWSVQGQXBGU-QHCPKHFHSA-N 2 1 400.611 3.849 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000469761649 987415128 /nfs/dbraw/zinc/41/51/28/987415128.db2.gz AVGZBHDWEJRWNN-IAGOWNOFSA-N 2 1 417.500 3.973 20 0 HHADMP COc1ccccc1[C@H](C)N(C)C(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000469764593 987417087 /nfs/dbraw/zinc/41/70/87/987417087.db2.gz OQXIUPKTEAUYOK-ACRUOGEOSA-N 2 1 423.601 3.961 20 0 HHADMP Cc1cccc(NC(=O)NC(=O)C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c1C ZINC000469775334 987425721 /nfs/dbraw/zinc/42/57/21/987425721.db2.gz KRUQHSAWVHPYRP-RTBURBONSA-N 2 1 422.573 3.698 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[S@@](=O)c2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC000469787791 987432929 /nfs/dbraw/zinc/43/29/29/987432929.db2.gz RIFLGBOARPYGQL-NAXVTNAXSA-N 2 1 421.434 3.828 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)Cn2c3ccccc3c3ccccc32)[C@@H](C)C1 ZINC000469794158 987437453 /nfs/dbraw/zinc/43/74/53/987437453.db2.gz NDMDLQMSRCPPOT-HFMPRLQTSA-N 2 1 423.601 3.882 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H](C)[C@@H](n4ccnc4)C3)cc2)C1 ZINC000469866097 987503159 /nfs/dbraw/zinc/50/31/59/987503159.db2.gz OTDCBNHABKLFFE-QTEQDKRBSA-N 2 1 409.578 3.908 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)cc1)C(C)C ZINC000469917325 987546441 /nfs/dbraw/zinc/54/64/41/987546441.db2.gz NHABAPNPGYHHDN-QHCPKHFHSA-N 2 1 401.595 3.634 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc4c(c3)COC(C)(C)O4)CC2)CC1 ZINC000469951170 987572741 /nfs/dbraw/zinc/57/27/41/987572741.db2.gz WAIQRMPGJPAGMP-UHFFFAOYSA-N 2 1 415.622 3.960 20 0 HHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000469951170 987572747 /nfs/dbraw/zinc/57/27/47/987572747.db2.gz WAIQRMPGJPAGMP-UHFFFAOYSA-N 3 1 415.622 3.960 20 0 HHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000469951170 987572755 /nfs/dbraw/zinc/57/27/55/987572755.db2.gz WAIQRMPGJPAGMP-UHFFFAOYSA-N 3 1 415.622 3.960 20 0 HHADMP Nc1c(Br)cc(Br)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000470096215 987997248 /nfs/dbraw/zinc/99/72/48/987997248.db2.gz GGKQZSXTHPNOJW-QWHCGFSZSA-N 2 1 403.162 3.510 20 0 HHADMP Nc1c(Br)cc(Br)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000470096215 987997257 /nfs/dbraw/zinc/99/72/57/987997257.db2.gz GGKQZSXTHPNOJW-QWHCGFSZSA-N 2 1 403.162 3.510 20 0 HHADMP CCOC(=O)[C@@](C)(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000470151324 988060330 /nfs/dbraw/zinc/06/03/30/988060330.db2.gz HGNUXVAAJYADCT-VWLOTQADSA-N 2 1 412.549 3.943 20 0 HHADMP CC(C)[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1)C(F)(F)F ZINC000470438725 988410121 /nfs/dbraw/zinc/41/01/21/988410121.db2.gz QDUNKIFWJZALSO-KURKYZTESA-N 2 1 406.537 3.552 20 0 HHADMP CC(C)[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1)C(F)(F)F ZINC000470438723 988410322 /nfs/dbraw/zinc/41/03/22/988410322.db2.gz QDUNKIFWJZALSO-BZSNNMDCSA-N 2 1 406.537 3.552 20 0 HHADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000470489466 988480187 /nfs/dbraw/zinc/48/01/87/988480187.db2.gz HYUBKBATDYVTKS-OAQYLSRUSA-N 2 1 421.585 3.644 20 0 HHADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000470489466 988480195 /nfs/dbraw/zinc/48/01/95/988480195.db2.gz HYUBKBATDYVTKS-OAQYLSRUSA-N 2 1 421.585 3.644 20 0 HHADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000470489466 988480201 /nfs/dbraw/zinc/48/02/01/988480201.db2.gz HYUBKBATDYVTKS-OAQYLSRUSA-N 2 1 421.585 3.644 20 0 HHADMP CC[NH+]1CCN(c2ccc(C(=O)N(C)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000470674340 988698015 /nfs/dbraw/zinc/69/80/15/988698015.db2.gz LEPHVDHKGVVDPB-RUZDIDTESA-N 2 1 420.601 3.565 20 0 HHADMP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@H](C[N@@H+](C)CC4CC4)C3)c2)CC1 ZINC000470728746 988759284 /nfs/dbraw/zinc/75/92/84/988759284.db2.gz XTLQXBLVKCVUAC-XMMPIXPASA-N 2 1 412.622 3.792 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)[C@@H]2CCC[NH+](Cc3ccccc3)C2)c1 ZINC000470731333 988763220 /nfs/dbraw/zinc/76/32/20/988763220.db2.gz DSJIULXPIVWWME-XMMPIXPASA-N 2 1 408.590 3.944 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000470731333 988763224 /nfs/dbraw/zinc/76/32/24/988763224.db2.gz DSJIULXPIVWWME-XMMPIXPASA-N 2 1 408.590 3.944 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000470731333 988763230 /nfs/dbraw/zinc/76/32/30/988763230.db2.gz DSJIULXPIVWWME-XMMPIXPASA-N 2 1 408.590 3.944 20 0 HHADMP COc1cccc([C@H](CNC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)c1 ZINC000470739843 988778098 /nfs/dbraw/zinc/77/80/98/988778098.db2.gz FZPOZZCUVJEEPB-VWNXMTODSA-N 2 1 424.589 3.604 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470743596 988782333 /nfs/dbraw/zinc/78/23/33/988782333.db2.gz CPDUMYKGEBUNSE-GMAHTHKFSA-N 2 1 400.611 3.947 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470743596 988782342 /nfs/dbraw/zinc/78/23/42/988782342.db2.gz CPDUMYKGEBUNSE-GMAHTHKFSA-N 2 1 400.611 3.947 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470743596 988782348 /nfs/dbraw/zinc/78/23/48/988782348.db2.gz CPDUMYKGEBUNSE-GMAHTHKFSA-N 2 1 400.611 3.947 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(C)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000470747939 988788339 /nfs/dbraw/zinc/78/83/39/988788339.db2.gz UKQXWDFRKSKVLV-FYYLOGMGSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000470747939 988788356 /nfs/dbraw/zinc/78/83/56/988788356.db2.gz UKQXWDFRKSKVLV-FYYLOGMGSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000470747939 988788366 /nfs/dbraw/zinc/78/83/66/988788366.db2.gz UKQXWDFRKSKVLV-FYYLOGMGSA-N 2 1 400.611 3.805 20 0 HHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000470886805 988958575 /nfs/dbraw/zinc/95/85/75/988958575.db2.gz WZRDWHAZEJNVIV-KWDCZQRMSA-N 2 1 410.606 3.555 20 0 HHADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000470886805 988958579 /nfs/dbraw/zinc/95/85/79/988958579.db2.gz WZRDWHAZEJNVIV-KWDCZQRMSA-N 2 1 410.606 3.555 20 0 HHADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000470886805 988958585 /nfs/dbraw/zinc/95/85/85/988958585.db2.gz WZRDWHAZEJNVIV-KWDCZQRMSA-N 2 1 410.606 3.555 20 0 HHADMP CCS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000464772580 988997382 /nfs/dbraw/zinc/99/73/82/988997382.db2.gz HUGTZBWGKGENMU-UXHICEINSA-N 2 1 407.649 3.780 20 0 HHADMP C[C@H](OC[C@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000470998562 989064117 /nfs/dbraw/zinc/06/41/17/989064117.db2.gz YWPLWUGBPQKUQQ-YZZIRNTPSA-N 2 1 414.977 3.842 20 0 HHADMP C[C@H](OC[C@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000470998562 989064121 /nfs/dbraw/zinc/06/41/21/989064121.db2.gz YWPLWUGBPQKUQQ-YZZIRNTPSA-N 2 1 414.977 3.842 20 0 HHADMP C[C@H](OC[C@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000470998562 989064131 /nfs/dbraw/zinc/06/41/31/989064131.db2.gz YWPLWUGBPQKUQQ-YZZIRNTPSA-N 2 1 414.977 3.842 20 0 HHADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000471017591 989088142 /nfs/dbraw/zinc/08/81/42/989088142.db2.gz FRUZEFVGKYUVJM-HXUWFJFHSA-N 2 1 407.558 3.910 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000471017591 989088149 /nfs/dbraw/zinc/08/81/49/989088149.db2.gz FRUZEFVGKYUVJM-HXUWFJFHSA-N 2 1 407.558 3.910 20 0 HHADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000471017591 989088159 /nfs/dbraw/zinc/08/81/59/989088159.db2.gz FRUZEFVGKYUVJM-HXUWFJFHSA-N 2 1 407.558 3.910 20 0 HHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000471017591 989088166 /nfs/dbraw/zinc/08/81/66/989088166.db2.gz FRUZEFVGKYUVJM-HXUWFJFHSA-N 2 1 407.558 3.910 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](CCSc2ccccc2)CC1)Cc1ccccc1 ZINC000471220972 989364461 /nfs/dbraw/zinc/36/44/61/989364461.db2.gz POXHBUIMYKIWOD-UHFFFAOYSA-N 2 1 411.615 3.739 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](CCOC2CCCCCC2)CC1)Cc1ccccc1 ZINC000471230437 989374780 /nfs/dbraw/zinc/37/47/80/989374780.db2.gz QVRADNOQSDWZSS-UHFFFAOYSA-N 2 1 415.622 3.686 20 0 HHADMP O=C(CC[N@H+]1CCc2ccccc2C1)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000471377477 989554736 /nfs/dbraw/zinc/55/47/36/989554736.db2.gz WLIZMNXUHDFPTO-UHFFFAOYSA-N 2 1 405.586 3.602 20 0 HHADMP O=C(CC[NH+]1CCc2ccccc2C1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000471377477 989554740 /nfs/dbraw/zinc/55/47/40/989554740.db2.gz WLIZMNXUHDFPTO-UHFFFAOYSA-N 2 1 405.586 3.602 20 0 HHADMP O=C(CC[NH+]1CCc2ccccc2C1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000471377477 989554742 /nfs/dbraw/zinc/55/47/42/989554742.db2.gz WLIZMNXUHDFPTO-UHFFFAOYSA-N 2 1 405.586 3.602 20 0 HHADMP C[C@@H](CCNC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000471441912 989625375 /nfs/dbraw/zinc/62/53/75/989625375.db2.gz FHXHEGLYNLIRCO-FQEVSTJZSA-N 2 1 411.615 3.876 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000471540222 989739906 /nfs/dbraw/zinc/73/99/06/989739906.db2.gz NFXCXSOIQNGGAA-DENIHFKCSA-N 2 1 414.981 3.764 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000471540222 989739912 /nfs/dbraw/zinc/73/99/12/989739912.db2.gz NFXCXSOIQNGGAA-DENIHFKCSA-N 2 1 414.981 3.764 20 0 HHADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471552200 989752631 /nfs/dbraw/zinc/75/26/31/989752631.db2.gz QXDDMVHPSCYOSX-PLQXJYEYSA-N 2 1 418.585 3.556 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000465407409 989754157 /nfs/dbraw/zinc/75/41/57/989754157.db2.gz MFURUTAPPFTVNN-DHIUTWEWSA-N 2 1 424.589 3.970 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000465419436 989765330 /nfs/dbraw/zinc/76/53/30/989765330.db2.gz FUFMKLCQWSDIFG-LOSJGSFVSA-N 2 1 422.617 3.713 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccccc1 ZINC000465459412 989799714 /nfs/dbraw/zinc/79/97/14/989799714.db2.gz UKHKTGQGEMODAN-SFHLNBCPSA-N 2 1 400.592 3.733 20 0 HHADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000471598054 989801227 /nfs/dbraw/zinc/80/12/27/989801227.db2.gz SZEPUGURMUREMV-XMMPIXPASA-N 2 1 408.590 3.850 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)Cc1ccccc1 ZINC000465518752 989871646 /nfs/dbraw/zinc/87/16/46/989871646.db2.gz DWRCMVFTDALZIF-VJBWXMMDSA-N 2 1 400.611 3.596 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000465531584 989890843 /nfs/dbraw/zinc/89/08/43/989890843.db2.gz BFZPOTQSLCIXGD-HSZRJFAPSA-N 2 1 420.601 3.598 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000465531584 989890849 /nfs/dbraw/zinc/89/08/49/989890849.db2.gz BFZPOTQSLCIXGD-HSZRJFAPSA-N 2 1 420.601 3.598 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000465531584 989890854 /nfs/dbraw/zinc/89/08/54/989890854.db2.gz BFZPOTQSLCIXGD-HSZRJFAPSA-N 2 1 420.601 3.598 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000465532713 989893230 /nfs/dbraw/zinc/89/32/30/989893230.db2.gz VQEIAXQCRWBYRQ-CTNGQTDRSA-N 2 1 404.599 3.592 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C)[NH+]1CCC[C@H](C)C1 ZINC000465535367 989898458 /nfs/dbraw/zinc/89/84/58/989898458.db2.gz BCTGEQDNZZAAKC-QNWVGRARSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000465535367 989898460 /nfs/dbraw/zinc/89/84/60/989898460.db2.gz BCTGEQDNZZAAKC-QNWVGRARSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000465535367 989898464 /nfs/dbraw/zinc/89/84/64/989898464.db2.gz BCTGEQDNZZAAKC-QNWVGRARSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000465549529 989913061 /nfs/dbraw/zinc/91/30/61/989913061.db2.gz SFIHDRYOXYSDPX-ZDXQCDESSA-N 2 1 414.638 3.908 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000465549529 989913069 /nfs/dbraw/zinc/91/30/69/989913069.db2.gz SFIHDRYOXYSDPX-ZDXQCDESSA-N 2 1 414.638 3.908 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000465549529 989913077 /nfs/dbraw/zinc/91/30/77/989913077.db2.gz SFIHDRYOXYSDPX-ZDXQCDESSA-N 2 1 414.638 3.908 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000465549526 989913364 /nfs/dbraw/zinc/91/33/64/989913364.db2.gz SFIHDRYOXYSDPX-AOHZBQACSA-N 2 1 414.638 3.908 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000465549526 989913372 /nfs/dbraw/zinc/91/33/72/989913372.db2.gz SFIHDRYOXYSDPX-AOHZBQACSA-N 2 1 414.638 3.908 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000465549526 989913381 /nfs/dbraw/zinc/91/33/81/989913381.db2.gz SFIHDRYOXYSDPX-AOHZBQACSA-N 2 1 414.638 3.908 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)C1 ZINC000465551990 989915259 /nfs/dbraw/zinc/91/52/59/989915259.db2.gz ABDQGQOGLHMZHG-REWPJTCUSA-N 2 1 400.611 3.934 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000465551990 989915267 /nfs/dbraw/zinc/91/52/67/989915267.db2.gz ABDQGQOGLHMZHG-REWPJTCUSA-N 2 1 400.611 3.934 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000465551990 989915274 /nfs/dbraw/zinc/91/52/74/989915274.db2.gz ABDQGQOGLHMZHG-REWPJTCUSA-N 2 1 400.611 3.934 20 0 HHADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[NH+]1CCCC[C@@H]1C ZINC000465554714 989918147 /nfs/dbraw/zinc/91/81/47/989918147.db2.gz YBYWVCUVQGCFBH-PMACEKPBSA-N 2 1 412.578 3.974 20 0 HHADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[NH+]1CCCC[C@@H]1C ZINC000465554714 989918151 /nfs/dbraw/zinc/91/81/51/989918151.db2.gz YBYWVCUVQGCFBH-PMACEKPBSA-N 2 1 412.578 3.974 20 0 HHADMP C[C@@H](CNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)[N@@H+]1CCCC[C@@H]1C ZINC000465554714 989918157 /nfs/dbraw/zinc/91/81/57/989918157.db2.gz YBYWVCUVQGCFBH-PMACEKPBSA-N 2 1 412.578 3.974 20 0 HHADMP C[C@@H](CNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)[N@H+]1CCCC[C@@H]1C ZINC000465554714 989918161 /nfs/dbraw/zinc/91/81/61/989918161.db2.gz YBYWVCUVQGCFBH-PMACEKPBSA-N 2 1 412.578 3.974 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000471729378 989925069 /nfs/dbraw/zinc/92/50/69/989925069.db2.gz UQVJCABBBOOADP-BKULYWANSA-N 2 1 406.574 3.643 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000471729378 989925080 /nfs/dbraw/zinc/92/50/80/989925080.db2.gz UQVJCABBBOOADP-BKULYWANSA-N 2 1 406.574 3.643 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000471729378 989925090 /nfs/dbraw/zinc/92/50/90/989925090.db2.gz UQVJCABBBOOADP-BKULYWANSA-N 2 1 406.574 3.643 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000465577569 989947918 /nfs/dbraw/zinc/94/79/18/989947918.db2.gz SXJBTANVILUGFB-NFBKMPQASA-N 2 1 400.611 3.934 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000465577569 989947923 /nfs/dbraw/zinc/94/79/23/989947923.db2.gz SXJBTANVILUGFB-NFBKMPQASA-N 2 1 400.611 3.934 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000465577569 989947930 /nfs/dbraw/zinc/94/79/30/989947930.db2.gz SXJBTANVILUGFB-NFBKMPQASA-N 2 1 400.611 3.934 20 0 HHADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000465587825 989963451 /nfs/dbraw/zinc/96/34/51/989963451.db2.gz APIVIEQUSRDOIR-QFIPXVFZSA-N 2 1 419.013 3.868 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCc3sccc3C2)CC[N@@H+]1C ZINC000465605489 989987731 /nfs/dbraw/zinc/98/77/31/989987731.db2.gz PZTFJSKIGUGIOQ-QMMLZNLJSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCc3sccc3C2)CC[N@H+]1C ZINC000465605489 989987742 /nfs/dbraw/zinc/98/77/42/989987742.db2.gz PZTFJSKIGUGIOQ-QMMLZNLJSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC[NH+]1C ZINC000465605489 989987750 /nfs/dbraw/zinc/98/77/50/989987750.db2.gz PZTFJSKIGUGIOQ-QMMLZNLJSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CC[NH+]1C ZINC000465605489 989987759 /nfs/dbraw/zinc/98/77/59/989987759.db2.gz PZTFJSKIGUGIOQ-QMMLZNLJSA-N 2 1 412.603 3.629 20 0 HHADMP Cc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000471805576 989988759 /nfs/dbraw/zinc/98/87/59/989988759.db2.gz SUCOQTKFCYDMKO-YADHBBJMSA-N 2 1 410.562 3.546 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000465634743 990020729 /nfs/dbraw/zinc/02/07/29/990020729.db2.gz PMMRJIJMJDBKRG-VWLOTQADSA-N 2 1 420.601 3.946 20 0 HHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000471858754 990031038 /nfs/dbraw/zinc/03/10/38/990031038.db2.gz SUOUIAPNPQFBBY-XBMUEBEBSA-N 2 1 418.548 3.746 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000465676578 990062459 /nfs/dbraw/zinc/06/24/59/990062459.db2.gz ABQODXUZCRXDIO-JTHBVZDNSA-N 2 1 400.611 3.662 20 0 HHADMP C[C@H](CNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1CCc2ccccc2C1 ZINC000465691073 990077058 /nfs/dbraw/zinc/07/70/58/990077058.db2.gz JBYIQDSEVOCEAQ-FCHUYYIVSA-N 2 1 420.601 3.739 20 0 HHADMP C[C@H](CNC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000465691073 990077069 /nfs/dbraw/zinc/07/70/69/990077069.db2.gz JBYIQDSEVOCEAQ-FCHUYYIVSA-N 2 1 420.601 3.739 20 0 HHADMP C[C@H](CNC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000465691073 990077077 /nfs/dbraw/zinc/07/70/77/990077077.db2.gz JBYIQDSEVOCEAQ-FCHUYYIVSA-N 2 1 420.601 3.739 20 0 HHADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)C[NH+]1CCCCC1 ZINC000465693519 990079912 /nfs/dbraw/zinc/07/99/12/990079912.db2.gz RGULOGQPWZZCIN-FQEVSTJZSA-N 2 1 412.578 3.833 20 0 HHADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)C[NH+]1CCCCC1 ZINC000465693519 990079920 /nfs/dbraw/zinc/07/99/20/990079920.db2.gz RGULOGQPWZZCIN-FQEVSTJZSA-N 2 1 412.578 3.833 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(F)cc1 ZINC000465696989 990083468 /nfs/dbraw/zinc/08/34/68/990083468.db2.gz UGINMDCKIVNZCT-YFVAEKQCSA-N 2 1 418.582 3.872 20 0 HHADMP C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000465700458 990086546 /nfs/dbraw/zinc/08/65/46/990086546.db2.gz YGIFPGBONAUUQT-XXBNENTESA-N 2 1 412.553 3.734 20 0 HHADMP C[C@@H]1CCC[C@](CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)([NH+](C)C)C1 ZINC000465704314 990090623 /nfs/dbraw/zinc/09/06/23/990090623.db2.gz GZZPFHUWBNERPK-RQIDZSJNSA-N 2 1 406.640 3.941 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000465724567 990110280 /nfs/dbraw/zinc/11/02/80/990110280.db2.gz SLUQUXJQJBJZPE-DQEYMECFSA-N 2 1 422.617 3.713 20 0 HHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000465745160 990130389 /nfs/dbraw/zinc/13/03/89/990130389.db2.gz QMGAOISIARCUKH-XQPJFTJZSA-N 2 1 406.640 3.797 20 0 HHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000465745160 990130395 /nfs/dbraw/zinc/13/03/95/990130395.db2.gz QMGAOISIARCUKH-XQPJFTJZSA-N 2 1 406.640 3.797 20 0 HHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000465745160 990130398 /nfs/dbraw/zinc/13/03/98/990130398.db2.gz QMGAOISIARCUKH-XQPJFTJZSA-N 2 1 406.640 3.797 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465753860 990140128 /nfs/dbraw/zinc/14/01/28/990140128.db2.gz KUGNDUZNKYXROR-XJUOHMSHSA-N 2 1 414.638 3.906 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465753860 990140131 /nfs/dbraw/zinc/14/01/31/990140131.db2.gz KUGNDUZNKYXROR-XJUOHMSHSA-N 2 1 414.638 3.906 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465753860 990140134 /nfs/dbraw/zinc/14/01/34/990140134.db2.gz KUGNDUZNKYXROR-XJUOHMSHSA-N 2 1 414.638 3.906 20 0 HHADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000465762478 990147834 /nfs/dbraw/zinc/14/78/34/990147834.db2.gz SXPIFLIYQYAXCA-UXHICEINSA-N 2 1 412.578 3.831 20 0 HHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000465762478 990147838 /nfs/dbraw/zinc/14/78/38/990147838.db2.gz SXPIFLIYQYAXCA-UXHICEINSA-N 2 1 412.578 3.831 20 0 HHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000465762478 990147843 /nfs/dbraw/zinc/14/78/43/990147843.db2.gz SXPIFLIYQYAXCA-UXHICEINSA-N 2 1 412.578 3.831 20 0 HHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000465762478 990147847 /nfs/dbraw/zinc/14/78/47/990147847.db2.gz SXPIFLIYQYAXCA-UXHICEINSA-N 2 1 412.578 3.831 20 0 HHADMP CSc1ccccc1CN(C)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000472008637 990176539 /nfs/dbraw/zinc/17/65/39/990176539.db2.gz PQAFNVQHHRWPIP-UHFFFAOYSA-N 2 1 404.624 3.500 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000465802923 990185722 /nfs/dbraw/zinc/18/57/22/990185722.db2.gz ACUDIURRAXXKJN-JTHBVZDNSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000472047167 990215354 /nfs/dbraw/zinc/21/53/54/990215354.db2.gz DQSUPEPCMDYWMN-XBMUEBEBSA-N 2 1 418.548 3.601 20 0 HHADMP C[C@H]1C[C@@H](N(C)C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000465859639 990970373 /nfs/dbraw/zinc/97/03/73/990970373.db2.gz BQSIZVVSAWYRHD-URXFXBBRSA-N 2 1 414.638 3.845 20 0 HHADMP C[C@H](CNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+](C)Cc1ccccc1 ZINC000465883457 991005831 /nfs/dbraw/zinc/00/58/31/991005831.db2.gz ZUNVIWXRDUZWCS-FGZHOGPDSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@H](CNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000465883457 991005842 /nfs/dbraw/zinc/00/58/42/991005842.db2.gz ZUNVIWXRDUZWCS-FGZHOGPDSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@H](CNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000465883457 991005856 /nfs/dbraw/zinc/00/58/56/991005856.db2.gz ZUNVIWXRDUZWCS-FGZHOGPDSA-N 2 1 408.590 3.813 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000465890882 991016336 /nfs/dbraw/zinc/01/63/36/991016336.db2.gz AMTKZLZFRSRCAG-XZOQPEGZSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000465890882 991016339 /nfs/dbraw/zinc/01/63/39/991016339.db2.gz AMTKZLZFRSRCAG-XZOQPEGZSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000465890882 991016344 /nfs/dbraw/zinc/01/63/44/991016344.db2.gz AMTKZLZFRSRCAG-XZOQPEGZSA-N 2 1 400.611 3.660 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N(C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)[nH+]c1 ZINC000465953715 991092550 /nfs/dbraw/zinc/09/25/50/991092550.db2.gz JZOJURNFBDAWNS-QFIPXVFZSA-N 2 1 421.589 3.522 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N(C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)[nH+]c1 ZINC000465953715 991092556 /nfs/dbraw/zinc/09/25/56/991092556.db2.gz JZOJURNFBDAWNS-QFIPXVFZSA-N 2 1 421.589 3.522 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N3CC[C@H](C)[N@@H+](Cc4ccccc4)CC3)CC2)[nH+]1 ZINC000465994859 991159066 /nfs/dbraw/zinc/15/90/66/991159066.db2.gz BCHVYWNZBXZJDK-NRFANRHFSA-N 2 1 421.589 3.665 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N3CC[C@H](C)[N@H+](Cc4ccccc4)CC3)CC2)[nH+]1 ZINC000465994859 991159071 /nfs/dbraw/zinc/15/90/71/991159071.db2.gz BCHVYWNZBXZJDK-NRFANRHFSA-N 2 1 421.589 3.665 20 0 HHADMP C[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)[C@@H]1c1cccs1 ZINC000466073880 991247011 /nfs/dbraw/zinc/24/70/11/991247011.db2.gz FLFWDCXWNFMOCO-AZUAARDMSA-N 2 1 406.640 3.894 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)[C@H]1c1cccs1 ZINC000466084602 991263568 /nfs/dbraw/zinc/26/35/68/991263568.db2.gz YNBSWHBLWPYFKI-SBHAEUEKSA-N 2 1 404.624 3.791 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000466224017 991443718 /nfs/dbraw/zinc/44/37/18/991443718.db2.gz YRHPQBYZZKGBLS-PXDATVDWSA-N 2 1 420.601 3.656 20 0 HHADMP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466295928 991546748 /nfs/dbraw/zinc/54/67/48/991546748.db2.gz FFUVQMPNKQWQGW-NRFANRHFSA-N 2 1 407.002 3.678 20 0 HHADMP CCc1sc(-c2nnc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)o2)cc1C ZINC000466917118 992231009 /nfs/dbraw/zinc/23/10/09/992231009.db2.gz NHYRRNBUDNTKTE-UHFFFAOYSA-N 2 1 404.580 3.746 20 0 HHADMP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000467206024 992531073 /nfs/dbraw/zinc/53/10/73/992531073.db2.gz JPAYZARRAGVYLE-KRWDZBQOSA-N 2 1 423.985 3.561 20 0 HHADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000467360467 992678993 /nfs/dbraw/zinc/67/89/93/992678993.db2.gz XZSXSBVORMGCSS-DHIUTWEWSA-N 2 1 406.574 3.594 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C[N@H+]1Cc1ccccc1 ZINC000467690241 992946727 /nfs/dbraw/zinc/94/67/27/992946727.db2.gz CNFIYPVAQZIHAK-WMZHIEFXSA-N 2 1 409.599 3.628 20 0 HHADMP C[C@H](NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467856406 993087876 /nfs/dbraw/zinc/08/78/76/993087876.db2.gz YPPQUYKTFDASQC-MDKPJZGXSA-N 2 1 421.632 3.732 20 0 HHADMP C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467856406 993087880 /nfs/dbraw/zinc/08/78/80/993087880.db2.gz YPPQUYKTFDASQC-MDKPJZGXSA-N 2 1 421.632 3.732 20 0 HHADMP CCN(CCC[NH+](CC)CC)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000472094769 993144866 /nfs/dbraw/zinc/14/48/66/993144866.db2.gz NASBUJCLVWNKPW-NOTZXAQLSA-N 2 1 400.611 3.945 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCc1cnc2ccccc2c1 ZINC000472264561 993288513 /nfs/dbraw/zinc/28/85/13/993288513.db2.gz VMJGFSHOVCWSRD-UHFFFAOYSA-N 2 1 422.617 3.822 20 0 HHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000480778995 993646146 /nfs/dbraw/zinc/64/61/46/993646146.db2.gz JIPBEBKVOUVWDE-SQJMNOBHSA-N 2 1 403.574 3.902 20 0 HHADMP Cc1cccc([C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)N2CCOCC2)c1 ZINC000480780543 993647322 /nfs/dbraw/zinc/64/73/22/993647322.db2.gz QUMRUYGVYHDMHN-HRNNMHKYSA-N 2 1 407.602 3.869 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[N@H+]1C ZINC000480781103 993648816 /nfs/dbraw/zinc/64/88/16/993648816.db2.gz SPUBOKNTBMTCLB-QUCCMNQESA-N 3 1 412.544 3.680 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CCN1C ZINC000480781103 993648822 /nfs/dbraw/zinc/64/88/22/993648822.db2.gz SPUBOKNTBMTCLB-QUCCMNQESA-N 2 1 412.544 3.680 20 0 HHADMP COc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)ccc1OC(F)F ZINC000480899698 993757127 /nfs/dbraw/zinc/75/71/27/993757127.db2.gz LMNXVINQGLSOJJ-QGZVFWFLSA-N 2 1 419.516 3.895 20 0 HHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)[C@@H](C)C1 ZINC000480904692 993761412 /nfs/dbraw/zinc/76/14/12/993761412.db2.gz YITSPHCBWNHDQD-SIKLNZKXSA-N 2 1 410.562 3.561 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)[C@@H](C)C1 ZINC000480904692 993761424 /nfs/dbraw/zinc/76/14/24/993761424.db2.gz YITSPHCBWNHDQD-SIKLNZKXSA-N 2 1 410.562 3.561 20 0 HHADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481169753 994001535 /nfs/dbraw/zinc/00/15/35/994001535.db2.gz FQQVUSHWARUHAD-SYYKKAFVSA-N 2 1 402.966 3.888 20 0 HHADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3nc(-c4c(F)cccc4F)cs3)CC2)CC1 ZINC000481194299 994027505 /nfs/dbraw/zinc/02/75/05/994027505.db2.gz UWJXJTDBVHQKBA-UHFFFAOYSA-N 2 1 420.573 3.938 20 0 HHADMP COc1ccc([C@H](NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C2CC2)cc1 ZINC000481196421 994030033 /nfs/dbraw/zinc/03/00/33/994030033.db2.gz ZBZZBZXPDQHOSW-VFHOHQAYSA-N 2 1 421.585 3.763 20 0 HHADMP COc1ccc([C@H](NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C2CC2)cc1 ZINC000481196421 994030039 /nfs/dbraw/zinc/03/00/39/994030039.db2.gz ZBZZBZXPDQHOSW-VFHOHQAYSA-N 2 1 421.585 3.763 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cc(Br)ccc2F)[C@H](C)C1 ZINC000481408181 994242373 /nfs/dbraw/zinc/24/23/73/994242373.db2.gz RPRAVBVMTSHSAV-DNVCBOLYSA-N 2 1 401.364 3.857 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1F ZINC000481539746 994371086 /nfs/dbraw/zinc/37/10/86/994371086.db2.gz YLJVHPFHDAJWFN-AWEZNQCLSA-N 2 1 402.495 3.542 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000481582649 994423242 /nfs/dbraw/zinc/42/32/42/994423242.db2.gz OPVNFSZLSWTPPX-YNJKOYDBSA-N 2 1 421.585 3.596 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000481582649 994423250 /nfs/dbraw/zinc/42/32/50/994423250.db2.gz OPVNFSZLSWTPPX-YNJKOYDBSA-N 2 1 421.585 3.596 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(c3cc(C)ccc3OC)CCOCC2)[C@H](C)C1 ZINC000481584487 994427044 /nfs/dbraw/zinc/42/70/44/994427044.db2.gz TVODICDFGYITSG-FYYLOGMGSA-N 2 1 418.622 3.778 20 0 HHADMP CCN(C(=O)NC[C@@H]1CC[NH+](CC(C)C)C1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473746591 994650649 /nfs/dbraw/zinc/65/06/49/994650649.db2.gz HECISPNXNWHFNW-FUDKSRODSA-N 2 1 400.611 3.831 20 0 HHADMP CCN(C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000473746591 994650652 /nfs/dbraw/zinc/65/06/52/994650652.db2.gz HECISPNXNWHFNW-FUDKSRODSA-N 2 1 400.611 3.831 20 0 HHADMP CCN(C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000473746591 994650657 /nfs/dbraw/zinc/65/06/57/994650657.db2.gz HECISPNXNWHFNW-FUDKSRODSA-N 2 1 400.611 3.831 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)c2)CC1 ZINC000473820036 994748830 /nfs/dbraw/zinc/74/88/30/994748830.db2.gz IKQZPDDEBWNKGC-PMACEKPBSA-N 2 1 413.610 3.603 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000473873983 994815870 /nfs/dbraw/zinc/81/58/70/994815870.db2.gz KWGYEFPFFDAGIR-NPHXMPSESA-N 2 1 400.611 3.563 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000473880461 994826905 /nfs/dbraw/zinc/82/69/05/994826905.db2.gz WRSHWXHXCFAXLE-GZOXUSKESA-N 2 1 408.590 3.704 20 0 HHADMP COc1c(Br)cccc1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000482003189 994904705 /nfs/dbraw/zinc/90/47/05/994904705.db2.gz DBCKOIWRPRLYCY-HOTGVXAUSA-N 2 1 411.384 3.779 20 0 HHADMP C[C@H](CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1)[NH+]1CCCCC1 ZINC000474013820 995004070 /nfs/dbraw/zinc/00/40/70/995004070.db2.gz VENMOPZKCSGVTI-QGZVFWFLSA-N 2 1 410.400 3.640 20 0 HHADMP O=C(NC1CC([NH+]2CCCCC2)C1)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000474368584 995349040 /nfs/dbraw/zinc/34/90/40/995349040.db2.gz JMBXSYYJPLNESY-HDYDNRTBSA-N 2 1 424.511 3.596 20 0 HHADMP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000474482872 995441132 /nfs/dbraw/zinc/44/11/32/995441132.db2.gz PRDRMFHCMKPNCU-MSOLQXFVSA-N 2 1 422.598 3.966 20 0 HHADMP Cc1c([C@@H](C)[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)nnn1-c1ccc(F)cc1 ZINC000482460165 995464314 /nfs/dbraw/zinc/46/43/14/995464314.db2.gz POJNWJUDBQBGDU-QGZVFWFLSA-N 2 1 411.525 3.896 20 0 HHADMP C[N@H+]1CC[C@@H](CNC(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474557010 995521982 /nfs/dbraw/zinc/52/19/82/995521982.db2.gz JZAHXLXZJGBXMV-RJPLPAITSA-N 2 1 422.976 3.788 20 0 HHADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000482541927 995549788 /nfs/dbraw/zinc/54/97/88/995549788.db2.gz HPPUVCWPMSTURQ-NQIIRXRSSA-N 2 1 413.537 3.643 20 0 HHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000482544473 995552851 /nfs/dbraw/zinc/55/28/51/995552851.db2.gz QBGBARCNKCYIKJ-AWEZNQCLSA-N 2 1 402.340 3.874 20 0 HHADMP C[N@H+]1CCCN(CCC[NH2+]C(Cc2ccccc2F)Cc2ccccc2F)CC1 ZINC000482551008 995558286 /nfs/dbraw/zinc/55/82/86/995558286.db2.gz CGMRNFCUVDJLBW-UHFFFAOYSA-N 2 1 401.545 3.736 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482609190 995606788 /nfs/dbraw/zinc/60/67/88/995606788.db2.gz QXUOBIVBWHXDQZ-GOTSBHOMSA-N 2 1 409.578 3.668 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482609190 995606790 /nfs/dbraw/zinc/60/67/90/995606790.db2.gz QXUOBIVBWHXDQZ-GOTSBHOMSA-N 2 1 409.578 3.668 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cc(F)c(F)c(F)c1 ZINC000482620258 995615910 /nfs/dbraw/zinc/61/59/10/995615910.db2.gz OMXMCTUPMADBQY-WMLDXEAASA-N 2 1 405.464 3.652 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@@H](C)[C@H](c3ccccc3C)[NH+](C)C)CC2)cs1 ZINC000474786922 995710806 /nfs/dbraw/zinc/71/08/06/995710806.db2.gz CVKDJYPFVBOFJS-HTAPYJJXSA-N 2 1 414.619 3.780 20 0 HHADMP Cc1ccc(C[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C2CC2)cc1 ZINC000482821846 995772373 /nfs/dbraw/zinc/77/23/73/995772373.db2.gz LMVKCMJSUOZFLP-RPBOFIJWSA-N 2 1 405.586 3.803 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc2ccccc2n1 ZINC000482822860 995772393 /nfs/dbraw/zinc/77/23/93/995772393.db2.gz ROSTXYBSWIOPMC-PGRDOPGGSA-N 2 1 402.542 3.783 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc2ccccc2n1 ZINC000482822857 995772807 /nfs/dbraw/zinc/77/28/07/995772807.db2.gz ROSTXYBSWIOPMC-AVRDEDQJSA-N 2 1 402.542 3.783 20 0 HHADMP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1NC(C)=O ZINC000482872345 995806623 /nfs/dbraw/zinc/80/66/23/995806623.db2.gz CAKOSDJWCCTYHZ-INIZCTEOSA-N 2 1 414.550 3.821 20 0 HHADMP CCN(C(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475034141 995883803 /nfs/dbraw/zinc/88/38/03/995883803.db2.gz USSKDDFCZOMUOW-WOJBJXKFSA-N 2 1 400.592 3.657 20 0 HHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000475138118 995946848 /nfs/dbraw/zinc/94/68/48/995946848.db2.gz MBZHKUCBDXBPPK-XMMPIXPASA-N 2 1 408.590 3.944 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCC(Oc2ccccc2Cl)CC1)c1ccccc1 ZINC000475147573 995953751 /nfs/dbraw/zinc/95/37/51/995953751.db2.gz UQLYALPIPVHOAL-OAQYLSRUSA-N 2 1 415.965 3.602 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000483125098 995990663 /nfs/dbraw/zinc/99/06/63/995990663.db2.gz RHIIIDGVLCXHAX-JOCHJYFZSA-N 2 1 409.549 3.704 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000483133347 995995028 /nfs/dbraw/zinc/99/50/28/995995028.db2.gz HSJNFYRIZKMHSC-ZWKOTPCHSA-N 2 1 401.576 3.934 20 0 HHADMP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000475224632 996008245 /nfs/dbraw/zinc/00/82/45/996008245.db2.gz OOFSBVIFKWIGLL-UYAOXDASSA-N 2 1 411.546 3.533 20 0 HHADMP CCc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)cs1 ZINC000483201307 996034799 /nfs/dbraw/zinc/03/47/99/996034799.db2.gz QFXKEULRYUAKMY-IBGZPJMESA-N 2 1 418.651 3.688 20 0 HHADMP CCc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)CC2)cs1 ZINC000483201307 996034803 /nfs/dbraw/zinc/03/48/03/996034803.db2.gz QFXKEULRYUAKMY-IBGZPJMESA-N 2 1 418.651 3.688 20 0 HHADMP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475278687 996041208 /nfs/dbraw/zinc/04/12/08/996041208.db2.gz JJJPVMNBOFWTDD-IRLDBZIGSA-N 2 1 419.569 3.953 20 0 HHADMP COc1c[nH+]ccc1N1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000483219553 996044471 /nfs/dbraw/zinc/04/44/71/996044471.db2.gz KTKCEKLIHFWYHE-UHFFFAOYSA-N 2 1 409.317 3.548 20 0 HHADMP C[C@H](NC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000483238317 996054059 /nfs/dbraw/zinc/05/40/59/996054059.db2.gz WQKMZAOXKJPFAZ-NGYIFUPDSA-N 2 1 412.622 3.849 20 0 HHADMP C[C@H](NC(=O)NC[C@H](C1CC1)[NH+](C)Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000483238317 996054061 /nfs/dbraw/zinc/05/40/61/996054061.db2.gz WQKMZAOXKJPFAZ-NGYIFUPDSA-N 2 1 412.622 3.849 20 0 HHADMP C[C@H](NC(=O)NC[C@H](C1CC1)[NH+](C)Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000483238317 996054065 /nfs/dbraw/zinc/05/40/65/996054065.db2.gz WQKMZAOXKJPFAZ-NGYIFUPDSA-N 2 1 412.622 3.849 20 0 HHADMP C[N@H+](CCNC(=O)C1CC[NH+](Cc2ccsc2Cl)CC1)Cc1ccccc1 ZINC000483282839 996079682 /nfs/dbraw/zinc/07/96/82/996079682.db2.gz WPHSZENTPJQZEH-UHFFFAOYSA-N 2 1 405.995 3.862 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2ccsc2Cl)CC1)Cc1ccccc1 ZINC000483282839 996079687 /nfs/dbraw/zinc/07/96/87/996079687.db2.gz WPHSZENTPJQZEH-UHFFFAOYSA-N 2 1 405.995 3.862 20 0 HHADMP CS[C@@H]1CN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[C@@H]1[NH+]1CCCC1 ZINC000483396391 996149590 /nfs/dbraw/zinc/14/95/90/996149590.db2.gz PTTSQKFPNZMBSJ-HLAWJBBLSA-N 2 1 416.635 3.531 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000483417580 996165192 /nfs/dbraw/zinc/16/51/92/996165192.db2.gz YMJCICFVKHUWBG-FQRUVTKNSA-N 2 1 423.576 3.958 20 0 HHADMP COc1ccc2nc(C[N@@H+](C)CCC3CC[NH+](C4CCN(C)CC4)CC3)sc2c1 ZINC000475705189 996312094 /nfs/dbraw/zinc/31/20/94/996312094.db2.gz SRYQBXAALWTMDO-UHFFFAOYSA-N 2 1 416.635 3.933 20 0 HHADMP O[C@@H](COCc1cccs1)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475729535 996328958 /nfs/dbraw/zinc/32/89/58/996328958.db2.gz NNFIVTOXAUVPCW-GGAORHGYSA-N 2 1 400.588 3.614 20 0 HHADMP O[C@@H](COCc1cccs1)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475729535 996328971 /nfs/dbraw/zinc/32/89/71/996328971.db2.gz NNFIVTOXAUVPCW-GGAORHGYSA-N 2 1 400.588 3.614 20 0 HHADMP O[C@@H](COCc1cccs1)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475729535 996328981 /nfs/dbraw/zinc/32/89/81/996328981.db2.gz NNFIVTOXAUVPCW-GGAORHGYSA-N 2 1 400.588 3.614 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C[C@@H]1C ZINC000483692275 996331903 /nfs/dbraw/zinc/33/19/03/996331903.db2.gz LFHINYXDWLSOAU-REWPJTCUSA-N 2 1 400.611 3.933 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C[C@H]1C ZINC000483708515 996341282 /nfs/dbraw/zinc/34/12/82/996341282.db2.gz JMUJBIWNROVUDG-UTKZUKDTSA-N 2 1 407.002 3.819 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000483713050 996344214 /nfs/dbraw/zinc/34/42/14/996344214.db2.gz LZOZGSOGNQPCMX-BBTUJRGHSA-N 2 1 407.624 3.821 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000483713050 996344217 /nfs/dbraw/zinc/34/42/17/996344217.db2.gz LZOZGSOGNQPCMX-BBTUJRGHSA-N 2 1 407.624 3.821 20 0 HHADMP C[N@@H+](CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1)Cc1ccc(F)cc1 ZINC000483800088 996396087 /nfs/dbraw/zinc/39/60/87/996396087.db2.gz AZOFQGXDGKRHQG-RXVVDRJESA-N 2 1 418.582 3.701 20 0 HHADMP C[NH+](CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)Cc1ccc(F)cc1 ZINC000483800088 996396091 /nfs/dbraw/zinc/39/60/91/996396091.db2.gz AZOFQGXDGKRHQG-RXVVDRJESA-N 2 1 418.582 3.701 20 0 HHADMP C[NH+](CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)Cc1ccc(F)cc1 ZINC000483800088 996396093 /nfs/dbraw/zinc/39/60/93/996396093.db2.gz AZOFQGXDGKRHQG-RXVVDRJESA-N 2 1 418.582 3.701 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)C[C@@H]1C ZINC000483802369 996397602 /nfs/dbraw/zinc/39/76/02/996397602.db2.gz CSTQXVUMVPQRDE-DBVUQKKJSA-N 2 1 424.992 3.958 20 0 HHADMP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000483987036 996507256 /nfs/dbraw/zinc/50/72/56/996507256.db2.gz XYPGNYQCFDVPMJ-UHFFFAOYSA-N 2 1 419.013 3.964 20 0 HHADMP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000483987036 996507268 /nfs/dbraw/zinc/50/72/68/996507268.db2.gz XYPGNYQCFDVPMJ-UHFFFAOYSA-N 2 1 419.013 3.964 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccsc1 ZINC000476728045 997277479 /nfs/dbraw/zinc/27/74/79/997277479.db2.gz PICAGXRFOOPEOY-SFTDATJTSA-N 2 1 400.592 3.561 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccsc1 ZINC000476728044 997277691 /nfs/dbraw/zinc/27/76/91/997277691.db2.gz PICAGXRFOOPEOY-RTWAWAEBSA-N 2 1 400.592 3.561 20 0 HHADMP CC[NH+](CC)CCOc1cc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)ccc1OC ZINC000485000055 997363396 /nfs/dbraw/zinc/36/33/96/997363396.db2.gz FDPMQIPBMAEYBR-ICSRJNTNSA-N 2 1 420.598 3.752 20 0 HHADMP COc1ccc(COC[C@@H](O)C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000476975044 997594842 /nfs/dbraw/zinc/59/48/42/997594842.db2.gz QMGDHNFBZLOKSI-OFNKIYASSA-N 2 1 404.595 3.549 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)NCCc2c(F)cccc2F)CC1 ZINC000476980812 997601653 /nfs/dbraw/zinc/60/16/53/997601653.db2.gz HFINUZFKEGTTJE-GOSISDBHSA-N 2 1 407.549 3.600 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000476985606 997610410 /nfs/dbraw/zinc/61/04/10/997610410.db2.gz ODGJIGKQGPHNRD-IBGZPJMESA-N 2 1 400.567 3.701 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1F ZINC000485237421 997618991 /nfs/dbraw/zinc/61/89/91/997618991.db2.gz ZKCWHXBDFVHAHT-KSFYIVLOSA-N 2 1 409.509 3.810 20 0 HHADMP C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476995397 997624372 /nfs/dbraw/zinc/62/43/72/997624372.db2.gz NLDXILJEKIETCO-MOPGFXCFSA-N 2 1 403.636 3.998 20 0 HHADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000477011412 997644711 /nfs/dbraw/zinc/64/47/11/997644711.db2.gz YFNINTOIJUYDQH-WIYYLYMNSA-N 2 1 403.929 3.964 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000485287350 997685600 /nfs/dbraw/zinc/68/56/00/997685600.db2.gz KJAGNMNWNJMGSH-JDBUVZGPSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000485287350 997685606 /nfs/dbraw/zinc/68/56/06/997685606.db2.gz KJAGNMNWNJMGSH-JDBUVZGPSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000485287350 997685615 /nfs/dbraw/zinc/68/56/15/997685615.db2.gz KJAGNMNWNJMGSH-JDBUVZGPSA-N 2 1 412.622 3.790 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1F ZINC000485314804 997725258 /nfs/dbraw/zinc/72/52/58/997725258.db2.gz GEWYDIYSEXLKRN-FQEVSTJZSA-N 2 1 413.472 3.561 20 0 HHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000485397058 997826299 /nfs/dbraw/zinc/82/62/99/997826299.db2.gz QOGMAKAGWABNOU-NJYVYQBISA-N 2 1 400.611 3.648 20 0 HHADMP O=C(CCCC[NH+]1CCOCC1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000477665652 998378488 /nfs/dbraw/zinc/37/84/88/998378488.db2.gz SZLQFNKUZBOJBI-UHFFFAOYSA-N 2 1 413.606 3.536 20 0 HHADMP O=C(CCCC[NH+]1CCOCC1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000477665652 998378498 /nfs/dbraw/zinc/37/84/98/998378498.db2.gz SZLQFNKUZBOJBI-UHFFFAOYSA-N 2 1 413.606 3.536 20 0 HHADMP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000477910431 998650602 /nfs/dbraw/zinc/65/06/02/998650602.db2.gz GLSDGYSMRZRWAG-GOSISDBHSA-N 2 1 419.591 3.531 20 0 HHADMP CC(C)C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000486214206 998651608 /nfs/dbraw/zinc/65/16/08/998651608.db2.gz LKOFRUGOACVGIN-MLDBQTBOSA-N 2 1 400.611 3.878 20 0 HHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000486217886 998654442 /nfs/dbraw/zinc/65/44/42/998654442.db2.gz BSDHBSDBIIMIIW-PKTZIBPZSA-N 2 1 400.611 3.934 20 0 HHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000486217886 998654445 /nfs/dbraw/zinc/65/44/45/998654445.db2.gz BSDHBSDBIIMIIW-PKTZIBPZSA-N 2 1 400.611 3.934 20 0 HHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000486217886 998654446 /nfs/dbraw/zinc/65/44/46/998654446.db2.gz BSDHBSDBIIMIIW-PKTZIBPZSA-N 2 1 400.611 3.934 20 0 HHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000486217889 998654580 /nfs/dbraw/zinc/65/45/80/998654580.db2.gz BSDHBSDBIIMIIW-XZOQPEGZSA-N 2 1 400.611 3.934 20 0 HHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000486217889 998654585 /nfs/dbraw/zinc/65/45/85/998654585.db2.gz BSDHBSDBIIMIIW-XZOQPEGZSA-N 2 1 400.611 3.934 20 0 HHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000486217889 998654588 /nfs/dbraw/zinc/65/45/88/998654588.db2.gz BSDHBSDBIIMIIW-XZOQPEGZSA-N 2 1 400.611 3.934 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000486272458 998689662 /nfs/dbraw/zinc/68/96/62/998689662.db2.gz AYIVHSXHBJDCPJ-YADHBBJMSA-N 2 1 420.548 3.662 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000486272458 998689668 /nfs/dbraw/zinc/68/96/68/998689668.db2.gz AYIVHSXHBJDCPJ-YADHBBJMSA-N 2 1 420.548 3.662 20 0 HHADMP Cc1nc(COc2ccc(C[NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)no1 ZINC000486567139 998830310 /nfs/dbraw/zinc/83/03/10/998830310.db2.gz PBFAVNPNZAIKAQ-XMSQKQJNSA-N 2 1 406.530 3.957 20 0 HHADMP NC(=O)[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(Br)c1 ZINC000478975222 999230575 /nfs/dbraw/zinc/23/05/75/999230575.db2.gz GTVKYWWXJMXEDR-HXUWFJFHSA-N 2 1 416.363 3.751 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000479066960 999277851 /nfs/dbraw/zinc/27/78/51/999277851.db2.gz KCFOLASPFOJXQH-DYXWJJEUSA-N 2 1 415.603 3.655 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000479066960 999277855 /nfs/dbraw/zinc/27/78/55/999277855.db2.gz KCFOLASPFOJXQH-DYXWJJEUSA-N 2 1 415.603 3.655 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000487897465 999308981 /nfs/dbraw/zinc/30/89/81/999308981.db2.gz NVRUXOMWWIZEOV-SGLNWRHMSA-N 2 1 408.537 3.661 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000487897465 999308985 /nfs/dbraw/zinc/30/89/85/999308985.db2.gz NVRUXOMWWIZEOV-SGLNWRHMSA-N 2 1 408.537 3.661 20 0 HHADMP CC(C)(C)c1csc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)n1 ZINC000487975915 999333819 /nfs/dbraw/zinc/33/38/19/999333819.db2.gz GEKGRWOYSDHTHN-UHFFFAOYSA-N 2 1 406.640 3.645 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)c1cccc(OC)c1 ZINC000488127781 999385077 /nfs/dbraw/zinc/38/50/77/999385077.db2.gz KTTUZGZRALDDOT-CVDCTZTESA-N 2 1 416.610 3.594 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000479344637 999395454 /nfs/dbraw/zinc/39/54/54/999395454.db2.gz FZDJBKBQPIDQNC-NFBKMPQASA-N 2 1 400.611 3.933 20 0 HHADMP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000488182923 999405456 /nfs/dbraw/zinc/40/54/56/999405456.db2.gz LQNGHUNUQJJQLL-RUZDIDTESA-N 2 1 406.574 3.652 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488564329 999529447 /nfs/dbraw/zinc/52/94/47/999529447.db2.gz WSWSAXMBFHUAFX-HWIPXOPOSA-N 2 1 420.601 3.859 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488564329 999529448 /nfs/dbraw/zinc/52/94/48/999529448.db2.gz WSWSAXMBFHUAFX-HWIPXOPOSA-N 2 1 420.601 3.859 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488564329 999529451 /nfs/dbraw/zinc/52/94/51/999529451.db2.gz WSWSAXMBFHUAFX-HWIPXOPOSA-N 2 1 420.601 3.859 20 0 HHADMP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000488615969 999546927 /nfs/dbraw/zinc/54/69/27/999546927.db2.gz UWXLIELEJAWHTD-TYCQWZJGSA-N 2 1 408.537 3.520 20 0 HHADMP CC[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000488615969 999546932 /nfs/dbraw/zinc/54/69/32/999546932.db2.gz UWXLIELEJAWHTD-TYCQWZJGSA-N 2 1 408.537 3.520 20 0 HHADMP CC[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000488615969 999546938 /nfs/dbraw/zinc/54/69/38/999546938.db2.gz UWXLIELEJAWHTD-TYCQWZJGSA-N 2 1 408.537 3.520 20 0 HHADMP CC[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000488615969 999546941 /nfs/dbraw/zinc/54/69/41/999546941.db2.gz UWXLIELEJAWHTD-TYCQWZJGSA-N 2 1 408.537 3.520 20 0 HHADMP c1csc([C@H]2CCC[NH+](CCOCC[N@H+]3CCC[C@H](c4nccs4)C3)C2)n1 ZINC000488646911 999556933 /nfs/dbraw/zinc/55/69/33/999556933.db2.gz QOSSYYZEFKLDCS-ROUUACIJSA-N 2 1 406.621 3.675 20 0 HHADMP CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+]([C@@H](C)c4ccccc4)C3)cc2)CC1 ZINC000488666277 999564461 /nfs/dbraw/zinc/56/44/61/999564461.db2.gz FKFNWZJMONFZBH-XUZZJYLKSA-N 2 1 420.601 3.782 20 0 HHADMP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)ccc1OC(F)F ZINC000479875473 999632878 /nfs/dbraw/zinc/63/28/78/999632878.db2.gz QRIWLDYVZNTOAT-MRXNPFEDSA-N 2 1 406.473 3.980 20 0 HHADMP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H](C)C1 ZINC000488963850 999659078 /nfs/dbraw/zinc/65/90/78/999659078.db2.gz XGBGACJKKHJVPQ-BVCNVDNMSA-N 2 1 410.606 3.554 20 0 HHADMP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H](C)C1 ZINC000488963850 999659079 /nfs/dbraw/zinc/65/90/79/999659079.db2.gz XGBGACJKKHJVPQ-BVCNVDNMSA-N 2 1 410.606 3.554 20 0 HHADMP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H](C)C1 ZINC000488963850 999659080 /nfs/dbraw/zinc/65/90/80/999659080.db2.gz XGBGACJKKHJVPQ-BVCNVDNMSA-N 2 1 410.606 3.554 20 0 HHADMP CCOC(=O)c1cc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ncc1Cl ZINC000480072285 999709487 /nfs/dbraw/zinc/70/94/87/999709487.db2.gz KVBDOWDHQMZHMI-UHFFFAOYSA-N 2 1 423.001 3.544 20 0 HHADMP COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000489158354 999713660 /nfs/dbraw/zinc/71/36/60/999713660.db2.gz RMCVSYYXJPINFG-FQEVSTJZSA-N 2 1 409.574 3.605 20 0 HHADMP C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000489210023 999723149 /nfs/dbraw/zinc/72/31/49/999723149.db2.gz ZXQPTVQMQGRKGT-IPJJNNNSSA-N 2 1 414.619 3.951 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000489290218 999738328 /nfs/dbraw/zinc/73/83/28/999738328.db2.gz AZPCMBUNJHDSAJ-LEOXJPRUSA-N 2 1 412.553 3.638 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc([S@](C)=O)cc1 ZINC000480233320 999752363 /nfs/dbraw/zinc/75/23/63/999752363.db2.gz UZOBICCLVWPEFP-ULJIIRHISA-N 2 1 400.588 3.884 20 0 HHADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)C[C@@H](C)C1 ZINC000489410739 999761147 /nfs/dbraw/zinc/76/11/47/999761147.db2.gz ZPKLXPWMCWEFKY-RVDAZCDBSA-N 2 1 404.624 3.503 20 0 HHADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C[C@@H](C)C1 ZINC000489410739 999761149 /nfs/dbraw/zinc/76/11/49/999761149.db2.gz ZPKLXPWMCWEFKY-RVDAZCDBSA-N 2 1 404.624 3.503 20 0 HHADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C[C@@H](C)C1 ZINC000489410739 999761150 /nfs/dbraw/zinc/76/11/50/999761150.db2.gz ZPKLXPWMCWEFKY-RVDAZCDBSA-N 2 1 404.624 3.503 20 0 HHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000489430286 999765900 /nfs/dbraw/zinc/76/59/00/999765900.db2.gz GRDODQKTCQKTIN-QHAWAJNXSA-N 2 1 400.611 3.659 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000489527548 999784571 /nfs/dbraw/zinc/78/45/71/999784571.db2.gz QIIYDAQOXPRLPG-HOJAQTOUSA-N 2 1 400.592 3.561 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000489536888 999787250 /nfs/dbraw/zinc/78/72/50/999787250.db2.gz YHVUMHKYZJRRFR-JRGCBEDISA-N 2 1 400.592 3.561 20 0 HHADMP C[C@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)c1cccc(OCC[NH+](C)C)c1 ZINC000480457096 999803528 /nfs/dbraw/zinc/80/35/28/999803528.db2.gz WNZHKEIZOROFOC-AWEZNQCLSA-N 2 1 407.440 3.539 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)[nH+]c1 ZINC000489632061 999806526 /nfs/dbraw/zinc/80/65/26/999806526.db2.gz VGDDGPDPQRYRAY-NFBKMPQASA-N 2 1 421.589 3.569 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)CC2)[nH+]c1 ZINC000489632061 999806529 /nfs/dbraw/zinc/80/65/29/999806529.db2.gz VGDDGPDPQRYRAY-NFBKMPQASA-N 2 1 421.589 3.569 20 0 HHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)N2CCSc3ccccc32)CC1 ZINC000489635650 999807192 /nfs/dbraw/zinc/80/71/92/999807192.db2.gz QJOYWJIKRKZABV-UHFFFAOYSA-N 2 1 409.599 3.969 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)N2CCSc3ccccc32)CC1 ZINC000489635650 999807194 /nfs/dbraw/zinc/80/71/94/999807194.db2.gz QJOYWJIKRKZABV-UHFFFAOYSA-N 2 1 409.599 3.969 20 0 HHADMP c1c[nH]c([C@@H]2CCC[NH+](Cc3cccc(C[N@H+]4CCC[C@H](c5ncc[nH]5)C4)c3)C2)n1 ZINC000489735805 999827935 /nfs/dbraw/zinc/82/79/35/999827935.db2.gz GUDJQTUJUXHRIX-SZPZYZBQSA-N 2 1 404.562 3.892 20 0 HHADMP c1c[nH]c([C@@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCC[C@H](c5ncc[nH]5)C4)c3)C2)n1 ZINC000489735805 999827937 /nfs/dbraw/zinc/82/79/37/999827937.db2.gz GUDJQTUJUXHRIX-SZPZYZBQSA-N 2 1 404.562 3.892 20 0 HHADMP c1c[nH]c([C@@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCC[C@H](c5ncc[nH]5)C4)c3)C2)n1 ZINC000489735805 999827939 /nfs/dbraw/zinc/82/79/39/999827939.db2.gz GUDJQTUJUXHRIX-SZPZYZBQSA-N 2 1 404.562 3.892 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@@H](c2ccccc2)N2CCOCC2)cc1F ZINC000480593995 999836006 /nfs/dbraw/zinc/83/60/06/999836006.db2.gz JAAGMGKXIBOTPT-KOSHJBKYSA-N 2 1 408.521 3.871 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000489838676 999846912 /nfs/dbraw/zinc/84/69/12/999846912.db2.gz UGRSJKXVOFJQOO-XUZZJYLKSA-N 2 1 408.590 3.718 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000489838676 999846913 /nfs/dbraw/zinc/84/69/13/999846913.db2.gz UGRSJKXVOFJQOO-XUZZJYLKSA-N 2 1 408.590 3.718 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000489838676 999846915 /nfs/dbraw/zinc/84/69/15/999846915.db2.gz UGRSJKXVOFJQOO-XUZZJYLKSA-N 2 1 408.590 3.718 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000489847294 999848664 /nfs/dbraw/zinc/84/86/64/999848664.db2.gz ZEFFQXHIABDFBD-UKILVPOCSA-N 2 1 420.601 3.687 20 0 HHADMP c1cn(-c2ccccc2)c(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000480645877 999850135 /nfs/dbraw/zinc/85/01/35/999850135.db2.gz QGIHZJODCJTPPQ-UHFFFAOYSA-N 2 1 403.574 3.560 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000489895434 999857453 /nfs/dbraw/zinc/85/74/53/999857453.db2.gz BSMGMKKVJHXSCR-NRFANRHFSA-N 2 1 400.611 3.947 20 0 HHADMP C[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)cc2)CC[N@@H+](C2CCC2)C1 ZINC000489920752 999862653 /nfs/dbraw/zinc/86/26/53/999862653.db2.gz UPJGJHXSCOBWDJ-ORYQWCPZSA-N 2 1 404.986 3.601 20 0 HHADMP C[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)cc2)CC[N@H+](C2CCC2)C1 ZINC000489920752 999862654 /nfs/dbraw/zinc/86/26/54/999862654.db2.gz UPJGJHXSCOBWDJ-ORYQWCPZSA-N 2 1 404.986 3.601 20 0 HHADMP C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC[NH+](C2CCC2)C1 ZINC000489920752 999862657 /nfs/dbraw/zinc/86/26/57/999862657.db2.gz UPJGJHXSCOBWDJ-ORYQWCPZSA-N 2 1 404.986 3.601 20 0 HHADMP C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC[NH+](C2CCC2)C1 ZINC000489920752 999862659 /nfs/dbraw/zinc/86/26/59/999862659.db2.gz UPJGJHXSCOBWDJ-ORYQWCPZSA-N 2 1 404.986 3.601 20 0 HHADMP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCOCC1)c1ccccc1 ZINC000480712187 999865515 /nfs/dbraw/zinc/86/55/15/999865515.db2.gz ILXLZZPFFLMDRH-IFMALSPDSA-N 2 1 413.606 3.657 20 0 HHADMP O=C(C1CC[NH+](C2CC2)CC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000490422090 999955303 /nfs/dbraw/zinc/95/53/03/999955303.db2.gz NKAGJWZBMKCNLK-UHFFFAOYSA-N 2 1 403.570 3.795 20 0 HHADMP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000490752432 1000000854 /nfs/dbraw/zinc/00/08/54/1000000854.db2.gz BUTBLZGOWPKQQT-OAQYLSRUSA-N 2 1 400.567 3.703 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000491031762 1000036729 /nfs/dbraw/zinc/03/67/29/1000036729.db2.gz NUZKVLOGVHXYIY-WZONZLPQSA-N 2 1 411.571 3.919 20 0 HHADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000491147252 1000050262 /nfs/dbraw/zinc/05/02/62/1000050262.db2.gz WUQHZPVWCKZWGC-SGKWCMOWSA-N 2 1 412.622 3.660 20 0 HHADMP C[C@@H]1C[C@H]1[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000491147252 1000050265 /nfs/dbraw/zinc/05/02/65/1000050265.db2.gz WUQHZPVWCKZWGC-SGKWCMOWSA-N 2 1 412.622 3.660 20 0 HHADMP C[C@@H]1C[C@H]1[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000491147252 1000050266 /nfs/dbraw/zinc/05/02/66/1000050266.db2.gz WUQHZPVWCKZWGC-SGKWCMOWSA-N 2 1 412.622 3.660 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccc(Cn3ccnc3)cn2)C1 ZINC000491973897 1000102668 /nfs/dbraw/zinc/10/26/68/1000102668.db2.gz ACHKPSRDOHDEKI-LJQANCHMSA-N 2 1 418.545 3.880 20 0 HHADMP C[C@@H]1[C@@H](NC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000492426257 1000126487 /nfs/dbraw/zinc/12/64/87/1000126487.db2.gz UZDOIIVCVZGAHK-SDUSCBPUSA-N 2 1 420.601 3.513 20 0 HHADMP C[C@@H]1[C@@H](NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000492426257 1000126490 /nfs/dbraw/zinc/12/64/90/1000126490.db2.gz UZDOIIVCVZGAHK-SDUSCBPUSA-N 2 1 420.601 3.513 20 0 HHADMP C[C@@H]1[C@@H](NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000492426257 1000126492 /nfs/dbraw/zinc/12/64/92/1000126492.db2.gz UZDOIIVCVZGAHK-SDUSCBPUSA-N 2 1 420.601 3.513 20 0 HHADMP COC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(Cl)cc1 ZINC000493978613 1000249767 /nfs/dbraw/zinc/24/97/67/1000249767.db2.gz TWMVMCWPDYSDSQ-IRLDBZIGSA-N 2 1 415.965 3.515 20 0 HHADMP Cc1nc2ccc(C[NH2+]Cc3cccc(C[N@H+]4CCC[C@@H](C(N)=O)C4)c3)cc2s1 ZINC000494028881 1000276132 /nfs/dbraw/zinc/27/61/32/1000276132.db2.gz TYNYYUZVFVRIIA-HXUWFJFHSA-N 2 1 408.571 3.592 20 0 HHADMP CC(C)(CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000504744574 1000351475 /nfs/dbraw/zinc/35/14/75/1000351475.db2.gz BTXMZPUJVDICSU-NRFANRHFSA-N 2 1 410.562 3.553 20 0 HHADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504876404 1000420763 /nfs/dbraw/zinc/42/07/63/1000420763.db2.gz OHYXXNNYNKQUGG-QFIPXVFZSA-N 2 1 421.589 3.533 20 0 HHADMP C[C@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000504887137 1000428324 /nfs/dbraw/zinc/42/83/24/1000428324.db2.gz AIBPLBJVIABBPN-DENIHFKCSA-N 2 1 410.562 3.553 20 0 HHADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000504907106 1000441005 /nfs/dbraw/zinc/44/10/05/1000441005.db2.gz CSNRZQHWCYIHJR-XMMPIXPASA-N 2 1 406.574 3.569 20 0 HHADMP O=C(N[C@@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000504907106 1000441012 /nfs/dbraw/zinc/44/10/12/1000441012.db2.gz CSNRZQHWCYIHJR-XMMPIXPASA-N 2 1 406.574 3.569 20 0 HHADMP O=C(N[C@@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000504907106 1000441015 /nfs/dbraw/zinc/44/10/15/1000441015.db2.gz CSNRZQHWCYIHJR-XMMPIXPASA-N 2 1 406.574 3.569 20 0 HHADMP C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000504909010 1000442274 /nfs/dbraw/zinc/44/22/74/1000442274.db2.gz NLIDSSGLFUTYBD-RDPSFJRHSA-N 2 1 406.574 3.570 20 0 HHADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504931028 1000455303 /nfs/dbraw/zinc/45/53/03/1000455303.db2.gz RSLFCMNJTOQXHW-VXKWHMMOSA-N 2 1 410.562 3.770 20 0 HHADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000504988370 1000491455 /nfs/dbraw/zinc/49/14/55/1000491455.db2.gz KXKFPCPXCUOXIX-GOSISDBHSA-N 2 1 414.619 3.836 20 0 HHADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000504988370 1000491460 /nfs/dbraw/zinc/49/14/60/1000491460.db2.gz KXKFPCPXCUOXIX-GOSISDBHSA-N 2 1 414.619 3.836 20 0 HHADMP C[C@H]1CCCC[C@H]1OCC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000494566754 1000557648 /nfs/dbraw/zinc/55/76/48/1000557648.db2.gz WUDRZKWEMOIAEU-XUZZJYLKSA-N 2 1 415.622 3.542 20 0 HHADMP C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000495024981 1000785613 /nfs/dbraw/zinc/78/56/13/1000785613.db2.gz MCKAVCIHICMCJB-HNNXBMFYSA-N 2 1 404.555 3.940 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000505738129 1001001055 /nfs/dbraw/zinc/00/10/55/1001001055.db2.gz MUCODVJMIPSDPP-WMZHIEFXSA-N 2 1 411.590 3.826 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NCCC[N@H+](C)Cc3ccccc3)cc2)C[C@@H](C)O1 ZINC000505883493 1001079060 /nfs/dbraw/zinc/07/90/60/1001079060.db2.gz BJANBJFBKWCHPK-NHCUHLMSSA-N 2 1 409.574 3.548 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NCCC[N@@H+](C)Cc3ccccc3)cc2)C[C@@H](C)O1 ZINC000505883493 1001079065 /nfs/dbraw/zinc/07/90/65/1001079065.db2.gz BJANBJFBKWCHPK-NHCUHLMSSA-N 2 1 409.574 3.548 20 0 HHADMP Fc1ccc(-c2nnc3n2C[C@H]([NH2+]C2CC[NH+](Cc4ccccc4)CC2)CC3)cc1 ZINC000505990282 1001146747 /nfs/dbraw/zinc/14/67/47/1001146747.db2.gz BKOVKLXMMBAVBD-JOCHJYFZSA-N 2 1 405.521 3.653 20 0 HHADMP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000505995949 1001151193 /nfs/dbraw/zinc/15/11/93/1001151193.db2.gz KKENSRHRGWIDQW-VQTJNVASSA-N 2 1 416.569 3.710 20 0 HHADMP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000505995949 1001151199 /nfs/dbraw/zinc/15/11/99/1001151199.db2.gz KKENSRHRGWIDQW-VQTJNVASSA-N 2 1 416.569 3.710 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC000506016051 1001164663 /nfs/dbraw/zinc/16/46/63/1001164663.db2.gz CMIQRRJDOIHYQW-OAQYLSRUSA-N 2 1 401.501 3.522 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[NH+]2CCCC2)o1 ZINC000506470533 1001426736 /nfs/dbraw/zinc/42/67/36/1001426736.db2.gz SIFURNFRHVISOO-IFMALSPDSA-N 2 1 413.537 3.892 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)[NH+](C)C)cc1 ZINC000506621464 1001474003 /nfs/dbraw/zinc/47/40/03/1001474003.db2.gz RPMPCQHXDMOPLX-GIWBLDEGSA-N 2 1 400.611 3.894 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)c1ccco1 ZINC000506623868 1001474847 /nfs/dbraw/zinc/47/48/47/1001474847.db2.gz FCEDXMNFYGVGPJ-NJDAHSKKSA-N 2 1 404.599 3.959 20 0 HHADMP CS[C@@H]1CN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C[C@@H]1[NH+](C)C ZINC000497656991 1001474941 /nfs/dbraw/zinc/47/49/41/1001474941.db2.gz KLSXOLUGDMSCJK-LEWJYISDSA-N 2 1 404.624 3.960 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)[NH+]1CCc2sccc2C1 ZINC000506935712 1001602567 /nfs/dbraw/zinc/60/25/67/1001602567.db2.gz SYPXKDLRRDVNKX-ZCNNSNEGSA-N 2 1 418.651 3.791 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)[NH+]1CCc2sccc2C1 ZINC000506935712 1001602571 /nfs/dbraw/zinc/60/25/71/1001602571.db2.gz SYPXKDLRRDVNKX-ZCNNSNEGSA-N 2 1 418.651 3.791 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1)[N@@H+]1CCc2sccc2C1 ZINC000506935712 1001602574 /nfs/dbraw/zinc/60/25/74/1001602574.db2.gz SYPXKDLRRDVNKX-ZCNNSNEGSA-N 2 1 418.651 3.791 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1)[N@H+]1CCc2sccc2C1 ZINC000506935712 1001602580 /nfs/dbraw/zinc/60/25/80/1001602580.db2.gz SYPXKDLRRDVNKX-ZCNNSNEGSA-N 2 1 418.651 3.791 20 0 HHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000498031329 1001613664 /nfs/dbraw/zinc/61/36/64/1001613664.db2.gz VFXJYNMFKMHWMY-RXVVDRJESA-N 2 1 418.607 3.888 20 0 HHADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000498031329 1001613665 /nfs/dbraw/zinc/61/36/65/1001613665.db2.gz VFXJYNMFKMHWMY-RXVVDRJESA-N 2 1 418.607 3.888 20 0 HHADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000498031329 1001613668 /nfs/dbraw/zinc/61/36/68/1001613668.db2.gz VFXJYNMFKMHWMY-RXVVDRJESA-N 2 1 418.607 3.888 20 0 HHADMP COc1cccc([C@@H]2[C@@H](NC(=O)NCCC[NH+]3CCCC[C@H]3C)CC[N@H+]2C2CC2)c1 ZINC000498114145 1001646650 /nfs/dbraw/zinc/64/66/50/1001646650.db2.gz LNXVNUNFPFQFLJ-YFXJRYMSSA-N 2 1 414.594 3.537 20 0 HHADMP COc1cccc([C@@H]2[C@@H](NC(=O)NCCC[N@@H+]3CCCC[C@H]3C)CC[NH+]2C2CC2)c1 ZINC000498114145 1001646654 /nfs/dbraw/zinc/64/66/54/1001646654.db2.gz LNXVNUNFPFQFLJ-YFXJRYMSSA-N 2 1 414.594 3.537 20 0 HHADMP COc1cccc([C@@H]2[C@@H](NC(=O)NCCC[N@H+]3CCCC[C@H]3C)CC[NH+]2C2CC2)c1 ZINC000498114145 1001646655 /nfs/dbraw/zinc/64/66/55/1001646655.db2.gz LNXVNUNFPFQFLJ-YFXJRYMSSA-N 2 1 414.594 3.537 20 0 HHADMP C[C@H](NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498115559 1001647041 /nfs/dbraw/zinc/64/70/41/1001647041.db2.gz AWKRMUQJLZHAEJ-HARLFGEKSA-N 2 1 412.553 3.638 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000506981197 1001744512 /nfs/dbraw/zinc/74/45/12/1001744512.db2.gz BVSIYWRYPACVMW-OAHLLOKOSA-N 2 1 418.916 3.821 20 0 HHADMP CCC1(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC[NH+](Cc2ccccc2)CC1 ZINC000498276144 1001749819 /nfs/dbraw/zinc/74/98/19/1001749819.db2.gz NAPKLCJORBQCAU-PKTZIBPZSA-N 2 1 412.622 3.805 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000498616855 1002017118 /nfs/dbraw/zinc/01/71/18/1002017118.db2.gz JUJQAHCMUPYCCH-LADGPHEKSA-N 2 1 421.585 3.861 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000498687375 1002074465 /nfs/dbraw/zinc/07/44/65/1002074465.db2.gz ATEGVHJRTRWUHK-NFBKMPQASA-N 2 1 400.611 3.660 20 0 HHADMP O=C([C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N1CCCC1 ZINC000507466809 1002087939 /nfs/dbraw/zinc/08/79/39/1002087939.db2.gz DKNAAJLRCLLILU-SSUZURRFSA-N 2 1 417.597 3.720 20 0 HHADMP O=C([C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N1CCCC1 ZINC000507466809 1002087929 /nfs/dbraw/zinc/08/79/29/1002087929.db2.gz DKNAAJLRCLLILU-SSUZURRFSA-N 2 1 417.597 3.720 20 0 HHADMP O=c1ccccn1Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000507510914 1002121729 /nfs/dbraw/zinc/12/17/29/1002121729.db2.gz NNJOIVNWZDXVBS-UODIDJSMSA-N 2 1 413.565 3.897 20 0 HHADMP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000498901021 1002292345 /nfs/dbraw/zinc/29/23/45/1002292345.db2.gz LFBZTXRTUWDKPR-JTHBVZDNSA-N 2 1 400.611 3.947 20 0 HHADMP Cc1cc(NC(=O)CCN2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)no1 ZINC000507928917 1002462003 /nfs/dbraw/zinc/46/20/03/1002462003.db2.gz GCYVBCXDVCKYDZ-UHFFFAOYSA-N 2 1 424.467 3.927 20 0 HHADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000499102066 1002493106 /nfs/dbraw/zinc/49/31/06/1002493106.db2.gz QDSWICGKVVXSLQ-YGOYIFOWSA-N 2 1 424.589 3.508 20 0 HHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000499114483 1002503947 /nfs/dbraw/zinc/50/39/47/1002503947.db2.gz XVFJKMLFMYZYNP-BLKABHOGSA-N 2 1 412.578 3.919 20 0 HHADMP Fc1cccc([C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)N2CCOCC2)c1 ZINC000499139406 1002523943 /nfs/dbraw/zinc/52/39/43/1002523943.db2.gz OXBNAPADZGLAIV-XDZVQPMWSA-N 2 1 423.576 3.984 20 0 HHADMP COc1cc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1OCCO ZINC000499139597 1002524695 /nfs/dbraw/zinc/52/46/95/1002524695.db2.gz PUNPOAMXLKNYOL-FDTGPBLFSA-N 2 1 410.558 3.913 20 0 HHADMP C[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000499150779 1002534755 /nfs/dbraw/zinc/53/47/55/1002534755.db2.gz ZCWSXXKYFDQIOV-KQPVPGJTSA-N 2 1 418.629 3.982 20 0 HHADMP C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499221130 1002607036 /nfs/dbraw/zinc/60/70/36/1002607036.db2.gz CYASOIIQNAEJGW-STAKNXPZSA-N 2 1 418.629 3.982 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(Br)ccc1Cl ZINC000499509282 1002898985 /nfs/dbraw/zinc/89/89/85/1002898985.db2.gz QCVCTKNVDFLCMM-HNNXBMFYSA-N 2 1 416.791 3.591 20 0 HHADMP C[C@@H]([NH2+]C1CCN(C(=O)NC2CCCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508712682 1003150519 /nfs/dbraw/zinc/15/05/19/1003150519.db2.gz ROMYTALSLJVDQV-IRLDBZIGSA-N 2 1 412.622 3.993 20 0 HHADMP C[C@H]([NH2+]CCCN1CC[NH+](C)C[C@@H]1c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508718986 1003158964 /nfs/dbraw/zinc/15/89/64/1003158964.db2.gz OOMSCOCFWQTULM-MSLLRLGPSA-N 3 1 420.645 3.865 20 0 HHADMP C[C@H]([NH2+]CCCN1CCN(C)C[C@@H]1c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508718986 1003158975 /nfs/dbraw/zinc/15/89/75/1003158975.db2.gz OOMSCOCFWQTULM-MSLLRLGPSA-N 2 1 420.645 3.865 20 0 HHADMP C[C@H]([NH2+]CCCN1CCN(C)C[C@@H]1c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508718986 1003158983 /nfs/dbraw/zinc/15/89/83/1003158983.db2.gz OOMSCOCFWQTULM-MSLLRLGPSA-N 2 1 420.645 3.865 20 0 HHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508718986 1003158956 /nfs/dbraw/zinc/15/89/56/1003158956.db2.gz OOMSCOCFWQTULM-MSLLRLGPSA-N 3 1 420.645 3.865 20 0 HHADMP C[C@H]([NH2+]CCCN1CC[NH+](C)C[C@@H]1c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508718986 1003158971 /nfs/dbraw/zinc/15/89/71/1003158971.db2.gz OOMSCOCFWQTULM-MSLLRLGPSA-N 3 1 420.645 3.865 20 0 HHADMP Cc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)N2CCOCC2)cc1 ZINC000508722062 1003162788 /nfs/dbraw/zinc/16/27/88/1003162788.db2.gz WQANDVKOUVANGP-DFCKQENNSA-N 2 1 407.602 3.869 20 0 HHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1)[NH+](C)C ZINC000508869098 1003289227 /nfs/dbraw/zinc/28/92/27/1003289227.db2.gz GXBAGDVHSZGDLS-XXBNENTESA-N 2 1 410.562 3.943 20 0 HHADMP Cn1nccc1-c1ccccc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000508879492 1003300425 /nfs/dbraw/zinc/30/04/25/1003300425.db2.gz QLOPRKKLMQJPPU-UHFFFAOYSA-N 3 1 409.622 3.715 20 0 HHADMP Cn1nccc1-c1ccccc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000508879492 1003300435 /nfs/dbraw/zinc/30/04/35/1003300435.db2.gz QLOPRKKLMQJPPU-UHFFFAOYSA-N 3 1 409.622 3.715 20 0 HHADMP Cn1nccc1-c1ccccc1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000508879492 1003300412 /nfs/dbraw/zinc/30/04/12/1003300412.db2.gz QLOPRKKLMQJPPU-UHFFFAOYSA-N 2 1 409.622 3.715 20 0 HHADMP C[C@H](NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508897645 1003329314 /nfs/dbraw/zinc/32/93/14/1003329314.db2.gz OHIDZQXMIVMMGF-CVJWPJSTSA-N 2 1 420.601 3.985 20 0 HHADMP C[C@H](NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000508906763 1003344377 /nfs/dbraw/zinc/34/43/77/1003344377.db2.gz OHENNLFGMQDVDK-ADYITMSISA-N 2 1 400.611 3.974 20 0 HHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N1CCCC12CC[NH+](C)CC2)c1ccc(Cl)cc1 ZINC000509042059 1003511541 /nfs/dbraw/zinc/51/15/41/1003511541.db2.gz YDQXUSSOWXGKBC-FQEVSTJZSA-N 2 1 407.002 3.993 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cccs1 ZINC000509131927 1003575416 /nfs/dbraw/zinc/57/54/16/1003575416.db2.gz MBGOEUAMHYMKOC-FPOVZHCZSA-N 2 1 414.619 3.951 20 0 HHADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000500417275 1003704024 /nfs/dbraw/zinc/70/40/24/1003704024.db2.gz WBCQYDHDHXBOGE-HSZRJFAPSA-N 2 1 410.537 3.560 20 0 HHADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000500417275 1003704029 /nfs/dbraw/zinc/70/40/29/1003704029.db2.gz WBCQYDHDHXBOGE-HSZRJFAPSA-N 2 1 410.537 3.560 20 0 HHADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000500440980 1003719552 /nfs/dbraw/zinc/71/95/52/1003719552.db2.gz LPZQMXGMIRQWNG-HSZRJFAPSA-N 2 1 424.614 3.547 20 0 HHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cc(N2CCCC[C@H]2CO)ncn1 ZINC000509527018 1003924413 /nfs/dbraw/zinc/92/44/13/1003924413.db2.gz MKEATENXYFMQJE-SFTDATJTSA-N 2 1 409.578 3.540 20 0 HHADMP COc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c(Br)c1 ZINC000512026255 1003963350 /nfs/dbraw/zinc/96/33/50/1003963350.db2.gz SEJYWGMBAHISTN-UHFFFAOYSA-N 2 1 419.363 3.704 20 0 HHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000509594395 1003967982 /nfs/dbraw/zinc/96/79/82/1003967982.db2.gz FDGJDCUMBYRMJH-BVSLBCMMSA-N 2 1 412.578 3.872 20 0 HHADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)s1 ZINC000512082719 1004009626 /nfs/dbraw/zinc/00/96/26/1004009626.db2.gz GUIWOBKFXXQTAZ-AWEZNQCLSA-N 2 1 409.397 3.583 20 0 HHADMP CCCC[NH+]1CCC(NC(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512091902 1004016272 /nfs/dbraw/zinc/01/62/72/1004016272.db2.gz VJTDYHOPKZALOV-RBBKRZOGSA-N 2 1 400.611 3.851 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000509686776 1004029869 /nfs/dbraw/zinc/02/98/69/1004029869.db2.gz SJCQEOCFZUKDHC-XMMPIXPASA-N 2 1 422.598 3.595 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000509686776 1004029875 /nfs/dbraw/zinc/02/98/75/1004029875.db2.gz SJCQEOCFZUKDHC-XMMPIXPASA-N 2 1 422.598 3.595 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000509686776 1004029882 /nfs/dbraw/zinc/02/98/82/1004029882.db2.gz SJCQEOCFZUKDHC-XMMPIXPASA-N 2 1 422.598 3.595 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000509709392 1004043139 /nfs/dbraw/zinc/04/31/39/1004043139.db2.gz BTZCTDXUFMSWDR-IFMALSPDSA-N 2 1 400.611 3.707 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)cc1F ZINC000512149854 1004059099 /nfs/dbraw/zinc/05/90/99/1004059099.db2.gz SCUMCOOPRIWXOC-UHFFFAOYSA-N 2 1 424.545 3.799 20 0 HHADMP C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)C2)CC1 ZINC000512163665 1004068858 /nfs/dbraw/zinc/06/88/58/1004068858.db2.gz GZDZRCLARSGOPN-DHIUTWEWSA-N 2 1 412.622 3.660 20 0 HHADMP COc1cc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(SC)cc1OC ZINC000512177552 1004079785 /nfs/dbraw/zinc/07/97/85/1004079785.db2.gz FDJVHBRXJUITHV-CALCHBBNSA-N 2 1 408.608 3.747 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)NCc2ccc(C[NH+](C)C)cc2)C[N@H+]1Cc1ccccc1 ZINC000509777146 1004088814 /nfs/dbraw/zinc/08/88/14/1004088814.db2.gz LVKUHBJCFUYUGY-HYBUGGRVSA-N 2 1 408.590 3.848 20 0 HHADMP Cc1nc(-c2cc3c(s2)CC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C3)cs1 ZINC000500993250 1004099801 /nfs/dbraw/zinc/09/98/01/1004099801.db2.gz PVZVEIHUQPDQPM-UHFFFAOYSA-N 2 1 404.649 3.954 20 0 HHADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501036328 1004139046 /nfs/dbraw/zinc/13/90/46/1004139046.db2.gz YOEVJPNGUPPXIN-OAQYLSRUSA-N 2 1 412.603 3.827 20 0 HHADMP C[N@H+](CC(=O)NCC1(c2ccccc2)CCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501035485 1004139067 /nfs/dbraw/zinc/13/90/67/1004139067.db2.gz ALGSRAVHIVSZCE-UHFFFAOYSA-N 2 1 420.601 3.858 20 0 HHADMP COC[C@@H](C)n1c(C)cc(C(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000501048967 1004150465 /nfs/dbraw/zinc/15/04/65/1004150465.db2.gz ACHHRUDHCTYZSJ-LJQANCHMSA-N 2 1 412.578 3.738 20 0 HHADMP CN(C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1nc2ccccc2s1 ZINC000501053156 1004155727 /nfs/dbraw/zinc/15/57/27/1004155727.db2.gz NBTMMMVLSPEABE-UHFFFAOYSA-N 2 1 409.559 3.503 20 0 HHADMP C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501053392 1004156453 /nfs/dbraw/zinc/15/64/53/1004156453.db2.gz NJZIWMLAVNXLTQ-SFHVURJKSA-N 2 1 403.530 3.805 20 0 HHADMP COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501060651 1004162511 /nfs/dbraw/zinc/16/25/11/1004162511.db2.gz BPZQAZDKOPNZMC-MRXNPFEDSA-N 2 1 416.953 3.919 20 0 HHADMP CCOc1ccc(-c2noc(C[N@@H+](C)CC3CCN(c4cc[nH+]cc4)CC3)n2)cc1 ZINC000501062313 1004164480 /nfs/dbraw/zinc/16/44/80/1004164480.db2.gz JFRWOZAXJFOARC-UHFFFAOYSA-N 2 1 407.518 3.879 20 0 HHADMP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000512265205 1004166455 /nfs/dbraw/zinc/16/64/55/1004166455.db2.gz OWTGRDQCEYKYFQ-IBGZPJMESA-N 2 1 423.605 3.540 20 0 HHADMP C[C@@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000512268736 1004169329 /nfs/dbraw/zinc/16/93/29/1004169329.db2.gz TUVICOPUKMMQQM-OTWHNJEPSA-N 2 1 400.567 3.701 20 0 HHADMP C[C@H](CCNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000501069655 1004172779 /nfs/dbraw/zinc/17/27/79/1004172779.db2.gz IHBYYSFQSQJGJP-OAQYLSRUSA-N 2 1 423.605 3.850 20 0 HHADMP O[C@H](COc1ccccc1Cl)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512279226 1004180130 /nfs/dbraw/zinc/18/01/30/1004180130.db2.gz RVVYATSJDVNUNV-NZQKXSOJSA-N 2 1 400.950 3.678 20 0 HHADMP O[C@H](COc1ccccc1Cl)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512279226 1004180137 /nfs/dbraw/zinc/18/01/37/1004180137.db2.gz RVVYATSJDVNUNV-NZQKXSOJSA-N 2 1 400.950 3.678 20 0 HHADMP O[C@H](COc1ccccc1Cl)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512279226 1004180144 /nfs/dbraw/zinc/18/01/44/1004180144.db2.gz RVVYATSJDVNUNV-NZQKXSOJSA-N 2 1 400.950 3.678 20 0 HHADMP O[C@H](COc1ccccc1Cl)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512279226 1004180150 /nfs/dbraw/zinc/18/01/50/1004180150.db2.gz RVVYATSJDVNUNV-NZQKXSOJSA-N 2 1 400.950 3.678 20 0 HHADMP C[C@H]1C[C@H](NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000501086027 1004190823 /nfs/dbraw/zinc/19/08/23/1004190823.db2.gz UWKKSWLUTBNBAF-REWPJTCUSA-N 2 1 421.589 3.602 20 0 HHADMP C[NH+](C)CCCC1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000501085170 1004191022 /nfs/dbraw/zinc/19/10/22/1004191022.db2.gz MSTXZUBIYPAQBM-PZJWPPBQSA-N 2 1 406.640 3.894 20 0 HHADMP CN(C(=O)NC[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000501093676 1004198650 /nfs/dbraw/zinc/19/86/50/1004198650.db2.gz ZGEFRHOSMSTXEZ-TURNAIKZSA-N 2 1 422.976 3.739 20 0 HHADMP CN(C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000501093676 1004198653 /nfs/dbraw/zinc/19/86/53/1004198653.db2.gz ZGEFRHOSMSTXEZ-TURNAIKZSA-N 2 1 422.976 3.739 20 0 HHADMP CN(C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000501093676 1004198659 /nfs/dbraw/zinc/19/86/59/1004198659.db2.gz ZGEFRHOSMSTXEZ-TURNAIKZSA-N 2 1 422.976 3.739 20 0 HHADMP CN(C(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000501093674 1004198787 /nfs/dbraw/zinc/19/87/87/1004198787.db2.gz ZGEFRHOSMSTXEZ-CSVWITEBSA-N 2 1 422.976 3.739 20 0 HHADMP CN(C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000501093674 1004198794 /nfs/dbraw/zinc/19/87/94/1004198794.db2.gz ZGEFRHOSMSTXEZ-CSVWITEBSA-N 2 1 422.976 3.739 20 0 HHADMP CN(C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000501093674 1004198799 /nfs/dbraw/zinc/19/87/99/1004198799.db2.gz ZGEFRHOSMSTXEZ-CSVWITEBSA-N 2 1 422.976 3.739 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000512402961 1004273106 /nfs/dbraw/zinc/27/31/06/1004273106.db2.gz BCDUYDFVQKISHX-PRTQVNTJSA-N 2 1 400.611 3.659 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000512402961 1004273116 /nfs/dbraw/zinc/27/31/16/1004273116.db2.gz BCDUYDFVQKISHX-PRTQVNTJSA-N 2 1 400.611 3.659 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000512402961 1004273125 /nfs/dbraw/zinc/27/31/25/1004273125.db2.gz BCDUYDFVQKISHX-PRTQVNTJSA-N 2 1 400.611 3.659 20 0 HHADMP C[C@H]1C[C@@H](CCNC(=O)N(CC[NH+](C)C)Cc2ccco2)C[N@H+]1Cc1ccccc1 ZINC000512413265 1004280406 /nfs/dbraw/zinc/28/04/06/1004280406.db2.gz USADKKCDAVUDDX-RBBKRZOGSA-N 2 1 412.578 3.654 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000512423917 1004289326 /nfs/dbraw/zinc/28/93/26/1004289326.db2.gz LNBNMKPJVQIVMC-JRFVFWCSSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000512424840 1004291249 /nfs/dbraw/zinc/29/12/49/1004291249.db2.gz URXXLTYARIKWTK-NHTMILBNSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@H]1C[C@@H](CCNC(=O)N2CCC(CC[NH+](C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000512429303 1004296186 /nfs/dbraw/zinc/29/61/86/1004296186.db2.gz FJLGDKHONUVADX-NZQKXSOJSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@H]1C[C@H](CCNC(=O)c2ccccc2OCC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000510119345 1004337773 /nfs/dbraw/zinc/33/77/73/1004337773.db2.gz NVLCXCDKQYVHAX-UNMCSNQZSA-N 2 1 409.574 3.658 20 0 HHADMP C[NH+](C)Cc1cccc(CNC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c1 ZINC000510150876 1004359286 /nfs/dbraw/zinc/35/92/86/1004359286.db2.gz XCETUUKSWCDSCV-UHFFFAOYSA-N 2 1 408.590 3.598 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000501386034 1004381929 /nfs/dbraw/zinc/38/19/29/1004381929.db2.gz OSAKFSIFBSQEAN-KXTAGPOFSA-N 2 1 420.601 3.859 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501386034 1004381937 /nfs/dbraw/zinc/38/19/37/1004381937.db2.gz OSAKFSIFBSQEAN-KXTAGPOFSA-N 2 1 420.601 3.859 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501386034 1004381945 /nfs/dbraw/zinc/38/19/45/1004381945.db2.gz OSAKFSIFBSQEAN-KXTAGPOFSA-N 2 1 420.601 3.859 20 0 HHADMP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501387588 1004383678 /nfs/dbraw/zinc/38/36/78/1004383678.db2.gz IADCSYLSISTWLD-GGAORHGYSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H](c1ccc(NC(=O)N2CCC(CCC[NH+](C)C)CC2)cc1)[NH+]1CCOCC1 ZINC000501391302 1004386306 /nfs/dbraw/zinc/38/63/06/1004386306.db2.gz HHXDJMIMFKCUIR-IBGZPJMESA-N 2 1 402.583 3.666 20 0 HHADMP CC[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000501406684 1004397313 /nfs/dbraw/zinc/39/73/13/1004397313.db2.gz PLHYNBBCAHPCAN-VWLOTQADSA-N 2 1 420.601 3.919 20 0 HHADMP O[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)N(Cc2ccccc2)C1 ZINC000512626892 1004439502 /nfs/dbraw/zinc/43/95/02/1004439502.db2.gz XJBSZPFXRJJPGE-SHZNSVIDSA-N 2 1 419.613 3.512 20 0 HHADMP O[C@@H]1C[C@H](CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[NH+](Cc2ccccc2)C1 ZINC000512626892 1004439505 /nfs/dbraw/zinc/43/95/05/1004439505.db2.gz XJBSZPFXRJJPGE-SHZNSVIDSA-N 2 1 419.613 3.512 20 0 HHADMP O[C@@H]1C[C@H](CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[NH+](Cc2ccccc2)C1 ZINC000512626892 1004439509 /nfs/dbraw/zinc/43/95/09/1004439509.db2.gz XJBSZPFXRJJPGE-SHZNSVIDSA-N 2 1 419.613 3.512 20 0 HHADMP O[C@@H]1C[C@H](CN[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)[N@H+](Cc2ccccc2)C1 ZINC000512626892 1004439514 /nfs/dbraw/zinc/43/95/14/1004439514.db2.gz XJBSZPFXRJJPGE-SHZNSVIDSA-N 2 1 419.613 3.512 20 0 HHADMP O[C@@H]1C[C@H](CN[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)[N@@H+](Cc2ccccc2)C1 ZINC000512626892 1004439519 /nfs/dbraw/zinc/43/95/19/1004439519.db2.gz XJBSZPFXRJJPGE-SHZNSVIDSA-N 2 1 419.613 3.512 20 0 HHADMP C[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCC[C@@H](C)C1 ZINC000501499770 1004469580 /nfs/dbraw/zinc/46/95/80/1004469580.db2.gz CCQIGYGUOOSZIJ-RTBURBONSA-N 2 1 407.002 3.678 20 0 HHADMP C[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCC[C@@H](C)C1 ZINC000501499770 1004469583 /nfs/dbraw/zinc/46/95/83/1004469583.db2.gz CCQIGYGUOOSZIJ-RTBURBONSA-N 2 1 407.002 3.678 20 0 HHADMP C[C@H](CNC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501499770 1004469587 /nfs/dbraw/zinc/46/95/87/1004469587.db2.gz CCQIGYGUOOSZIJ-RTBURBONSA-N 2 1 407.002 3.678 20 0 HHADMP C[C@H](CNC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000501499770 1004469592 /nfs/dbraw/zinc/46/95/92/1004469592.db2.gz CCQIGYGUOOSZIJ-RTBURBONSA-N 2 1 407.002 3.678 20 0 HHADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000501533512 1004496667 /nfs/dbraw/zinc/49/66/67/1004496667.db2.gz AROXWEFMDFLEPE-OAQYLSRUSA-N 2 1 416.928 3.828 20 0 HHADMP C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501534270 1004497714 /nfs/dbraw/zinc/49/77/14/1004497714.db2.gz CTXOECNLZOABMX-WOJBJXKFSA-N 2 1 406.574 3.986 20 0 HHADMP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501534269 1004497755 /nfs/dbraw/zinc/49/77/55/1004497755.db2.gz CTXOECNLZOABMX-VQTJNVASSA-N 2 1 406.574 3.986 20 0 HHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000512701844 1004505126 /nfs/dbraw/zinc/50/51/26/1004505126.db2.gz WDUNRQPTXIWNIT-FGZHOGPDSA-N 2 1 408.590 3.651 20 0 HHADMP CC[NH+]1CCN(c2ccc(C(=O)NCc3ccccc3C[N@@H+](C)C(C)C)cc2)CC1 ZINC000510383914 1004525396 /nfs/dbraw/zinc/52/53/96/1004525396.db2.gz HRFGEYCNTSYNPA-UHFFFAOYSA-N 2 1 408.590 3.599 20 0 HHADMP FC(F)OC[C@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@H](COC(F)F)C3)c2)C1 ZINC000512831312 1004589342 /nfs/dbraw/zinc/58/93/42/1004589342.db2.gz BXSXFZAZCTUVHN-ROUUACIJSA-N 2 1 404.448 3.809 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1ccccc1Cl ZINC000501707855 1004627282 /nfs/dbraw/zinc/62/72/82/1004627282.db2.gz JIVUELKYCCOLKO-JOCHJYFZSA-N 2 1 414.981 3.690 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NCCC[N@H+]1CCc2ccccc2C1)c1ccccc1Cl ZINC000501707855 1004627284 /nfs/dbraw/zinc/62/72/84/1004627284.db2.gz JIVUELKYCCOLKO-JOCHJYFZSA-N 2 1 414.981 3.690 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1F ZINC000510561580 1004705461 /nfs/dbraw/zinc/70/54/61/1004705461.db2.gz NROSYSOVAFMHFZ-VQIMIIECSA-N 2 1 413.541 3.772 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1F ZINC000510561580 1004705465 /nfs/dbraw/zinc/70/54/65/1004705465.db2.gz NROSYSOVAFMHFZ-VQIMIIECSA-N 2 1 413.541 3.772 20 0 HHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000510570078 1004714780 /nfs/dbraw/zinc/71/47/80/1004714780.db2.gz FAYSNUYXEZGBBC-DENIHFKCSA-N 2 1 400.611 3.981 20 0 HHADMP C[C@@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510580456 1004727826 /nfs/dbraw/zinc/72/78/26/1004727826.db2.gz OJGZWJWLIXVRFJ-NFBKMPQASA-N 2 1 412.622 3.851 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000501809164 1004749903 /nfs/dbraw/zinc/74/99/03/1004749903.db2.gz HUXPHGWBCCUSOH-VWLOTQADSA-N 2 1 405.586 3.783 20 0 HHADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000501813507 1004752751 /nfs/dbraw/zinc/75/27/51/1004752751.db2.gz BVISYQLQURQMFF-OAQYLSRUSA-N 2 1 421.651 3.654 20 0 HHADMP C[C@@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000501830770 1004763760 /nfs/dbraw/zinc/76/37/60/1004763760.db2.gz ODIWQABZLMIRAX-RXVVDRJESA-N 2 1 412.603 3.631 20 0 HHADMP C[C@@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000501830770 1004763765 /nfs/dbraw/zinc/76/37/65/1004763765.db2.gz ODIWQABZLMIRAX-RXVVDRJESA-N 2 1 412.603 3.631 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000513047998 1004777783 /nfs/dbraw/zinc/77/77/83/1004777783.db2.gz WSRSOOYWCQEGLK-YNJKOYDBSA-N 2 1 411.565 3.842 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000513047998 1004777791 /nfs/dbraw/zinc/77/77/91/1004777791.db2.gz WSRSOOYWCQEGLK-YNJKOYDBSA-N 2 1 411.565 3.842 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)c1 ZINC000501885265 1004795629 /nfs/dbraw/zinc/79/56/29/1004795629.db2.gz FUDVOTNFPZWBGO-UHFFFAOYSA-N 2 1 408.590 3.599 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2ccc(Br)cc2Cl)CC1 ZINC000501939546 1004819872 /nfs/dbraw/zinc/81/98/72/1004819872.db2.gz TVNWSDNRURQTEA-UHFFFAOYSA-N 2 1 402.808 3.950 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC[C@H]3CCC[NH+]3Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000513234642 1004874104 /nfs/dbraw/zinc/87/41/04/1004874104.db2.gz ZUYJQEUFYOUOOO-TYBLODHISA-N 2 1 421.585 3.690 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC[C@H]3CCC[NH+]3Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000513234642 1004874109 /nfs/dbraw/zinc/87/41/09/1004874109.db2.gz ZUYJQEUFYOUOOO-TYBLODHISA-N 2 1 421.585 3.690 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@H]3CCC[N@@H+]3Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000513234642 1004874115 /nfs/dbraw/zinc/87/41/15/1004874115.db2.gz ZUYJQEUFYOUOOO-TYBLODHISA-N 2 1 421.585 3.690 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@H]3CCC[N@H+]3Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000513234642 1004874121 /nfs/dbraw/zinc/87/41/21/1004874121.db2.gz ZUYJQEUFYOUOOO-TYBLODHISA-N 2 1 421.585 3.690 20 0 HHADMP C[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000510822134 1004874561 /nfs/dbraw/zinc/87/45/61/1004874561.db2.gz SQRSJJZKABCRIT-HSZRJFAPSA-N 2 1 408.590 3.848 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCO[C@@H](c3cccc(OC)c3)C2)CC1 ZINC000513438926 1004966640 /nfs/dbraw/zinc/96/66/40/1004966640.db2.gz MLWJETHAMHYXLX-RUZDIDTESA-N 2 1 409.574 3.801 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCO[C@@H](c3cccc(OC)c3)C2)CC1 ZINC000513438926 1004966648 /nfs/dbraw/zinc/96/66/48/1004966648.db2.gz MLWJETHAMHYXLX-RUZDIDTESA-N 2 1 409.574 3.801 20 0 HHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000513449681 1004972110 /nfs/dbraw/zinc/97/21/10/1004972110.db2.gz ZKBQZKNQHFGMKK-UTKZUKDTSA-N 2 1 401.348 3.793 20 0 HHADMP O=C(Nc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000510999728 1004973737 /nfs/dbraw/zinc/97/37/37/1004973737.db2.gz NQGVUDIIEFOPFZ-AYVPJYCDSA-N 2 1 404.558 3.793 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(C(=O)Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000511017792 1004981540 /nfs/dbraw/zinc/98/15/40/1004981540.db2.gz SBAYQUFRSPVJFF-ZODMCCGTSA-N 2 1 405.586 3.863 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(C(=O)Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000511017792 1004981546 /nfs/dbraw/zinc/98/15/46/1004981546.db2.gz SBAYQUFRSPVJFF-ZODMCCGTSA-N 2 1 405.586 3.863 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CCCC23CCOCC3)c1)C1CCOCC1 ZINC000502276962 1004989877 /nfs/dbraw/zinc/98/98/77/1004989877.db2.gz RPESCAUMAXXEFA-HSZRJFAPSA-N 2 1 402.579 3.615 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000511073025 1005007286 /nfs/dbraw/zinc/00/72/86/1005007286.db2.gz ICEZQQUMZHVDPC-QHCPKHFHSA-N 2 1 413.512 3.710 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000511073025 1005007288 /nfs/dbraw/zinc/00/72/88/1005007288.db2.gz ICEZQQUMZHVDPC-QHCPKHFHSA-N 2 1 413.512 3.710 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(C)c(OC(F)F)c(C)c3)CC2)CC1 ZINC000513696921 1005086036 /nfs/dbraw/zinc/08/60/36/1005086036.db2.gz GXRHVVMTFMEELN-UHFFFAOYSA-N 2 1 423.548 3.671 20 0 HHADMP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511252661 1005092747 /nfs/dbraw/zinc/09/27/47/1005092747.db2.gz YKKNWQLILJADMG-RTBURBONSA-N 2 1 404.574 3.552 20 0 HHADMP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000511253639 1005093515 /nfs/dbraw/zinc/09/35/15/1005093515.db2.gz WPGGXNAQJDFYEK-UXHICEINSA-N 2 1 413.610 3.603 20 0 HHADMP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511266316 1005098263 /nfs/dbraw/zinc/09/82/63/1005098263.db2.gz DEQCDJNKJXRVJH-PKOBYXMFSA-N 2 1 422.564 3.691 20 0 HHADMP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511267517 1005098444 /nfs/dbraw/zinc/09/84/44/1005098444.db2.gz IWNNZVORNUTGHO-AZUAARDMSA-N 2 1 404.574 3.552 20 0 HHADMP C[C@@H](NC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)C1=CC[N@@H+](C)CC1 ZINC000511291875 1005110830 /nfs/dbraw/zinc/11/08/30/1005110830.db2.gz WJNPJAUHEFZHFI-QGZVFWFLSA-N 2 1 404.986 3.502 20 0 HHADMP C[C@@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511295578 1005112688 /nfs/dbraw/zinc/11/26/88/1005112688.db2.gz VJVWGCQWQIPVME-RKONGDRVSA-N 2 1 412.622 3.849 20 0 HHADMP C[C@@H](NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511295578 1005112692 /nfs/dbraw/zinc/11/26/92/1005112692.db2.gz VJVWGCQWQIPVME-RKONGDRVSA-N 2 1 412.622 3.849 20 0 HHADMP C[C@@H](NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511295578 1005112697 /nfs/dbraw/zinc/11/26/97/1005112697.db2.gz VJVWGCQWQIPVME-RKONGDRVSA-N 2 1 412.622 3.849 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511410685 1005164316 /nfs/dbraw/zinc/16/43/16/1005164316.db2.gz PBJGSIAJAKGQQQ-IRMYBRCSSA-N 2 1 412.622 3.992 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511410685 1005164319 /nfs/dbraw/zinc/16/43/19/1005164319.db2.gz PBJGSIAJAKGQQQ-IRMYBRCSSA-N 2 1 412.622 3.992 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511410685 1005164322 /nfs/dbraw/zinc/16/43/22/1005164322.db2.gz PBJGSIAJAKGQQQ-IRMYBRCSSA-N 2 1 412.622 3.992 20 0 HHADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000511505719 1005204211 /nfs/dbraw/zinc/20/42/11/1005204211.db2.gz FCLFKLVIRXNGPQ-RTWAWAEBSA-N 2 1 405.533 3.621 20 0 HHADMP C[C@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000502845004 1005241343 /nfs/dbraw/zinc/24/13/43/1005241343.db2.gz NKXIQGIPWLEPII-UXHICEINSA-N 2 1 408.590 3.862 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1 ZINC000502847631 1005242908 /nfs/dbraw/zinc/24/29/08/1005242908.db2.gz UAKCRTWUFMQCRQ-HXUWFJFHSA-N 2 1 400.611 3.777 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000502847631 1005242911 /nfs/dbraw/zinc/24/29/11/1005242911.db2.gz UAKCRTWUFMQCRQ-HXUWFJFHSA-N 2 1 400.611 3.777 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000502847631 1005242914 /nfs/dbraw/zinc/24/29/14/1005242914.db2.gz UAKCRTWUFMQCRQ-HXUWFJFHSA-N 2 1 400.611 3.777 20 0 HHADMP COc1cccc([C@@H](CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)[NH+]2CCCC2)c1 ZINC000502876859 1005254750 /nfs/dbraw/zinc/25/47/50/1005254750.db2.gz OUXAFMGAYVMMRK-NFBKMPQASA-N 2 1 416.610 3.643 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCCC[NH+]2CCC(C)CC2)cc1F ZINC000514138225 1005284802 /nfs/dbraw/zinc/28/48/02/1005284802.db2.gz MITBVEKELMAAMD-UHFFFAOYSA-N 2 1 401.530 3.631 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000502952450 1005290384 /nfs/dbraw/zinc/29/03/84/1005290384.db2.gz SRQPBJIXPCCVHF-NRFANRHFSA-N 2 1 400.611 3.805 20 0 HHADMP Cc1ccc([C@H](CNC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)[NH+](C)C)cc1 ZINC000514168108 1005296716 /nfs/dbraw/zinc/29/67/16/1005296716.db2.gz UXKBSYVMXPJEQT-LEWJYISDSA-N 2 1 402.970 3.853 20 0 HHADMP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1N1CCCC1 ZINC000514235374 1005325650 /nfs/dbraw/zinc/32/56/50/1005325650.db2.gz BCPRJJIPJNAXBQ-UHFFFAOYSA-N 2 1 420.601 3.631 20 0 HHADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1N1CCCC1 ZINC000514235374 1005325658 /nfs/dbraw/zinc/32/56/58/1005325658.db2.gz BCPRJJIPJNAXBQ-UHFFFAOYSA-N 2 1 420.601 3.631 20 0 HHADMP C[N@@H+](CCCNC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)C1CCCCC1 ZINC000514242041 1005329151 /nfs/dbraw/zinc/32/91/51/1005329151.db2.gz PMTDURPTRSNESW-LJQANCHMSA-N 2 1 406.640 3.914 20 0 HHADMP C[NH+](CCCNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CCCCC1 ZINC000514242041 1005329153 /nfs/dbraw/zinc/32/91/53/1005329153.db2.gz PMTDURPTRSNESW-LJQANCHMSA-N 2 1 406.640 3.914 20 0 HHADMP C[NH+](CCCNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CCCCC1 ZINC000514242041 1005329157 /nfs/dbraw/zinc/32/91/57/1005329157.db2.gz PMTDURPTRSNESW-LJQANCHMSA-N 2 1 406.640 3.914 20 0 HHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000503069569 1005336226 /nfs/dbraw/zinc/33/62/26/1005336226.db2.gz SCCOIYMGZKODHZ-QHAWAJNXSA-N 2 1 400.611 3.659 20 0 HHADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000503392760 1005406375 /nfs/dbraw/zinc/40/63/75/1005406375.db2.gz QDSIGBJIVQMLKK-JOCHJYFZSA-N 2 1 412.622 3.732 20 0 HHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccccn2)cc1 ZINC000504435132 1005628222 /nfs/dbraw/zinc/62/82/22/1005628222.db2.gz HKUJTAUFHPWOHB-OAQYLSRUSA-N 2 1 423.605 3.729 20 0 HHADMP Cc1ccc2c(CC(=O)N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)coc2c1 ZINC000531188151 1006034831 /nfs/dbraw/zinc/03/48/31/1006034831.db2.gz PYNXDSVRYOOGII-UHFFFAOYSA-N 2 1 411.590 3.938 20 0 HHADMP O=C(C[N@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000534151239 1006129695 /nfs/dbraw/zinc/12/96/95/1006129695.db2.gz NFIAPWKOIHWVBX-VWLOTQADSA-N 2 1 403.570 3.572 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C[C@@H]1C ZINC000531376025 1006159980 /nfs/dbraw/zinc/15/99/80/1006159980.db2.gz PFQSORWQZTWQML-WFXMLNOXSA-N 2 1 407.002 3.991 20 0 HHADMP Cc1cc(N2CCC([NH2+]Cc3csc(-c4ccc5c(c4)OCO5)n3)CC2)nc(C)[nH+]1 ZINC000531402537 1006175084 /nfs/dbraw/zinc/17/50/84/1006175084.db2.gz LHCGUTYVMIBJLN-UHFFFAOYSA-N 2 1 423.542 3.704 20 0 HHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534205376 1006197604 /nfs/dbraw/zinc/19/76/04/1006197604.db2.gz ZUDMVVLGTMHECQ-OXFYSEKESA-N 2 1 410.965 3.501 20 0 HHADMP CC(C)[NH+]1CC[C@H](CNC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534205376 1006197609 /nfs/dbraw/zinc/19/76/09/1006197609.db2.gz ZUDMVVLGTMHECQ-OXFYSEKESA-N 2 1 410.965 3.501 20 0 HHADMP CC(C)[NH+]1CC[C@H](CNC(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534205376 1006197614 /nfs/dbraw/zinc/19/76/14/1006197614.db2.gz ZUDMVVLGTMHECQ-OXFYSEKESA-N 2 1 410.965 3.501 20 0 HHADMP CC[C@H](CNC(=O)C1CCN(c2cc[nH+]cc2C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000531446251 1006202111 /nfs/dbraw/zinc/20/21/11/1006202111.db2.gz DMWDRDOMEBCVLS-HSZRJFAPSA-N 2 1 406.574 3.560 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000531453774 1006206864 /nfs/dbraw/zinc/20/68/64/1006206864.db2.gz GNYHHGNMQSTJFU-REWPJTCUSA-N 2 1 406.574 3.776 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000534238602 1006244636 /nfs/dbraw/zinc/24/46/36/1006244636.db2.gz LAJUDGRPZPAOFG-IBGZPJMESA-N 2 1 412.553 3.693 20 0 HHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000515088211 1006280828 /nfs/dbraw/zinc/28/08/28/1006280828.db2.gz XYQUAIXMPZNHOM-LJQANCHMSA-N 2 1 414.619 3.780 20 0 HHADMP COc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)N2CCOCC2)cc1 ZINC000531692496 1006357978 /nfs/dbraw/zinc/35/79/78/1006357978.db2.gz CNFNVYWOXWFFEJ-UQBPGWFLSA-N 2 1 420.557 3.913 20 0 HHADMP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000531696778 1006360372 /nfs/dbraw/zinc/36/03/72/1006360372.db2.gz AJGMAICBZKHTRF-ZDUSSCGKSA-N 2 1 421.891 3.512 20 0 HHADMP CC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccc1OCC(=O)N1CCCC1 ZINC000531699866 1006363247 /nfs/dbraw/zinc/36/32/47/1006363247.db2.gz OZDRSWPPEJNLGP-OAQYLSRUSA-N 2 1 401.595 3.991 20 0 HHADMP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000531703907 1006366685 /nfs/dbraw/zinc/36/66/85/1006366685.db2.gz JMLOIMXVBCKKHL-INIZCTEOSA-N 2 1 413.484 3.657 20 0 HHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)cs1 ZINC000531715794 1006374692 /nfs/dbraw/zinc/37/46/92/1006374692.db2.gz GOFGEQXWRRWCIH-INIZCTEOSA-N 2 1 421.632 3.672 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000515291714 1006381198 /nfs/dbraw/zinc/38/11/98/1006381198.db2.gz HZZBHWGRFJEMRG-GHTZIAJQSA-N 2 1 400.954 3.516 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000515291714 1006381210 /nfs/dbraw/zinc/38/12/10/1006381210.db2.gz HZZBHWGRFJEMRG-GHTZIAJQSA-N 2 1 400.954 3.516 20 0 HHADMP C[NH+]1CCC([C@H]2CCN(C(=O)[C@]3(C(F)(F)F)CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000534408910 1006384395 /nfs/dbraw/zinc/38/43/95/1006384395.db2.gz FBBHZMWNRFFNTQ-UNMCSNQZSA-N 2 1 423.523 3.631 20 0 HHADMP Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)n1 ZINC000531733540 1006387334 /nfs/dbraw/zinc/38/73/34/1006387334.db2.gz HUSIMHWAHCBQBO-DEOSSOPVSA-N 2 1 406.574 3.570 20 0 HHADMP Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)n1 ZINC000531733540 1006387345 /nfs/dbraw/zinc/38/73/45/1006387345.db2.gz HUSIMHWAHCBQBO-DEOSSOPVSA-N 2 1 406.574 3.570 20 0 HHADMP Cc1cccc([C@@H]2CCC[NH+]2CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)n1 ZINC000531733540 1006387357 /nfs/dbraw/zinc/38/73/57/1006387357.db2.gz HUSIMHWAHCBQBO-DEOSSOPVSA-N 2 1 406.574 3.570 20 0 HHADMP Cc1cccc([C@@H]2CCC[NH+]2CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)n1 ZINC000531733540 1006387369 /nfs/dbraw/zinc/38/73/69/1006387369.db2.gz HUSIMHWAHCBQBO-DEOSSOPVSA-N 2 1 406.574 3.570 20 0 HHADMP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000531735351 1006388664 /nfs/dbraw/zinc/38/86/64/1006388664.db2.gz FOSGAXYUYUSJON-KCESLBEFSA-N 2 1 400.588 3.897 20 0 HHADMP CN(c1ccccc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000531848157 1006468968 /nfs/dbraw/zinc/46/89/68/1006468968.db2.gz JQFGFTHNOCTXDZ-XMMPIXPASA-N 3 1 420.645 3.871 20 0 HHADMP CN(c1ccccc1CNC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000531848157 1006468979 /nfs/dbraw/zinc/46/89/79/1006468979.db2.gz JQFGFTHNOCTXDZ-XMMPIXPASA-N 2 1 420.645 3.871 20 0 HHADMP CN(c1ccccc1CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000531848157 1006468986 /nfs/dbraw/zinc/46/89/86/1006468986.db2.gz JQFGFTHNOCTXDZ-XMMPIXPASA-N 2 1 420.645 3.871 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000515518339 1006509818 /nfs/dbraw/zinc/50/98/18/1006509818.db2.gz AKXIUYMTGDIJCY-QZTJIDSGSA-N 2 1 409.530 3.764 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000534683484 1006663715 /nfs/dbraw/zinc/66/37/15/1006663715.db2.gz VJOYCUNBAZSISJ-QLBJFCOMSA-N 2 1 420.601 3.985 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000534683484 1006663719 /nfs/dbraw/zinc/66/37/19/1006663719.db2.gz VJOYCUNBAZSISJ-QLBJFCOMSA-N 2 1 420.601 3.985 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000534683484 1006663721 /nfs/dbraw/zinc/66/37/21/1006663721.db2.gz VJOYCUNBAZSISJ-QLBJFCOMSA-N 2 1 420.601 3.985 20 0 HHADMP C[NH+]1CCN(c2ncc(C[NH2+]CC(C)(C)c3c(Cl)cccc3Cl)cn2)CC1 ZINC000532139579 1006666751 /nfs/dbraw/zinc/66/67/51/1006666751.db2.gz DZPRSPMPWZTOPH-UHFFFAOYSA-N 2 1 408.377 3.603 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N(C)CCC[NH+]3CCCC3)cc2)C1 ZINC000538404680 1006672777 /nfs/dbraw/zinc/67/27/77/1006672777.db2.gz NEOTYJFDIAAFGJ-OYRHEFFESA-N 2 1 400.611 3.792 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2c(C)nc3sc(C)nn23)CC1 ZINC000538409960 1006677308 /nfs/dbraw/zinc/67/73/08/1006677308.db2.gz HNDSFBYHSXXNIW-AWEZNQCLSA-N 2 1 416.570 3.539 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)CC1 ZINC000532183868 1006703411 /nfs/dbraw/zinc/70/34/11/1006703411.db2.gz UGBFYTOOXIBSIW-URXFXBBRSA-N 2 1 412.622 3.797 20 0 HHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000532183868 1006703421 /nfs/dbraw/zinc/70/34/21/1006703421.db2.gz UGBFYTOOXIBSIW-URXFXBBRSA-N 2 1 412.622 3.797 20 0 HHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000532183868 1006703427 /nfs/dbraw/zinc/70/34/27/1006703427.db2.gz UGBFYTOOXIBSIW-URXFXBBRSA-N 2 1 412.622 3.797 20 0 HHADMP COc1ccc([C@H](C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)N2CCOCC2)cc1 ZINC000532204139 1006718700 /nfs/dbraw/zinc/71/87/00/1006718700.db2.gz IGFJAAKJLASGDX-AMDXRBSFSA-N 2 1 415.622 3.701 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)c1cccs1 ZINC000534789542 1006790956 /nfs/dbraw/zinc/79/09/56/1006790956.db2.gz OCRQWPNARMCBHE-SCTDSRPQSA-N 2 1 406.983 3.749 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)c1cccs1 ZINC000534789542 1006790963 /nfs/dbraw/zinc/79/09/63/1006790963.db2.gz OCRQWPNARMCBHE-SCTDSRPQSA-N 2 1 406.983 3.749 20 0 HHADMP C[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000534827194 1006838639 /nfs/dbraw/zinc/83/86/39/1006838639.db2.gz FKWPRPCNLADGPQ-SFTDATJTSA-N 2 1 400.954 3.646 20 0 HHADMP C[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000534827194 1006838653 /nfs/dbraw/zinc/83/86/53/1006838653.db2.gz FKWPRPCNLADGPQ-SFTDATJTSA-N 2 1 400.954 3.646 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000538590759 1006858281 /nfs/dbraw/zinc/85/82/81/1006858281.db2.gz RVYHPXMLOFMHDP-RDPSFJRHSA-N 2 1 407.606 3.935 20 0 HHADMP c1ccc(N2CC[NH+](Cc3ccccc3C[NH2+]C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000532447360 1006890015 /nfs/dbraw/zinc/89/00/15/1006890015.db2.gz GSEVERFGPJJUIX-UHFFFAOYSA-N 3 1 418.629 3.973 20 0 HHADMP C[C@H](Nc1cccc2cc[nH+]cc21)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000538628130 1006898984 /nfs/dbraw/zinc/89/89/84/1006898984.db2.gz PRCBJDWTPZEPKV-KRWDZBQOSA-N 2 1 412.559 3.638 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538663094 1006938985 /nfs/dbraw/zinc/93/89/85/1006938985.db2.gz QXNCSYROSDXDLC-DZFGPLHGSA-N 2 1 422.976 3.881 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538663094 1006938994 /nfs/dbraw/zinc/93/89/94/1006938994.db2.gz QXNCSYROSDXDLC-DZFGPLHGSA-N 2 1 422.976 3.881 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538663094 1006939001 /nfs/dbraw/zinc/93/90/01/1006939001.db2.gz QXNCSYROSDXDLC-DZFGPLHGSA-N 2 1 422.976 3.881 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538663094 1006939012 /nfs/dbraw/zinc/93/90/12/1006939012.db2.gz QXNCSYROSDXDLC-DZFGPLHGSA-N 2 1 422.976 3.881 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(Br)cc2Cl)CC1 ZINC000516207980 1006945731 /nfs/dbraw/zinc/94/57/31/1006945731.db2.gz PFGGXUKMWNCMLF-UHFFFAOYSA-N 2 1 409.715 3.502 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000532521063 1006959374 /nfs/dbraw/zinc/95/93/74/1006959374.db2.gz VKUWUCQOLJOPEH-IRXDYDNUSA-N 2 1 412.559 3.843 20 0 HHADMP Cc1[nH+]ccn1CCSc1nc2ccccc2c(=O)n1CC[NH+](C(C)C)C(C)C ZINC000534948997 1006991292 /nfs/dbraw/zinc/99/12/92/1006991292.db2.gz MKCHFRNRGMNGDI-UHFFFAOYSA-N 2 1 413.591 3.813 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000532579059 1007013733 /nfs/dbraw/zinc/01/37/33/1007013733.db2.gz FWTAIZFKAKRJGQ-ZJSXRUAMSA-N 2 1 405.586 3.720 20 0 HHADMP COc1ccccc1[C@H]1CC[N@@H+](CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C1 ZINC000532579398 1007014627 /nfs/dbraw/zinc/01/46/27/1007014627.db2.gz STYIRJDZOLWUSN-QHCPKHFHSA-N 2 1 421.585 3.527 20 0 HHADMP COc1ccccc1[C@H]1CC[NH+](CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)C1 ZINC000532579398 1007014633 /nfs/dbraw/zinc/01/46/33/1007014633.db2.gz STYIRJDZOLWUSN-QHCPKHFHSA-N 2 1 421.585 3.527 20 0 HHADMP COc1ccccc1[C@H]1CC[NH+](CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)C1 ZINC000532579398 1007014657 /nfs/dbraw/zinc/01/46/57/1007014657.db2.gz STYIRJDZOLWUSN-QHCPKHFHSA-N 2 1 421.585 3.527 20 0 HHADMP CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534971354 1007027011 /nfs/dbraw/zinc/02/70/11/1007027011.db2.gz NEQBLDXFNHGDFQ-JXFKEZNVSA-N 2 1 410.965 3.644 20 0 HHADMP Cc1nc(N2CC[NH+](Cc3ccccc3N(C)C3CC[NH+](C)CC3)CC2)sc1C ZINC000538752445 1007038231 /nfs/dbraw/zinc/03/82/31/1007038231.db2.gz KYZYBYKFGURELD-UHFFFAOYSA-N 2 1 413.635 3.613 20 0 HHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc4ccccc4nc3N3CCCCC3)C2)CC1 ZINC000538762959 1007046996 /nfs/dbraw/zinc/04/69/96/1007046996.db2.gz VJPBBIQCQMMOLH-DEOSSOPVSA-N 2 1 421.633 3.825 20 0 HHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000532628901 1007050969 /nfs/dbraw/zinc/05/09/69/1007050969.db2.gz QXZAOJQIQHQASM-BJKOFHAPSA-N 2 1 408.590 3.693 20 0 HHADMP C[C@@H]1CCC[C@H](OCCCCCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1 ZINC000535036858 1007075835 /nfs/dbraw/zinc/07/58/35/1007075835.db2.gz CHUQUESBRBYDJB-UXHICEINSA-N 2 1 402.583 3.928 20 0 HHADMP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000538837913 1007109465 /nfs/dbraw/zinc/10/94/65/1007109465.db2.gz NVCHYKUKGNYNJI-RUZDIDTESA-N 2 1 421.585 3.852 20 0 HHADMP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538943476 1007227627 /nfs/dbraw/zinc/22/76/27/1007227627.db2.gz MZVZSPJDPMSEPV-MRXNPFEDSA-N 2 1 402.489 3.925 20 0 HHADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000539020177 1007317816 /nfs/dbraw/zinc/31/78/16/1007317816.db2.gz FNYSWMAGCZGGJQ-WMZHIEFXSA-N 2 1 419.635 3.604 20 0 HHADMP C[C@H](Cn1cc(Br)cn1)[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000539042750 1007339666 /nfs/dbraw/zinc/33/96/66/1007339666.db2.gz JLOZDTDXJCONSF-ZHALLVOQSA-N 2 1 405.384 3.924 20 0 HHADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000535302027 1007352990 /nfs/dbraw/zinc/35/29/90/1007352990.db2.gz KBUGDFQRFMZHPP-JOCHJYFZSA-N 2 1 410.587 3.586 20 0 HHADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000535302027 1007352999 /nfs/dbraw/zinc/35/29/99/1007352999.db2.gz KBUGDFQRFMZHPP-JOCHJYFZSA-N 2 1 410.587 3.586 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000539104207 1007391677 /nfs/dbraw/zinc/39/16/77/1007391677.db2.gz BKKVMHULDYSQDY-MRXNPFEDSA-N 2 1 405.384 3.844 20 0 HHADMP C[C@@H]1CCC[C@](CNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)([NH+](C)C)C1 ZINC000517089098 1007401367 /nfs/dbraw/zinc/40/13/67/1007401367.db2.gz FSMTWROGNFCKLG-FIXDAVPBSA-N 2 1 401.595 3.536 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000533048076 1007410057 /nfs/dbraw/zinc/41/00/57/1007410057.db2.gz QUDKACVFSGZSQX-RDPSFJRHSA-N 2 1 406.574 3.778 20 0 HHADMP Cc1cc(C)cc(OCCC[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000539145079 1007441352 /nfs/dbraw/zinc/44/13/52/1007441352.db2.gz BFTAJXCTSKYXNX-VXKWHMMOSA-N 2 1 404.595 3.663 20 0 HHADMP Cc1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000533101272 1007455363 /nfs/dbraw/zinc/45/53/63/1007455363.db2.gz KYBZWTZDCWNMOX-UHFFFAOYSA-N 2 1 422.920 3.505 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000539161760 1007461784 /nfs/dbraw/zinc/46/17/84/1007461784.db2.gz PRVIYOPJXRASHV-CEXWTWQISA-N 2 1 415.603 3.663 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000539161762 1007461805 /nfs/dbraw/zinc/46/18/05/1007461805.db2.gz PRVIYOPJXRASHV-OTWHNJEPSA-N 2 1 415.603 3.663 20 0 HHADMP CC[NH+]1CCC(CNC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)CC1 ZINC000517248007 1007514232 /nfs/dbraw/zinc/51/42/32/1007514232.db2.gz LIMVCOLFTGCICX-UHFFFAOYSA-N 2 1 418.585 3.816 20 0 HHADMP CC[C@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)c1ccc(OC)cc1 ZINC000539244470 1007538771 /nfs/dbraw/zinc/53/87/71/1007538771.db2.gz UGIJXBSIZDQETO-DEOSSOPVSA-N 2 1 409.574 3.779 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000517332436 1007573145 /nfs/dbraw/zinc/57/31/45/1007573145.db2.gz IRFGCYMSXRSMFL-TXTKFYIRSA-N 2 1 412.622 3.981 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000533265369 1007582244 /nfs/dbraw/zinc/58/22/44/1007582244.db2.gz ZTLJSXXBXBKKGV-OYRHEFFESA-N 2 1 408.590 3.659 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC(=O)Nc2ccc(F)cc2F)CC1 ZINC000539310199 1007608163 /nfs/dbraw/zinc/60/81/63/1007608163.db2.gz MQJPCVDOJSBVQB-OAHLLOKOSA-N 2 1 420.479 3.535 20 0 HHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)c2cccs2)CC1 ZINC000517524763 1007743291 /nfs/dbraw/zinc/74/32/91/1007743291.db2.gz JDGJITRRDKLCTR-HXUWFJFHSA-N 2 1 415.994 3.666 20 0 HHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)C2)CC1 ZINC000533445570 1007760838 /nfs/dbraw/zinc/76/08/38/1007760838.db2.gz ODWMMCLSFJELMY-GMAHTHKFSA-N 2 1 420.601 3.781 20 0 HHADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)C2)CC1 ZINC000533445570 1007760854 /nfs/dbraw/zinc/76/08/54/1007760854.db2.gz ODWMMCLSFJELMY-GMAHTHKFSA-N 2 1 420.601 3.781 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000517566872 1007774703 /nfs/dbraw/zinc/77/47/03/1007774703.db2.gz USSMMQSYVPARDF-HSALFYBXSA-N 2 1 411.594 3.805 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000517566872 1007774714 /nfs/dbraw/zinc/77/47/14/1007774714.db2.gz USSMMQSYVPARDF-HSALFYBXSA-N 2 1 411.594 3.805 20 0 HHADMP COc1cccc2cc([C@@H](C)[NH2+]Cc3cccc(C[N@H+]4CCC[C@H](C(N)=O)C4)c3)oc21 ZINC000539496377 1007807035 /nfs/dbraw/zinc/80/70/35/1007807035.db2.gz HUTCUOPAZANEGF-UTKZUKDTSA-N 2 1 421.541 3.990 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000535809209 1007820185 /nfs/dbraw/zinc/82/01/85/1007820185.db2.gz LJXUAWLABZONKU-XPWALMASSA-N 2 1 410.606 3.912 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000535809209 1007820194 /nfs/dbraw/zinc/82/01/94/1007820194.db2.gz LJXUAWLABZONKU-XPWALMASSA-N 2 1 410.606 3.912 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)CC1 ZINC000517651090 1007864225 /nfs/dbraw/zinc/86/42/25/1007864225.db2.gz SPCUJQUBNJETFW-HZPDHXFCSA-N 2 1 404.436 3.594 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000517653463 1007865835 /nfs/dbraw/zinc/86/58/35/1007865835.db2.gz UYLAGFOJBAEKGY-LADGPHEKSA-N 2 1 420.601 3.541 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000539651687 1007969727 /nfs/dbraw/zinc/96/97/27/1007969727.db2.gz RKSCIKTVOJFUOR-CPJSRVTESA-N 2 1 408.590 3.608 20 0 HHADMP CN(C(=O)NCc1cc2ccccc2o1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000533665973 1007981143 /nfs/dbraw/zinc/98/11/43/1007981143.db2.gz XDDPMRYMWHRTES-FGZHOGPDSA-N 2 1 412.578 3.911 20 0 HHADMP O=C(CC[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000517830205 1008000087 /nfs/dbraw/zinc/00/00/87/1008000087.db2.gz ODLZXXGGKAEGNK-UHFFFAOYSA-N 2 1 421.463 3.656 20 0 HHADMP O=C1[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000539682379 1008001456 /nfs/dbraw/zinc/00/14/56/1008001456.db2.gz NECHGMIXUOVNDA-FQEVSTJZSA-N 2 1 409.496 3.660 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NCC2=CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539766523 1008082543 /nfs/dbraw/zinc/08/25/43/1008082543.db2.gz PSLBIGPNQYCQDZ-PMACEKPBSA-N 2 1 408.949 3.564 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NCC2=CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539766523 1008082556 /nfs/dbraw/zinc/08/25/56/1008082556.db2.gz PSLBIGPNQYCQDZ-PMACEKPBSA-N 2 1 408.949 3.564 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)NCC2=CC[N@H+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539766523 1008082565 /nfs/dbraw/zinc/08/25/65/1008082565.db2.gz PSLBIGPNQYCQDZ-PMACEKPBSA-N 2 1 408.949 3.564 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)NCC2=CC[N@@H+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539766523 1008082571 /nfs/dbraw/zinc/08/25/71/1008082571.db2.gz PSLBIGPNQYCQDZ-PMACEKPBSA-N 2 1 408.949 3.564 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539767375 1008084927 /nfs/dbraw/zinc/08/49/27/1008084927.db2.gz VURMFRXASBVMGB-JRGCBEDISA-N 2 1 422.976 3.883 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539767375 1008084934 /nfs/dbraw/zinc/08/49/34/1008084934.db2.gz VURMFRXASBVMGB-JRGCBEDISA-N 2 1 422.976 3.883 20 0 HHADMP COc1ccc([C@@H](CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)[NH+]2CCCCC2)cc1 ZINC000518016670 1008105862 /nfs/dbraw/zinc/10/58/62/1008105862.db2.gz OEKRJUQMMSRXAF-NZQKXSOJSA-N 2 1 414.594 3.538 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000539810858 1008109218 /nfs/dbraw/zinc/10/92/18/1008109218.db2.gz GKURABPMEJEBAA-MAODMQOUSA-N 2 1 408.537 3.518 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000539810858 1008109224 /nfs/dbraw/zinc/10/92/24/1008109224.db2.gz GKURABPMEJEBAA-MAODMQOUSA-N 2 1 408.537 3.518 20 0 HHADMP CC(C)[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000539810858 1008109227 /nfs/dbraw/zinc/10/92/27/1008109227.db2.gz GKURABPMEJEBAA-MAODMQOUSA-N 2 1 408.537 3.518 20 0 HHADMP CC(C)[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000539810858 1008109234 /nfs/dbraw/zinc/10/92/34/1008109234.db2.gz GKURABPMEJEBAA-MAODMQOUSA-N 2 1 408.537 3.518 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000536095648 1008118437 /nfs/dbraw/zinc/11/84/37/1008118437.db2.gz MWWPXYXJIVUHCX-DNQXCXABSA-N 2 1 406.574 3.704 20 0 HHADMP CCOc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1OCC(C)C ZINC000539825196 1008119906 /nfs/dbraw/zinc/11/99/06/1008119906.db2.gz NTAVMYWKJWRSPA-IRLDBZIGSA-N 2 1 403.611 3.578 20 0 HHADMP CCOc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1OCC(C)C ZINC000539825196 1008119911 /nfs/dbraw/zinc/11/99/11/1008119911.db2.gz NTAVMYWKJWRSPA-IRLDBZIGSA-N 2 1 403.611 3.578 20 0 HHADMP C[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539827968 1008121706 /nfs/dbraw/zinc/12/17/06/1008121706.db2.gz WCDIJFNXFJJNTQ-LJQANCHMSA-N 2 1 404.514 3.759 20 0 HHADMP C[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539827968 1008121714 /nfs/dbraw/zinc/12/17/14/1008121714.db2.gz WCDIJFNXFJJNTQ-LJQANCHMSA-N 2 1 404.514 3.759 20 0 HHADMP C[NH+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539827968 1008121716 /nfs/dbraw/zinc/12/17/16/1008121716.db2.gz WCDIJFNXFJJNTQ-LJQANCHMSA-N 2 1 404.514 3.759 20 0 HHADMP C[NH+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000539827968 1008121723 /nfs/dbraw/zinc/12/17/23/1008121723.db2.gz WCDIJFNXFJJNTQ-LJQANCHMSA-N 2 1 404.514 3.759 20 0 HHADMP CC1CC[NH+](CCc2cccc(NC(=O)C3CC[NH+](Cc4nccn4C)CC3)c2)CC1 ZINC000539906277 1008176843 /nfs/dbraw/zinc/17/68/43/1008176843.db2.gz GHIODAYSCFNXRA-UHFFFAOYSA-N 2 1 423.605 3.545 20 0 HHADMP C[C@@H](C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000539985548 1008221366 /nfs/dbraw/zinc/22/13/66/1008221366.db2.gz NOPAOLSZQYKECE-FQEVSTJZSA-N 2 1 406.574 3.593 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)[NH+]1CCCC1 ZINC000533958645 1008233752 /nfs/dbraw/zinc/23/37/52/1008233752.db2.gz ZJNQDZAVJJXING-GPXNEJASSA-N 2 1 422.573 3.577 20 0 HHADMP CC[N@@H+](CCC1CCN(C(=O)NCC[NH+]2CCc3ccccc3C2)CC1)CC1CC1 ZINC000540012503 1008236122 /nfs/dbraw/zinc/23/61/22/1008236122.db2.gz IYGAAQMHXBMNCM-UHFFFAOYSA-N 2 1 412.622 3.588 20 0 HHADMP CC[NH+](CCC1CCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1)CC1CC1 ZINC000540012503 1008236126 /nfs/dbraw/zinc/23/61/26/1008236126.db2.gz IYGAAQMHXBMNCM-UHFFFAOYSA-N 2 1 412.622 3.588 20 0 HHADMP CC[NH+](CCC1CCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1)CC1CC1 ZINC000540012503 1008236131 /nfs/dbraw/zinc/23/61/31/1008236131.db2.gz IYGAAQMHXBMNCM-UHFFFAOYSA-N 2 1 412.622 3.588 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000540258256 1008357589 /nfs/dbraw/zinc/35/75/89/1008357589.db2.gz FNCJVDINIFSVBA-CEXWTWQISA-N 2 1 415.603 3.663 20 0 HHADMP CC(=O)N1CC[NH+](CCOc2ccc(CC[NH2+][C@H](c3ccccc3)C3CC3)cc2)CC1 ZINC000540301274 1008372676 /nfs/dbraw/zinc/37/26/76/1008372676.db2.gz GKKKKBJNYNCEQV-AREMUKBSSA-N 2 1 421.585 3.513 20 0 HHADMP CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)cc2)CC1 ZINC000518643861 1008376560 /nfs/dbraw/zinc/37/65/60/1008376560.db2.gz AITIKQPQTQVBEQ-VWLOTQADSA-N 2 1 420.601 3.842 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Br)cn2)cc1 ZINC000540461953 1008441454 /nfs/dbraw/zinc/44/14/54/1008441454.db2.gz IIPIUDAMDXRERU-ZDUSSCGKSA-N 2 1 414.307 3.628 20 0 HHADMP C[C@H](C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000518881603 1008458062 /nfs/dbraw/zinc/45/80/62/1008458062.db2.gz VDHRCDHWNGJOKD-HXUWFJFHSA-N 2 1 418.585 3.604 20 0 HHADMP C[C@H](C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[N@H+]1CCc2ccccc2C1 ZINC000518881603 1008458066 /nfs/dbraw/zinc/45/80/66/1008458066.db2.gz VDHRCDHWNGJOKD-HXUWFJFHSA-N 2 1 418.585 3.604 20 0 HHADMP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000519230252 1008636994 /nfs/dbraw/zinc/63/69/94/1008636994.db2.gz FWTNZCGXKPVFFL-UHFFFAOYSA-N 2 1 415.475 3.659 20 0 HHADMP CCOC(=O)c1ccccc1NC(=O)CN[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549164007 1008735641 /nfs/dbraw/zinc/73/56/41/1008735641.db2.gz CEHJFLYZCHAWSF-QFIPXVFZSA-N 2 1 423.557 3.692 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)[C@@H](C)C1 ZINC000549204273 1008776128 /nfs/dbraw/zinc/77/61/28/1008776128.db2.gz GSJJVAWKWIXWHH-BVSLBCMMSA-N 2 1 400.611 3.659 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[C@@H](C)C1 ZINC000549204273 1008776141 /nfs/dbraw/zinc/77/61/41/1008776141.db2.gz GSJJVAWKWIXWHH-BVSLBCMMSA-N 2 1 400.611 3.659 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[C@@H](C)C1 ZINC000549204273 1008776153 /nfs/dbraw/zinc/77/61/53/1008776153.db2.gz GSJJVAWKWIXWHH-BVSLBCMMSA-N 2 1 400.611 3.659 20 0 HHADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549208207 1008779908 /nfs/dbraw/zinc/77/99/08/1008779908.db2.gz VDUAKUNFWIINSY-KNQAVFIVSA-N 2 1 400.611 3.659 20 0 HHADMP CC(C)[N@@H+](C)CCNC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000549243322 1008813019 /nfs/dbraw/zinc/81/30/19/1008813019.db2.gz PXYGGFYIMOVBBA-VCYXJBJXSA-N 2 1 407.002 3.893 20 0 HHADMP CC(C)[NH+](C)CCNC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000549243322 1008813032 /nfs/dbraw/zinc/81/30/32/1008813032.db2.gz PXYGGFYIMOVBBA-VCYXJBJXSA-N 2 1 407.002 3.893 20 0 HHADMP CC(C)[NH+](C)CCNC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549243322 1008813047 /nfs/dbraw/zinc/81/30/47/1008813047.db2.gz PXYGGFYIMOVBBA-VCYXJBJXSA-N 2 1 407.002 3.893 20 0 HHADMP Cn1cc(-c2ccc(C[NH+]3CCN([C@@H]4CC[N@H+](Cc5ccccc5)C4)CC3)s2)cn1 ZINC000519477318 1008851667 /nfs/dbraw/zinc/85/16/67/1008851667.db2.gz QPSIQKAHYWYSFV-JOCHJYFZSA-N 2 1 421.614 3.541 20 0 HHADMP Cn1cc(-c2ccc(C[NH+]3CCN([C@@H]4CC[N@@H+](Cc5ccccc5)C4)CC3)s2)cn1 ZINC000519477318 1008851683 /nfs/dbraw/zinc/85/16/83/1008851683.db2.gz QPSIQKAHYWYSFV-JOCHJYFZSA-N 2 1 421.614 3.541 20 0 HHADMP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000519501136 1008871900 /nfs/dbraw/zinc/87/19/00/1008871900.db2.gz LCYAQGBPYVCXQY-JOCHJYFZSA-N 2 1 414.981 3.688 20 0 HHADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000519610464 1008928443 /nfs/dbraw/zinc/92/84/43/1008928443.db2.gz ICGXMSHHVBBGLU-HNNXBMFYSA-N 2 1 415.409 3.986 20 0 HHADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000519610464 1008928460 /nfs/dbraw/zinc/92/84/60/1008928460.db2.gz ICGXMSHHVBBGLU-HNNXBMFYSA-N 2 1 415.409 3.986 20 0 HHADMP Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000545868448 1008957569 /nfs/dbraw/zinc/95/75/69/1008957569.db2.gz MZGWSKGSZJFJCF-SGTLLEGYSA-N 2 1 410.381 3.598 20 0 HHADMP Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000545868448 1008957577 /nfs/dbraw/zinc/95/75/77/1008957577.db2.gz MZGWSKGSZJFJCF-SGTLLEGYSA-N 2 1 410.381 3.598 20 0 HHADMP C[C@H](CCNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000543381581 1008969981 /nfs/dbraw/zinc/96/99/81/1008969981.db2.gz ZKQRFUZWZLFCFU-OAQYLSRUSA-N 2 1 400.611 3.805 20 0 HHADMP COc1cc(N[C@@H]2CCC[N@@H+](Cc3cn(-c4cc[nH+]cc4)nc3C)C2)cc(OC)c1 ZINC000543396374 1008987693 /nfs/dbraw/zinc/98/76/93/1008987693.db2.gz RHTKZJMUAODSKY-LJQANCHMSA-N 2 1 407.518 3.669 20 0 HHADMP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000543405212 1008997701 /nfs/dbraw/zinc/99/77/01/1008997701.db2.gz YMNYKFPOZSWZTL-AOYPEHQESA-N 2 1 407.602 3.523 20 0 HHADMP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000543405212 1008997728 /nfs/dbraw/zinc/99/77/28/1008997728.db2.gz YMNYKFPOZSWZTL-AOYPEHQESA-N 2 1 407.602 3.523 20 0 HHADMP Cc1cc(NC(=O)CC[NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000549423308 1009011432 /nfs/dbraw/zinc/01/14/32/1009011432.db2.gz OYQQILHTCGIWEC-DTFZGZDNSA-N 2 1 416.953 4.169 20 0 HHADMP C[C@H]([NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543458605 1009042242 /nfs/dbraw/zinc/04/22/42/1009042242.db2.gz GYADJAKHYMLBEG-XYJFISCASA-N 2 1 400.485 3.688 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000546009693 1009045543 /nfs/dbraw/zinc/04/55/43/1009045543.db2.gz HUDXLXCCRYAEBV-LLGFUMIMSA-N 2 1 411.571 3.795 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000546009693 1009045557 /nfs/dbraw/zinc/04/55/57/1009045557.db2.gz HUDXLXCCRYAEBV-LLGFUMIMSA-N 2 1 411.571 3.795 20 0 HHADMP COc1ccc(C(=O)Nc2cccc(OCC[NH2+]Cc3c[nH+]ccc3N(C)C)c2)cc1 ZINC000546060935 1009085153 /nfs/dbraw/zinc/08/51/53/1009085153.db2.gz IPHSGCRTCXCVRW-UHFFFAOYSA-N 2 1 420.513 3.577 20 0 HHADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(Cl)cc3Br)CC2)CC1 ZINC000543521920 1009113793 /nfs/dbraw/zinc/11/37/93/1009113793.db2.gz IIUPQTHGDCUYOP-UHFFFAOYSA-N 2 1 414.819 3.952 20 0 HHADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3coc(-c4cccc(Cl)c4)n3)CC2)CC1 ZINC000543522088 1009113848 /nfs/dbraw/zinc/11/38/48/1009113848.db2.gz KMHGLYOWNIICMB-UHFFFAOYSA-N 2 1 402.970 3.845 20 0 HHADMP CCOc1ccc(-c2nc(C[NH+]3CCC(C)(C[NH+]4CCN(C)CC4)CC3)co2)cc1 ZINC000543522263 1009114097 /nfs/dbraw/zinc/11/40/97/1009114097.db2.gz VWUCKDCHTZRTDT-UHFFFAOYSA-N 2 1 412.578 3.590 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)CC1 ZINC000519982943 1009128798 /nfs/dbraw/zinc/12/87/98/1009128798.db2.gz KPWCMEWCHVKFDF-UHFFFAOYSA-N 2 1 414.638 3.977 20 0 HHADMP CCCC[NH+](C)CC1CCN(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000519982943 1009128810 /nfs/dbraw/zinc/12/88/10/1009128810.db2.gz KPWCMEWCHVKFDF-UHFFFAOYSA-N 2 1 414.638 3.977 20 0 HHADMP CCCC[NH+](C)CC1CCN(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000519982943 1009128823 /nfs/dbraw/zinc/12/88/23/1009128823.db2.gz KPWCMEWCHVKFDF-UHFFFAOYSA-N 2 1 414.638 3.977 20 0 HHADMP CC[C@H]1CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000546143391 1009173295 /nfs/dbraw/zinc/17/32/95/1009173295.db2.gz OLMAWVQZNQNUCQ-QHCPKHFHSA-N 2 1 421.589 3.604 20 0 HHADMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C)CC1 ZINC000520043426 1009203879 /nfs/dbraw/zinc/20/38/79/1009203879.db2.gz BDLNKDUFGRCPPS-GOSISDBHSA-N 2 1 403.567 3.553 20 0 HHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C)CC1 ZINC000520043426 1009203890 /nfs/dbraw/zinc/20/38/90/1009203890.db2.gz BDLNKDUFGRCPPS-GOSISDBHSA-N 2 1 403.567 3.553 20 0 HHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549585079 1009211475 /nfs/dbraw/zinc/21/14/75/1009211475.db2.gz UWRUYVUQIYZINO-OXCBMLQPSA-N 2 1 420.601 3.636 20 0 HHADMP C[C@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549585079 1009211484 /nfs/dbraw/zinc/21/14/84/1009211484.db2.gz UWRUYVUQIYZINO-OXCBMLQPSA-N 2 1 420.601 3.636 20 0 HHADMP C[C@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549585079 1009211496 /nfs/dbraw/zinc/21/14/96/1009211496.db2.gz UWRUYVUQIYZINO-OXCBMLQPSA-N 2 1 420.601 3.636 20 0 HHADMP CCN(C(=O)C1CCN(c2cc[nH+]cc2C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546183021 1009212764 /nfs/dbraw/zinc/21/27/64/1009212764.db2.gz SDJACIPILOZDCT-QHCPKHFHSA-N 2 1 406.574 3.729 20 0 HHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000549589722 1009217512 /nfs/dbraw/zinc/21/75/12/1009217512.db2.gz VNFCBHFJUBITAY-VXKWHMMOSA-N 2 1 400.611 3.803 20 0 HHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549589722 1009217524 /nfs/dbraw/zinc/21/75/24/1009217524.db2.gz VNFCBHFJUBITAY-VXKWHMMOSA-N 2 1 400.611 3.803 20 0 HHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549589722 1009217536 /nfs/dbraw/zinc/21/75/36/1009217536.db2.gz VNFCBHFJUBITAY-VXKWHMMOSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000546228936 1009253794 /nfs/dbraw/zinc/25/37/94/1009253794.db2.gz ZJGXOVFXCDOARA-GOSISDBHSA-N 2 1 419.591 3.531 20 0 HHADMP C[N@H+]1CCCN(c2ccc(-c3noc(-c4cccc(C[NH+]5CCCC5)c4)n3)cn2)CC1 ZINC000546357541 1009367066 /nfs/dbraw/zinc/36/70/66/1009367066.db2.gz XWEVWKXOSHARBP-UHFFFAOYSA-N 2 1 418.545 3.536 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2N2CCCC2=O)cc1 ZINC000543812762 1009375008 /nfs/dbraw/zinc/37/50/08/1009375008.db2.gz BHGGGGMQMPGWBE-KRWDZBQOSA-N 2 1 417.513 3.597 20 0 HHADMP CC(C)[N@@H+](Cc1ccc(NC(=O)N2CC[NH+](C3CC3)CC2)cc1)C[C@@H]1CCCCO1 ZINC000543818799 1009380323 /nfs/dbraw/zinc/38/03/23/1009380323.db2.gz LQTGUOADYOBLHD-QHCPKHFHSA-N 2 1 414.594 3.778 20 0 HHADMP CC(C)[N@H+](Cc1ccc(NC(=O)N2CC[NH+](C3CC3)CC2)cc1)C[C@@H]1CCCCO1 ZINC000543818799 1009380334 /nfs/dbraw/zinc/38/03/34/1009380334.db2.gz LQTGUOADYOBLHD-QHCPKHFHSA-N 2 1 414.594 3.778 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)cc1)C(C)C ZINC000520371369 1009508708 /nfs/dbraw/zinc/50/87/08/1009508708.db2.gz QPWBNZNNJAVMAP-UHFFFAOYSA-N 2 1 401.595 3.682 20 0 HHADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCc3nc(-c4ccc(Br)cc4)sc32)C1 ZINC000546574120 1009597197 /nfs/dbraw/zinc/59/71/97/1009597197.db2.gz YRCVWCCRVZTMFC-KXBFYZLASA-N 2 1 422.392 3.606 20 0 HHADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCc3nc(-c4ccc(Br)cc4)sc32)C1 ZINC000546574120 1009597209 /nfs/dbraw/zinc/59/72/09/1009597209.db2.gz YRCVWCCRVZTMFC-KXBFYZLASA-N 2 1 422.392 3.606 20 0 HHADMP CC[C@H](C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)ccc1F)[NH+](CC)CC ZINC000546601355 1009622792 /nfs/dbraw/zinc/62/27/92/1009622792.db2.gz BQDQYHPSFHZPDU-OXJNMPFZSA-N 2 1 406.546 3.698 20 0 HHADMP CC[C@H](C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F)[NH+](CC)CC ZINC000546601355 1009622815 /nfs/dbraw/zinc/62/28/15/1009622815.db2.gz BQDQYHPSFHZPDU-OXJNMPFZSA-N 2 1 406.546 3.698 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000546659941 1009659202 /nfs/dbraw/zinc/65/92/02/1009659202.db2.gz DPYPQDPBFDJWNM-RBUKOAKNSA-N 2 1 405.542 3.876 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCCC[NH+]2CCc3ccccc3C2)CC1 ZINC000550112730 1009708801 /nfs/dbraw/zinc/70/88/01/1009708801.db2.gz LDQUNGVYCCXQCS-UHFFFAOYSA-N 2 1 400.611 3.588 20 0 HHADMP CCCC[NH+](C)CC1CCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000550112730 1009708815 /nfs/dbraw/zinc/70/88/15/1009708815.db2.gz LDQUNGVYCCXQCS-UHFFFAOYSA-N 2 1 400.611 3.588 20 0 HHADMP CCCC[NH+](C)CC1CCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000550112730 1009708827 /nfs/dbraw/zinc/70/88/27/1009708827.db2.gz LDQUNGVYCCXQCS-UHFFFAOYSA-N 2 1 400.611 3.588 20 0 HHADMP CC(C)[N@H+]1CCCN(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000520724604 1009792828 /nfs/dbraw/zinc/79/28/28/1009792828.db2.gz SSRKZTVFWWUHLP-UHFFFAOYSA-N 2 1 407.002 3.678 20 0 HHADMP C[C@@H](CCNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[NH+]1CCCCC1 ZINC000544331890 1009955128 /nfs/dbraw/zinc/95/51/28/1009955128.db2.gz FVTDPGHFGGSLEZ-FQEVSTJZSA-N 2 1 412.578 3.975 20 0 HHADMP C[C@@H](CCNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[NH+]1CCCCC1 ZINC000544331890 1009955132 /nfs/dbraw/zinc/95/51/32/1009955132.db2.gz FVTDPGHFGGSLEZ-FQEVSTJZSA-N 2 1 412.578 3.975 20 0 HHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544424483 1010047134 /nfs/dbraw/zinc/04/71/34/1010047134.db2.gz MRSSQRDRZWTQDW-ZIAGYGMSSA-N 2 1 423.483 3.763 20 0 HHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544424483 1010047145 /nfs/dbraw/zinc/04/71/45/1010047145.db2.gz MRSSQRDRZWTQDW-ZIAGYGMSSA-N 2 1 423.483 3.763 20 0 HHADMP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000521061949 1010081902 /nfs/dbraw/zinc/08/19/02/1010081902.db2.gz TWJQTVZSQKBMQI-OAQYLSRUSA-N 2 1 420.960 3.855 20 0 HHADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000521168318 1010201429 /nfs/dbraw/zinc/20/14/29/1010201429.db2.gz PFEWIPQRJRAOIJ-FQEVSTJZSA-N 2 1 407.002 3.726 20 0 HHADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C[C@@H](C)O1 ZINC000521186923 1010218382 /nfs/dbraw/zinc/21/83/82/1010218382.db2.gz JYWQAFSJPQRBBF-WOJBJXKFSA-N 2 1 416.610 3.724 20 0 HHADMP Cc1noc(C2CCC([NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CC34CCOCC4)CC2)n1 ZINC000550882552 1010239500 /nfs/dbraw/zinc/23/95/00/1010239500.db2.gz NPTMZOXGRSUYOQ-OOMBGRCJSA-N 2 1 424.589 3.923 20 0 HHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2nc(COc3ccccc3)n[nH]2)CC1 ZINC000550908262 1010250672 /nfs/dbraw/zinc/25/06/72/1010250672.db2.gz KXMUCYKEHOLHAF-UHFFFAOYSA-N 2 1 405.546 3.917 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)CC[N@@H+](C)C3CCCCC3)cc2)C[C@@H](C)O1 ZINC000547430919 1010302620 /nfs/dbraw/zinc/30/26/20/1010302620.db2.gz AGWMANGFKVRSLD-WOJBJXKFSA-N 2 1 401.595 3.567 20 0 HHADMP COc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000551064695 1010344321 /nfs/dbraw/zinc/34/43/21/1010344321.db2.gz DRCNTROMSVYNHC-XMMPIXPASA-N 2 1 421.585 3.921 20 0 HHADMP COc1ccccc1[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000551064695 1010344343 /nfs/dbraw/zinc/34/43/43/1010344343.db2.gz DRCNTROMSVYNHC-XMMPIXPASA-N 2 1 421.585 3.921 20 0 HHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)N3CCCCC3)c2)[C@H](C)C1 ZINC000547842957 1010446245 /nfs/dbraw/zinc/44/62/45/1010446245.db2.gz DKDOVUYYSSEMEN-NFBKMPQASA-N 2 1 401.595 3.539 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)N3CCCCC3)c2)[C@H](C)C1 ZINC000547842957 1010446251 /nfs/dbraw/zinc/44/62/51/1010446251.db2.gz DKDOVUYYSSEMEN-NFBKMPQASA-N 2 1 401.595 3.539 20 0 HHADMP COc1cc([C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c(F)cn1 ZINC000551258311 1010474788 /nfs/dbraw/zinc/47/47/88/1010474788.db2.gz FQDIKXGCCJSQJM-QUCCMNQESA-N 2 1 413.537 3.809 20 0 HHADMP COc1cc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c(F)cn1 ZINC000551258311 1010474793 /nfs/dbraw/zinc/47/47/93/1010474793.db2.gz FQDIKXGCCJSQJM-QUCCMNQESA-N 2 1 413.537 3.809 20 0 HHADMP CN1c2ccccc2[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CC1=O ZINC000551263126 1010479904 /nfs/dbraw/zinc/47/99/04/1010479904.db2.gz MVBUHHKPLJGLFL-JTHBVZDNSA-N 2 1 419.569 3.613 20 0 HHADMP CN1c2ccccc2[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CC1=O ZINC000551263126 1010479909 /nfs/dbraw/zinc/47/99/09/1010479909.db2.gz MVBUHHKPLJGLFL-JTHBVZDNSA-N 2 1 419.569 3.613 20 0 HHADMP O=C1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c2ccccc2N1 ZINC000551264824 1010481148 /nfs/dbraw/zinc/48/11/48/1010481148.db2.gz OGUGNBLALAWFON-GGAORHGYSA-N 2 1 419.569 3.978 20 0 HHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000548155509 1010547270 /nfs/dbraw/zinc/54/72/70/1010547270.db2.gz XHBFWGWEKMYYMM-JTAQYXEDSA-N 2 1 421.585 3.905 20 0 HHADMP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483055 1010641599 /nfs/dbraw/zinc/64/15/99/1010641599.db2.gz QWSHSUZUJOENSG-RBBKRZOGSA-N 2 1 407.606 3.935 20 0 HHADMP C[C@@H]([NH2+]CCCNc1ccc(C(F)(F)F)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483854 1010642800 /nfs/dbraw/zinc/64/28/00/1010642800.db2.gz JCMXDJYKHRRANC-MJGOQNOKSA-N 2 1 406.496 4.403 20 0 HHADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCc3nc(-c4ccccc4Br)sc32)C1 ZINC000545161530 1010659134 /nfs/dbraw/zinc/65/91/34/1010659134.db2.gz YZVYMFVHOYIQFZ-HNAYVOBHSA-N 2 1 422.392 3.606 20 0 HHADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCc3nc(-c4ccccc4Br)sc32)C1 ZINC000545161530 1010659138 /nfs/dbraw/zinc/65/91/38/1010659138.db2.gz YZVYMFVHOYIQFZ-HNAYVOBHSA-N 2 1 422.392 3.606 20 0 HHADMP C[C@]1(C2CC2)NC(=O)N(c2cccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)c2)C1=O ZINC000551571134 1010668980 /nfs/dbraw/zinc/66/89/80/1010668980.db2.gz RIGSIQZLMXTTGW-RUZDIDTESA-N 2 1 424.589 3.798 20 0 HHADMP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000548919269 1010760406 /nfs/dbraw/zinc/76/04/06/1010760406.db2.gz OZXJBWVBOLYJGS-GOSISDBHSA-N 2 1 400.592 3.584 20 0 HHADMP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000548919269 1010760411 /nfs/dbraw/zinc/76/04/11/1010760411.db2.gz OZXJBWVBOLYJGS-GOSISDBHSA-N 2 1 400.592 3.584 20 0 HHADMP C[C@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000522048170 1010777637 /nfs/dbraw/zinc/77/76/37/1010777637.db2.gz FNFLEWZGOZIFGT-OAQYLSRUSA-N 2 1 408.590 3.513 20 0 HHADMP O=C(NC[C@@H]1CCC[NH+]1Cc1ccccc1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000522277991 1010901304 /nfs/dbraw/zinc/90/13/04/1010901304.db2.gz CPDNZDNZZDWJKZ-DEOSSOPVSA-N 2 1 424.564 3.708 20 0 HHADMP O=C(NC[C@@H]1CCC[NH+]1Cc1ccccc1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000522277991 1010901308 /nfs/dbraw/zinc/90/13/08/1010901308.db2.gz CPDNZDNZZDWJKZ-DEOSSOPVSA-N 2 1 424.564 3.708 20 0 HHADMP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000522277991 1010901311 /nfs/dbraw/zinc/90/13/11/1010901311.db2.gz CPDNZDNZZDWJKZ-DEOSSOPVSA-N 2 1 424.564 3.708 20 0 HHADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000522277991 1010901316 /nfs/dbraw/zinc/90/13/16/1010901316.db2.gz CPDNZDNZZDWJKZ-DEOSSOPVSA-N 2 1 424.564 3.708 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000536130118 1011252608 /nfs/dbraw/zinc/25/26/08/1011252608.db2.gz JBIOHVUVLPXDLV-OYRHEFFESA-N 2 1 415.626 3.698 20 0 HHADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000540606340 1011259334 /nfs/dbraw/zinc/25/93/34/1011259334.db2.gz NTGJWBXNAYZBRE-SFHVURJKSA-N 2 1 405.608 3.600 20 0 HHADMP C[N@H+]1CC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000536159032 1011285509 /nfs/dbraw/zinc/28/55/09/1011285509.db2.gz YJYYJHZDWFXXQR-HRSYOHRGSA-N 2 1 418.585 3.927 20 0 HHADMP C[NH+]1CC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000536159032 1011285525 /nfs/dbraw/zinc/28/55/25/1011285525.db2.gz YJYYJHZDWFXXQR-HRSYOHRGSA-N 2 1 418.585 3.927 20 0 HHADMP C[NH+]1CC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000536159032 1011285541 /nfs/dbraw/zinc/28/55/41/1011285541.db2.gz YJYYJHZDWFXXQR-HRSYOHRGSA-N 2 1 418.585 3.927 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1)C1CCOCC1 ZINC000536308129 1011501580 /nfs/dbraw/zinc/50/15/80/1011501580.db2.gz ZRQBOJWSWARVHL-RBZQAINGSA-N 2 1 414.590 3.614 20 0 HHADMP C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000536357262 1011565675 /nfs/dbraw/zinc/56/56/75/1011565675.db2.gz YMSYRVJKYISFIC-PCCBWWKXSA-N 2 1 404.986 3.745 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000536357262 1011565695 /nfs/dbraw/zinc/56/56/95/1011565695.db2.gz YMSYRVJKYISFIC-PCCBWWKXSA-N 2 1 404.986 3.745 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000536370072 1011579765 /nfs/dbraw/zinc/57/97/65/1011579765.db2.gz JASLUCYSHYGTRQ-IFMALSPDSA-N 2 1 412.965 3.821 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000536370072 1011579777 /nfs/dbraw/zinc/57/97/77/1011579777.db2.gz JASLUCYSHYGTRQ-IFMALSPDSA-N 2 1 412.965 3.821 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccco1 ZINC000523192405 1011678518 /nfs/dbraw/zinc/67/85/18/1011678518.db2.gz RMCIOSYEKWKHBS-UYAOXDASSA-N 2 1 418.607 3.935 20 0 HHADMP CCOc1cc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)ccc1OC ZINC000536664143 1011815042 /nfs/dbraw/zinc/81/50/42/1011815042.db2.gz GDSGWSGCPWNRTP-UHFFFAOYSA-N 2 1 403.611 3.722 20 0 HHADMP CCOc1cc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1OC ZINC000536664143 1011815063 /nfs/dbraw/zinc/81/50/63/1011815063.db2.gz GDSGWSGCPWNRTP-UHFFFAOYSA-N 3 1 403.611 3.722 20 0 HHADMP CCOc1cc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1OC ZINC000536664143 1011815079 /nfs/dbraw/zinc/81/50/79/1011815079.db2.gz GDSGWSGCPWNRTP-UHFFFAOYSA-N 3 1 403.611 3.722 20 0 HHADMP O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000523338720 1011815986 /nfs/dbraw/zinc/81/59/86/1011815986.db2.gz SCCXIEVVZHXLIR-DEOSSOPVSA-N 2 1 406.574 3.596 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCC[C@@H]2CO)cc1)C1CC1 ZINC000541169851 1011842601 /nfs/dbraw/zinc/84/26/01/1011842601.db2.gz AXVQJPGAZNULQC-RUZDIDTESA-N 2 1 421.585 3.558 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1)C1CC1 ZINC000541169851 1011842618 /nfs/dbraw/zinc/84/26/18/1011842618.db2.gz AXVQJPGAZNULQC-RUZDIDTESA-N 2 1 421.585 3.558 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1)C1CC1 ZINC000541169851 1011842634 /nfs/dbraw/zinc/84/26/34/1011842634.db2.gz AXVQJPGAZNULQC-RUZDIDTESA-N 2 1 421.585 3.558 20 0 HHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000536697150 1011865386 /nfs/dbraw/zinc/86/53/86/1011865386.db2.gz LNAYNHNVSUHQJA-LJQANCHMSA-N 2 1 409.368 3.658 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000536702055 1011871335 /nfs/dbraw/zinc/87/13/35/1011871335.db2.gz AVXOBFQKCWABLT-VWLOTQADSA-N 2 1 406.574 3.887 20 0 HHADMP COC(=O)COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000541236581 1011914024 /nfs/dbraw/zinc/91/40/24/1011914024.db2.gz RINXAIIBXPUZPT-ISKFKSNPSA-N 2 1 408.542 3.725 20 0 HHADMP COC(=O)COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000541236581 1011914039 /nfs/dbraw/zinc/91/40/39/1011914039.db2.gz RINXAIIBXPUZPT-ISKFKSNPSA-N 2 1 408.542 3.725 20 0 HHADMP COC(=O)COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000541236581 1011914050 /nfs/dbraw/zinc/91/40/50/1011914050.db2.gz RINXAIIBXPUZPT-ISKFKSNPSA-N 2 1 408.542 3.725 20 0 HHADMP COC(=O)COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000541236581 1011914057 /nfs/dbraw/zinc/91/40/57/1011914057.db2.gz RINXAIIBXPUZPT-ISKFKSNPSA-N 2 1 408.542 3.725 20 0 HHADMP COC(=O)COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000541236583 1011914187 /nfs/dbraw/zinc/91/41/87/1011914187.db2.gz RINXAIIBXPUZPT-UPVQGACJSA-N 2 1 408.542 3.725 20 0 HHADMP COC(=O)COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000541236583 1011914195 /nfs/dbraw/zinc/91/41/95/1011914195.db2.gz RINXAIIBXPUZPT-UPVQGACJSA-N 2 1 408.542 3.725 20 0 HHADMP COC(=O)COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000541236583 1011914204 /nfs/dbraw/zinc/91/42/04/1011914204.db2.gz RINXAIIBXPUZPT-UPVQGACJSA-N 2 1 408.542 3.725 20 0 HHADMP COC(=O)COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000541236583 1011914212 /nfs/dbraw/zinc/91/42/12/1011914212.db2.gz RINXAIIBXPUZPT-UPVQGACJSA-N 2 1 408.542 3.725 20 0 HHADMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2ccnn2C2CCCC2)CC1)CC1CC1 ZINC000536737871 1011919748 /nfs/dbraw/zinc/91/97/48/1011919748.db2.gz XRLORQHBHAGMDD-UHFFFAOYSA-N 2 1 401.599 3.771 20 0 HHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2ccnn2C2CCCC2)CC1)CC1CC1 ZINC000536737871 1011919764 /nfs/dbraw/zinc/91/97/64/1011919764.db2.gz XRLORQHBHAGMDD-UHFFFAOYSA-N 2 1 401.599 3.771 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000523433284 1011922511 /nfs/dbraw/zinc/92/25/11/1011922511.db2.gz LLBGSWHOOWGLDE-UUOMVCFKSA-N 2 1 410.606 3.842 20 0 HHADMP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000536830944 1012060882 /nfs/dbraw/zinc/06/08/82/1012060882.db2.gz FRPKHQBBBBNCLC-UXHICEINSA-N 2 1 409.640 3.736 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NCC4([NH+]5CCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000552047564 1012066694 /nfs/dbraw/zinc/06/66/94/1012066694.db2.gz QTRMYLSACQRTPX-SDHOMARFSA-N 2 1 411.634 3.912 20 0 HHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]CC4(N5CCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000552047564 1012066709 /nfs/dbraw/zinc/06/67/09/1012066709.db2.gz QTRMYLSACQRTPX-SDHOMARFSA-N 2 1 411.634 3.912 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CC4(N5CCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000552047564 1012066723 /nfs/dbraw/zinc/06/67/23/1012066723.db2.gz QTRMYLSACQRTPX-SDHOMARFSA-N 2 1 411.634 3.912 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000536876361 1012118711 /nfs/dbraw/zinc/11/87/11/1012118711.db2.gz KCBJKZIJPFLECQ-SPEDKVCISA-N 2 1 407.624 3.631 20 0 HHADMP CN(C(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000523605091 1012172934 /nfs/dbraw/zinc/17/29/34/1012172934.db2.gz NRPBZPZITCECOE-YADHBBJMSA-N 2 1 424.614 3.726 20 0 HHADMP CN(C(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000523605091 1012172946 /nfs/dbraw/zinc/17/29/46/1012172946.db2.gz NRPBZPZITCECOE-YADHBBJMSA-N 2 1 424.614 3.726 20 0 HHADMP CN(C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000523605091 1012172956 /nfs/dbraw/zinc/17/29/56/1012172956.db2.gz NRPBZPZITCECOE-YADHBBJMSA-N 2 1 424.614 3.726 20 0 HHADMP CN(C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000523605091 1012172970 /nfs/dbraw/zinc/17/29/70/1012172970.db2.gz NRPBZPZITCECOE-YADHBBJMSA-N 2 1 424.614 3.726 20 0 HHADMP COc1cccc(N2C[C@@H]([NH2+]C3CCC([N@@H+](C)Cc4ccccc4)CC3)CC2=O)c1 ZINC000552247320 1012258255 /nfs/dbraw/zinc/25/82/55/1012258255.db2.gz KLYBCPGYRNSYMW-ORFBVSJDSA-N 2 1 407.558 3.833 20 0 HHADMP Fc1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)ccc1-n1cncn1 ZINC000552273639 1012286785 /nfs/dbraw/zinc/28/67/85/1012286785.db2.gz PIJALBBUGRNSSX-UHFFFAOYSA-N 2 1 405.521 3.895 20 0 HHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC(N[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000552275960 1012288834 /nfs/dbraw/zinc/28/88/34/1012288834.db2.gz GJFQBCSQDFWQKK-OJGLOBPSSA-N 2 1 411.634 3.645 20 0 HHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000552275960 1012288846 /nfs/dbraw/zinc/28/88/46/1012288846.db2.gz GJFQBCSQDFWQKK-OJGLOBPSSA-N 3 1 411.634 3.645 20 0 HHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000552275960 1012288862 /nfs/dbraw/zinc/28/88/62/1012288862.db2.gz GJFQBCSQDFWQKK-OJGLOBPSSA-N 3 1 411.634 3.645 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cnc(-c4ccncc4)s3)CC2)CC1 ZINC000552305276 1012317514 /nfs/dbraw/zinc/31/75/14/1012317514.db2.gz DBIFWIDZZHKYHM-UHFFFAOYSA-N 2 1 413.635 3.833 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(OC(F)F)c1 ZINC000537018241 1012323155 /nfs/dbraw/zinc/32/31/55/1012323155.db2.gz POIDSTNQEVAPJZ-UWVAXJGDSA-N 2 1 417.500 3.718 20 0 HHADMP C[NH+]1CCC(C[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)(N2CCCCC2)CC1 ZINC000541542504 1012326815 /nfs/dbraw/zinc/32/68/15/1012326815.db2.gz CSYQFVQDUJYKEZ-HSZRJFAPSA-N 2 1 414.544 3.989 20 0 HHADMP Fc1ccc([C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c2ccccn2)cc1 ZINC000541545296 1012331273 /nfs/dbraw/zinc/33/12/73/1012331273.db2.gz GJHYMVUNLVWDDM-XMMPIXPASA-N 2 1 405.521 3.507 20 0 HHADMP CCC(CC)[C@@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000541585578 1012375338 /nfs/dbraw/zinc/37/53/38/1012375338.db2.gz JMEVJTUYOHUSRD-HSZRJFAPSA-N 2 1 415.622 3.542 20 0 HHADMP C[C@H](NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(Br)cc1 ZINC000541600068 1012396257 /nfs/dbraw/zinc/39/62/57/1012396257.db2.gz XGFZXSSLXXZBGC-BQFCYCMXSA-N 2 1 422.411 3.869 20 0 HHADMP C[C@H](NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(Br)cc1 ZINC000541600068 1012396272 /nfs/dbraw/zinc/39/62/72/1012396272.db2.gz XGFZXSSLXXZBGC-BQFCYCMXSA-N 2 1 422.411 3.869 20 0 HHADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)[C@@H](C)C1 ZINC000523773258 1012412968 /nfs/dbraw/zinc/41/29/68/1012412968.db2.gz NPYGWZKCDMOPLP-VXKWHMMOSA-N 2 1 422.658 3.611 20 0 HHADMP COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1OC ZINC000537167344 1012569664 /nfs/dbraw/zinc/56/96/64/1012569664.db2.gz FAGUMOTXTVFIJY-JKSUJKDBSA-N 2 1 408.502 3.876 20 0 HHADMP CC[N@H+](CCNC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C1CC1 ZINC000523918221 1012641092 /nfs/dbraw/zinc/64/10/92/1012641092.db2.gz GSCRLGAYUJGWDA-UHFFFAOYSA-N 2 1 406.574 3.588 20 0 HHADMP CC[N@@H+](CCNC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C1CC1 ZINC000523918221 1012641104 /nfs/dbraw/zinc/64/11/04/1012641104.db2.gz GSCRLGAYUJGWDA-UHFFFAOYSA-N 2 1 406.574 3.588 20 0 HHADMP COc1ccc(F)cc1[C@@H](C)[NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000537290863 1012749604 /nfs/dbraw/zinc/74/96/04/1012749604.db2.gz MHASPVYDDVBORX-LJQANCHMSA-N 2 1 413.537 3.528 20 0 HHADMP COc1ccc(F)cc1[C@@H](C)[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000537290863 1012749621 /nfs/dbraw/zinc/74/96/21/1012749621.db2.gz MHASPVYDDVBORX-LJQANCHMSA-N 2 1 413.537 3.528 20 0 HHADMP Cc1c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cnn1-c1ccc(F)cc1 ZINC000541918442 1012776225 /nfs/dbraw/zinc/77/62/25/1012776225.db2.gz BBIMBRDFAZRKFO-UZUQRXQVSA-N 2 1 408.521 3.737 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NCCc2cccc3cccnc32)cc1 ZINC000541954915 1012818344 /nfs/dbraw/zinc/81/83/44/1012818344.db2.gz AOPOPFBPCXHYGJ-GOSISDBHSA-N 2 1 413.525 3.738 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NCCc2ccc(OC(C)C)cc2)cc1 ZINC000541956530 1012820764 /nfs/dbraw/zinc/82/07/64/1012820764.db2.gz OLOYPCYECPXJLO-LJQANCHMSA-N 2 1 420.557 3.977 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N(C)CCOc2ccccc2F)cc1 ZINC000541957219 1012821299 /nfs/dbraw/zinc/82/12/99/1012821299.db2.gz CZOLKDHKUTYPMT-QGZVFWFLSA-N 2 1 410.493 3.508 20 0 HHADMP CCC[N@H+](CCCn1c2ccccc2[nH]c1=O)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000537515812 1013029642 /nfs/dbraw/zinc/02/96/42/1013029642.db2.gz VTAOUECKFYGUFB-UHFFFAOYSA-N 2 1 422.577 3.920 20 0 HHADMP CCC[N@@H+](CCCn1c2ccccc2[nH]c1=O)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000537515812 1013029655 /nfs/dbraw/zinc/02/96/55/1013029655.db2.gz VTAOUECKFYGUFB-UHFFFAOYSA-N 2 1 422.577 3.920 20 0 HHADMP CCCN(C(=S)NCC1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000760479610 1072387922 /nfs/dbraw/zinc/38/79/22/1072387922.db2.gz ZOVMSBFFRANOSC-JOCHJYFZSA-N 2 1 402.652 3.579 20 0 HHADMP C[C@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000570886944 1072402547 /nfs/dbraw/zinc/40/25/47/1072402547.db2.gz QECVGPBCMOFVPZ-LJQANCHMSA-N 2 1 400.588 3.995 20 0 HHADMP C[C@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000570886944 1072402551 /nfs/dbraw/zinc/40/25/51/1072402551.db2.gz QECVGPBCMOFVPZ-LJQANCHMSA-N 2 1 400.588 3.995 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCCOc1ccc(Br)cc1 ZINC001168285028 1072424457 /nfs/dbraw/zinc/42/44/57/1072424457.db2.gz QIQGEMHIBVZHOK-RLLQIKCJSA-N 2 1 411.384 3.792 20 0 HHADMP C[N@H+](Cc1ccccc1)C[C@@H](C[NH+]1CCC(N2CCCNC2=O)CC1)c1ccccc1 ZINC001168296872 1072451619 /nfs/dbraw/zinc/45/16/19/1072451619.db2.gz ZANBIRHXCZNUOU-DEOSSOPVSA-N 2 1 420.601 3.782 20 0 HHADMP CN1CCn2c(-c3ccccc3)cnc2C12CC[NH+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168377298 1072473671 /nfs/dbraw/zinc/47/36/71/1072473671.db2.gz BVKZCGMXXMTSDX-UHFFFAOYSA-N 2 1 419.617 3.661 20 0 HHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cc(F)cc(Br)c2F)no1 ZINC001212145233 1072532354 /nfs/dbraw/zinc/53/23/54/1072532354.db2.gz PDPXZUWSBBPCCV-ZDUSSCGKSA-N 2 1 403.271 3.945 20 0 HHADMP COc1cccc([C@@H]2CC(=O)N(C[NH+]3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)C2)c1 ZINC000760539136 1072563020 /nfs/dbraw/zinc/56/30/20/1072563020.db2.gz OTBCTWDPKCBPAA-NFBKMPQASA-N 2 1 413.606 3.945 20 0 HHADMP COc1cccc([C@@H]2CC(=O)N(C[NH+]3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)C2)c1 ZINC000760539136 1072563024 /nfs/dbraw/zinc/56/30/24/1072563024.db2.gz OTBCTWDPKCBPAA-NFBKMPQASA-N 2 1 413.606 3.945 20 0 HHADMP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000571328349 1072604077 /nfs/dbraw/zinc/60/40/77/1072604077.db2.gz LHSRQWAKACXPOP-WMLDXEAASA-N 2 1 409.596 3.579 20 0 HHADMP C[C@@H](C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000571808012 1072859351 /nfs/dbraw/zinc/85/93/51/1072859351.db2.gz TYLZUBIHGBCOIY-KRWDZBQOSA-N 2 1 419.491 3.986 20 0 HHADMP CCC[N@@H+](Cc1cc(OC)c(O)c(OC)c1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000554856352 1072905099 /nfs/dbraw/zinc/90/50/99/1072905099.db2.gz PPQZDPFGUKUQTM-UHFFFAOYSA-N 2 1 414.550 3.697 20 0 HHADMP CCC[N@H+](Cc1cc(OC)c(O)c(OC)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000554856352 1072905106 /nfs/dbraw/zinc/90/51/06/1072905106.db2.gz PPQZDPFGUKUQTM-UHFFFAOYSA-N 2 1 414.550 3.697 20 0 HHADMP CCC[N@@H+](Cc1cc(OC)c(O)c(OC)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000554856352 1072905112 /nfs/dbraw/zinc/90/51/12/1072905112.db2.gz PPQZDPFGUKUQTM-UHFFFAOYSA-N 2 1 414.550 3.697 20 0 HHADMP CC[N@@H+](CCNC(=O)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1)C(C)C ZINC000588304156 1073015074 /nfs/dbraw/zinc/01/50/74/1073015074.db2.gz BEWILEFBYBYMMD-UHFFFAOYSA-N 2 1 414.516 3.653 20 0 HHADMP CC[NH+](CCNC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1)C(C)C ZINC000588304156 1073015084 /nfs/dbraw/zinc/01/50/84/1073015084.db2.gz BEWILEFBYBYMMD-UHFFFAOYSA-N 2 1 414.516 3.653 20 0 HHADMP CC[NH+](CCNC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1)C(C)C ZINC000588304156 1073015093 /nfs/dbraw/zinc/01/50/93/1073015093.db2.gz BEWILEFBYBYMMD-UHFFFAOYSA-N 2 1 414.516 3.653 20 0 HHADMP CC1CC[NH+](Cc2cccc(CNC(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)c2)CC1 ZINC000588699432 1073149772 /nfs/dbraw/zinc/14/97/72/1073149772.db2.gz KNJFDDJPAVPQOQ-VWLOTQADSA-N 2 1 420.601 3.842 20 0 HHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nnc(-c4ccccc4Cl)o3)CC2)C[C@@H](C)O1 ZINC000588708637 1073154473 /nfs/dbraw/zinc/15/44/73/1073154473.db2.gz BDADJEVPNFCKST-HZPDHXFCSA-N 2 1 404.942 3.711 20 0 HHADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000555210586 1073264581 /nfs/dbraw/zinc/26/45/81/1073264581.db2.gz CUGVOELKFKYWNB-FGZHOGPDSA-N 2 1 423.605 3.920 20 0 HHADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000555210586 1073264583 /nfs/dbraw/zinc/26/45/83/1073264583.db2.gz CUGVOELKFKYWNB-FGZHOGPDSA-N 2 1 423.605 3.920 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000590020517 1073472904 /nfs/dbraw/zinc/47/29/04/1073472904.db2.gz YHNSQIUBBBEBCQ-GJZGRUSLSA-N 2 1 405.329 3.882 20 0 HHADMP C[NH+](C)CC1CC[NH+](CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)CC1 ZINC000590125909 1073573069 /nfs/dbraw/zinc/57/30/69/1073573069.db2.gz SMINTFCSWHCIJR-SFHVURJKSA-N 2 1 416.616 3.761 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000590786604 1074004177 /nfs/dbraw/zinc/00/41/77/1074004177.db2.gz HNFLCXOLPHYXQN-OAHLLOKOSA-N 2 1 401.473 3.964 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000590818960 1074020572 /nfs/dbraw/zinc/02/05/72/1074020572.db2.gz MAHJNYFJICNXFU-UHFFFAOYSA-N 2 1 414.363 3.969 20 0 HHADMP CC[NH+]1CCC(C[NH2+][C@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)CC1 ZINC000573120961 1074212916 /nfs/dbraw/zinc/21/29/16/1074212916.db2.gz RKOABXXPDMLCFD-JOCHJYFZSA-N 2 1 422.541 3.779 20 0 HHADMP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000591427860 1074286515 /nfs/dbraw/zinc/28/65/15/1074286515.db2.gz LXHIULUQWGUPIF-OAQYLSRUSA-N 2 1 421.585 3.728 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000591427860 1074286519 /nfs/dbraw/zinc/28/65/19/1074286519.db2.gz LXHIULUQWGUPIF-OAQYLSRUSA-N 2 1 421.585 3.728 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000591427860 1074286523 /nfs/dbraw/zinc/28/65/23/1074286523.db2.gz LXHIULUQWGUPIF-OAQYLSRUSA-N 2 1 421.585 3.728 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000591427860 1074286527 /nfs/dbraw/zinc/28/65/27/1074286527.db2.gz LXHIULUQWGUPIF-OAQYLSRUSA-N 2 1 421.585 3.728 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000591569008 1074415079 /nfs/dbraw/zinc/41/50/79/1074415079.db2.gz RWZDDQHUSAMBML-HXUWFJFHSA-N 2 1 420.548 3.589 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH+](C2CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000591576783 1074420880 /nfs/dbraw/zinc/42/08/80/1074420880.db2.gz XDGJERRVQSZCJY-IBGZPJMESA-N 2 1 412.500 3.578 20 0 HHADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000591688712 1074490257 /nfs/dbraw/zinc/49/02/57/1074490257.db2.gz NQJFGOQTZFFCQX-LJQANCHMSA-N 2 1 404.352 3.607 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000591813535 1074591440 /nfs/dbraw/zinc/59/14/40/1074591440.db2.gz IYTMBACSEUMXRU-BWKNWUBXSA-N 2 1 421.585 3.619 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000591813535 1074591448 /nfs/dbraw/zinc/59/14/48/1074591448.db2.gz IYTMBACSEUMXRU-BWKNWUBXSA-N 2 1 421.585 3.619 20 0 HHADMP O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000573709747 1074635994 /nfs/dbraw/zinc/63/59/94/1074635994.db2.gz OCKCQYCVXOLCHP-HXUWFJFHSA-N 2 1 411.512 3.617 20 0 HHADMP C[N@@H+]1CCN(CC[NH2+][C@@H](c2ccc(Br)o2)c2ccc(F)cc2)CC1(C)C ZINC000574863475 1075397332 /nfs/dbraw/zinc/39/73/32/1075397332.db2.gz LHPFYBMFSSWLPG-LJQANCHMSA-N 2 1 424.358 3.886 20 0 HHADMP C[N@H+]1CCN(CC[NH2+][C@@H](c2ccc(Br)o2)c2ccc(F)cc2)CC1(C)C ZINC000574863475 1075397346 /nfs/dbraw/zinc/39/73/46/1075397346.db2.gz LHPFYBMFSSWLPG-LJQANCHMSA-N 2 1 424.358 3.886 20 0 HHADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(Br)c(Br)c2)CC1 ZINC001649010394 1075461535 /nfs/dbraw/zinc/46/15/35/1075461535.db2.gz VOSCOXKJNOWIED-UHFFFAOYSA-N 2 1 420.189 3.802 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@H]([NH+]4[C@H](C)CC[C@H]4C)C3)CC2)cs1 ZINC000597723711 1075698206 /nfs/dbraw/zinc/69/82/06/1075698206.db2.gz RPNDDWLQHXOMNY-LZJOCLMNSA-N 2 1 404.624 3.527 20 0 HHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CC[C@H]5[NH2+]CC[C@H]54)c23)C1 ZINC001164411113 718876118 /nfs/dbraw/zinc/87/61/18/718876118.db2.gz MRXXXDLIHDWFHT-KBAYOESNSA-N 2 1 411.619 3.743 20 0 HHADMP CCOC(=O)c1c[nH]c2cc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)[nH+]cc21 ZINC001164627904 719094347 /nfs/dbraw/zinc/09/43/47/719094347.db2.gz LBNJRFUPDZCPOA-XMSQKQJNSA-N 2 1 404.514 3.840 20 0 HHADMP CCOC(=O)c1c[nH]c2cc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)[nH+]cc21 ZINC001164627904 719094352 /nfs/dbraw/zinc/09/43/52/719094352.db2.gz LBNJRFUPDZCPOA-XMSQKQJNSA-N 2 1 404.514 3.840 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cc(Cl)ncc2Cl)c2c1CC[NH2+]C2 ZINC001164681768 719605833 /nfs/dbraw/zinc/60/58/33/719605833.db2.gz ANJRBYTZKJFWDY-UHFFFAOYSA-N 2 1 404.292 3.668 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cc(Cl)ncc2Cl)c2c1CC[NH2+]C2 ZINC001164681768 719605841 /nfs/dbraw/zinc/60/58/41/719605841.db2.gz ANJRBYTZKJFWDY-UHFFFAOYSA-N 2 1 404.292 3.668 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(-c2nc(N3CCCC3)cc3ccccc32)c2c1CC[NH2+]C2 ZINC001164679491 719642623 /nfs/dbraw/zinc/64/26/23/719642623.db2.gz CKBPLUARJGNYDH-UHFFFAOYSA-N 2 1 404.562 3.507 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(N3CCCC3)cc3ccccc32)c2c1CC[NH2+]C2 ZINC001164679491 719642627 /nfs/dbraw/zinc/64/26/27/719642627.db2.gz CKBPLUARJGNYDH-UHFFFAOYSA-N 2 1 404.562 3.507 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(-c2nnc(Cl)c3ccc(Cl)cc32)c2c1CC[NH2+]C2 ZINC001164679516 719647718 /nfs/dbraw/zinc/64/77/18/719647718.db2.gz DWHYNJKJRMVYKQ-UHFFFAOYSA-N 2 1 405.333 3.608 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(-c2nnc(Cl)c3ccc(Cl)cc32)c2c1CC[NH2+]C2 ZINC001164679516 719647723 /nfs/dbraw/zinc/64/77/23/719647723.db2.gz DWHYNJKJRMVYKQ-UHFFFAOYSA-N 2 1 405.333 3.608 20 0 HHADMP CC(C)(C)N(c1nc(Cl)ccc1C[NH+]1CCCC1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001164734628 720545608 /nfs/dbraw/zinc/54/56/08/720545608.db2.gz JOKOPLAAGLHJSK-GOSISDBHSA-N 2 1 407.002 3.847 20 0 HHADMP C[NH+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(C[N@H+](C)C3CC3)cn1)CC2 ZINC001164840923 720717211 /nfs/dbraw/zinc/71/72/11/720717211.db2.gz SPWXUAICMLDATF-XMMPIXPASA-N 2 1 420.601 3.936 20 0 HHADMP C[NH+](Cc1ccc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1)C1CC1 ZINC001164840923 720717222 /nfs/dbraw/zinc/71/72/22/720717222.db2.gz SPWXUAICMLDATF-XMMPIXPASA-N 2 1 420.601 3.936 20 0 HHADMP C[NH+](Cc1ccc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1)C1CC1 ZINC001164840923 720717227 /nfs/dbraw/zinc/71/72/27/720717227.db2.gz SPWXUAICMLDATF-XMMPIXPASA-N 2 1 420.601 3.936 20 0 HHADMP c1cc2c[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)cc2[nH]1 ZINC001164754825 720875764 /nfs/dbraw/zinc/87/57/64/720875764.db2.gz SXXXKURLUYNYSP-DHLKQENFSA-N 2 1 417.557 3.713 20 0 HHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC4(C3)CC[N@H+](CC3CC3)C4)c2c1C ZINC001164767975 721297783 /nfs/dbraw/zinc/29/77/83/721297783.db2.gz CNWXXQKRNQTZQE-UHFFFAOYSA-N 2 1 411.619 3.826 20 0 HHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)c2c1C ZINC001164767975 721297787 /nfs/dbraw/zinc/29/77/87/721297787.db2.gz CNWXXQKRNQTZQE-UHFFFAOYSA-N 2 1 411.619 3.826 20 0 HHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164795978 721503582 /nfs/dbraw/zinc/50/35/82/721503582.db2.gz PAGDCQDCDBSYFC-UHFFFAOYSA-N 2 1 405.590 3.953 20 0 HHADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(N5CCCC5)cc(C)[nH+]4)CC3)C2)cc1 ZINC001164937616 721919762 /nfs/dbraw/zinc/91/97/62/721919762.db2.gz FIDCQZFZAFRJPG-UHFFFAOYSA-N 2 1 421.589 3.565 20 0 HHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@H]3CCCO[C@H]32)nc1 ZINC001164961932 722051336 /nfs/dbraw/zinc/05/13/36/722051336.db2.gz ZDRHVYSMROUJSD-NMOFPLQQSA-N 2 1 421.589 3.929 20 0 HHADMP CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@H]2C[NH+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976227 722158451 /nfs/dbraw/zinc/15/84/51/722158451.db2.gz VJUYDGBTENRUOI-ICSRJNTNSA-N 2 1 400.954 3.588 20 0 HHADMP CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@H]2C[NH+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976227 722158452 /nfs/dbraw/zinc/15/84/52/722158452.db2.gz VJUYDGBTENRUOI-ICSRJNTNSA-N 2 1 400.954 3.588 20 0 HHADMP CC(C)(c1ccnc(Cl)c1)[NH+]1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976227 722158453 /nfs/dbraw/zinc/15/84/53/722158453.db2.gz VJUYDGBTENRUOI-ICSRJNTNSA-N 2 1 400.954 3.588 20 0 HHADMP CC(C)(c1ccnc(Cl)c1)[NH+]1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976227 722158454 /nfs/dbraw/zinc/15/84/54/722158454.db2.gz VJUYDGBTENRUOI-ICSRJNTNSA-N 2 1 400.954 3.588 20 0 HHADMP CC(C)[NH+]1CCC(NC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000302949097 971413887 /nfs/dbraw/zinc/41/38/87/971413887.db2.gz NKKSWQBPEUDQBP-UHFFFAOYSA-N 2 1 420.601 3.976 20 0 HHADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](C[NH+]3CCCC3)c3ccccc3)cc2F)CC1 ZINC000302961392 971421640 /nfs/dbraw/zinc/42/16/40/971421640.db2.gz BYKARTSVKZEVNA-QHCPKHFHSA-N 2 1 424.564 3.535 20 0 HHADMP C[C@H](CNC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[NH+](C)C1CC1 ZINC000303277207 971593158 /nfs/dbraw/zinc/59/31/58/971593158.db2.gz SRPYIYRNESZICS-UTKZUKDTSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@H](CNC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[NH+](C)C1CC1 ZINC000303277207 971593162 /nfs/dbraw/zinc/59/31/62/971593162.db2.gz SRPYIYRNESZICS-UTKZUKDTSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1)[N@H+](C)C1CC1 ZINC000303277207 971593170 /nfs/dbraw/zinc/59/31/70/971593170.db2.gz SRPYIYRNESZICS-UTKZUKDTSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1)[N@@H+](C)C1CC1 ZINC000303277207 971593172 /nfs/dbraw/zinc/59/31/72/971593172.db2.gz SRPYIYRNESZICS-UTKZUKDTSA-N 2 1 412.603 3.629 20 0 HHADMP O=C(NCCCCC[NH+]1CCCCC1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000303460188 971764539 /nfs/dbraw/zinc/76/45/39/971764539.db2.gz LGWWHNXXGPFSMN-UHFFFAOYSA-N 2 1 422.564 3.885 20 0 HHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000303494115 971791767 /nfs/dbraw/zinc/79/17/67/971791767.db2.gz SVILFTRQSVYGTE-HMTSVIFASA-N 2 1 412.622 3.848 20 0 HHADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000303494115 971791773 /nfs/dbraw/zinc/79/17/73/971791773.db2.gz SVILFTRQSVYGTE-HMTSVIFASA-N 2 1 412.622 3.848 20 0 HHADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000303494115 971791778 /nfs/dbraw/zinc/79/17/78/971791778.db2.gz SVILFTRQSVYGTE-HMTSVIFASA-N 2 1 412.622 3.848 20 0 HHADMP C[C@H](C(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000303735845 971988975 /nfs/dbraw/zinc/98/89/75/971988975.db2.gz GMJPQYDUSLGUKG-OTPAQWSUSA-N 2 1 405.586 3.945 20 0 HHADMP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000303735845 971988982 /nfs/dbraw/zinc/98/89/82/971988982.db2.gz GMJPQYDUSLGUKG-OTPAQWSUSA-N 2 1 405.586 3.945 20 0 HHADMP COc1ccc(NC(=O)[C@H](C)Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)cc1 ZINC000303795633 972033711 /nfs/dbraw/zinc/03/37/11/972033711.db2.gz KQIZUGLUBCXSJD-SFHVURJKSA-N 2 1 410.562 3.912 20 0 HHADMP COC(=O)CCn1nc(C)c(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1C ZINC000537621885 1013169570 /nfs/dbraw/zinc/16/95/70/1013169570.db2.gz GXFJZWOHJJZJEI-GOSISDBHSA-N 2 1 404.599 3.540 20 0 HHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000537649384 1013210372 /nfs/dbraw/zinc/21/03/72/1013210372.db2.gz JSRQZANKYSIBTO-XMMPIXPASA-N 2 1 419.573 3.867 20 0 HHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3CCCc4ccc(Br)cc43)C2)CC1 ZINC000537678316 1013237429 /nfs/dbraw/zinc/23/74/29/1013237429.db2.gz UAGVFPRXQFLADM-TZIWHRDSSA-N 2 1 406.412 3.927 20 0 HHADMP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2ncc(-c3ccccc3)s2)cc1 ZINC000537746470 1013309236 /nfs/dbraw/zinc/30/92/36/1013309236.db2.gz DGJWVYBOPSQQCA-UHFFFAOYSA-N 2 1 420.582 3.926 20 0 HHADMP COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537843547 1013406899 /nfs/dbraw/zinc/40/68/99/1013406899.db2.gz ADHVXYKWUQUWAQ-WOJBJXKFSA-N 2 1 424.589 3.894 20 0 HHADMP C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537841369 1013403006 /nfs/dbraw/zinc/40/30/06/1013403006.db2.gz KPQBNVKEQBPCAJ-HXUWFJFHSA-N 2 1 406.574 3.593 20 0 HHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000542464901 1013412264 /nfs/dbraw/zinc/41/22/64/1013412264.db2.gz OGSLXVOJLSWOIF-GOSISDBHSA-N 2 1 422.508 3.749 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000553513605 1013413478 /nfs/dbraw/zinc/41/34/78/1013413478.db2.gz LIXLYYZKAJEYNK-UGKGYDQZSA-N 2 1 407.668 3.707 20 0 HHADMP C[C@H](CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1)[NH+]1CCCCC1 ZINC000542487739 1013434111 /nfs/dbraw/zinc/43/41/11/1013434111.db2.gz RUYLPLYENUWQNJ-WOJBJXKFSA-N 2 1 407.624 3.776 20 0 HHADMP C[C@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000542515151 1013458925 /nfs/dbraw/zinc/45/89/25/1013458925.db2.gz QMXYLHYTGZGVKI-OAQYLSRUSA-N 2 1 405.586 3.852 20 0 HHADMP C[C@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542532829 1013477084 /nfs/dbraw/zinc/47/70/84/1013477084.db2.gz SVROODGZMHGVKV-FRQCXROJSA-N 2 1 400.485 3.688 20 0 HHADMP COc1ccc([C@H](NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C(C)C)cc1 ZINC000542534241 1013479110 /nfs/dbraw/zinc/47/91/10/1013479110.db2.gz RFLSUJMHWNNPEY-MFSJNOQSSA-N 2 1 401.595 3.751 20 0 HHADMP COc1ccc([C@H](NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C(C)C)cc1 ZINC000542534241 1013479115 /nfs/dbraw/zinc/47/91/15/1013479115.db2.gz RFLSUJMHWNNPEY-MFSJNOQSSA-N 2 1 401.595 3.751 20 0 HHADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000537959486 1013539983 /nfs/dbraw/zinc/53/99/83/1013539983.db2.gz JKRSZNAOITZXKV-BEVDRBHNSA-N 2 1 400.592 3.932 20 0 HHADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCOc3ccc(I)cc32)CC1 ZINC000537972046 1013548838 /nfs/dbraw/zinc/54/88/38/1013548838.db2.gz SPYMMKXXFHFGNU-QGZVFWFLSA-N 2 1 414.331 3.967 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000537978622 1013554427 /nfs/dbraw/zinc/55/44/27/1013554427.db2.gz AQTKMWWVQXPXDE-HYBUGGRVSA-N 2 1 412.622 3.993 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000537978622 1013554433 /nfs/dbraw/zinc/55/44/33/1013554433.db2.gz AQTKMWWVQXPXDE-HYBUGGRVSA-N 2 1 412.622 3.993 20 0 HHADMP COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)C2=O)c1 ZINC000537983500 1013558753 /nfs/dbraw/zinc/55/87/53/1013558753.db2.gz NWWLPJIYOPGRQT-QMHKHESXSA-N 2 1 420.513 3.654 20 0 HHADMP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000537987905 1013562635 /nfs/dbraw/zinc/56/26/35/1013562635.db2.gz RYQJBZAQWHILTH-OPYAIIAOSA-N 2 1 407.624 3.631 20 0 HHADMP Cc1cccc(C[NH+]2CCN(C(=O)NC3CC[NH+](CCc4ccccc4)CC3)CC2)c1 ZINC000031148609 965912095 /nfs/dbraw/zinc/91/20/95/965912095.db2.gz RYWIAEVNBAOSNQ-UHFFFAOYSA-N 2 1 420.601 3.529 20 0 HHADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000060355296 966106473 /nfs/dbraw/zinc/10/64/73/966106473.db2.gz SHMGUNYNISXTHK-VWLOTQADSA-N 2 1 405.586 3.818 20 0 HHADMP O=C([C@@H]1CCC[NH+]1Cc1ccccc1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000060355296 966106476 /nfs/dbraw/zinc/10/64/76/966106476.db2.gz SHMGUNYNISXTHK-VWLOTQADSA-N 2 1 405.586 3.818 20 0 HHADMP O=C([C@@H]1CCC[NH+]1Cc1ccccc1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000060355296 966106482 /nfs/dbraw/zinc/10/64/82/966106482.db2.gz SHMGUNYNISXTHK-VWLOTQADSA-N 2 1 405.586 3.818 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC(CC[NH+](C)C)CC3)cc2)C1 ZINC000056846236 966490502 /nfs/dbraw/zinc/49/05/02/966490502.db2.gz TWWRXQKFRSYRNC-FQEVSTJZSA-N 2 1 400.611 3.792 20 0 HHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061790992 966555743 /nfs/dbraw/zinc/55/57/43/966555743.db2.gz SXMSURRQBDLKLU-HSALFYBXSA-N 2 1 418.651 3.766 20 0 HHADMP COc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)c(OC)c1OC ZINC000041873081 966658059 /nfs/dbraw/zinc/65/80/59/966658059.db2.gz NEQWRHRHPRFUML-UHFFFAOYSA-N 2 1 407.514 3.891 20 0 HHADMP C[N@@H+](CCCNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000063147643 966761890 /nfs/dbraw/zinc/76/18/90/966761890.db2.gz OEGPMQMEZVXBBY-UHFFFAOYSA-N 2 1 402.652 3.770 20 0 HHADMP O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000063464498 966867472 /nfs/dbraw/zinc/86/74/72/966867472.db2.gz LZIVUCRHKICEEK-HSZRJFAPSA-N 2 1 420.601 3.994 20 0 HHADMP CC[NH+]1CCC(NC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000043293242 966946503 /nfs/dbraw/zinc/94/65/03/966946503.db2.gz AORMEPHRSWURSZ-UHFFFAOYSA-N 2 1 406.574 3.588 20 0 HHADMP O=C(Nc1ccccc1)[C@H](c1ccccc1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000064344371 967148877 /nfs/dbraw/zinc/14/88/77/967148877.db2.gz PHYQIMKIRJDVSB-DEOSSOPVSA-N 2 1 407.558 3.801 20 0 HHADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064644502 967257356 /nfs/dbraw/zinc/25/73/56/967257356.db2.gz AQFDKOWJMMYXPU-ICSRJNTNSA-N 2 1 416.591 3.689 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000064735669 967278413 /nfs/dbraw/zinc/27/84/13/967278413.db2.gz UZHHVMIKPLXKDY-QIQSYULWSA-N 2 1 413.606 3.773 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000064735669 967278415 /nfs/dbraw/zinc/27/84/15/967278415.db2.gz UZHHVMIKPLXKDY-QIQSYULWSA-N 2 1 413.606 3.773 20 0 HHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000064735669 967278419 /nfs/dbraw/zinc/27/84/19/967278419.db2.gz UZHHVMIKPLXKDY-QIQSYULWSA-N 2 1 413.606 3.773 20 0 HHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000064735669 967278423 /nfs/dbraw/zinc/27/84/23/967278423.db2.gz UZHHVMIKPLXKDY-QIQSYULWSA-N 2 1 413.606 3.773 20 0 HHADMP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000044908078 967312096 /nfs/dbraw/zinc/31/20/96/967312096.db2.gz GFDXTHGRINBEAL-UHFFFAOYSA-N 2 1 422.411 3.653 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCC[NH+](C)Cc1ccco1 ZINC000553944221 1013714581 /nfs/dbraw/zinc/71/45/81/1013714581.db2.gz BSAFTAIEFDSPOU-REWPJTCUSA-N 2 1 412.578 3.654 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000553944221 1013714590 /nfs/dbraw/zinc/71/45/90/1013714590.db2.gz BSAFTAIEFDSPOU-REWPJTCUSA-N 2 1 412.578 3.654 20 0 HHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000065441218 967467408 /nfs/dbraw/zinc/46/74/08/967467408.db2.gz YDVNOHIKFAVSDD-HXUWFJFHSA-N 2 1 400.611 3.981 20 0 HHADMP CC(C)[NH+]1CC[C@H](CNC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000065441218 967467412 /nfs/dbraw/zinc/46/74/12/967467412.db2.gz YDVNOHIKFAVSDD-HXUWFJFHSA-N 2 1 400.611 3.981 20 0 HHADMP CC(C)[NH+]1CC[C@H](CNC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000065441218 967467415 /nfs/dbraw/zinc/46/74/15/967467415.db2.gz YDVNOHIKFAVSDD-HXUWFJFHSA-N 2 1 400.611 3.981 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000065527029 967508546 /nfs/dbraw/zinc/50/85/46/967508546.db2.gz WUPWEXBWEAGBOL-BGYRXZFFSA-N 2 1 400.611 3.838 20 0 HHADMP Cc1ccc(C[NH+]2CCCN(C(=O)NCC(C)(C)[N@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000065549837 967514326 /nfs/dbraw/zinc/51/43/26/967514326.db2.gz RMBLFOUQPCCQBO-NRFANRHFSA-N 2 1 400.611 3.723 20 0 HHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)NCC(C)(C)[NH+]3CCC[C@H](C)C3)CC2)cc1 ZINC000065549837 967514332 /nfs/dbraw/zinc/51/43/32/967514332.db2.gz RMBLFOUQPCCQBO-NRFANRHFSA-N 2 1 400.611 3.723 20 0 HHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)NCC(C)(C)[NH+]3CCC[C@H](C)C3)CC2)cc1 ZINC000065549837 967514340 /nfs/dbraw/zinc/51/43/40/967514340.db2.gz RMBLFOUQPCCQBO-NRFANRHFSA-N 2 1 400.611 3.723 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)NCCCC[N@H+]3CCCC[C@@H]3C)c(C)c2)CC1 ZINC000045976237 967614344 /nfs/dbraw/zinc/61/43/44/967614344.db2.gz AFWKUVCRZXJJJB-NRFANRHFSA-N 2 1 415.626 3.913 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000553981814 1013735302 /nfs/dbraw/zinc/73/53/02/1013735302.db2.gz QDEMONKPYVYHSC-JKLQHZFJSA-N 2 1 409.599 3.884 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000553981814 1013735306 /nfs/dbraw/zinc/73/53/06/1013735306.db2.gz QDEMONKPYVYHSC-JKLQHZFJSA-N 2 1 409.599 3.884 20 0 HHADMP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2ccccc2N2CCCC2=O)CC1 ZINC000542941991 1013774869 /nfs/dbraw/zinc/77/48/69/1013774869.db2.gz IJQDXYYKGJGNTO-UHFFFAOYSA-N 2 1 414.594 3.586 20 0 HHADMP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)CC1 ZINC000542948212 1013780813 /nfs/dbraw/zinc/78/08/13/1013780813.db2.gz UNIOTMWNKOICKH-UHFFFAOYSA-N 2 1 414.594 3.584 20 0 HHADMP COc1cccc([C@@H](CNC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)[NH+](C)C)c1 ZINC000047936603 968371249 /nfs/dbraw/zinc/37/12/49/968371249.db2.gz KASWJWLPLUOWOB-HSZRJFAPSA-N 2 1 412.578 3.638 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000066010310 968768337 /nfs/dbraw/zinc/76/83/37/968768337.db2.gz BABWABKMUVCPSV-UHFFFAOYSA-N 2 1 410.631 3.767 20 0 HHADMP COc1ccc(CN(C)CC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1 ZINC000105187807 969225330 /nfs/dbraw/zinc/22/53/30/969225330.db2.gz BSGYGKYQRAIOQR-JOCHJYFZSA-N 2 1 415.965 3.734 20 0 HHADMP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000117347903 969948935 /nfs/dbraw/zinc/94/89/35/969948935.db2.gz SLDIFKVLXKNRFR-UHFFFAOYSA-N 2 1 409.574 3.674 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000228631470 970125974 /nfs/dbraw/zinc/12/59/74/970125974.db2.gz DUBYFEPKEWWISM-PZJWPPBQSA-N 2 1 411.512 3.678 20 0 HHADMP CCN1CC[NH+](CCCC[NH2+]Cc2c(C)nn(-c3cccc(Cl)c3)c2Cl)CC1 ZINC000236940534 970191952 /nfs/dbraw/zinc/19/19/52/970191952.db2.gz LIDAPLOFZCTBHT-UHFFFAOYSA-N 2 1 424.420 3.995 20 0 HHADMP CCOc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)ccc1OCC(=O)Nc1ccccc1 ZINC000236954575 970193912 /nfs/dbraw/zinc/19/39/12/970193912.db2.gz AOLWDZDTWZOLSV-HXUWFJFHSA-N 2 1 411.546 3.534 20 0 HHADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000237074257 970218003 /nfs/dbraw/zinc/21/80/03/970218003.db2.gz DQQPSYHLPKPRKU-UHFFFAOYSA-N 2 1 417.601 3.716 20 0 HHADMP CCc1oc2ccccc2c1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000237096617 970221216 /nfs/dbraw/zinc/22/12/16/970221216.db2.gz AJPPLEDTHGHJJJ-HXUWFJFHSA-N 2 1 405.542 3.982 20 0 HHADMP COCC[NH+]1CCC([NH2+]Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)CC1 ZINC000237124519 970227137 /nfs/dbraw/zinc/22/71/37/970227137.db2.gz TWCBHEXOSSEVLK-UHFFFAOYSA-N 2 1 402.510 3.614 20 0 HHADMP COCC[NH+]1CCC([NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000237129167 970228181 /nfs/dbraw/zinc/22/81/81/970228181.db2.gz IITCGKOUPDRTTM-UHFFFAOYSA-N 2 1 404.558 3.799 20 0 HHADMP Cn1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)c(-c2ccncc2)n1 ZINC000237179706 970236603 /nfs/dbraw/zinc/23/66/03/970236603.db2.gz HSHNXVRMLJRVBY-UHFFFAOYSA-N 2 1 401.514 3.997 20 0 HHADMP COCCC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000237211197 970242044 /nfs/dbraw/zinc/24/20/44/970242044.db2.gz BEONFSBJVUFVQA-UHFFFAOYSA-N 2 1 405.546 3.525 20 0 HHADMP COc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1OCc1ccccc1 ZINC000237353286 970268801 /nfs/dbraw/zinc/26/88/01/970268801.db2.gz BWVLCACUYDPQEC-JOCHJYFZSA-N 2 1 410.558 3.865 20 0 HHADMP C[C@@H]1CN(C(=O)c2ccc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cc2)C[C@@H](C)O1 ZINC000237558148 970312426 /nfs/dbraw/zinc/31/24/26/970312426.db2.gz QBPJCBFJCLICGL-NHCUHLMSSA-N 2 1 421.585 3.690 20 0 HHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000237672886 970335971 /nfs/dbraw/zinc/33/59/71/970335971.db2.gz FMONCGXWIXJDTN-IBGZPJMESA-N 2 1 416.997 3.792 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)C1 ZINC000237739173 970351050 /nfs/dbraw/zinc/35/10/50/970351050.db2.gz GCJMUSIZJNIMLS-NRFANRHFSA-N 2 1 405.586 3.856 20 0 HHADMP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000237855514 970381946 /nfs/dbraw/zinc/38/19/46/970381946.db2.gz NDKMSFMRVBWZDP-HXUWFJFHSA-N 2 1 404.986 3.528 20 0 HHADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(-c3cccc(Cl)c3Cl)o2)C1 ZINC000237913936 970393343 /nfs/dbraw/zinc/39/33/43/970393343.db2.gz CJYXHOZOOKXLHR-CQSZACIVSA-N 2 1 410.345 3.930 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(-c3cccc(Cl)c3Cl)o2)C1 ZINC000237913936 970393348 /nfs/dbraw/zinc/39/33/48/970393348.db2.gz CJYXHOZOOKXLHR-CQSZACIVSA-N 2 1 410.345 3.930 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000255957042 970609438 /nfs/dbraw/zinc/60/94/38/970609438.db2.gz LPZZQPMYULKADW-GCJKJVERSA-N 2 1 424.614 3.631 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000255957042 970609446 /nfs/dbraw/zinc/60/94/46/970609446.db2.gz LPZZQPMYULKADW-GCJKJVERSA-N 2 1 424.614 3.631 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000255957042 970609452 /nfs/dbraw/zinc/60/94/52/970609452.db2.gz LPZZQPMYULKADW-GCJKJVERSA-N 2 1 424.614 3.631 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000255957042 970609458 /nfs/dbraw/zinc/60/94/58/970609458.db2.gz LPZZQPMYULKADW-GCJKJVERSA-N 2 1 424.614 3.631 20 0 HHADMP COc1cccc([C@@H](CNC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)[NH+]2CCCC2)c1 ZINC000255958486 970610545 /nfs/dbraw/zinc/61/05/45/970610545.db2.gz XWGUUOPZAGNVJO-SIKLNZKXSA-N 2 1 416.610 3.642 20 0 HHADMP C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000554745621 1014036805 /nfs/dbraw/zinc/03/68/05/1014036805.db2.gz MTKWZVHWKGMNPP-AWEZNQCLSA-N 2 1 414.381 3.920 20 0 HHADMP C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000554745621 1014036809 /nfs/dbraw/zinc/03/68/09/1014036809.db2.gz MTKWZVHWKGMNPP-AWEZNQCLSA-N 2 1 414.381 3.920 20 0 HHADMP C[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381303941 972780245 /nfs/dbraw/zinc/78/02/45/972780245.db2.gz BHEAXQRKRQPIAP-LRQRDZAKSA-N 2 1 403.364 3.983 20 0 HHADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390561768 972826001 /nfs/dbraw/zinc/82/60/01/972826001.db2.gz ACKPTEOSJSXITQ-FGZHOGPDSA-N 2 1 419.610 3.664 20 0 HHADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390561768 972826009 /nfs/dbraw/zinc/82/60/09/972826009.db2.gz ACKPTEOSJSXITQ-FGZHOGPDSA-N 2 1 419.610 3.664 20 0 HHADMP CC[N@@H+](CCNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)CCC(F)(F)F ZINC000425990514 974103083 /nfs/dbraw/zinc/10/30/83/974103083.db2.gz MNQGLDRNZAJETI-GOSISDBHSA-N 2 1 414.516 3.567 20 0 HHADMP CC[NH+](CCNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)CCC(F)(F)F ZINC000425990514 974103089 /nfs/dbraw/zinc/10/30/89/974103089.db2.gz MNQGLDRNZAJETI-GOSISDBHSA-N 2 1 414.516 3.567 20 0 HHADMP CC[NH+](CCNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)CCC(F)(F)F ZINC000425990514 974103095 /nfs/dbraw/zinc/10/30/95/974103095.db2.gz MNQGLDRNZAJETI-GOSISDBHSA-N 2 1 414.516 3.567 20 0 HHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2ccnc2)C1 ZINC000426012225 974130248 /nfs/dbraw/zinc/13/02/48/974130248.db2.gz CGHFYUATANJIIN-QIJUGHKUSA-N 2 1 409.578 3.921 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C(C)(C)c1cccc(F)c1 ZINC000426636037 974575220 /nfs/dbraw/zinc/57/52/20/974575220.db2.gz CURGFALPFSVMPH-UHFFFAOYSA-N 2 1 403.586 3.758 20 0 HHADMP Cc1cc(C)c(NC(=O)C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC000426774531 974650817 /nfs/dbraw/zinc/65/08/17/974650817.db2.gz PCFGJWRWGKJECM-OYRHEFFESA-N 2 1 401.595 3.762 20 0 HHADMP Cc1cc(C)c(NC(=O)C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC000426774531 974650819 /nfs/dbraw/zinc/65/08/19/974650819.db2.gz PCFGJWRWGKJECM-OYRHEFFESA-N 2 1 401.595 3.762 20 0 HHADMP C[C@H]1C[C@@H](C(=O)N(Cc2ccccc2Br)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000426793923 974665176 /nfs/dbraw/zinc/66/51/76/974665176.db2.gz RWDPSOQDLPAPQH-IRXDYDNUSA-N 2 1 422.411 3.602 20 0 HHADMP COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426828972 974693965 /nfs/dbraw/zinc/69/39/65/974693965.db2.gz NDRVZEWWQOJPIR-HSALFYBXSA-N 2 1 417.594 3.542 20 0 HHADMP COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426828972 974693970 /nfs/dbraw/zinc/69/39/70/974693970.db2.gz NDRVZEWWQOJPIR-HSALFYBXSA-N 2 1 417.594 3.542 20 0 HHADMP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426830671 974696138 /nfs/dbraw/zinc/69/61/38/974696138.db2.gz ZZGIDGCEUYLVLY-BRWVUGGUSA-N 2 1 409.521 3.503 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)C[C@H](C)O1 ZINC000427356691 975074984 /nfs/dbraw/zinc/07/49/84/975074984.db2.gz HMPCUPNWGMIYKZ-OYRHEFFESA-N 2 1 413.606 3.634 20 0 HHADMP CNC(=O)c1cccc(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000428233811 975552643 /nfs/dbraw/zinc/55/26/43/975552643.db2.gz USPILPOFVBLRPK-CCDWMCETSA-N 2 1 405.586 3.869 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000428643788 975945815 /nfs/dbraw/zinc/94/58/15/975945815.db2.gz RUXYUPJVHQLNMD-MQSCRBSSSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000428643788 975945823 /nfs/dbraw/zinc/94/58/23/975945823.db2.gz RUXYUPJVHQLNMD-MQSCRBSSSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000428643788 975945830 /nfs/dbraw/zinc/94/58/30/975945830.db2.gz RUXYUPJVHQLNMD-MQSCRBSSSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000428914110 976215078 /nfs/dbraw/zinc/21/50/78/976215078.db2.gz XYNQQZDOJPQMQZ-AVRDEDQJSA-N 2 1 412.553 3.740 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)O[C@@H](C)C2)CC1 ZINC000428923097 976224752 /nfs/dbraw/zinc/22/47/52/976224752.db2.gz DJMRWTSJNGWGGY-RXVVDRJESA-N 2 1 413.528 3.883 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)O[C@@H](C)C2)CC1 ZINC000428923097 976224759 /nfs/dbraw/zinc/22/47/59/976224759.db2.gz DJMRWTSJNGWGGY-RXVVDRJESA-N 2 1 413.528 3.883 20 0 HHADMP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)COc3ccc(C(C)(C)c4ccccc4)cc3)C2)C1 ZINC000429003633 976283874 /nfs/dbraw/zinc/28/38/74/976283874.db2.gz CVOUWLNZOBCDPP-ZEQKJWHPSA-N 2 1 408.586 3.780 20 0 HHADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)COc3ccc(C(C)(C)c4ccccc4)cc3)C2)C1 ZINC000429003633 976283882 /nfs/dbraw/zinc/28/38/82/976283882.db2.gz CVOUWLNZOBCDPP-ZEQKJWHPSA-N 2 1 408.586 3.780 20 0 HHADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H](O)COc3ccc(C(C)(C)c4ccccc4)cc3)C2)C1 ZINC000429003633 976283894 /nfs/dbraw/zinc/28/38/94/976283894.db2.gz CVOUWLNZOBCDPP-ZEQKJWHPSA-N 2 1 408.586 3.780 20 0 HHADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H](O)COc3ccc(C(C)(C)c4ccccc4)cc3)C2)C1 ZINC000429003633 976283905 /nfs/dbraw/zinc/28/39/05/976283905.db2.gz CVOUWLNZOBCDPP-ZEQKJWHPSA-N 2 1 408.586 3.780 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000429085161 976370876 /nfs/dbraw/zinc/37/08/76/976370876.db2.gz YPKXCZDNYXVALO-LEWJYISDSA-N 2 1 423.605 3.817 20 0 HHADMP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1Cl ZINC000429406996 976683415 /nfs/dbraw/zinc/68/34/15/976683415.db2.gz JHEHYAROWHZYDG-QKNQBKEWSA-N 2 1 418.990 3.744 20 0 HHADMP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1Cl ZINC000429406996 976683424 /nfs/dbraw/zinc/68/34/24/976683424.db2.gz JHEHYAROWHZYDG-QKNQBKEWSA-N 2 1 418.990 3.744 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000429424963 976702557 /nfs/dbraw/zinc/70/25/57/976702557.db2.gz DSLIXUMNAQOVPO-JXFKEZNVSA-N 2 1 406.979 3.744 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000429424963 976702565 /nfs/dbraw/zinc/70/25/65/976702565.db2.gz DSLIXUMNAQOVPO-JXFKEZNVSA-N 2 1 406.979 3.744 20 0 HHADMP C[C@@H](C1CC1)n1cc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000429637059 976927541 /nfs/dbraw/zinc/92/75/41/976927541.db2.gz VKECDXUSHYNKBT-SFHVURJKSA-N 2 1 416.614 3.514 20 0 HHADMP COc1ccccc1-n1nccc1C[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000430003132 977264025 /nfs/dbraw/zinc/26/40/25/977264025.db2.gz PTFILMHEXIRDIG-BGYRXZFFSA-N 2 1 420.557 3.780 20 0 HHADMP C[C@@H](Cc1ccccc1F)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430672552 977683844 /nfs/dbraw/zinc/68/38/44/977683844.db2.gz VBVQPADHUPNIEU-IBGZPJMESA-N 2 1 403.586 3.659 20 0 HHADMP Cc1cc(F)cc2[nH]c(C(=O)N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)cc21 ZINC000430675537 977686669 /nfs/dbraw/zinc/68/66/69/977686669.db2.gz FNWNZOCIBPDGHG-UHFFFAOYSA-N 2 1 414.569 3.884 20 0 HHADMP CCCc1nc(C)c(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000430676354 977686849 /nfs/dbraw/zinc/68/68/49/977686849.db2.gz HQIQOVMKCWFETB-UHFFFAOYSA-N 2 1 406.640 3.672 20 0 HHADMP Cc1cc(C)cc(OCCC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430684441 977694177 /nfs/dbraw/zinc/69/41/77/977694177.db2.gz NIZMFEUDJWECMT-UHFFFAOYSA-N 2 1 415.622 3.727 20 0 HHADMP Cc1sc(NC(=O)C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(C)c1C ZINC000430912268 977881001 /nfs/dbraw/zinc/88/10/01/977881001.db2.gz GAYBAGHOSOWUBB-UHFFFAOYSA-N 2 1 420.667 3.740 20 0 HHADMP Cc1sc(NC(=O)C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(C)c1C ZINC000430912268 977881006 /nfs/dbraw/zinc/88/10/06/977881006.db2.gz GAYBAGHOSOWUBB-UHFFFAOYSA-N 2 1 420.667 3.740 20 0 HHADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(C)c1 ZINC000430925681 977890702 /nfs/dbraw/zinc/89/07/02/977890702.db2.gz LYAMJKJUPNEGQR-NRFANRHFSA-N 2 1 414.638 3.759 20 0 HHADMP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430933678 977898565 /nfs/dbraw/zinc/89/85/65/977898565.db2.gz LPORFZCTXPTMSM-LJQANCHMSA-N 2 1 411.594 3.926 20 0 HHADMP C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430951430 977910351 /nfs/dbraw/zinc/91/03/51/977910351.db2.gz LINIIZBMAUVNBF-NRFANRHFSA-N 2 1 418.670 3.510 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)Nc2cccc(OCC[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000431056862 977985981 /nfs/dbraw/zinc/98/59/81/977985981.db2.gz FPCDKRZROBBKJN-DENIHFKCSA-N 2 1 410.562 3.802 20 0 HHADMP Cc1cc(NC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n(C2CC[NH+](C)CC2)n1 ZINC000431157842 978058238 /nfs/dbraw/zinc/05/82/38/978058238.db2.gz ZBYICHMMXMDPOR-JOCHJYFZSA-N 2 1 424.593 3.587 20 0 HHADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000431405059 978278087 /nfs/dbraw/zinc/27/80/87/978278087.db2.gz QAHURCXCRWSHNO-FYYLOGMGSA-N 2 1 416.610 3.583 20 0 HHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000431662691 978419527 /nfs/dbraw/zinc/41/95/27/978419527.db2.gz RHMDGHUEWDUJIP-FPOVZHCZSA-N 2 1 401.599 3.559 20 0 HHADMP COc1cccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[NH+](C)C)c1 ZINC000431677029 978429891 /nfs/dbraw/zinc/42/98/91/978429891.db2.gz TVRKKCOPPRHJMX-APTRMMRNSA-N 2 1 424.589 3.650 20 0 HHADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(OC(F)F)c(Br)c2)CCCO1 ZINC000432360790 978777167 /nfs/dbraw/zinc/77/71/67/978777167.db2.gz XMIAVDUKODYKQA-ZDUSSCGKSA-N 2 1 407.299 3.641 20 0 HHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]CCC[N@@H+]3CCCO[C@H](C)C3)c2)cc1 ZINC000432365031 978779145 /nfs/dbraw/zinc/77/91/45/978779145.db2.gz PGQJQKGKZJZAHF-LJQANCHMSA-N 2 1 411.546 3.538 20 0 HHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]CCC[N@H+]3CCCO[C@H](C)C3)c2)cc1 ZINC000432365031 978779148 /nfs/dbraw/zinc/77/91/48/978779148.db2.gz PGQJQKGKZJZAHF-LJQANCHMSA-N 2 1 411.546 3.538 20 0 HHADMP COc1ccc(C[C@@H](C)C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1F ZINC000432882639 979000036 /nfs/dbraw/zinc/00/00/36/979000036.db2.gz BPSABKPWQUKFDF-DENIHFKCSA-N 2 1 400.538 3.894 20 0 HHADMP COc1ccc(C[C@@H](C)C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1F ZINC000432882639 979000043 /nfs/dbraw/zinc/00/00/43/979000043.db2.gz BPSABKPWQUKFDF-DENIHFKCSA-N 2 1 400.538 3.894 20 0 HHADMP C[C@@H](SCC[N@@H+](C)Cc1ccccc1)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000433018166 979043462 /nfs/dbraw/zinc/04/34/62/979043462.db2.gz FNKPVVHRHMMOJJ-NFBKMPQASA-N 2 1 411.615 3.631 20 0 HHADMP C[C@@H](SCC[NH+](C)Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000433018166 979043468 /nfs/dbraw/zinc/04/34/68/979043468.db2.gz FNKPVVHRHMMOJJ-NFBKMPQASA-N 2 1 411.615 3.631 20 0 HHADMP C[C@@H](SCC[NH+](C)Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000433018166 979043470 /nfs/dbraw/zinc/04/34/70/979043470.db2.gz FNKPVVHRHMMOJJ-NFBKMPQASA-N 2 1 411.615 3.631 20 0 HHADMP O=C(CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)NC(=O)Nc1ccccc1 ZINC000433126074 979086547 /nfs/dbraw/zinc/08/65/47/979086547.db2.gz BFRXATKKSZKFOV-UHFFFAOYSA-N 2 1 420.557 3.713 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000433363179 979256890 /nfs/dbraw/zinc/25/68/90/979256890.db2.gz GYUACTPSTAASHU-UPVQGACJSA-N 2 1 409.574 3.898 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1-c1csc(C)n1 ZINC000433816622 979597473 /nfs/dbraw/zinc/59/74/73/979597473.db2.gz XXGSABNQJZCXGO-SFHVURJKSA-N 2 1 415.607 3.998 20 0 HHADMP Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000434313603 980074107 /nfs/dbraw/zinc/07/41/07/980074107.db2.gz AVBAWMFHGXLFTB-IFMALSPDSA-N 2 1 409.578 3.842 20 0 HHADMP C[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1cccc(OCc2ccccc2)c1 ZINC000434782107 980396437 /nfs/dbraw/zinc/39/64/37/980396437.db2.gz FKLFSDYCJKXPKW-FQEVSTJZSA-N 2 1 417.557 3.658 20 0 HHADMP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000435062168 980606066 /nfs/dbraw/zinc/60/60/66/980606066.db2.gz XQWWEMCOQMYMHR-UHFFFAOYSA-N 2 1 405.502 3.718 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C[C@H](C)O1 ZINC000436276143 981281028 /nfs/dbraw/zinc/28/10/28/981281028.db2.gz RUHFQCIPHVFAOV-BGYRXZFFSA-N 2 1 422.548 3.970 20 0 HHADMP COc1cc(-c2noc(CCCCC[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)n2)ccc1O ZINC000436742519 981541400 /nfs/dbraw/zinc/54/14/00/981541400.db2.gz WMRJOFJTIYPCGY-GUDVDZBRSA-N 2 1 414.550 3.626 20 0 HHADMP Cn1cc[nH+]c1CC1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000448205405 981617364 /nfs/dbraw/zinc/61/73/64/981617364.db2.gz POMNISSNTRDXKX-NOTZXAQLSA-N 2 1 421.589 3.580 20 0 HHADMP Cn1cc[nH+]c1CC1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000448205405 981617367 /nfs/dbraw/zinc/61/73/67/981617367.db2.gz POMNISSNTRDXKX-NOTZXAQLSA-N 2 1 421.589 3.580 20 0 HHADMP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448208985 981623006 /nfs/dbraw/zinc/62/30/06/981623006.db2.gz MTAWTQIHVSFXRC-VWNXMTODSA-N 2 1 410.606 3.557 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000448210966 981624748 /nfs/dbraw/zinc/62/47/48/981624748.db2.gz DVAOOSSXJHFKGD-YMPZKCBVSA-N 2 1 400.611 3.707 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000448210966 981624751 /nfs/dbraw/zinc/62/47/51/981624751.db2.gz DVAOOSSXJHFKGD-YMPZKCBVSA-N 2 1 400.611 3.707 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000448210966 981624754 /nfs/dbraw/zinc/62/47/54/981624754.db2.gz DVAOOSSXJHFKGD-YMPZKCBVSA-N 2 1 400.611 3.707 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000448217957 981632492 /nfs/dbraw/zinc/63/24/92/981632492.db2.gz QXYJNPKXUKCHLJ-QPPBQGQZSA-N 2 1 410.606 3.618 20 0 HHADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C1 ZINC000448221243 981636027 /nfs/dbraw/zinc/63/60/27/981636027.db2.gz XIZUCDFUFOYMBV-IBGZPJMESA-N 2 1 422.564 3.596 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C1 ZINC000448221243 981636030 /nfs/dbraw/zinc/63/60/30/981636030.db2.gz XIZUCDFUFOYMBV-IBGZPJMESA-N 2 1 422.564 3.596 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)C1 ZINC000448365099 981725865 /nfs/dbraw/zinc/72/58/65/981725865.db2.gz HMVDPRRCKWLRGW-WOJBJXKFSA-N 2 1 402.583 3.569 20 0 HHADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000448365099 981725869 /nfs/dbraw/zinc/72/58/69/981725869.db2.gz HMVDPRRCKWLRGW-WOJBJXKFSA-N 2 1 402.583 3.569 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000448365099 981725874 /nfs/dbraw/zinc/72/58/74/981725874.db2.gz HMVDPRRCKWLRGW-WOJBJXKFSA-N 2 1 402.583 3.569 20 0 HHADMP C[C@H](c1cccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1)N1CCOCC1 ZINC000448371253 981730465 /nfs/dbraw/zinc/73/04/65/981730465.db2.gz MJURFIRPWPIHLF-KKLQWCBXSA-N 2 1 412.578 3.560 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000448463335 981797109 /nfs/dbraw/zinc/79/71/09/981797109.db2.gz ARKKLMMSFHHDJF-YYWHXJBOSA-N 2 1 407.002 3.849 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)[C@H](C)C1 ZINC000448464800 981798927 /nfs/dbraw/zinc/79/89/27/981798927.db2.gz GBZSIBCAHYRBRP-NFBKMPQASA-N 2 1 400.611 3.934 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000448467822 981804470 /nfs/dbraw/zinc/80/44/70/981804470.db2.gz RRYWRGSSIYFOQN-ACIOBRDBSA-N 2 1 400.611 3.831 20 0 HHADMP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448468582 981807437 /nfs/dbraw/zinc/80/74/37/981807437.db2.gz VIJZZKXPQPGEFO-UPVQGACJSA-N 2 1 410.606 3.831 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C1 ZINC000448475494 981817979 /nfs/dbraw/zinc/81/79/79/981817979.db2.gz TZOQYIXHENWVGO-HXUWFJFHSA-N 2 1 409.018 3.781 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000448520264 981847947 /nfs/dbraw/zinc/84/79/47/981847947.db2.gz IVCFJXBDVFNMIW-WOJBJXKFSA-N 2 1 423.605 3.541 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)[C@H](C)C1 ZINC000448521134 981849492 /nfs/dbraw/zinc/84/94/92/981849492.db2.gz NDXLWKGTFKTNFZ-VMBXEPDQSA-N 2 1 400.611 3.515 20 0 HHADMP CC(C)[NH+](CCCNC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C(C)C ZINC000460403536 982184880 /nfs/dbraw/zinc/18/48/80/982184880.db2.gz ROJQMABVCUNKCE-DHIUTWEWSA-N 2 1 400.611 3.659 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000437625077 982246254 /nfs/dbraw/zinc/24/62/54/982246254.db2.gz OEHBYIRMQKSWDB-KRWDZBQOSA-N 2 1 416.488 3.508 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000437644372 982264024 /nfs/dbraw/zinc/26/40/24/982264024.db2.gz VYFZRYGHGGHVEX-UPVQGACJSA-N 2 1 412.622 3.647 20 0 HHADMP O=C(NC[C@@H]1CC[NH+](CCc2ccccc2)C1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437644372 982264030 /nfs/dbraw/zinc/26/40/30/982264030.db2.gz VYFZRYGHGGHVEX-UPVQGACJSA-N 2 1 412.622 3.647 20 0 HHADMP O=C(NC[C@@H]1CC[NH+](CCc2ccccc2)C1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437644372 982264038 /nfs/dbraw/zinc/26/40/38/982264038.db2.gz VYFZRYGHGGHVEX-UPVQGACJSA-N 2 1 412.622 3.647 20 0 HHADMP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000437847559 982404467 /nfs/dbraw/zinc/40/44/67/982404467.db2.gz SGFAEQRCFUTSCL-KRWDZBQOSA-N 2 1 403.477 3.732 20 0 HHADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000437847559 982404470 /nfs/dbraw/zinc/40/44/70/982404470.db2.gz SGFAEQRCFUTSCL-KRWDZBQOSA-N 2 1 403.477 3.732 20 0 HHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000437922266 982464440 /nfs/dbraw/zinc/46/44/40/982464440.db2.gz SOIGIZPWMVZACG-WOJBJXKFSA-N 2 1 411.594 3.901 20 0 HHADMP Cc1ccc(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000438295738 982706570 /nfs/dbraw/zinc/70/65/70/982706570.db2.gz VTQXPRIUZODSML-JOCHJYFZSA-N 2 1 424.589 3.921 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000438327499 982725595 /nfs/dbraw/zinc/72/55/95/982725595.db2.gz XRAIYDBQILRXGQ-WWNPGLIZSA-N 2 1 413.610 3.513 20 0 HHADMP CN(C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438327499 982725598 /nfs/dbraw/zinc/72/55/98/982725598.db2.gz XRAIYDBQILRXGQ-WWNPGLIZSA-N 2 1 413.610 3.513 20 0 HHADMP CN(C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438327499 982725602 /nfs/dbraw/zinc/72/56/02/982725602.db2.gz XRAIYDBQILRXGQ-WWNPGLIZSA-N 2 1 413.610 3.513 20 0 HHADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000461260178 982966026 /nfs/dbraw/zinc/96/60/26/982966026.db2.gz CBMJYQZBEBHCPV-TZIWHRDSSA-N 2 1 411.512 3.774 20 0 HHADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000461260178 982966028 /nfs/dbraw/zinc/96/60/28/982966028.db2.gz CBMJYQZBEBHCPV-TZIWHRDSSA-N 2 1 411.512 3.774 20 0 HHADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000461260178 982966033 /nfs/dbraw/zinc/96/60/33/982966033.db2.gz CBMJYQZBEBHCPV-TZIWHRDSSA-N 2 1 411.512 3.774 20 0 HHADMP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461439681 983103901 /nfs/dbraw/zinc/10/39/01/983103901.db2.gz TYWUIIKMPWAKHV-XZOQPEGZSA-N 2 1 412.537 3.841 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000438841458 983109106 /nfs/dbraw/zinc/10/91/06/983109106.db2.gz PLKORUSQYKXKAN-NHCUHLMSSA-N 2 1 421.589 3.523 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000438841458 983109107 /nfs/dbraw/zinc/10/91/07/983109107.db2.gz PLKORUSQYKXKAN-NHCUHLMSSA-N 2 1 421.589 3.523 20 0 HHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000438865650 983130353 /nfs/dbraw/zinc/13/03/53/983130353.db2.gz RZHPEHZIJSNONN-UXHICEINSA-N 2 1 415.626 3.807 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000439194285 983303409 /nfs/dbraw/zinc/30/34/09/983303409.db2.gz VYIVLSIJADEUAK-YOSAUDMPSA-N 2 1 421.589 3.569 20 0 HHADMP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000439256242 983334669 /nfs/dbraw/zinc/33/46/69/983334669.db2.gz HLUFDVHVZHIMTE-LJQANCHMSA-N 2 1 408.999 3.778 20 0 HHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000439258266 983335210 /nfs/dbraw/zinc/33/52/10/983335210.db2.gz KKQRKAWQPFAJEJ-AABGKKOBSA-N 2 1 404.624 3.789 20 0 HHADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000439345768 983374021 /nfs/dbraw/zinc/37/40/21/983374021.db2.gz HFPUXBDCBLUPEV-FCHUYYIVSA-N 2 1 422.013 3.604 20 0 HHADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000439345768 983374030 /nfs/dbraw/zinc/37/40/30/983374030.db2.gz HFPUXBDCBLUPEV-FCHUYYIVSA-N 2 1 422.013 3.604 20 0 HHADMP COc1cccc([C@H](C)CC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000439903067 983577623 /nfs/dbraw/zinc/57/76/23/983577623.db2.gz OGJQZMSCMNHGEG-HXUWFJFHSA-N 2 1 415.622 3.844 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C[N@H+]1C1CC1 ZINC000440769832 983898447 /nfs/dbraw/zinc/89/84/47/983898447.db2.gz FYQDBNIJEBYKMH-PGRDOPGGSA-N 2 1 406.574 3.840 20 0 HHADMP Cc1c2cc(Cl)ccc2sc1C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000441353275 984203088 /nfs/dbraw/zinc/20/30/88/984203088.db2.gz VELUPDGPLCDOKY-UHFFFAOYSA-N 2 1 401.967 3.695 20 0 HHADMP O=C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccccc1Br ZINC000441392008 984226731 /nfs/dbraw/zinc/22/67/31/984226731.db2.gz ASASLRDFSPLGPZ-DNVCBOLYSA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccccc1Br ZINC000441392008 984226736 /nfs/dbraw/zinc/22/67/36/984226736.db2.gz ASASLRDFSPLGPZ-DNVCBOLYSA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccccc1Br ZINC000441392008 984226741 /nfs/dbraw/zinc/22/67/41/984226741.db2.gz ASASLRDFSPLGPZ-DNVCBOLYSA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccccc1Br ZINC000441392008 984226743 /nfs/dbraw/zinc/22/67/43/984226743.db2.gz ASASLRDFSPLGPZ-DNVCBOLYSA-N 2 1 406.368 3.726 20 0 HHADMP C[NH+](C)CC1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000441519727 984299907 /nfs/dbraw/zinc/29/99/07/984299907.db2.gz BCCVQMOPMSMUTO-KTKPDYKZSA-N 2 1 412.622 3.803 20 0 HHADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccnc(-c4ccc(Br)cc4)n3)CC[C@H]21 ZINC000441898055 984525128 /nfs/dbraw/zinc/52/51/28/984525128.db2.gz LYNLCMDUKIPLFA-VQIMIIECSA-N 2 1 401.352 3.822 20 0 HHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccnc(-c4ccc(Br)cc4)n3)CC[C@H]21 ZINC000441898055 984525131 /nfs/dbraw/zinc/52/51/31/984525131.db2.gz LYNLCMDUKIPLFA-VQIMIIECSA-N 2 1 401.352 3.822 20 0 HHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccnc(-c4ccc(Br)cc4)n3)CC[C@H]21 ZINC000441898055 984525137 /nfs/dbraw/zinc/52/51/37/984525137.db2.gz LYNLCMDUKIPLFA-VQIMIIECSA-N 2 1 401.352 3.822 20 0 HHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccnc(-c4ccc(Br)cc4)n3)CC[C@H]21 ZINC000441898055 984525141 /nfs/dbraw/zinc/52/51/41/984525141.db2.gz LYNLCMDUKIPLFA-VQIMIIECSA-N 2 1 401.352 3.822 20 0 HHADMP C[N@H+](Cc1ccccc1CNC(=O)c1cc(C[NH+]2CCCC2)on1)C1CCCCC1 ZINC000461928665 984936829 /nfs/dbraw/zinc/93/68/29/984936829.db2.gz NUMMXPZZRNSUPV-UHFFFAOYSA-N 2 1 410.562 3.965 20 0 HHADMP C[N@@H+](Cc1ccccc1CNC(=O)c1cc(C[NH+]2CCCC2)on1)C1CCCCC1 ZINC000461928665 984936838 /nfs/dbraw/zinc/93/68/38/984936838.db2.gz NUMMXPZZRNSUPV-UHFFFAOYSA-N 2 1 410.562 3.965 20 0 HHADMP C[C@H](c1cccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1)N1CCOCC1 ZINC000462255934 985240856 /nfs/dbraw/zinc/24/08/56/985240856.db2.gz RXJWQRYXJHRFEW-REHUZNOOSA-N 2 1 422.573 3.722 20 0 HHADMP CCN(C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462269589 985258267 /nfs/dbraw/zinc/25/82/67/985258267.db2.gz SIAIQXIPWYHZRS-HSZRJFAPSA-N 2 1 421.589 3.796 20 0 HHADMP CCN(C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462269589 985258281 /nfs/dbraw/zinc/25/82/81/985258281.db2.gz SIAIQXIPWYHZRS-HSZRJFAPSA-N 2 1 421.589 3.796 20 0 HHADMP C[C@@H](NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C(C)(C)C[NH+](C)C ZINC000443234615 985455967 /nfs/dbraw/zinc/45/59/67/985455967.db2.gz APJCULLSCFALCU-HYBUGGRVSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(C)(C)C[NH+](C)C ZINC000443236497 985456979 /nfs/dbraw/zinc/45/69/79/985456979.db2.gz GFLGBGVPZOUBJX-QAPCUYQASA-N 2 1 414.516 3.555 20 0 HHADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000462748610 985690014 /nfs/dbraw/zinc/69/00/14/985690014.db2.gz DQHHADQFIUWBCA-DNQXCXABSA-N 2 1 412.622 3.949 20 0 HHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC000462750038 985691052 /nfs/dbraw/zinc/69/10/52/985691052.db2.gz LQQHJSJVTZDQQI-DNQXCXABSA-N 2 1 412.622 3.662 20 0 HHADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000462750038 985691060 /nfs/dbraw/zinc/69/10/60/985691060.db2.gz LQQHJSJVTZDQQI-DNQXCXABSA-N 2 1 412.622 3.662 20 0 HHADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000462750038 985691068 /nfs/dbraw/zinc/69/10/68/985691068.db2.gz LQQHJSJVTZDQQI-DNQXCXABSA-N 2 1 412.622 3.662 20 0 HHADMP CC(=O)N1CC[NH+](CCOc2ccc(CC[NH2+][C@H]3C[C@H](C)CC(C)(C)C3)cc2)CC1 ZINC000462775598 985711678 /nfs/dbraw/zinc/71/16/78/985711678.db2.gz QIUILRQXJGIGPX-REWPJTCUSA-N 2 1 415.622 3.576 20 0 HHADMP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000443576322 985751635 /nfs/dbraw/zinc/75/16/35/985751635.db2.gz BCACTEPVXGPPNC-HXUWFJFHSA-N 2 1 404.624 3.867 20 0 HHADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000443576322 985751646 /nfs/dbraw/zinc/75/16/46/985751646.db2.gz BCACTEPVXGPPNC-HXUWFJFHSA-N 2 1 404.624 3.867 20 0 HHADMP COc1cc(NC(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c(OC)cc1Cl ZINC000443604120 985782102 /nfs/dbraw/zinc/78/21/02/985782102.db2.gz SIOZFZKVPUBMLK-UHFFFAOYSA-N 2 1 423.985 3.884 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N(C)[C@@H]3CC[NH+](C)C[C@@H]3C)cc2)C1 ZINC000443636092 985818723 /nfs/dbraw/zinc/81/87/23/985818723.db2.gz BJBJXKZNYHWKFP-FAKFISEUSA-N 2 1 400.611 3.646 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)[C@@H]3CC[N@H+](C)C[C@@H]3C)cc2)C1 ZINC000443636092 985818736 /nfs/dbraw/zinc/81/87/36/985818736.db2.gz BJBJXKZNYHWKFP-FAKFISEUSA-N 2 1 400.611 3.646 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)cc2)C1 ZINC000443636092 985818743 /nfs/dbraw/zinc/81/87/43/985818743.db2.gz BJBJXKZNYHWKFP-FAKFISEUSA-N 2 1 400.611 3.646 20 0 HHADMP C[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000468233650 985930928 /nfs/dbraw/zinc/93/09/28/985930928.db2.gz IXKOECNZOGTSSC-XZOQPEGZSA-N 2 1 411.977 3.720 20 0 HHADMP C[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000468233650 985930934 /nfs/dbraw/zinc/93/09/34/985930934.db2.gz IXKOECNZOGTSSC-XZOQPEGZSA-N 2 1 411.977 3.720 20 0 HHADMP C[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000468233650 985930945 /nfs/dbraw/zinc/93/09/45/985930945.db2.gz IXKOECNZOGTSSC-XZOQPEGZSA-N 2 1 411.977 3.720 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)c1 ZINC000468509750 986210845 /nfs/dbraw/zinc/21/08/45/986210845.db2.gz AWRWMIXXDUHAHS-DNQXCXABSA-N 2 1 407.558 3.773 20 0 HHADMP C[C@@H]1C[C@@H](NC[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000463244829 986213040 /nfs/dbraw/zinc/21/30/40/986213040.db2.gz YZRHPLGTLMCMEI-RZFJZAQRSA-N 2 1 407.602 3.920 20 0 HHADMP C[C@@H]1C[C@@H](NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC[NH+]1Cc1ccccc1 ZINC000463244829 986213049 /nfs/dbraw/zinc/21/30/49/986213049.db2.gz YZRHPLGTLMCMEI-RZFJZAQRSA-N 2 1 407.602 3.920 20 0 HHADMP C[C@@H]1C[C@@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC[NH+]1Cc1ccccc1 ZINC000463244829 986213057 /nfs/dbraw/zinc/21/30/57/986213057.db2.gz YZRHPLGTLMCMEI-RZFJZAQRSA-N 2 1 407.602 3.920 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000463272794 986240001 /nfs/dbraw/zinc/24/00/01/986240001.db2.gz UITXOFSDLUFHFI-SQJMNOBHSA-N 2 1 420.601 3.813 20 0 HHADMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)C1 ZINC000444136896 986326242 /nfs/dbraw/zinc/32/62/42/986326242.db2.gz YWOJZDYIAMCSCQ-GOSISDBHSA-N 2 1 405.546 3.537 20 0 HHADMP C[N@H+](CCCO)C1CC[NH+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000444153021 986335522 /nfs/dbraw/zinc/33/55/22/986335522.db2.gz PKHLASXAUCTART-UHFFFAOYSA-N 2 1 411.546 3.586 20 0 HHADMP C[N@@H+](CCCO)C1CC[NH+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000444153021 986335532 /nfs/dbraw/zinc/33/55/32/986335532.db2.gz PKHLASXAUCTART-UHFFFAOYSA-N 2 1 411.546 3.586 20 0 HHADMP CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000468686010 986397652 /nfs/dbraw/zinc/39/76/52/986397652.db2.gz BSUFWDJCKXMOSD-YLJYHZDGSA-N 2 1 412.981 3.845 20 0 HHADMP C[C@@H]1CCc2c(sc3nc(CC[N@@H+]4CC[C@H](C[NH+]5CCCCC5)C4)nc(N)c23)C1 ZINC000444218792 986402769 /nfs/dbraw/zinc/40/27/69/986402769.db2.gz VYGVHJMKWZGRKD-IAGOWNOFSA-N 2 1 413.635 3.749 20 0 HHADMP C[C@@H]1CCc2c(sc3nc(CC[N@H+]4CC[C@H](C[NH+]5CCCCC5)C4)nc(N)c23)C1 ZINC000444218792 986402777 /nfs/dbraw/zinc/40/27/77/986402777.db2.gz VYGVHJMKWZGRKD-IAGOWNOFSA-N 2 1 413.635 3.749 20 0 HHADMP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000468710224 986424631 /nfs/dbraw/zinc/42/46/31/986424631.db2.gz RNDLNRAGSQFOEP-JOCHJYFZSA-N 2 1 408.546 3.570 20 0 HHADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)cc2)CC1 ZINC000468796822 986506295 /nfs/dbraw/zinc/50/62/95/986506295.db2.gz BVGNJFQPYDMSKJ-UHFFFAOYSA-N 2 1 420.601 3.565 20 0 HHADMP CC(C)c1ccc(CC[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)cc1 ZINC000468831785 986542296 /nfs/dbraw/zinc/54/22/96/986542296.db2.gz DQRBTWLFVARART-UHFFFAOYSA-N 2 1 409.574 3.803 20 0 HHADMP O=C(c1cnn(-c2cc[nH+]cc2)c1C(F)F)N1CC[NH+](CC2CCCCC2)CC1 ZINC000468887681 986594630 /nfs/dbraw/zinc/59/46/30/986594630.db2.gz IOYDZZJNERPJTD-UHFFFAOYSA-N 2 1 403.477 3.543 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCc2ccccc2OCC[NH+](C)C)cc1 ZINC000444581762 986769262 /nfs/dbraw/zinc/76/92/62/986769262.db2.gz HWLCGTTWARLCLB-SFHVURJKSA-N 2 1 421.545 3.682 20 0 HHADMP O=C(Nc1ccc(Br)cc1)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000444621141 986806084 /nfs/dbraw/zinc/80/60/84/986806084.db2.gz QVMCNXSFCRBSID-UHFFFAOYSA-N 2 1 408.384 3.976 20 0 HHADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000469113469 986829068 /nfs/dbraw/zinc/82/90/68/986829068.db2.gz YTHQXWSJCZCGDE-BFYDXBDKSA-N 2 1 403.477 3.682 20 0 HHADMP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CC[NH+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444719351 986893895 /nfs/dbraw/zinc/89/38/95/986893895.db2.gz QSIKBQNPTBOQHK-XZOQPEGZSA-N 2 1 410.606 3.844 20 0 HHADMP O=C(N[C@H]1CC[NH+]2CCC[C@@H]2C1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444719351 986893906 /nfs/dbraw/zinc/89/39/06/986893906.db2.gz QSIKBQNPTBOQHK-XZOQPEGZSA-N 2 1 410.606 3.844 20 0 HHADMP O=C(N[C@H]1CC[NH+]2CCC[C@@H]2C1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444719351 986893914 /nfs/dbraw/zinc/89/39/14/986893914.db2.gz QSIKBQNPTBOQHK-XZOQPEGZSA-N 2 1 410.606 3.844 20 0 HHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000469425003 987113242 /nfs/dbraw/zinc/11/32/42/987113242.db2.gz VJZMRSMYOHAGPR-XMMPIXPASA-N 2 1 423.605 3.502 20 0 HHADMP C[C@@H](CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)[N@H+](C)Cc1ccccc1 ZINC000469554266 987225596 /nfs/dbraw/zinc/22/55/96/987225596.db2.gz MXUFKXVWDFPKMH-INIZCTEOSA-N 2 1 413.472 3.845 20 0 HHADMP C[C@@H](CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)[N@@H+](C)Cc1ccccc1 ZINC000469554266 987225600 /nfs/dbraw/zinc/22/56/00/987225600.db2.gz MXUFKXVWDFPKMH-INIZCTEOSA-N 2 1 413.472 3.845 20 0 HHADMP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[N@@H+](Cc4ccccc4)C[C@H]3C)cc2)CC1 ZINC000469696420 987354021 /nfs/dbraw/zinc/35/40/21/987354021.db2.gz UXRXEZOQTSZFKL-JOCHJYFZSA-N 2 1 420.601 3.565 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000469756817 987409930 /nfs/dbraw/zinc/40/99/30/987409930.db2.gz IJYMTCSUVGDFMC-JGQIHZOTSA-N 2 1 402.966 3.826 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000469756852 987409947 /nfs/dbraw/zinc/40/99/47/987409947.db2.gz IUMAZLIRSRNMIS-XMZFGDCGSA-N 2 1 423.557 3.533 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000469756852 987409951 /nfs/dbraw/zinc/40/99/51/987409951.db2.gz IUMAZLIRSRNMIS-XMZFGDCGSA-N 2 1 423.557 3.533 20 0 HHADMP CCOc1ccc(OC[C@@H](O)C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000469779091 987427046 /nfs/dbraw/zinc/42/70/46/987427046.db2.gz HBHNGYLZYAPFIG-FOTFPPMPSA-N 2 1 412.574 3.571 20 0 HHADMP COc1ccc2c(c1)CCCN2C(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000469783024 987429277 /nfs/dbraw/zinc/42/92/77/987429277.db2.gz IRRZKOUUOXRIIW-WAQNLRHXSA-N 2 1 421.585 3.721 20 0 HHADMP COc1ccc2c(c1)CCCN2C(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000469783024 987429281 /nfs/dbraw/zinc/42/92/81/987429281.db2.gz IRRZKOUUOXRIIW-WAQNLRHXSA-N 2 1 421.585 3.721 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cccs1 ZINC000463972357 988084385 /nfs/dbraw/zinc/08/43/85/988084385.db2.gz VYWKAIUOSXLMSK-FRQCXROJSA-N 2 1 406.621 3.795 20 0 HHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000470229108 988162021 /nfs/dbraw/zinc/16/20/21/988162021.db2.gz AHXCEHLUKZDXFH-IFMALSPDSA-N 2 1 423.523 3.631 20 0 HHADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000470229108 988162031 /nfs/dbraw/zinc/16/20/31/988162031.db2.gz AHXCEHLUKZDXFH-IFMALSPDSA-N 2 1 423.523 3.631 20 0 HHADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000470229108 988162035 /nfs/dbraw/zinc/16/20/35/988162035.db2.gz AHXCEHLUKZDXFH-IFMALSPDSA-N 2 1 423.523 3.631 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(-c2nc(C)co2)ccc1C ZINC000470268607 988218246 /nfs/dbraw/zinc/21/82/46/988218246.db2.gz NKWFWWXDGHNPSM-FQEVSTJZSA-N 2 1 413.566 3.838 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1 ZINC000470279397 988234227 /nfs/dbraw/zinc/23/42/27/988234227.db2.gz KKWHRVNOQXTDJZ-LPHOPBHVSA-N 2 1 414.516 3.681 20 0 HHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000470282844 988238718 /nfs/dbraw/zinc/23/87/18/988238718.db2.gz LKCSQHPANUWOLL-PKTZIBPZSA-N 2 1 400.611 3.516 20 0 HHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000470282844 988238726 /nfs/dbraw/zinc/23/87/26/988238726.db2.gz LKCSQHPANUWOLL-PKTZIBPZSA-N 2 1 400.611 3.516 20 0 HHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000470282844 988238731 /nfs/dbraw/zinc/23/87/31/988238731.db2.gz LKCSQHPANUWOLL-PKTZIBPZSA-N 2 1 400.611 3.516 20 0 HHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000470288080 988245915 /nfs/dbraw/zinc/24/59/15/988245915.db2.gz RSUOWORFSLYXLP-XZOQPEGZSA-N 2 1 400.611 3.803 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000470551099 988562644 /nfs/dbraw/zinc/56/26/44/988562644.db2.gz IEDSCRDBHJZPNM-NRFANRHFSA-N 2 1 400.526 3.841 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)c1 ZINC000470731332 988763778 /nfs/dbraw/zinc/76/37/78/988763778.db2.gz DSJIULXPIVWWME-DEOSSOPVSA-N 2 1 408.590 3.944 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000470731332 988763787 /nfs/dbraw/zinc/76/37/87/988763787.db2.gz DSJIULXPIVWWME-DEOSSOPVSA-N 2 1 408.590 3.944 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000470731332 988763798 /nfs/dbraw/zinc/76/37/98/988763798.db2.gz DSJIULXPIVWWME-DEOSSOPVSA-N 2 1 408.590 3.944 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H](C[NH+](C)CC4CC4)C3)cc2)C1 ZINC000470738019 988774791 /nfs/dbraw/zinc/77/47/91/988774791.db2.gz RTUPOORHIKECDX-YKSBVNFPSA-N 2 1 412.622 3.792 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CC[C@@H](C[N@H+](C)CC4CC4)C3)cc2)C1 ZINC000470738019 988774800 /nfs/dbraw/zinc/77/48/00/988774800.db2.gz RTUPOORHIKECDX-YKSBVNFPSA-N 2 1 412.622 3.792 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CC[C@@H](C[N@@H+](C)CC4CC4)C3)cc2)C1 ZINC000470738019 988774814 /nfs/dbraw/zinc/77/48/14/988774814.db2.gz RTUPOORHIKECDX-YKSBVNFPSA-N 2 1 412.622 3.792 20 0 HHADMP CN(C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470739211 988777026 /nfs/dbraw/zinc/77/70/26/988777026.db2.gz YVDLOCVXPZMXKE-VXKWHMMOSA-N 2 1 410.562 3.723 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000470749459 988790511 /nfs/dbraw/zinc/79/05/11/988790511.db2.gz NZUHEJPXRHNTRW-BHIFYINESA-N 2 1 412.622 3.792 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000470749458 988790659 /nfs/dbraw/zinc/79/06/59/988790659.db2.gz NZUHEJPXRHNTRW-BDTNDASRSA-N 2 1 412.622 3.792 20 0 HHADMP C[C@@H](CNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000470900625 988975684 /nfs/dbraw/zinc/97/56/84/988975684.db2.gz QUOPFMZWXSBENT-URXFXBBRSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@@H](CNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000470900625 988975706 /nfs/dbraw/zinc/97/57/06/988975706.db2.gz QUOPFMZWXSBENT-URXFXBBRSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@@H](CNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000470900625 988975712 /nfs/dbraw/zinc/97/57/12/988975712.db2.gz QUOPFMZWXSBENT-URXFXBBRSA-N 2 1 408.590 3.813 20 0 HHADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C1 ZINC000464768943 988992911 /nfs/dbraw/zinc/99/29/11/988992911.db2.gz CPOWRDYQTIVXKW-FGZHOGPDSA-N 2 1 403.636 3.635 20 0 HHADMP CCS[C@@H]1CC[C@@H]([NH+](C)CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)C1 ZINC000464768943 988992919 /nfs/dbraw/zinc/99/29/19/988992919.db2.gz CPOWRDYQTIVXKW-FGZHOGPDSA-N 2 1 403.636 3.635 20 0 HHADMP CCS[C@@H]1CC[C@@H]([NH+](C)CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)C1 ZINC000464768943 988992928 /nfs/dbraw/zinc/99/29/28/988992928.db2.gz CPOWRDYQTIVXKW-FGZHOGPDSA-N 2 1 403.636 3.635 20 0 HHADMP CC[C@@](C)([NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1nc(C)cs1 ZINC000464802051 989031690 /nfs/dbraw/zinc/03/16/90/989031690.db2.gz LYXFUIXITFJJHM-HSZRJFAPSA-N 2 1 414.619 3.756 20 0 HHADMP CC[C@](C)([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1nc(C)cs1 ZINC000464804980 989035193 /nfs/dbraw/zinc/03/51/93/989035193.db2.gz KOLXNPAUQDMHNF-QFIPXVFZSA-N 2 1 400.592 3.579 20 0 HHADMP COc1ccccc1N1CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)C1=O ZINC000464984588 989289713 /nfs/dbraw/zinc/28/97/13/989289713.db2.gz OITATTAEDBBUNQ-JOCHJYFZSA-N 2 1 419.525 3.815 20 0 HHADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000471231013 989375718 /nfs/dbraw/zinc/37/57/18/989375718.db2.gz BVFOHYRQUQZKBX-GUYCJALGSA-N 2 1 400.336 3.579 20 0 HHADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000471231013 989375723 /nfs/dbraw/zinc/37/57/23/989375723.db2.gz BVFOHYRQUQZKBX-GUYCJALGSA-N 2 1 400.336 3.579 20 0 HHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000471231013 989375730 /nfs/dbraw/zinc/37/57/30/989375730.db2.gz BVFOHYRQUQZKBX-GUYCJALGSA-N 2 1 400.336 3.579 20 0 HHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(Br)cc2F)[C@H](C)C1 ZINC000471231011 989376101 /nfs/dbraw/zinc/37/61/01/989376101.db2.gz BVFOHYRQUQZKBX-CXAGYDPISA-N 2 1 400.336 3.579 20 0 HHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(Br)cc2F)[C@H](C)C1 ZINC000471231011 989376112 /nfs/dbraw/zinc/37/61/12/989376112.db2.gz BVFOHYRQUQZKBX-CXAGYDPISA-N 2 1 400.336 3.579 20 0 HHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(Br)cc2F)[C@H](C)C1 ZINC000471231011 989376126 /nfs/dbraw/zinc/37/61/26/989376126.db2.gz BVFOHYRQUQZKBX-CXAGYDPISA-N 2 1 400.336 3.579 20 0 HHADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000465076683 989396340 /nfs/dbraw/zinc/39/63/40/989396340.db2.gz DZACQNLKCNXZAE-FQEVSTJZSA-N 2 1 407.002 3.535 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000465076683 989396347 /nfs/dbraw/zinc/39/63/47/989396347.db2.gz DZACQNLKCNXZAE-FQEVSTJZSA-N 2 1 407.002 3.535 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000465076683 989396351 /nfs/dbraw/zinc/39/63/51/989396351.db2.gz DZACQNLKCNXZAE-FQEVSTJZSA-N 2 1 407.002 3.535 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000465076683 989396361 /nfs/dbraw/zinc/39/63/61/989396361.db2.gz DZACQNLKCNXZAE-FQEVSTJZSA-N 2 1 407.002 3.535 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000465425850 989769627 /nfs/dbraw/zinc/76/96/27/989769627.db2.gz BZODTCGPBKYXDR-LPHOPBHVSA-N 2 1 414.516 3.824 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000465427305 989772510 /nfs/dbraw/zinc/77/25/10/989772510.db2.gz ISGJCDQGFBPFQF-DEOSSOPVSA-N 2 1 420.601 3.815 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)[NH+](C)C ZINC000465429225 989773222 /nfs/dbraw/zinc/77/32/22/989773222.db2.gz FNEWKMHUSCLJMM-NFBKMPQASA-N 2 1 424.589 3.604 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+](C)C ZINC000465429225 989773226 /nfs/dbraw/zinc/77/32/26/989773226.db2.gz FNEWKMHUSCLJMM-NFBKMPQASA-N 2 1 424.589 3.604 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000465430295 989775511 /nfs/dbraw/zinc/77/55/11/989775511.db2.gz GZZLNGWVANCJRP-ONTIZHBOSA-N 2 1 414.619 3.603 20 0 HHADMP C[NH+](C)C1(CNC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CCCCC1 ZINC000465449307 989789989 /nfs/dbraw/zinc/78/99/89/989789989.db2.gz YAMLBDCELSGTRJ-UHFFFAOYSA-N 2 1 412.578 3.975 20 0 HHADMP C[NH+](C)C1(CNC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CCCCC1 ZINC000465449307 989789996 /nfs/dbraw/zinc/78/99/96/989789996.db2.gz YAMLBDCELSGTRJ-UHFFFAOYSA-N 2 1 412.578 3.975 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(Cl)cc1Cl ZINC000465456714 989796588 /nfs/dbraw/zinc/79/65/88/989796588.db2.gz NLKSWTLKZKDHLB-KRWDZBQOSA-N 2 1 401.382 3.551 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(Cl)cc1Cl ZINC000465456715 989796693 /nfs/dbraw/zinc/79/66/93/989796693.db2.gz NLKSWTLKZKDHLB-QGZVFWFLSA-N 2 1 401.382 3.551 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccccc1 ZINC000465459411 989799500 /nfs/dbraw/zinc/79/95/00/989799500.db2.gz UKHKTGQGEMODAN-SBHAEUEKSA-N 2 1 400.592 3.733 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000471598684 989801879 /nfs/dbraw/zinc/80/18/79/989801879.db2.gz LRQSDICNEGRMQZ-UPVQGACJSA-N 2 1 406.574 3.645 20 0 HHADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000465528960 989887396 /nfs/dbraw/zinc/88/73/96/989887396.db2.gz UXCWELJHVWUBGE-NHCUHLMSSA-N 2 1 407.002 3.993 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)[NH+]1CCCC[C@H]1C ZINC000465530013 989890208 /nfs/dbraw/zinc/89/02/08/989890208.db2.gz XYXNTLFRXBQKCP-MQSCRBSSSA-N 2 1 400.611 3.803 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000465530013 989890219 /nfs/dbraw/zinc/89/02/19/989890219.db2.gz XYXNTLFRXBQKCP-MQSCRBSSSA-N 2 1 400.611 3.803 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000465530013 989890223 /nfs/dbraw/zinc/89/02/23/989890223.db2.gz XYXNTLFRXBQKCP-MQSCRBSSSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465534354 989895931 /nfs/dbraw/zinc/89/59/31/989895931.db2.gz PZWZLRNASAZTAL-MQSCRBSSSA-N 2 1 400.611 3.518 20 0 HHADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000465534730 989896488 /nfs/dbraw/zinc/89/64/88/989896488.db2.gz SSMFMSITXTYKTR-ZRCGQRJVSA-N 2 1 400.611 3.790 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000471732967 989929468 /nfs/dbraw/zinc/92/94/68/989929468.db2.gz BBMWFEREGRUONW-VWLOTQADSA-N 2 1 420.601 3.720 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465588035 989964345 /nfs/dbraw/zinc/96/43/45/989964345.db2.gz DEVRTLDJGSKSPW-AOHZBQACSA-N 2 1 414.638 3.908 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465588035 989964360 /nfs/dbraw/zinc/96/43/60/989964360.db2.gz DEVRTLDJGSKSPW-AOHZBQACSA-N 2 1 414.638 3.908 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465588035 989964372 /nfs/dbraw/zinc/96/43/72/989964372.db2.gz DEVRTLDJGSKSPW-AOHZBQACSA-N 2 1 414.638 3.908 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000465593678 989973166 /nfs/dbraw/zinc/97/31/66/989973166.db2.gz GUHFJLLCPHGERW-SVFBPWRDSA-N 2 1 406.640 3.942 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000465593678 989973174 /nfs/dbraw/zinc/97/31/74/989973174.db2.gz GUHFJLLCPHGERW-SVFBPWRDSA-N 2 1 406.640 3.942 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000465593678 989973186 /nfs/dbraw/zinc/97/31/86/989973186.db2.gz GUHFJLLCPHGERW-SVFBPWRDSA-N 2 1 406.640 3.942 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000465604666 989986631 /nfs/dbraw/zinc/98/66/31/989986631.db2.gz QLSHPTRIPGNTBB-HSZRJFAPSA-N 2 1 420.601 3.946 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCc3sccc3C2)CC[N@@H+]1C ZINC000465605487 989987480 /nfs/dbraw/zinc/98/74/80/989987480.db2.gz PZTFJSKIGUGIOQ-DUXKGJEZSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCc3sccc3C2)CC[N@H+]1C ZINC000465605487 989987490 /nfs/dbraw/zinc/98/74/90/989987490.db2.gz PZTFJSKIGUGIOQ-DUXKGJEZSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC[NH+]1C ZINC000465605487 989987503 /nfs/dbraw/zinc/98/75/03/989987503.db2.gz PZTFJSKIGUGIOQ-DUXKGJEZSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CC[NH+]1C ZINC000465605487 989987512 /nfs/dbraw/zinc/98/75/12/989987512.db2.gz PZTFJSKIGUGIOQ-DUXKGJEZSA-N 2 1 412.603 3.629 20 0 HHADMP C[N@@H+](CCCNC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1)Cc1ccccc1 ZINC000465617851 990003966 /nfs/dbraw/zinc/00/39/66/990003966.db2.gz DPLUOXJESIUMTF-IFMALSPDSA-N 2 1 414.619 3.952 20 0 HHADMP C[NH+](CCCNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)Cc1ccccc1 ZINC000465617851 990003973 /nfs/dbraw/zinc/00/39/73/990003973.db2.gz DPLUOXJESIUMTF-IFMALSPDSA-N 2 1 414.619 3.952 20 0 HHADMP C[NH+](CCCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)Cc1ccccc1 ZINC000465617851 990003983 /nfs/dbraw/zinc/00/39/83/990003983.db2.gz DPLUOXJESIUMTF-IFMALSPDSA-N 2 1 414.619 3.952 20 0 HHADMP C[C@H](CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000465689191 990074172 /nfs/dbraw/zinc/07/41/72/990074172.db2.gz GRSYZEOBADOTTQ-FYYLOGMGSA-N 2 1 420.601 3.597 20 0 HHADMP C[C@H](CNC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000465689191 990074182 /nfs/dbraw/zinc/07/41/82/990074182.db2.gz GRSYZEOBADOTTQ-FYYLOGMGSA-N 2 1 420.601 3.597 20 0 HHADMP C[C@H](CNC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000465689191 990074192 /nfs/dbraw/zinc/07/41/92/990074192.db2.gz GRSYZEOBADOTTQ-FYYLOGMGSA-N 2 1 420.601 3.597 20 0 HHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000471916574 990083638 /nfs/dbraw/zinc/08/36/38/990083638.db2.gz WYQPDPQAZRTXAE-UNMCSNQZSA-N 2 1 408.590 3.937 20 0 HHADMP CCCC[NH+]1CCC(NC(=O)N(CC)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000465784594 990167050 /nfs/dbraw/zinc/16/70/50/990167050.db2.gz QBWZZAAHWVSYAG-QFIPXVFZSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCCC[NH+]2Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000465869170 990981935 /nfs/dbraw/zinc/98/19/35/990981935.db2.gz HEMHACMSKBVIKB-QMMLZNLJSA-N 2 1 407.002 3.819 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCCC[NH+]2Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000465869170 990981942 /nfs/dbraw/zinc/98/19/42/990981942.db2.gz HEMHACMSKBVIKB-QMMLZNLJSA-N 2 1 407.002 3.819 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC[NH+]1C ZINC000465869170 990981946 /nfs/dbraw/zinc/98/19/46/990981946.db2.gz HEMHACMSKBVIKB-QMMLZNLJSA-N 2 1 407.002 3.819 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC[NH+]1C ZINC000465869170 990981951 /nfs/dbraw/zinc/98/19/51/990981951.db2.gz HEMHACMSKBVIKB-QMMLZNLJSA-N 2 1 407.002 3.819 20 0 HHADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000465891711 991017200 /nfs/dbraw/zinc/01/72/00/991017200.db2.gz QIZBRPGKUJIMRL-XALAGWIPSA-N 2 1 410.606 3.746 20 0 HHADMP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000465891711 991017209 /nfs/dbraw/zinc/01/72/09/991017209.db2.gz QIZBRPGKUJIMRL-XALAGWIPSA-N 2 1 410.606 3.746 20 0 HHADMP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000465891711 991017214 /nfs/dbraw/zinc/01/72/14/991017214.db2.gz QIZBRPGKUJIMRL-XALAGWIPSA-N 2 1 410.606 3.746 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000465939982 991077956 /nfs/dbraw/zinc/07/79/56/991077956.db2.gz JLEITZLMIZCFHI-QHCPKHFHSA-N 2 1 400.611 3.792 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N3CCC[N@H+](CC4CCCCC4)CC3)CC2)[nH+]c1 ZINC000465953430 991092454 /nfs/dbraw/zinc/09/24/54/991092454.db2.gz AMWUECWJLSSBFY-UHFFFAOYSA-N 2 1 413.610 3.656 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N3CCC[N@@H+](CC4CCCCC4)CC3)CC2)[nH+]c1 ZINC000465953430 991092461 /nfs/dbraw/zinc/09/24/61/991092461.db2.gz AMWUECWJLSSBFY-UHFFFAOYSA-N 2 1 413.610 3.656 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N3CCC[C@@H](C[NH+]4CCCCCC4)C3)CC2)[nH+]c1 ZINC000465952980 991092691 /nfs/dbraw/zinc/09/26/91/991092691.db2.gz IVLWSUVGTNWSFD-NRFANRHFSA-N 2 1 413.610 3.656 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N3CCC[C@H](C[N@H+]4CCCC[C@H]4C)C3)CC2)[nH+]c1 ZINC000465958000 991100048 /nfs/dbraw/zinc/10/00/48/991100048.db2.gz NNOBZEDAQRPUOB-NHCUHLMSSA-N 2 1 413.610 3.655 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)CC2)[nH+]c1 ZINC000465958000 991100054 /nfs/dbraw/zinc/10/00/54/991100054.db2.gz NNOBZEDAQRPUOB-NHCUHLMSSA-N 2 1 413.610 3.655 20 0 HHADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C1 ZINC000466019179 991186906 /nfs/dbraw/zinc/18/69/06/991186906.db2.gz URPLGJDYOHXKND-FQEVSTJZSA-N 2 1 412.578 3.785 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C1 ZINC000466019179 991186911 /nfs/dbraw/zinc/18/69/11/991186911.db2.gz URPLGJDYOHXKND-FQEVSTJZSA-N 2 1 412.578 3.785 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C1 ZINC000466019179 991186915 /nfs/dbraw/zinc/18/69/15/991186915.db2.gz URPLGJDYOHXKND-FQEVSTJZSA-N 2 1 412.578 3.785 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000466019179 991186920 /nfs/dbraw/zinc/18/69/20/991186920.db2.gz URPLGJDYOHXKND-FQEVSTJZSA-N 2 1 412.578 3.785 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)[C@@H]1c1cccs1 ZINC000466073660 991246670 /nfs/dbraw/zinc/24/66/70/991246670.db2.gz DKIVWGXNWBAVJW-SVFBPWRDSA-N 2 1 404.624 3.695 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)[C@@H]1c1cccs1 ZINC000466073660 991246680 /nfs/dbraw/zinc/24/66/80/991246680.db2.gz DKIVWGXNWBAVJW-SVFBPWRDSA-N 2 1 404.624 3.695 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)[C@@H]1c1cccs1 ZINC000466073660 991246694 /nfs/dbraw/zinc/24/66/94/991246694.db2.gz DKIVWGXNWBAVJW-SVFBPWRDSA-N 2 1 404.624 3.695 20 0 HHADMP Cc1c(-c2cc(C[NH+]3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)on2)cnn1C ZINC000466232783 991458502 /nfs/dbraw/zinc/45/85/02/991458502.db2.gz UGOXPSJHLUWJJC-UHFFFAOYSA-N 2 1 405.546 3.872 20 0 HHADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000466731641 992041554 /nfs/dbraw/zinc/04/15/54/992041554.db2.gz QRCBNKCBAHXKCS-MRXNPFEDSA-N 2 1 404.942 3.885 20 0 HHADMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000466733035 992042209 /nfs/dbraw/zinc/04/22/09/992042209.db2.gz NZEMQURPATTYNT-INIZCTEOSA-N 2 1 415.500 3.855 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000467086518 992391957 /nfs/dbraw/zinc/39/19/57/992391957.db2.gz UVAUSKFLYBGBSB-PXDATVDWSA-N 2 1 422.617 3.985 20 0 HHADMP C[NH+](C)CCc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000467097111 992402659 /nfs/dbraw/zinc/40/26/59/992402659.db2.gz VYKSQXRFHSBDRX-RBBKRZOGSA-N 2 1 414.619 3.735 20 0 HHADMP CCS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000467413927 992717461 /nfs/dbraw/zinc/71/74/61/992717461.db2.gz PAMDOVNBSFXGLC-QPTUXGOLSA-N 2 1 412.599 3.871 20 0 HHADMP CCS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000467413927 992717468 /nfs/dbraw/zinc/71/74/68/992717468.db2.gz PAMDOVNBSFXGLC-QPTUXGOLSA-N 2 1 412.599 3.871 20 0 HHADMP Cc1cccc(N2CCC([NH2+][C@@H](C)CCCCN3C(=O)c4ccccc4C3=O)CC2)[nH+]1 ZINC000472157869 993209038 /nfs/dbraw/zinc/20/90/38/993209038.db2.gz OQMVEXPHCBGMSR-SFHVURJKSA-N 2 1 420.557 3.803 20 0 HHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000472258473 993284158 /nfs/dbraw/zinc/28/41/58/993284158.db2.gz KEQNVNFFQKQGRB-NVXWUHKLSA-N 2 1 416.393 3.603 20 0 HHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000472258473 993284165 /nfs/dbraw/zinc/28/41/65/993284165.db2.gz KEQNVNFFQKQGRB-NVXWUHKLSA-N 2 1 416.393 3.603 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000472304409 993316918 /nfs/dbraw/zinc/31/69/18/993316918.db2.gz GJGZFYWZYGESIY-DEOSSOPVSA-N 2 1 412.622 3.806 20 0 HHADMP C[C@H](c1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000472330315 993339945 /nfs/dbraw/zinc/33/99/45/993339945.db2.gz UMHBARQZOMPWSY-LEOXJPRUSA-N 2 1 408.546 3.647 20 0 HHADMP C[C@H](c1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000472330315 993339949 /nfs/dbraw/zinc/33/99/49/993339949.db2.gz UMHBARQZOMPWSY-LEOXJPRUSA-N 2 1 408.546 3.647 20 0 HHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000480778993 993645824 /nfs/dbraw/zinc/64/58/24/993645824.db2.gz JIPBEBKVOUVWDE-PXDATVDWSA-N 2 1 403.574 3.902 20 0 HHADMP COc1cc(F)c([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1OC ZINC000480797800 993666698 /nfs/dbraw/zinc/66/66/98/993666698.db2.gz RNHOMIFEZLSWMK-GCJKJVERSA-N 2 1 415.553 3.872 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)[C@@H](C)C1 ZINC000480908921 993765401 /nfs/dbraw/zinc/76/54/01/993765401.db2.gz LBOAOPMONVJXQX-CVDCTZTESA-N 2 1 410.562 3.561 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)[C@@H](C)C1 ZINC000480908921 993765411 /nfs/dbraw/zinc/76/54/11/993765411.db2.gz LBOAOPMONVJXQX-CVDCTZTESA-N 2 1 410.562 3.561 20 0 HHADMP C[C@@H](CCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000472908416 993835141 /nfs/dbraw/zinc/83/51/41/993835141.db2.gz PCULECCCRCFNJQ-NRFANRHFSA-N 2 1 408.590 3.861 20 0 HHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOc3ccc(I)cc32)C1 ZINC000481049815 993892904 /nfs/dbraw/zinc/89/29/04/993892904.db2.gz NTWYNDPLLKTXOJ-WMLDXEAASA-N 2 1 414.331 3.826 20 0 HHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(-c4c(OC)ccc5ccccc54)no3)C2)CC1 ZINC000481122045 993957177 /nfs/dbraw/zinc/95/71/77/993957177.db2.gz VJMFBRMFHTUZPH-FQEVSTJZSA-N 2 1 420.557 3.715 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000481168571 993998922 /nfs/dbraw/zinc/99/89/22/993998922.db2.gz MOBLXNJEJZPAGY-VQIMIIECSA-N 2 1 405.995 3.860 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000481168571 993998934 /nfs/dbraw/zinc/99/89/34/993998934.db2.gz MOBLXNJEJZPAGY-VQIMIIECSA-N 2 1 405.995 3.860 20 0 HHADMP CC(C)Oc1ccc(CCNC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481186322 994018178 /nfs/dbraw/zinc/01/81/78/994018178.db2.gz XURPMCXJMVLQPN-OFVILXPXSA-N 2 1 423.601 3.633 20 0 HHADMP CC(C)Oc1ccc(CCNC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481186322 994018185 /nfs/dbraw/zinc/01/81/85/994018185.db2.gz XURPMCXJMVLQPN-OFVILXPXSA-N 2 1 423.601 3.633 20 0 HHADMP Cc1ccc(CN(C(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C2CC2)cc1 ZINC000481187029 994019415 /nfs/dbraw/zinc/01/94/15/994019415.db2.gz GSLLIFNPFDUPNY-PXDATVDWSA-N 2 1 405.586 3.986 20 0 HHADMP Cc1ccc(CN(C(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C2CC2)cc1 ZINC000481187029 994019425 /nfs/dbraw/zinc/01/94/25/994019425.db2.gz GSLLIFNPFDUPNY-PXDATVDWSA-N 2 1 405.586 3.986 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000481189284 994021302 /nfs/dbraw/zinc/02/13/02/994021302.db2.gz MAXVRWZFSWIUGJ-JXFKEZNVSA-N 2 1 403.473 3.727 20 0 HHADMP C/C=C/c1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(OC)c1 ZINC000481202464 994036100 /nfs/dbraw/zinc/03/61/00/994036100.db2.gz SNVDDLNEQGNZKD-INJYRCFNSA-N 2 1 424.585 3.968 20 0 HHADMP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1NC(C)=O ZINC000481551813 994384924 /nfs/dbraw/zinc/38/49/24/994384924.db2.gz JPXSQAOVTDRGKZ-QZTJIDSGSA-N 2 1 411.546 3.725 20 0 HHADMP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1NC(C)=O ZINC000481551813 994384935 /nfs/dbraw/zinc/38/49/35/994384935.db2.gz JPXSQAOVTDRGKZ-QZTJIDSGSA-N 2 1 411.546 3.725 20 0 HHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481667678 994527948 /nfs/dbraw/zinc/52/79/48/994527948.db2.gz HCZJAOFXLHPKFX-QFBILLFUSA-N 2 1 416.031 3.657 20 0 HHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481667678 994527960 /nfs/dbraw/zinc/52/79/60/994527960.db2.gz HCZJAOFXLHPKFX-QFBILLFUSA-N 2 1 416.031 3.657 20 0 HHADMP CC[C@@H]([NH2+]CCC[NH+](C(C)C)C(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481677318 994537125 /nfs/dbraw/zinc/53/71/25/994537125.db2.gz ZOKJNVHJEGFVLD-GOSISDBHSA-N 2 1 404.020 3.798 20 0 HHADMP CCN(C(=O)NC[C@@H]1CC[NH+](CC(C)C)C1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473746593 994650948 /nfs/dbraw/zinc/65/09/48/994650948.db2.gz HECISPNXNWHFNW-GIWBLDEGSA-N 2 1 400.611 3.831 20 0 HHADMP CCN(C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000473746593 994650954 /nfs/dbraw/zinc/65/09/54/994650954.db2.gz HECISPNXNWHFNW-GIWBLDEGSA-N 2 1 400.611 3.831 20 0 HHADMP CCN(C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000473746593 994650961 /nfs/dbraw/zinc/65/09/61/994650961.db2.gz HECISPNXNWHFNW-GIWBLDEGSA-N 2 1 400.611 3.831 20 0 HHADMP CCCC[NH+]1CCC([NH2+][C@H](CC)c2ccc(Cl)c(S(=O)(=O)NC)c2)CC1 ZINC000481921698 994793572 /nfs/dbraw/zinc/79/35/72/994793572.db2.gz NVAUSLPZQIBVLE-GOSISDBHSA-N 2 1 402.004 3.553 20 0 HHADMP CCN(C(=O)NC1CC[NH+](CC(C)C)CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473875470 994819226 /nfs/dbraw/zinc/81/92/26/994819226.db2.gz NQMMYUMBTFMZGI-NZQKXSOJSA-N 2 1 400.611 3.974 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000473878265 994823384 /nfs/dbraw/zinc/82/33/84/994823384.db2.gz SKARPONZOLAZKC-QEFHDYNCSA-N 2 1 408.590 3.745 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000473889075 994840305 /nfs/dbraw/zinc/84/03/05/994840305.db2.gz ZWQURZLICPTROC-ZPFZUWPUSA-N 2 1 414.638 3.954 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCCCC[NH+]1CCC[C@H](C)C1 ZINC000473889075 994840313 /nfs/dbraw/zinc/84/03/13/994840313.db2.gz ZWQURZLICPTROC-ZPFZUWPUSA-N 2 1 414.638 3.954 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCCCC[NH+]1CCC[C@H](C)C1 ZINC000473889075 994840322 /nfs/dbraw/zinc/84/03/22/994840322.db2.gz ZWQURZLICPTROC-ZPFZUWPUSA-N 2 1 414.638 3.954 20 0 HHADMP COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)CC[N@H+]2C2CC2)c1 ZINC000482050410 994975742 /nfs/dbraw/zinc/97/57/42/994975742.db2.gz PMWMXXQLPLMMLU-WUMKDDEVSA-N 2 1 411.590 3.744 20 0 HHADMP COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CC[NH+]2C2CC2)c1 ZINC000482050410 994975758 /nfs/dbraw/zinc/97/57/58/994975758.db2.gz PMWMXXQLPLMMLU-WUMKDDEVSA-N 2 1 411.590 3.744 20 0 HHADMP COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)CC[NH+]2C2CC2)c1 ZINC000482050410 994975771 /nfs/dbraw/zinc/97/57/71/994975771.db2.gz PMWMXXQLPLMMLU-WUMKDDEVSA-N 2 1 411.590 3.744 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)c3ccncc3)cc2)[C@H](C)C1 ZINC000482124485 995073099 /nfs/dbraw/zinc/07/30/99/995073099.db2.gz YRNKSDRPOSJHSW-XXBNENTESA-N 2 1 410.562 3.561 20 0 HHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000482158088 995113547 /nfs/dbraw/zinc/11/35/47/995113547.db2.gz RFXOMUNQRBTIJW-JAXLGGSGSA-N 2 1 414.619 3.839 20 0 HHADMP CC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccccc1Br ZINC000482235670 995218680 /nfs/dbraw/zinc/21/86/80/995218680.db2.gz RGDVZNLEEHOELV-FQEVSTJZSA-N 2 1 418.379 3.981 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cc(Br)ccc1F ZINC000482251189 995231474 /nfs/dbraw/zinc/23/14/74/995231474.db2.gz WURZGDHOWXVMJL-CQSZACIVSA-N 2 1 422.342 3.730 20 0 HHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)C2)CC1 ZINC000474307914 995295862 /nfs/dbraw/zinc/29/58/62/995295862.db2.gz SVDAMXJTOMPDJG-GGAORHGYSA-N 2 1 401.570 3.761 20 0 HHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)C2)CC1 ZINC000474307914 995295873 /nfs/dbraw/zinc/29/58/73/995295873.db2.gz SVDAMXJTOMPDJG-GGAORHGYSA-N 2 1 401.570 3.761 20 0 HHADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000482356368 995336570 /nfs/dbraw/zinc/33/65/70/995336570.db2.gz KKGGZPNJYOHKFF-IBGZPJMESA-N 2 1 410.400 3.526 20 0 HHADMP CC1(C)CC([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC(C)(C)[NH2+]1 ZINC000474363880 995343968 /nfs/dbraw/zinc/34/39/68/995343968.db2.gz XXMCXNWNTPNFRU-UHFFFAOYSA-N 2 1 410.400 3.685 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CC=CCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000474366952 995346710 /nfs/dbraw/zinc/34/67/10/995346710.db2.gz OQHNPUYYZRZBIE-UYAOXDASSA-N 2 1 424.511 3.649 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)NCC[N@H+]2CC=CCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000474366952 995346718 /nfs/dbraw/zinc/34/67/18/995346718.db2.gz OQHNPUYYZRZBIE-UYAOXDASSA-N 2 1 424.511 3.649 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)NCC[N@@H+]2CC=CCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000474366952 995346725 /nfs/dbraw/zinc/34/67/25/995346725.db2.gz OQHNPUYYZRZBIE-UYAOXDASSA-N 2 1 424.511 3.649 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)[C@H](C)C1 ZINC000482455079 995456021 /nfs/dbraw/zinc/45/60/21/995456021.db2.gz FTLIQTXJOGZUIW-QFUCXCTJSA-N 2 1 424.427 3.754 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)C[C@@H]1C ZINC000474505786 995465372 /nfs/dbraw/zinc/46/53/72/995465372.db2.gz LADZWZXIEHOSNC-JBPLPALLSA-N 2 1 400.611 3.657 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000474516419 995480165 /nfs/dbraw/zinc/48/01/65/995480165.db2.gz JRKBTFBYPWCQGM-SJBKTWHCSA-N 2 1 400.611 3.659 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000474525608 995490905 /nfs/dbraw/zinc/49/09/05/995490905.db2.gz RHUMYYMBKSIFEL-SKWRMQMOSA-N 2 1 400.611 3.516 20 0 HHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000474525608 995490913 /nfs/dbraw/zinc/49/09/13/995490913.db2.gz RHUMYYMBKSIFEL-SKWRMQMOSA-N 2 1 400.611 3.516 20 0 HHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000474525608 995490918 /nfs/dbraw/zinc/49/09/18/995490918.db2.gz RHUMYYMBKSIFEL-SKWRMQMOSA-N 2 1 400.611 3.516 20 0 HHADMP C[N@H+]1CC[C@@H](CNC(=O)NC2CC([NH+]3CCCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474557007 995522069 /nfs/dbraw/zinc/52/20/69/995522069.db2.gz JZAHXLXZJGBXMV-GHQDRPGLSA-N 2 1 422.976 3.788 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474557012 995522351 /nfs/dbraw/zinc/52/23/51/995522351.db2.gz JZAHXLXZJGBXMV-XFYJMZHFSA-N 2 1 422.976 3.788 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000474634052 995580569 /nfs/dbraw/zinc/58/05/69/995580569.db2.gz LFJMODYHQFACJM-ODMAOCJESA-N 2 1 420.548 3.805 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000474634052 995580579 /nfs/dbraw/zinc/58/05/79/995580579.db2.gz LFJMODYHQFACJM-ODMAOCJESA-N 2 1 420.548 3.805 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482609189 995606766 /nfs/dbraw/zinc/60/67/66/995606766.db2.gz QXUOBIVBWHXDQZ-DHIUTWEWSA-N 2 1 409.578 3.668 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482609189 995606770 /nfs/dbraw/zinc/60/67/70/995606770.db2.gz QXUOBIVBWHXDQZ-DHIUTWEWSA-N 2 1 409.578 3.668 20 0 HHADMP CCc1nc2c(s1)[C@H]([NH2+]Cc1cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c1)CCC2 ZINC000482621722 995617098 /nfs/dbraw/zinc/61/70/98/995617098.db2.gz UCCFEAIFZKDBPU-RTBURBONSA-N 2 1 412.603 3.570 20 0 HHADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c1)CCC2 ZINC000482631652 995625806 /nfs/dbraw/zinc/62/58/06/995625806.db2.gz OEJPZPVRRUNVIU-QPPBQGQZSA-N 2 1 407.558 3.560 20 0 HHADMP CCc1nc(C)c([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000482634147 995628184 /nfs/dbraw/zinc/62/81/84/995628184.db2.gz ISQAOKKMCLXNFS-KXBFYZLASA-N 2 1 400.592 3.562 20 0 HHADMP C[C@@H](c1nnc(-c2ccccc2F)s1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000482707005 995694748 /nfs/dbraw/zinc/69/47/48/995694748.db2.gz NWBUDHDTFVKSLY-INIZCTEOSA-N 2 1 404.555 3.982 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@H](C)[C@H](c3ccccc3C)[NH+](C)C)CC2)cs1 ZINC000474786924 995710920 /nfs/dbraw/zinc/71/09/20/995710920.db2.gz CVKDJYPFVBOFJS-VGOFRKELSA-N 2 1 414.619 3.780 20 0 HHADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2c(F)ccc(I)c2F)c1 ZINC000474884644 995777584 /nfs/dbraw/zinc/77/75/84/995777584.db2.gz BJNWNQBHGGHIJL-UHFFFAOYSA-N 2 1 416.253 3.921 20 0 HHADMP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)CCC3)cc1 ZINC000482874771 995808705 /nfs/dbraw/zinc/80/87/05/995808705.db2.gz PJRCZSYNAWQUBO-AZUAARDMSA-N 2 1 415.603 3.879 20 0 HHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000482882332 995815005 /nfs/dbraw/zinc/81/50/05/995815005.db2.gz AJYIPJLBYHXXLF-QHCPKHFHSA-N 2 1 415.528 3.781 20 0 HHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3nnn(-c4ccccc4)c3C)CC2)oc1C ZINC000482883356 995815685 /nfs/dbraw/zinc/81/56/85/995815685.db2.gz ILXQGKMJPWXXGM-QGZVFWFLSA-N 2 1 408.550 3.743 20 0 HHADMP CN(C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475006870 995863533 /nfs/dbraw/zinc/86/35/33/995863533.db2.gz AIRGRGOJXUALKV-VXKWHMMOSA-N 2 1 410.562 3.723 20 0 HHADMP CN(C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475006869 995863559 /nfs/dbraw/zinc/86/35/59/995863559.db2.gz AIRGRGOJXUALKV-FGZHOGPDSA-N 2 1 410.562 3.723 20 0 HHADMP CN(C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475015811 995871753 /nfs/dbraw/zinc/87/17/53/995871753.db2.gz KLLJINOZIUAJMS-NHCUHLMSSA-N 2 1 412.603 3.801 20 0 HHADMP CN(C(=O)NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475018143 995873586 /nfs/dbraw/zinc/87/35/86/995873586.db2.gz RBANMOBKEQJVDI-XMMPIXPASA-N 2 1 406.574 3.698 20 0 HHADMP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1)C1CCC(C(F)(F)F)CC1 ZINC000475083649 995911175 /nfs/dbraw/zinc/91/11/75/995911175.db2.gz BGVQZJYJTYYLMM-WXGPCXSOSA-N 2 1 417.495 3.806 20 0 HHADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475117557 995933139 /nfs/dbraw/zinc/93/31/39/995933139.db2.gz HJUIGOCAJLCWDK-WIOPSUGQSA-N 2 1 410.606 3.701 20 0 HHADMP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475117557 995933143 /nfs/dbraw/zinc/93/31/43/995933143.db2.gz HJUIGOCAJLCWDK-WIOPSUGQSA-N 2 1 410.606 3.701 20 0 HHADMP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475117557 995933146 /nfs/dbraw/zinc/93/31/46/995933146.db2.gz HJUIGOCAJLCWDK-WIOPSUGQSA-N 2 1 410.606 3.701 20 0 HHADMP CN(C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475130570 995941742 /nfs/dbraw/zinc/94/17/42/995941742.db2.gz QPDSBHJPKBVCEM-DNQXCXABSA-N 2 1 406.574 3.739 20 0 HHADMP CCN(C(=O)NC[C@H]1CCC[NH+](CC(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475165240 995965083 /nfs/dbraw/zinc/96/50/83/995965083.db2.gz RBKFCPYAKGNJDD-DHIUTWEWSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475165240 995965091 /nfs/dbraw/zinc/96/50/91/995965091.db2.gz RBKFCPYAKGNJDD-DHIUTWEWSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475165240 995965097 /nfs/dbraw/zinc/96/50/97/995965097.db2.gz RBKFCPYAKGNJDD-DHIUTWEWSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475171223 995969475 /nfs/dbraw/zinc/96/94/75/995969475.db2.gz DAOVPPXWINEYOZ-DEOSSOPVSA-N 2 1 421.589 3.604 20 0 HHADMP CCN(C(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475184751 995981336 /nfs/dbraw/zinc/98/13/36/995981336.db2.gz UVURZQWQBZVKJD-SFLYRZDNSA-N 2 1 412.622 3.945 20 0 HHADMP CCN(C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475184751 995981343 /nfs/dbraw/zinc/98/13/43/995981343.db2.gz UVURZQWQBZVKJD-SFLYRZDNSA-N 2 1 412.622 3.945 20 0 HHADMP CCN(C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475184751 995981350 /nfs/dbraw/zinc/98/13/50/995981350.db2.gz UVURZQWQBZVKJD-SFLYRZDNSA-N 2 1 412.622 3.945 20 0 HHADMP Cc1ccc(NCCCNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)[nH+]c1 ZINC000475256129 996028401 /nfs/dbraw/zinc/02/84/01/996028401.db2.gz DRJDDUPXRYJBJQ-GOTSBHOMSA-N 2 1 421.589 3.888 20 0 HHADMP Cc1ccc(NCCCNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)[nH+]c1 ZINC000475256129 996028407 /nfs/dbraw/zinc/02/84/07/996028407.db2.gz DRJDDUPXRYJBJQ-GOTSBHOMSA-N 2 1 421.589 3.888 20 0 HHADMP CC(C)CC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000475280103 996042133 /nfs/dbraw/zinc/04/21/33/996042133.db2.gz NFAATSSRURUGQC-HSZRJFAPSA-N 2 1 400.611 3.660 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475317980 996067047 /nfs/dbraw/zinc/06/70/47/996067047.db2.gz HFJQKCOSFHSSSL-JOCHJYFZSA-N 2 1 412.622 3.647 20 0 HHADMP CC[NH+]1CCN(c2ccccc2CNC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000475346660 996081813 /nfs/dbraw/zinc/08/18/13/996081813.db2.gz OUMVWWLDBPDBMC-UHFFFAOYSA-N 2 1 424.555 3.723 20 0 HHADMP C[N@H+]1CCC[C@H]2CN(CC(=O)N(CCc3ccccc3)Cc3ccccc3)CC[C@H]21 ZINC000483470819 996200956 /nfs/dbraw/zinc/20/09/56/996200956.db2.gz HEQWYXXKXMWSMR-LOSJGSFVSA-N 2 1 405.586 3.674 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1)c1cccc(OC)c1 ZINC000483705949 996339427 /nfs/dbraw/zinc/33/94/27/996339427.db2.gz DDIOXJQQPUQPKK-KAGYGMCKSA-N 2 1 404.599 3.592 20 0 HHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000483739464 996359108 /nfs/dbraw/zinc/35/91/08/996359108.db2.gz GOIDKBQYBXNQCP-CDXJDZJCSA-N 2 1 421.632 3.732 20 0 HHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000483739464 996359109 /nfs/dbraw/zinc/35/91/09/996359109.db2.gz GOIDKBQYBXNQCP-CDXJDZJCSA-N 2 1 421.632 3.732 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2cccc(Br)c2)[C@@H](C)C1 ZINC000483814922 996405655 /nfs/dbraw/zinc/40/56/55/996405655.db2.gz HCZXCNZOQYKJHE-QKLQHJQFSA-N 2 1 413.400 3.943 20 0 HHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000475891052 996448040 /nfs/dbraw/zinc/44/80/40/996448040.db2.gz FRIPJCJINONQAX-PGRDOPGGSA-N 2 1 411.594 3.600 20 0 HHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000475891052 996448047 /nfs/dbraw/zinc/44/80/47/996448047.db2.gz FRIPJCJINONQAX-PGRDOPGGSA-N 2 1 411.594 3.600 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475891526 996448639 /nfs/dbraw/zinc/44/86/39/996448639.db2.gz JLVDUBGYHNFVRZ-HYBUGGRVSA-N 2 1 409.578 3.525 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475891526 996448642 /nfs/dbraw/zinc/44/86/42/996448642.db2.gz JLVDUBGYHNFVRZ-HYBUGGRVSA-N 2 1 409.578 3.525 20 0 HHADMP C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000483982766 996505152 /nfs/dbraw/zinc/50/51/52/996505152.db2.gz VQUPAVWYHORLGT-XUZZJYLKSA-N 2 1 420.601 3.992 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCC[NH+](C)Cc2ccc(F)cc2)C1 ZINC000484024145 996528012 /nfs/dbraw/zinc/52/80/12/996528012.db2.gz IEBCPJZQHIZJIL-CTNGQTDRSA-N 2 1 404.574 3.554 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000484024145 996528016 /nfs/dbraw/zinc/52/80/16/996528016.db2.gz IEBCPJZQHIZJIL-CTNGQTDRSA-N 2 1 404.574 3.554 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000484024145 996528023 /nfs/dbraw/zinc/52/80/23/996528023.db2.gz IEBCPJZQHIZJIL-CTNGQTDRSA-N 2 1 404.574 3.554 20 0 HHADMP C[C@H]([NH2+]C1(CN[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCOCC1)c1ccccc1 ZINC000484124681 996583614 /nfs/dbraw/zinc/58/36/14/996583614.db2.gz DIDLJAHUZPITEI-SLSDLSHTSA-N 2 1 422.617 3.782 20 0 HHADMP C[C@H]([NH2+]C1(CN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCOCC1)c1ccccc1 ZINC000484124681 996583621 /nfs/dbraw/zinc/58/36/21/996583621.db2.gz DIDLJAHUZPITEI-SLSDLSHTSA-N 2 1 422.617 3.782 20 0 HHADMP C[NH+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000484702646 997040922 /nfs/dbraw/zinc/04/09/22/997040922.db2.gz KHMHNZSRTSXJOW-OAHLLOKOSA-N 2 1 413.393 3.551 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](C[NH+](C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000484713083 997052757 /nfs/dbraw/zinc/05/27/57/997052757.db2.gz WUTKRIYSZZJWSU-YSSFQJQWSA-N 2 1 410.965 3.596 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](C[NH+](C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000484713083 997052771 /nfs/dbraw/zinc/05/27/71/997052771.db2.gz WUTKRIYSZZJWSU-YSSFQJQWSA-N 2 1 410.965 3.596 20 0 HHADMP C[C@@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000476710740 997252435 /nfs/dbraw/zinc/25/24/35/997252435.db2.gz VVYMZARWMLOGEL-ICSRJNTNSA-N 2 1 400.592 3.705 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccsc1 ZINC000476728043 997277885 /nfs/dbraw/zinc/27/78/85/997277885.db2.gz PICAGXRFOOPEOY-NHCUHLMSSA-N 2 1 400.592 3.561 20 0 HHADMP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000477011409 997644331 /nfs/dbraw/zinc/64/43/31/997644331.db2.gz YFNINTOIJUYDQH-GHTZIAJQSA-N 2 1 403.929 3.964 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)NCc3ccccc3C[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000485293926 997697220 /nfs/dbraw/zinc/69/72/20/997697220.db2.gz OSDLZIGLYVRUTO-NRFANRHFSA-N 2 1 421.589 3.796 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)NCc3ccccc3C[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000485293926 997697223 /nfs/dbraw/zinc/69/72/23/997697223.db2.gz OSDLZIGLYVRUTO-NRFANRHFSA-N 2 1 421.589 3.796 20 0 HHADMP C[C@@H](C(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000477069422 997717828 /nfs/dbraw/zinc/71/78/28/997717828.db2.gz QVTQVPBVKFZCAZ-QFIPXVFZSA-N 2 1 417.597 3.948 20 0 HHADMP C[C@@H](C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)[NH+]1CCc2ccccc2C1 ZINC000477069422 997717837 /nfs/dbraw/zinc/71/78/37/997717837.db2.gz QVTQVPBVKFZCAZ-QFIPXVFZSA-N 2 1 417.597 3.948 20 0 HHADMP C[C@@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)[NH+]1CCc2ccccc2C1 ZINC000477069422 997717848 /nfs/dbraw/zinc/71/78/48/997717848.db2.gz QVTQVPBVKFZCAZ-QFIPXVFZSA-N 2 1 417.597 3.948 20 0 HHADMP C[NH+]1CCC[C@H]2C[NH+](Cc3ccc(C[NH+]4CC[C@H]5[C@H](CCC[N@@H+]5C)C4)cc3)CC[C@H]21 ZINC000485336068 997752339 /nfs/dbraw/zinc/75/23/39/997752339.db2.gz IDFOOGRQCOZFHU-FATVKVNYSA-N 4 1 410.650 3.519 20 0 HHADMP C[NH+]1CCC[C@H]2C[NH+](Cc3ccc(C[N@@H+]4CC[C@H]5[C@H](CCC[NH+]5C)C4)cc3)CC[C@H]21 ZINC000485336068 997752345 /nfs/dbraw/zinc/75/23/45/997752345.db2.gz IDFOOGRQCOZFHU-FATVKVNYSA-N 4 1 410.650 3.519 20 0 HHADMP C[NH+]1CCC[C@H]2C[NH+](Cc3ccc(C[N@H+]4CC[C@H]5[C@H](CCC[NH+]5C)C4)cc3)CC[C@H]21 ZINC000485336068 997752349 /nfs/dbraw/zinc/75/23/49/997752349.db2.gz IDFOOGRQCOZFHU-FATVKVNYSA-N 4 1 410.650 3.519 20 0 HHADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[NH+]2Cc2cccc(Cl)c2)C1 ZINC000485388567 997816125 /nfs/dbraw/zinc/81/61/25/997816125.db2.gz NGUSCICITXJSJG-FPOVZHCZSA-N 2 1 407.002 3.678 20 0 HHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[NH+]2Cc2cccc(Cl)c2)C1 ZINC000485388567 997816131 /nfs/dbraw/zinc/81/61/31/997816131.db2.gz NGUSCICITXJSJG-FPOVZHCZSA-N 2 1 407.002 3.678 20 0 HHADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC000485388567 997816144 /nfs/dbraw/zinc/81/61/44/997816144.db2.gz NGUSCICITXJSJG-FPOVZHCZSA-N 2 1 407.002 3.678 20 0 HHADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000485388567 997816157 /nfs/dbraw/zinc/81/61/57/997816157.db2.gz NGUSCICITXJSJG-FPOVZHCZSA-N 2 1 407.002 3.678 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000477251382 997926819 /nfs/dbraw/zinc/92/68/19/997926819.db2.gz PNOIVEQRWRXYQU-DIMPSALBSA-N 2 1 410.606 3.842 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000485486403 997939129 /nfs/dbraw/zinc/93/91/29/997939129.db2.gz CKAHXRPJYZHPIA-RPWUZVMVSA-N 2 1 412.622 3.805 20 0 HHADMP CC[NH+](CC)CCSCC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477440115 998138652 /nfs/dbraw/zinc/13/86/52/998138652.db2.gz QSVJWCFGBIOTNI-OXQOHEQNSA-N 2 1 416.006 3.663 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1ccc(C(F)(F)F)cc1 ZINC000485965946 998406378 /nfs/dbraw/zinc/40/63/78/998406378.db2.gz IIXFJYRMWRPNPJ-MSOLQXFVSA-N 2 1 417.541 3.642 20 0 HHADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000486180871 998624660 /nfs/dbraw/zinc/62/46/60/998624660.db2.gz TYUGTNUMRYDRMD-QAPCUYQASA-N 2 1 405.493 3.835 20 0 HHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000486217883 998654560 /nfs/dbraw/zinc/65/45/60/998654560.db2.gz BSDHBSDBIIMIIW-GOTSBHOMSA-N 2 1 400.611 3.934 20 0 HHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000486217883 998654566 /nfs/dbraw/zinc/65/45/66/998654566.db2.gz BSDHBSDBIIMIIW-GOTSBHOMSA-N 2 1 400.611 3.934 20 0 HHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000486217883 998654571 /nfs/dbraw/zinc/65/45/71/998654571.db2.gz BSDHBSDBIIMIIW-GOTSBHOMSA-N 2 1 400.611 3.934 20 0 HHADMP C[C@H](NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486315813 998709134 /nfs/dbraw/zinc/70/91/34/998709134.db2.gz CONNKDIUKVKFNT-GPUOULLFSA-N 2 1 420.601 3.861 20 0 HHADMP C[C@H](NC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486315813 998709140 /nfs/dbraw/zinc/70/91/40/998709140.db2.gz CONNKDIUKVKFNT-GPUOULLFSA-N 2 1 420.601 3.861 20 0 HHADMP C[C@H](NC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486315813 998709142 /nfs/dbraw/zinc/70/91/42/998709142.db2.gz CONNKDIUKVKFNT-GPUOULLFSA-N 2 1 420.601 3.861 20 0 HHADMP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC000478033843 998725565 /nfs/dbraw/zinc/72/55/65/998725565.db2.gz CZVPKGLEOADVKT-MOPGFXCFSA-N 2 1 414.594 3.949 20 0 HHADMP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000478033843 998725567 /nfs/dbraw/zinc/72/55/67/998725567.db2.gz CZVPKGLEOADVKT-MOPGFXCFSA-N 2 1 414.594 3.949 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000487024710 999039936 /nfs/dbraw/zinc/03/99/36/999039936.db2.gz ADNAMLYLFKREKD-ZTCOLXNVSA-N 2 1 408.590 3.808 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N[C@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)[nH+]c1 ZINC000487090976 999059997 /nfs/dbraw/zinc/05/99/97/999059997.db2.gz QOBOFVSYCYWGLA-IRLDBZIGSA-N 2 1 421.589 3.569 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N[C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)[nH+]c1 ZINC000487090976 999060005 /nfs/dbraw/zinc/06/00/05/999060005.db2.gz QOBOFVSYCYWGLA-IRLDBZIGSA-N 2 1 421.589 3.569 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N[C@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)[nH+]c1 ZINC000487090975 999060183 /nfs/dbraw/zinc/06/01/83/999060183.db2.gz QOBOFVSYCYWGLA-IFMALSPDSA-N 2 1 421.589 3.569 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N[C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)[nH+]c1 ZINC000487090975 999060187 /nfs/dbraw/zinc/06/01/87/999060187.db2.gz QOBOFVSYCYWGLA-IFMALSPDSA-N 2 1 421.589 3.569 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N[C@@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)[nH+]1 ZINC000487129313 999075893 /nfs/dbraw/zinc/07/58/93/999075893.db2.gz QJKAUOQIQWRGLO-RBBKRZOGSA-N 2 1 421.589 3.569 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N[C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)[nH+]1 ZINC000487129313 999075899 /nfs/dbraw/zinc/07/58/99/999075899.db2.gz QJKAUOQIQWRGLO-RBBKRZOGSA-N 2 1 421.589 3.569 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000487159271 999084112 /nfs/dbraw/zinc/08/41/12/999084112.db2.gz NOHGXQPMXXOLBV-FCHUYYIVSA-N 2 1 401.501 3.980 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000487159271 999084115 /nfs/dbraw/zinc/08/41/15/999084115.db2.gz NOHGXQPMXXOLBV-FCHUYYIVSA-N 2 1 401.501 3.980 20 0 HHADMP CCOc1c(Cl)cccc1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000487325141 999136037 /nfs/dbraw/zinc/13/60/37/999136037.db2.gz QQIJDMHOXDQCFU-FQEVSTJZSA-N 2 1 415.965 3.726 20 0 HHADMP CCOc1c(Cl)cccc1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000487325141 999136038 /nfs/dbraw/zinc/13/60/38/999136038.db2.gz QQIJDMHOXDQCFU-FQEVSTJZSA-N 2 1 415.965 3.726 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000478795363 999144670 /nfs/dbraw/zinc/14/46/70/999144670.db2.gz IRIURCVWDLCEAQ-JOCHJYFZSA-N 2 1 400.542 3.768 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000479053851 999270068 /nfs/dbraw/zinc/27/00/68/999270068.db2.gz COTLVHHXYRHBLW-SFHVURJKSA-N 2 1 403.592 3.642 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000487814070 999299375 /nfs/dbraw/zinc/29/93/75/999299375.db2.gz FORUAEQYNUEVDQ-UIAACRFSSA-N 2 1 410.553 3.764 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000487814070 999299379 /nfs/dbraw/zinc/29/93/79/999299379.db2.gz FORUAEQYNUEVDQ-UIAACRFSSA-N 2 1 410.553 3.764 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cncc(OCc4ccccc4)c3)CC2)C[C@H](C)O1 ZINC000487888780 999305408 /nfs/dbraw/zinc/30/54/08/999305408.db2.gz NLZKTPLQZZYDQH-OYRHEFFESA-N 2 1 409.574 3.982 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000487897462 999308955 /nfs/dbraw/zinc/30/89/55/999308955.db2.gz NVRUXOMWWIZEOV-JYWFKMLOSA-N 2 1 408.537 3.661 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000487897462 999308960 /nfs/dbraw/zinc/30/89/60/999308960.db2.gz NVRUXOMWWIZEOV-JYWFKMLOSA-N 2 1 408.537 3.661 20 0 HHADMP C[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000487916161 999314738 /nfs/dbraw/zinc/31/47/38/999314738.db2.gz QEHHKDLYIIZCCB-QZTJIDSGSA-N 2 1 415.965 3.528 20 0 HHADMP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000487966743 999330669 /nfs/dbraw/zinc/33/06/69/999330669.db2.gz JEGHVNQIPPRZPB-CZAAIQMYSA-N 2 1 408.537 3.520 20 0 HHADMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000487966743 999330675 /nfs/dbraw/zinc/33/06/75/999330675.db2.gz JEGHVNQIPPRZPB-CZAAIQMYSA-N 2 1 408.537 3.520 20 0 HHADMP CCC[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000487966743 999330679 /nfs/dbraw/zinc/33/06/79/999330679.db2.gz JEGHVNQIPPRZPB-CZAAIQMYSA-N 2 1 408.537 3.520 20 0 HHADMP CCC[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000487966743 999330683 /nfs/dbraw/zinc/33/06/83/999330683.db2.gz JEGHVNQIPPRZPB-CZAAIQMYSA-N 2 1 408.537 3.520 20 0 HHADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Br)cc1C(F)(F)F ZINC000479278768 999361682 /nfs/dbraw/zinc/36/16/82/999361682.db2.gz KGJNTYZZZOBZOA-GFCCVEGCSA-N 2 1 409.290 3.965 20 0 HHADMP CN(C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000479314318 999380128 /nfs/dbraw/zinc/38/01/28/999380128.db2.gz VMZKMUQUUSREIN-JGUMPVPUSA-N 2 1 404.986 3.744 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479338005 999392215 /nfs/dbraw/zinc/39/22/15/999392215.db2.gz ULDJRTIFHUKHPU-GFCCVEGCSA-N 2 1 416.374 3.553 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479338006 999392288 /nfs/dbraw/zinc/39/22/88/999392288.db2.gz ULDJRTIFHUKHPU-LBPRGKRZSA-N 2 1 416.374 3.553 20 0 HHADMP COc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000479444522 999420330 /nfs/dbraw/zinc/42/03/30/999420330.db2.gz IWGQFRLOIUTYRB-ZJSXRUAMSA-N 2 1 405.546 3.530 20 0 HHADMP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000488348630 999451697 /nfs/dbraw/zinc/45/16/97/999451697.db2.gz WZBWZSPLYHUCFW-VWLOTQADSA-N 2 1 405.586 3.894 20 0 HHADMP Cc1cc2[nH]c(C[NH2+]Cc3cccc(C[N@H+]4CCC[C@H](C(N)=O)C4)c3)cc2c(C)c1 ZINC000479544260 999469807 /nfs/dbraw/zinc/46/98/07/999469807.db2.gz MVKJSTHWBWWRSY-NRFANRHFSA-N 2 1 404.558 3.772 20 0 HHADMP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000488392602 999472232 /nfs/dbraw/zinc/47/22/32/999472232.db2.gz QPOBIEZOJMSMMU-FQEVSTJZSA-N 2 1 411.594 3.870 20 0 HHADMP c1csc([C@@H]2CCC[NH+](CCOCC[N@H+]3CCC[C@H](c4nccs4)C3)C2)n1 ZINC000488646909 999557005 /nfs/dbraw/zinc/55/70/05/999557005.db2.gz QOSSYYZEFKLDCS-HDICACEKSA-N 2 1 406.621 3.675 20 0 HHADMP c1csc([C@@H]2CCC[N@@H+](CCOCC[NH+]3CCC[C@H](c4nccs4)C3)C2)n1 ZINC000488646909 999557008 /nfs/dbraw/zinc/55/70/08/999557008.db2.gz QOSSYYZEFKLDCS-HDICACEKSA-N 2 1 406.621 3.675 20 0 HHADMP c1csc([C@@H]2CCC[N@H+](CCOCC[NH+]3CCC[C@H](c4nccs4)C3)C2)n1 ZINC000488646909 999557009 /nfs/dbraw/zinc/55/70/09/999557009.db2.gz QOSSYYZEFKLDCS-HDICACEKSA-N 2 1 406.621 3.675 20 0 HHADMP c1csc([C@@H]2CCC[NH+](CCOCC[N@H+]3CCC[C@@H](c4nccs4)C3)C2)n1 ZINC000488646910 999557020 /nfs/dbraw/zinc/55/70/20/999557020.db2.gz QOSSYYZEFKLDCS-QZTJIDSGSA-N 2 1 406.621 3.675 20 0 HHADMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cccc(C(=O)OC(C)(C)C)c3)cc2)CC1 ZINC000479930350 999652867 /nfs/dbraw/zinc/65/28/67/999652867.db2.gz VSJFFMIOSSTFFY-UHFFFAOYSA-N 2 1 409.574 3.679 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000479969075 999668187 /nfs/dbraw/zinc/66/81/87/999668187.db2.gz RWSJJXGXSGBTPP-UHFFFAOYSA-N 2 1 423.601 3.805 20 0 HHADMP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)N2CCOCC2)cc1 ZINC000480075198 999710363 /nfs/dbraw/zinc/71/03/63/999710363.db2.gz ZQXPIMOTGGFBKN-QGDZQMKYSA-N 2 1 423.601 3.569 20 0 HHADMP C[NH+](C)C[C@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000489178964 999717077 /nfs/dbraw/zinc/71/70/77/999717077.db2.gz XXZABCMPISSDEJ-UTKZUKDTSA-N 2 1 418.582 3.701 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000480315492 999769480 /nfs/dbraw/zinc/76/94/80/999769480.db2.gz PKDNBYJBSQMFKP-SQJMNOBHSA-N 2 1 420.601 3.590 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000480315492 999769483 /nfs/dbraw/zinc/76/94/83/999769483.db2.gz PKDNBYJBSQMFKP-SQJMNOBHSA-N 2 1 420.601 3.590 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000489527549 999784627 /nfs/dbraw/zinc/78/46/27/999784627.db2.gz QIIYDAQOXPRLPG-MISYRCLQSA-N 2 1 400.592 3.561 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000489536887 999787197 /nfs/dbraw/zinc/78/71/97/999787197.db2.gz YHVUMHKYZJRRFR-DUXKGJEZSA-N 2 1 400.592 3.561 20 0 HHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000489652557 999810442 /nfs/dbraw/zinc/81/04/42/999810442.db2.gz XBUSBQVZIZLCRK-DEOSSOPVSA-N 2 1 409.549 3.989 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000489652557 999810443 /nfs/dbraw/zinc/81/04/43/999810443.db2.gz XBUSBQVZIZLCRK-DEOSSOPVSA-N 2 1 409.549 3.989 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000489773162 999835371 /nfs/dbraw/zinc/83/53/71/999835371.db2.gz KOHYJPPWSSQSSK-JWQCQUIFSA-N 2 1 420.601 3.515 20 0 HHADMP O=C(NC[C@H]1CC[NH+](CCc2ccccc2)C1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000489773162 999835374 /nfs/dbraw/zinc/83/53/74/999835374.db2.gz KOHYJPPWSSQSSK-JWQCQUIFSA-N 2 1 420.601 3.515 20 0 HHADMP O=C(NC[C@H]1CC[NH+](CCc2ccccc2)C1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000489773162 999835380 /nfs/dbraw/zinc/83/53/80/999835380.db2.gz KOHYJPPWSSQSSK-JWQCQUIFSA-N 2 1 420.601 3.515 20 0 HHADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)cc1 ZINC000480608996 999839870 /nfs/dbraw/zinc/83/98/70/999839870.db2.gz IMBOPKNPNGRGIQ-MOPGFXCFSA-N 2 1 415.603 3.820 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000489822577 999844089 /nfs/dbraw/zinc/84/40/89/999844089.db2.gz BJSDFTISAIHZJH-PXDATVDWSA-N 2 1 420.601 3.992 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000489844107 999848173 /nfs/dbraw/zinc/84/81/73/999848173.db2.gz XMVIAPBHFLZBSQ-HYBUGGRVSA-N 2 1 424.589 3.796 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000489845945 999848394 /nfs/dbraw/zinc/84/83/94/999848394.db2.gz SRNITGDUDUODJL-HSZRJFAPSA-N 2 1 422.617 3.891 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000489845945 999848395 /nfs/dbraw/zinc/84/83/95/999848395.db2.gz SRNITGDUDUODJL-HSZRJFAPSA-N 2 1 422.617 3.891 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000489845945 999848398 /nfs/dbraw/zinc/84/83/98/999848398.db2.gz SRNITGDUDUODJL-HSZRJFAPSA-N 2 1 422.617 3.891 20 0 HHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3cccc(N4CCCC4=O)c3)cc2)CC1 ZINC000480711755 999865491 /nfs/dbraw/zinc/86/54/91/999865491.db2.gz HYAUQMGVOBLJSW-NRFANRHFSA-N 2 1 420.601 3.802 20 0 HHADMP Cc1ccc([C@H]2C[C@H](C)[N@H+](CC(=O)Nc3ccc(CN4CCOCC4)cc3)C2)cc1 ZINC000490046394 999884432 /nfs/dbraw/zinc/88/44/32/999884432.db2.gz VPAGYRFYXXQAJX-REWPJTCUSA-N 2 1 407.558 3.644 20 0 HHADMP Cn1cc([C@@H]([NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c2cccc(F)c2)cn1 ZINC000490119165 999895652 /nfs/dbraw/zinc/89/56/52/999895652.db2.gz NGAZQMQTIVAXSO-RPBOFIJWSA-N 2 1 421.564 3.617 20 0 HHADMP Cn1cc([C@@H]([NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c2cccc(F)c2)cn1 ZINC000490119160 999895711 /nfs/dbraw/zinc/89/57/11/999895711.db2.gz NGAZQMQTIVAXSO-DQEYMECFSA-N 2 1 421.564 3.617 20 0 HHADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490755203 1000001242 /nfs/dbraw/zinc/00/12/42/1000001242.db2.gz GIRMEDFCBXONJJ-NGYIFUPDSA-N 2 1 409.549 3.817 20 0 HHADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490755203 1000001246 /nfs/dbraw/zinc/00/12/46/1000001246.db2.gz GIRMEDFCBXONJJ-NGYIFUPDSA-N 2 1 409.549 3.817 20 0 HHADMP C[C@H](NC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490755203 1000001248 /nfs/dbraw/zinc/00/12/48/1000001248.db2.gz GIRMEDFCBXONJJ-NGYIFUPDSA-N 2 1 409.549 3.817 20 0 HHADMP C[C@H](NC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490755203 1000001250 /nfs/dbraw/zinc/00/12/50/1000001250.db2.gz GIRMEDFCBXONJJ-NGYIFUPDSA-N 2 1 409.549 3.817 20 0 HHADMP C[C@H]1CN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC[N@H+](C2CCC2)C1 ZINC000490992452 1000031322 /nfs/dbraw/zinc/03/13/22/1000031322.db2.gz VXRBZEHVLHURID-OFNKIYASSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@H]1CN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC[NH+](C2CCC2)C1 ZINC000490992452 1000031324 /nfs/dbraw/zinc/03/13/24/1000031324.db2.gz VXRBZEHVLHURID-OFNKIYASSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC[NH+](C2CCC2)C1 ZINC000490992452 1000031327 /nfs/dbraw/zinc/03/13/27/1000031327.db2.gz VXRBZEHVLHURID-OFNKIYASSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@@H]1C[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490994223 1000031534 /nfs/dbraw/zinc/03/15/34/1000031534.db2.gz KHIYDNPWJGEBFW-BWKNWUBXSA-N 2 1 409.574 3.816 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1 ZINC000491345123 1000067076 /nfs/dbraw/zinc/06/70/76/1000067076.db2.gz FVNOHEBKKVZDLK-MRXNPFEDSA-N 2 1 407.522 3.527 20 0 HHADMP CCC[C@@H]1CN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@H+]1Cc1ccccc1 ZINC000491376921 1000069758 /nfs/dbraw/zinc/06/97/58/1000069758.db2.gz SKNGBEWUPWXMND-JOCHJYFZSA-N 2 1 424.593 3.668 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccc(Cn3ccnc3)cn2)C1 ZINC000491973896 1000102629 /nfs/dbraw/zinc/10/26/29/1000102629.db2.gz ACHKPSRDOHDEKI-IBGZPJMESA-N 2 1 418.545 3.880 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000492296703 1000120400 /nfs/dbraw/zinc/12/04/00/1000120400.db2.gz YSYRWBJAVJSZBJ-IBGZPJMESA-N 2 1 413.993 3.984 20 0 HHADMP C[C@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492376906 1000124276 /nfs/dbraw/zinc/12/42/76/1000124276.db2.gz PJZLNNLADQEQSQ-CUWPLCDZSA-N 2 1 422.491 3.945 20 0 HHADMP C[C@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492462465 1000128055 /nfs/dbraw/zinc/12/80/55/1000128055.db2.gz GJIZCKMRYNHWHU-BKMJKUGQSA-N 2 1 419.613 3.968 20 0 HHADMP C[C@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492462465 1000128057 /nfs/dbraw/zinc/12/80/57/1000128057.db2.gz GJIZCKMRYNHWHU-BKMJKUGQSA-N 2 1 419.613 3.968 20 0 HHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[NH+](C)C ZINC000492515519 1000130456 /nfs/dbraw/zinc/13/04/56/1000130456.db2.gz NYFFMPQZMVMJKG-RSEQLOHWSA-N 2 1 422.617 3.850 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CCc3ccccc3OC2)c1)C1CCOCC1 ZINC000493823944 1000196188 /nfs/dbraw/zinc/19/61/88/1000196188.db2.gz SDFSSELVOKXNLY-JOCHJYFZSA-N 2 1 410.558 3.660 20 0 HHADMP COc1ccc([C@H]2CC[N@H+]([C@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000504521327 1000248806 /nfs/dbraw/zinc/24/88/06/1000248806.db2.gz KPTLFXOSCOPRTF-OFNKIYASSA-N 2 1 421.585 3.654 20 0 HHADMP CC(C)(C)[N@H+]1C[C@@H](C(=O)NC2CC[NH+](CC3CCCC3)CC2)[C@H](C(F)(F)F)C1 ZINC000493979580 1000250434 /nfs/dbraw/zinc/25/04/34/1000250434.db2.gz DTSUXYRHKYAYAV-QZTJIDSGSA-N 2 1 403.533 3.666 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000494129437 1000321922 /nfs/dbraw/zinc/32/19/22/1000321922.db2.gz XYOYSPXCEXBNJO-FCHUYYIVSA-N 2 1 401.501 3.980 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000494129437 1000321926 /nfs/dbraw/zinc/32/19/26/1000321926.db2.gz XYOYSPXCEXBNJO-FCHUYYIVSA-N 2 1 401.501 3.980 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494131365 1000322765 /nfs/dbraw/zinc/32/27/65/1000322765.db2.gz GXCPWLXKLVMGCE-YADHBBJMSA-N 2 1 401.501 3.980 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494131365 1000322769 /nfs/dbraw/zinc/32/27/69/1000322769.db2.gz GXCPWLXKLVMGCE-YADHBBJMSA-N 2 1 401.501 3.980 20 0 HHADMP CC[NH+](CC)CCSCC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000494135215 1000324603 /nfs/dbraw/zinc/32/46/03/1000324603.db2.gz XAMPCSAYZZPMMQ-TZIWHRDSSA-N 2 1 413.578 3.680 20 0 HHADMP CC[NH+](CC)CCSCC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000494135215 1000324610 /nfs/dbraw/zinc/32/46/10/1000324610.db2.gz XAMPCSAYZZPMMQ-TZIWHRDSSA-N 2 1 413.578 3.680 20 0 HHADMP CC(C)[C@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)[NH+]1CCC(C)CC1 ZINC000494278936 1000407224 /nfs/dbraw/zinc/40/72/24/1000407224.db2.gz FQULCASOGOKCQD-SFHVURJKSA-N 2 1 405.493 3.691 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504883677 1000426324 /nfs/dbraw/zinc/42/63/24/1000426324.db2.gz WBTZRJIFCWMAQG-ZEQRLZLVSA-N 2 1 406.574 3.787 20 0 HHADMP C[C@H](c1c(F)cccc1F)[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000494543222 1000546499 /nfs/dbraw/zinc/54/64/99/1000546499.db2.gz MJILTIYNKWUIRT-GOSISDBHSA-N 2 1 415.528 3.986 20 0 HHADMP C[C@H](c1c(F)cccc1F)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000494543222 1000546502 /nfs/dbraw/zinc/54/65/02/1000546502.db2.gz MJILTIYNKWUIRT-GOSISDBHSA-N 2 1 415.528 3.986 20 0 HHADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000505135565 1000569147 /nfs/dbraw/zinc/56/91/47/1000569147.db2.gz JZUWHVISEITUCC-UXHICEINSA-N 2 1 417.500 3.690 20 0 HHADMP CCCC[C@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)C(=O)Nc1cc(C)on1 ZINC000495481818 1001028776 /nfs/dbraw/zinc/02/87/76/1001028776.db2.gz VYSIDGBEEUILDV-IBGZPJMESA-N 2 1 417.554 3.587 20 0 HHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000496687575 1001214158 /nfs/dbraw/zinc/21/41/58/1001214158.db2.gz AOGKVBCLGYGIOR-UHFFFAOYSA-N 2 1 423.601 3.531 20 0 HHADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000497452084 1001372945 /nfs/dbraw/zinc/37/29/45/1001372945.db2.gz SJERDWSTTRTIBI-IFMALSPDSA-N 2 1 413.606 3.579 20 0 HHADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000497452084 1001372952 /nfs/dbraw/zinc/37/29/52/1001372952.db2.gz SJERDWSTTRTIBI-IFMALSPDSA-N 2 1 413.606 3.579 20 0 HHADMP C[C@H]1CCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000497561389 1001435873 /nfs/dbraw/zinc/43/58/73/1001435873.db2.gz FQNAREOXYVICOF-NRFANRHFSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCC2(F)F)C1 ZINC000506526610 1001451443 /nfs/dbraw/zinc/45/14/43/1001451443.db2.gz QOOMTKNATIATJQ-CTNGQTDRSA-N 2 1 407.549 3.772 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000506526610 1001451445 /nfs/dbraw/zinc/45/14/45/1001451445.db2.gz QOOMTKNATIATJQ-CTNGQTDRSA-N 2 1 407.549 3.772 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000506526610 1001451448 /nfs/dbraw/zinc/45/14/48/1001451448.db2.gz QOOMTKNATIATJQ-CTNGQTDRSA-N 2 1 407.549 3.772 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+]3CCC2CC3)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000497594713 1001451628 /nfs/dbraw/zinc/45/16/28/1001451628.db2.gz CNBMSAJGYYORPF-XLIONFOSSA-N 2 1 424.511 3.578 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)[NH+](C)C)cc1 ZINC000506621465 1001473879 /nfs/dbraw/zinc/47/38/79/1001473879.db2.gz RPMPCQHXDMOPLX-XJUOHMSHSA-N 2 1 400.611 3.894 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000506866266 1001572319 /nfs/dbraw/zinc/57/23/19/1001572319.db2.gz WDLHDNRFGLXDNP-HKBOAZHASA-N 2 1 402.583 3.713 20 0 HHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000506934163 1001601549 /nfs/dbraw/zinc/60/15/49/1001601549.db2.gz OIAKFMGUTURZTL-LEWJYISDSA-N 2 1 422.683 3.644 20 0 HHADMP CCC1(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC[NH+](Cc2ccccc2)CC1 ZINC000498276146 1001749972 /nfs/dbraw/zinc/74/99/72/1001749972.db2.gz NAPKLCJORBQCAU-XZOQPEGZSA-N 2 1 412.622 3.805 20 0 HHADMP CCC[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)[C@@H](C)c1cc2ccccc2o1 ZINC000507012371 1001763696 /nfs/dbraw/zinc/76/36/96/1001763696.db2.gz JNJYUVICXFLJCZ-FPOVZHCZSA-N 2 1 415.578 3.679 20 0 HHADMP CCC[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)[C@@H](C)c1cc2ccccc2o1 ZINC000507012371 1001763700 /nfs/dbraw/zinc/76/37/00/1001763700.db2.gz JNJYUVICXFLJCZ-FPOVZHCZSA-N 2 1 415.578 3.679 20 0 HHADMP CCC[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)[C@@H](C)c1cc2ccccc2o1 ZINC000507012371 1001763702 /nfs/dbraw/zinc/76/37/02/1001763702.db2.gz JNJYUVICXFLJCZ-FPOVZHCZSA-N 2 1 415.578 3.679 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000498616863 1002017298 /nfs/dbraw/zinc/01/72/98/1002017298.db2.gz JUJQAHCMUPYCCH-VWNXMTODSA-N 2 1 421.585 3.861 20 0 HHADMP Cc1ccc(C)n1C1CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000507359963 1002022061 /nfs/dbraw/zinc/02/20/61/1002022061.db2.gz MDOVBSNPFJEZFK-GMAHTHKFSA-N 2 1 408.590 3.521 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000498671563 1002063872 /nfs/dbraw/zinc/06/38/72/1002063872.db2.gz NQLWXNPMEHICHZ-BULFRSBZSA-N 2 1 420.548 3.616 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000498671563 1002063885 /nfs/dbraw/zinc/06/38/85/1002063885.db2.gz NQLWXNPMEHICHZ-BULFRSBZSA-N 2 1 420.548 3.616 20 0 HHADMP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C(C)C)[C@H]2c2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000498676169 1002067957 /nfs/dbraw/zinc/06/79/57/1002067957.db2.gz PPCAHAHGUXCJFN-AEMJNJESSA-N 2 1 422.564 3.860 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C(C)C)[C@H]2c2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000498676169 1002067970 /nfs/dbraw/zinc/06/79/70/1002067970.db2.gz PPCAHAHGUXCJFN-AEMJNJESSA-N 2 1 422.564 3.860 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000498676169 1002067985 /nfs/dbraw/zinc/06/79/85/1002067985.db2.gz PPCAHAHGUXCJFN-AEMJNJESSA-N 2 1 422.564 3.860 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000498676169 1002067993 /nfs/dbraw/zinc/06/79/93/1002067993.db2.gz PPCAHAHGUXCJFN-AEMJNJESSA-N 2 1 422.564 3.860 20 0 HHADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[NH+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000498688291 1002075130 /nfs/dbraw/zinc/07/51/30/1002075130.db2.gz NLVCZXMTKBZTGS-GMQQQROESA-N 2 1 420.548 3.757 20 0 HHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[NH+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000498688291 1002075138 /nfs/dbraw/zinc/07/51/38/1002075138.db2.gz NLVCZXMTKBZTGS-GMQQQROESA-N 2 1 420.548 3.757 20 0 HHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000498688291 1002075147 /nfs/dbraw/zinc/07/51/47/1002075147.db2.gz NLVCZXMTKBZTGS-GMQQQROESA-N 2 1 420.548 3.757 20 0 HHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000498688291 1002075160 /nfs/dbraw/zinc/07/51/60/1002075160.db2.gz NLVCZXMTKBZTGS-GMQQQROESA-N 2 1 420.548 3.757 20 0 HHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000498694772 1002081503 /nfs/dbraw/zinc/08/15/03/1002081503.db2.gz MUJJAMOIVZRVSW-RCZVLFRGSA-N 2 1 422.617 3.979 20 0 HHADMP C[C@@H](NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498706346 1002090206 /nfs/dbraw/zinc/09/02/06/1002090206.db2.gz FYAOSHLRGVIBLD-IRLDBZIGSA-N 2 1 424.589 3.796 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000507624085 1002228336 /nfs/dbraw/zinc/22/83/36/1002228336.db2.gz YICKGZRZVHAKCI-SXSPYAJSSA-N 2 1 419.548 3.899 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000507624085 1002228326 /nfs/dbraw/zinc/22/83/26/1002228326.db2.gz YICKGZRZVHAKCI-SXSPYAJSSA-N 2 1 419.548 3.899 20 0 HHADMP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000499110638 1002500980 /nfs/dbraw/zinc/50/09/80/1002500980.db2.gz KYKGULWNXYFIJK-GMAHTHKFSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000499112099 1002501654 /nfs/dbraw/zinc/50/16/54/1002501654.db2.gz NWOSUVKYAZXSPZ-SHBJFUFKSA-N 2 1 408.590 3.888 20 0 HHADMP Fc1ccc(N2CCN(CC[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)cc1 ZINC000499148775 1002531828 /nfs/dbraw/zinc/53/18/28/1002531828.db2.gz DQLPMQSPMMYTNI-ITHGVDGZSA-N 2 1 422.592 3.733 20 0 HHADMP c1ccc(CN2CCO[C@H](C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)cc1 ZINC000499155014 1002538630 /nfs/dbraw/zinc/53/86/30/1002538630.db2.gz GGXINKXOSITPMG-FXSWLTOZSA-N 2 1 405.586 3.673 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)NCC2(C)CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000508251721 1002773187 /nfs/dbraw/zinc/77/31/87/1002773187.db2.gz OGFFWBVTEMGMDK-VQIMIIECSA-N 2 1 410.965 3.503 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NCC2(C)CC[NH+](C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000508383749 1002876497 /nfs/dbraw/zinc/87/64/97/1002876497.db2.gz RWJGKQQPWZNXST-VQTJNVASSA-N 2 1 408.537 3.520 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NCC2(C)CC[NH+](C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000508383749 1002876511 /nfs/dbraw/zinc/87/65/11/1002876511.db2.gz RWJGKQQPWZNXST-VQTJNVASSA-N 2 1 408.537 3.520 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc(-c2ccc(C)cc2)n1 ZINC000499510526 1002899854 /nfs/dbraw/zinc/89/98/54/1002899854.db2.gz WIEHDEBPRCBTPO-LJQANCHMSA-N 2 1 400.592 3.607 20 0 HHADMP C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508692827 1003131103 /nfs/dbraw/zinc/13/11/03/1003131103.db2.gz BENOKFZMKMMGHK-FPOVZHCZSA-N 2 1 409.549 3.931 20 0 HHADMP C[C@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508693801 1003131834 /nfs/dbraw/zinc/13/18/34/1003131834.db2.gz BQCJMVUHQCBEKW-OFVILXPXSA-N 2 1 401.554 3.897 20 0 HHADMP COc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1OC ZINC000508713097 1003152024 /nfs/dbraw/zinc/15/20/24/1003152024.db2.gz SBTIGRKPYOMOBD-PTUXOGIPSA-N 2 1 411.590 3.807 20 0 HHADMP COc1ccc([C@H](CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1OC ZINC000508713097 1003152034 /nfs/dbraw/zinc/15/20/34/1003152034.db2.gz SBTIGRKPYOMOBD-PTUXOGIPSA-N 2 1 411.590 3.807 20 0 HHADMP COc1ccc([C@H](CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[NH+](C)C)cc1OC ZINC000508713097 1003152028 /nfs/dbraw/zinc/15/20/28/1003152028.db2.gz SBTIGRKPYOMOBD-PTUXOGIPSA-N 2 1 411.590 3.807 20 0 HHADMP C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722348 1003162838 /nfs/dbraw/zinc/16/28/38/1003162838.db2.gz SCBSUDPQPJYUAW-VDKIKQQVSA-N 2 1 406.618 3.697 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000499966939 1003286423 /nfs/dbraw/zinc/28/64/23/1003286423.db2.gz DMTWLZSHDDWSCM-ILBGXUMGSA-N 2 1 412.622 3.662 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000499966939 1003286433 /nfs/dbraw/zinc/28/64/33/1003286433.db2.gz DMTWLZSHDDWSCM-ILBGXUMGSA-N 2 1 412.622 3.662 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000499966939 1003286441 /nfs/dbraw/zinc/28/64/41/1003286441.db2.gz DMTWLZSHDDWSCM-ILBGXUMGSA-N 2 1 412.622 3.662 20 0 HHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[NH+](C)C ZINC000508868864 1003289672 /nfs/dbraw/zinc/28/96/72/1003289672.db2.gz WHLUKCHCCLLDGP-OHCFRWENSA-N 2 1 423.605 3.716 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000499996273 1003314673 /nfs/dbraw/zinc/31/46/73/1003314673.db2.gz BFAQWEJJQQIYRK-LJQANCHMSA-N 2 1 406.619 3.542 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cccc(OC(C)(C)C)n3)CC2)CC1 ZINC000508889851 1003318237 /nfs/dbraw/zinc/31/82/37/1003318237.db2.gz NQJVHPWIPIOYKY-UHFFFAOYSA-N 2 1 402.627 3.887 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000508899236 1003332442 /nfs/dbraw/zinc/33/24/42/1003332442.db2.gz SZNXJERRRNROKK-RBBKRZOGSA-N 2 1 419.491 3.860 20 0 HHADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000500102533 1003464014 /nfs/dbraw/zinc/46/40/14/1003464014.db2.gz DGPASKKQQWESMF-UHFFFAOYSA-N 2 1 406.574 3.530 20 0 HHADMP CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000509243919 1003650126 /nfs/dbraw/zinc/65/01/26/1003650126.db2.gz XQFNYWPLUKFNKY-UHFFFAOYSA-N 2 1 422.573 3.558 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000509243919 1003650130 /nfs/dbraw/zinc/65/01/30/1003650130.db2.gz XQFNYWPLUKFNKY-UHFFFAOYSA-N 2 1 422.573 3.558 20 0 HHADMP C[NH+](C)C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000500551389 1003778444 /nfs/dbraw/zinc/77/84/44/1003778444.db2.gz FYEAARRUYBAIQW-PCCBWWKXSA-N 2 1 418.944 3.826 20 0 HHADMP C[NH+](C)C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000500551389 1003778452 /nfs/dbraw/zinc/77/84/52/1003778452.db2.gz FYEAARRUYBAIQW-PCCBWWKXSA-N 2 1 418.944 3.826 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000500719440 1003919215 /nfs/dbraw/zinc/91/92/15/1003919215.db2.gz ZOCIKFPLSAABAN-NZQKXSOJSA-N 2 1 421.589 3.775 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000500822776 1003981996 /nfs/dbraw/zinc/98/19/96/1003981996.db2.gz QWIGIYJVPHHUBC-UHFFFAOYSA-N 2 1 423.605 3.980 20 0 HHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3nc4cc(Br)ccc4o3)CC2)C[C@H](C)O1 ZINC000509667368 1004015375 /nfs/dbraw/zinc/01/53/75/1004015375.db2.gz QUFMNSUBNCBRRL-GJZGRUSLSA-N 2 1 422.367 3.912 20 0 HHADMP COCC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000512146410 1004056418 /nfs/dbraw/zinc/05/64/18/1004056418.db2.gz PSZUBNQUJBZPQL-ZDUSSCGKSA-N 2 1 421.891 3.776 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)NCc2cccc(C[NH+](C)C)c2)C[N@H+]1Cc1ccccc1 ZINC000509744629 1004067208 /nfs/dbraw/zinc/06/72/08/1004067208.db2.gz GMGRYIRLKAETSB-HYBUGGRVSA-N 2 1 408.590 3.848 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000512175192 1004077123 /nfs/dbraw/zinc/07/71/23/1004077123.db2.gz KOBAGEUVOZUAIG-FCHUYYIVSA-N 2 1 400.611 3.660 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000512175192 1004077129 /nfs/dbraw/zinc/07/71/29/1004077129.db2.gz KOBAGEUVOZUAIG-FCHUYYIVSA-N 2 1 400.611 3.660 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000512175192 1004077133 /nfs/dbraw/zinc/07/71/33/1004077133.db2.gz KOBAGEUVOZUAIG-FCHUYYIVSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000512214353 1004115632 /nfs/dbraw/zinc/11/56/32/1004115632.db2.gz SBQFBKYOWPOZBC-OALUTQOASA-N 2 1 410.562 3.934 20 0 HHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000512214353 1004115640 /nfs/dbraw/zinc/11/56/40/1004115640.db2.gz SBQFBKYOWPOZBC-OALUTQOASA-N 2 1 410.562 3.934 20 0 HHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000512214353 1004115643 /nfs/dbraw/zinc/11/56/43/1004115643.db2.gz SBQFBKYOWPOZBC-OALUTQOASA-N 2 1 410.562 3.934 20 0 HHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000512214353 1004115647 /nfs/dbraw/zinc/11/56/47/1004115647.db2.gz SBQFBKYOWPOZBC-OALUTQOASA-N 2 1 410.562 3.934 20 0 HHADMP C[N@@H+](C[C@H](O)COc1c(Cl)cccc1Cl)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501033216 1004136628 /nfs/dbraw/zinc/13/66/28/1004136628.db2.gz RPCZZHUKHNOXOQ-SFHVURJKSA-N 2 1 424.372 3.977 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)CC1 ZINC000501062006 1004164399 /nfs/dbraw/zinc/16/43/99/1004164399.db2.gz WSMFZWOEWCIBBJ-GHTZIAJQSA-N 2 1 424.427 3.627 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)CC1 ZINC000501062006 1004164407 /nfs/dbraw/zinc/16/44/07/1004164407.db2.gz WSMFZWOEWCIBBJ-GHTZIAJQSA-N 2 1 424.427 3.627 20 0 HHADMP C[N@H+](Cc1cccc(C(=O)NCc2ccco2)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501062258 1004164634 /nfs/dbraw/zinc/16/46/34/1004164634.db2.gz IIIMIRFXJAOVMZ-UHFFFAOYSA-N 2 1 418.541 3.953 20 0 HHADMP CC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000512264976 1004166338 /nfs/dbraw/zinc/16/63/38/1004166338.db2.gz WYZMWCDBFRXFQP-VWLOTQADSA-N 2 1 405.542 3.816 20 0 HHADMP CC(=O)c1ccc(NC(=O)CC[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000512264976 1004166344 /nfs/dbraw/zinc/16/63/44/1004166344.db2.gz WYZMWCDBFRXFQP-VWLOTQADSA-N 2 1 405.542 3.816 20 0 HHADMP CC(=O)c1ccc(NC(=O)CC[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000512264976 1004166351 /nfs/dbraw/zinc/16/63/51/1004166351.db2.gz WYZMWCDBFRXFQP-VWLOTQADSA-N 2 1 405.542 3.816 20 0 HHADMP CC(=O)c1ccc(NC(=O)CC[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000512264976 1004166357 /nfs/dbraw/zinc/16/63/57/1004166357.db2.gz WYZMWCDBFRXFQP-VWLOTQADSA-N 2 1 405.542 3.816 20 0 HHADMP C[N@@H+](C[C@@H](O)CO[C@H]1CCCc2ccccc21)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501067981 1004170502 /nfs/dbraw/zinc/17/05/02/1004170502.db2.gz JLQFNBRKNRXSIE-NOZRDPDXSA-N 2 1 409.574 3.685 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000501070468 1004173583 /nfs/dbraw/zinc/17/35/83/1004173583.db2.gz DLGLORQXJOMCRS-REWPJTCUSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000501070467 1004173706 /nfs/dbraw/zinc/17/37/06/1004173706.db2.gz DLGLORQXJOMCRS-OFNKIYASSA-N 2 1 400.611 3.803 20 0 HHADMP CCC[N@H+](CC(=O)N(C)C1CCC(C)CC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512275643 1004176024 /nfs/dbraw/zinc/17/60/24/1004176024.db2.gz APBDOUUISPFPCO-UHFFFAOYSA-N 2 1 415.626 3.811 20 0 HHADMP CCC[N@@H+](CC(=O)N(C)C1CCC(C)CC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512275643 1004176028 /nfs/dbraw/zinc/17/60/28/1004176028.db2.gz APBDOUUISPFPCO-UHFFFAOYSA-N 2 1 415.626 3.811 20 0 HHADMP CCC[N@H+](CC(=O)Nc1cc(F)cc(F)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512276903 1004178052 /nfs/dbraw/zinc/17/80/52/1004178052.db2.gz ANACTKLHUIWQFE-UHFFFAOYSA-N 2 1 417.504 3.691 20 0 HHADMP CCC[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512276903 1004178057 /nfs/dbraw/zinc/17/80/57/1004178057.db2.gz ANACTKLHUIWQFE-UHFFFAOYSA-N 2 1 417.504 3.691 20 0 HHADMP C[NH+](C)CCCC1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000501085168 1004190849 /nfs/dbraw/zinc/19/08/49/1004190849.db2.gz MSTXZUBIYPAQBM-FPOVZHCZSA-N 2 1 406.640 3.894 20 0 HHADMP C[N@H+](Cc1cc2c(cc1Br)OCO2)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501085812 1004190896 /nfs/dbraw/zinc/19/08/96/1004190896.db2.gz IHUPVYHEMGPFQN-UHFFFAOYSA-N 2 1 418.335 3.921 20 0 HHADMP C[N@H+](CC(=O)NCCCSc1ccccc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501089343 1004195542 /nfs/dbraw/zinc/19/55/42/1004195542.db2.gz QAIZYWXEGRUKQL-UHFFFAOYSA-N 2 1 412.603 3.528 20 0 HHADMP CC(C)c1ccc(-c2ncc(C[NH+]3CCC(O)(C[NH+]4CCOCC4)CC3)s2)cc1 ZINC000501109646 1004211377 /nfs/dbraw/zinc/21/13/77/1004211377.db2.gz JIBAHAPNSKQPCC-UHFFFAOYSA-N 2 1 415.603 3.593 20 0 HHADMP COc1ccc(CC[C@@H]2CCCC[N@H+]2CCCN2CC[NH+](C(C)C)CC2)cc1OC ZINC000501112115 1004212705 /nfs/dbraw/zinc/21/27/05/1004212705.db2.gz YKCOBOKMACEKPN-QHCPKHFHSA-N 2 1 417.638 3.907 20 0 HHADMP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000512318213 1004213387 /nfs/dbraw/zinc/21/33/87/1004213387.db2.gz LWGIFKQRFKQVNC-RCCFBDPRSA-N 2 1 403.567 3.664 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000501116486 1004215873 /nfs/dbraw/zinc/21/58/73/1004215873.db2.gz RYXJGUIVWRZJEG-KDURUIRLSA-N 2 1 413.528 3.965 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000501116486 1004215885 /nfs/dbraw/zinc/21/58/85/1004215885.db2.gz RYXJGUIVWRZJEG-KDURUIRLSA-N 2 1 413.528 3.965 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000512402959 1004273080 /nfs/dbraw/zinc/27/30/80/1004273080.db2.gz BCDUYDFVQKISHX-JVSAHFFESA-N 2 1 400.611 3.659 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000512402959 1004273085 /nfs/dbraw/zinc/27/30/85/1004273085.db2.gz BCDUYDFVQKISHX-JVSAHFFESA-N 2 1 400.611 3.659 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000512402959 1004273094 /nfs/dbraw/zinc/27/30/94/1004273094.db2.gz BCDUYDFVQKISHX-JVSAHFFESA-N 2 1 400.611 3.659 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000512429939 1004296659 /nfs/dbraw/zinc/29/66/59/1004296659.db2.gz KTSZKRBHUJYQAO-JVSAHFFESA-N 2 1 400.611 3.801 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000512429939 1004296667 /nfs/dbraw/zinc/29/66/67/1004296667.db2.gz KTSZKRBHUJYQAO-JVSAHFFESA-N 2 1 400.611 3.801 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000512429939 1004296676 /nfs/dbraw/zinc/29/66/76/1004296676.db2.gz KTSZKRBHUJYQAO-JVSAHFFESA-N 2 1 400.611 3.801 20 0 HHADMP Fc1ccc(CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c2ncccc12 ZINC000512481758 1004334289 /nfs/dbraw/zinc/33/42/89/1004334289.db2.gz XZDMKPNXQVMVJS-JOCHJYFZSA-N 2 1 404.533 3.766 20 0 HHADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000510130327 1004345178 /nfs/dbraw/zinc/34/51/78/1004345178.db2.gz YHRACVYFYQEOHH-KHQYNDFOSA-N 2 1 422.013 3.856 20 0 HHADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000510130327 1004345187 /nfs/dbraw/zinc/34/51/87/1004345187.db2.gz YHRACVYFYQEOHH-KHQYNDFOSA-N 2 1 422.013 3.856 20 0 HHADMP CC[C@@H](CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000501376573 1004376300 /nfs/dbraw/zinc/37/63/00/1004376300.db2.gz GWUOMOGDXZIKHJ-REWPJTCUSA-N 2 1 400.611 3.777 20 0 HHADMP CC[C@@H](CNC(=O)NCCCC[NH+]1CCCC[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000501376573 1004376306 /nfs/dbraw/zinc/37/63/06/1004376306.db2.gz GWUOMOGDXZIKHJ-REWPJTCUSA-N 2 1 400.611 3.777 20 0 HHADMP CC[C@@H](CNC(=O)NCCCC[NH+]1CCCC[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000501376573 1004376312 /nfs/dbraw/zinc/37/63/12/1004376312.db2.gz GWUOMOGDXZIKHJ-REWPJTCUSA-N 2 1 400.611 3.777 20 0 HHADMP CC[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)[NH+]1CCc2ccccc2C1 ZINC000501396536 1004391078 /nfs/dbraw/zinc/39/10/78/1004391078.db2.gz FFLBRDNKAXLXGT-ZEQRLZLVSA-N 2 1 406.574 3.522 20 0 HHADMP CC[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)[NH+]1CCc2ccccc2C1 ZINC000501396536 1004391088 /nfs/dbraw/zinc/39/10/88/1004391088.db2.gz FFLBRDNKAXLXGT-ZEQRLZLVSA-N 2 1 406.574 3.522 20 0 HHADMP CC[C@@H](CNC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000501396536 1004391096 /nfs/dbraw/zinc/39/10/96/1004391096.db2.gz FFLBRDNKAXLXGT-ZEQRLZLVSA-N 2 1 406.574 3.522 20 0 HHADMP CC[C@@H](CNC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000501396536 1004391103 /nfs/dbraw/zinc/39/11/03/1004391103.db2.gz FFLBRDNKAXLXGT-ZEQRLZLVSA-N 2 1 406.574 3.522 20 0 HHADMP C[C@H](NC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501401990 1004393965 /nfs/dbraw/zinc/39/39/65/1004393965.db2.gz GTWPZCPIOAISMM-AVCGJXAMSA-N 2 1 412.553 3.638 20 0 HHADMP CC1(C)CC(NC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)CC(C)(C)[NH2+]1 ZINC000510227237 1004408520 /nfs/dbraw/zinc/40/85/20/1004408520.db2.gz HEPOUIHARCEFLG-UHFFFAOYSA-N 2 1 400.611 3.646 20 0 HHADMP C[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCC[C@H](C)C1 ZINC000501499769 1004469617 /nfs/dbraw/zinc/46/96/17/1004469617.db2.gz CCQIGYGUOOSZIJ-RBUKOAKNSA-N 2 1 407.002 3.678 20 0 HHADMP C[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCC[C@H](C)C1 ZINC000501499769 1004469620 /nfs/dbraw/zinc/46/96/20/1004469620.db2.gz CCQIGYGUOOSZIJ-RBUKOAKNSA-N 2 1 407.002 3.678 20 0 HHADMP C[C@H](CNC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000501499769 1004469626 /nfs/dbraw/zinc/46/96/26/1004469626.db2.gz CCQIGYGUOOSZIJ-RBUKOAKNSA-N 2 1 407.002 3.678 20 0 HHADMP C[C@H](CNC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000501499769 1004469632 /nfs/dbraw/zinc/46/96/32/1004469632.db2.gz CCQIGYGUOOSZIJ-RBUKOAKNSA-N 2 1 407.002 3.678 20 0 HHADMP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)(N2CCCCC2)CC1 ZINC000512662577 1004472805 /nfs/dbraw/zinc/47/28/05/1004472805.db2.gz YPOKUVOUKHJUAF-TWJOJJKGSA-N 3 1 424.677 3.827 20 0 HHADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000512673049 1004482407 /nfs/dbraw/zinc/48/24/07/1004482407.db2.gz MAFAILJSLVGUDM-ROUUACIJSA-N 2 1 401.986 3.721 20 0 HHADMP CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)Cc2ccccc21 ZINC000512676994 1004485538 /nfs/dbraw/zinc/48/55/38/1004485538.db2.gz GJESIHNPJCMBNS-XMMPIXPASA-N 2 1 421.585 3.880 20 0 HHADMP C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000512698709 1004502832 /nfs/dbraw/zinc/50/28/32/1004502832.db2.gz KWOSZMDBVRDTNK-QNWVGRARSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@H](NC(=O)N1CCC[NH+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512698709 1004502836 /nfs/dbraw/zinc/50/28/36/1004502836.db2.gz KWOSZMDBVRDTNK-QNWVGRARSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@H](NC(=O)N1CCC[NH+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512698709 1004502844 /nfs/dbraw/zinc/50/28/44/1004502844.db2.gz KWOSZMDBVRDTNK-QNWVGRARSA-N 2 1 412.622 3.945 20 0 HHADMP c1nn([C@H]2CC[NH+](CCC[N@H+]3CC[C@H](n4ncc5ccccc54)C3)C2)c2ccccc12 ZINC000510448125 1004573504 /nfs/dbraw/zinc/57/35/04/1004573504.db2.gz ZNICQQPPKLWBGO-GOTSBHOMSA-N 2 1 414.557 3.970 20 0 HHADMP C[C@@H](NC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000510488127 1004604620 /nfs/dbraw/zinc/60/46/20/1004604620.db2.gz GLHRRUZZLIPRSG-CTNGQTDRSA-N 2 1 412.622 3.776 20 0 HHADMP C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510488127 1004604622 /nfs/dbraw/zinc/60/46/22/1004604622.db2.gz GLHRRUZZLIPRSG-CTNGQTDRSA-N 2 1 412.622 3.776 20 0 HHADMP C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510488127 1004604623 /nfs/dbraw/zinc/60/46/23/1004604623.db2.gz GLHRRUZZLIPRSG-CTNGQTDRSA-N 2 1 412.622 3.776 20 0 HHADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cc(OC)ccc2OC)C1 ZINC000512844926 1004606016 /nfs/dbraw/zinc/60/60/16/1004606016.db2.gz JDUFWACVMFXYET-IBGZPJMESA-N 2 1 420.557 3.988 20 0 HHADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cc(OC)ccc2OC)C1 ZINC000512844927 1004606894 /nfs/dbraw/zinc/60/68/94/1004606894.db2.gz JDUFWACVMFXYET-LJQANCHMSA-N 2 1 420.557 3.988 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)Nc2cccc3ncccc32)CC1 ZINC000501763169 1004698790 /nfs/dbraw/zinc/69/87/90/1004698790.db2.gz AILONHOEXBFCLI-LJQANCHMSA-N 2 1 412.578 3.632 20 0 HHADMP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000501763320 1004699035 /nfs/dbraw/zinc/69/90/35/1004699035.db2.gz BQDKXZMWPUTKRO-INIZCTEOSA-N 2 1 413.965 3.877 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000501763320 1004699040 /nfs/dbraw/zinc/69/90/40/1004699040.db2.gz BQDKXZMWPUTKRO-INIZCTEOSA-N 2 1 413.965 3.877 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000501809163 1004749919 /nfs/dbraw/zinc/74/99/19/1004749919.db2.gz HUXPHGWBCCUSOH-RUZDIDTESA-N 2 1 405.586 3.783 20 0 HHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[NH+](C)C ZINC000501868341 1004786570 /nfs/dbraw/zinc/78/65/70/1004786570.db2.gz DZMFYQMBFHKKLS-AWWSKVOZSA-N 2 1 400.611 3.938 20 0 HHADMP O[C@]1(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000513212737 1004863783 /nfs/dbraw/zinc/86/37/83/1004863783.db2.gz PSJLOSNTVIKCQF-DEOSSOPVSA-N 2 1 413.993 3.531 20 0 HHADMP O[C@]1(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000513212737 1004863793 /nfs/dbraw/zinc/86/37/93/1004863793.db2.gz PSJLOSNTVIKCQF-DEOSSOPVSA-N 2 1 413.993 3.531 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@H]3CCC[N@@H+]3Cc3ccccc3)cc2)C[C@@H](C)O1 ZINC000513234640 1004874148 /nfs/dbraw/zinc/87/41/48/1004874148.db2.gz ZUYJQEUFYOUOOO-DNRQZRRGSA-N 2 1 421.585 3.690 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@H]3CCC[N@H+]3Cc3ccccc3)cc2)C[C@@H](C)O1 ZINC000513234640 1004874153 /nfs/dbraw/zinc/87/41/53/1004874153.db2.gz ZUYJQEUFYOUOOO-DNRQZRRGSA-N 2 1 421.585 3.690 20 0 HHADMP CN(C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000502147535 1004923437 /nfs/dbraw/zinc/92/34/37/1004923437.db2.gz KQGJYBGXAKQYTG-ZZJWQFMZSA-N 2 1 412.500 3.575 20 0 HHADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000513397653 1004943207 /nfs/dbraw/zinc/94/32/07/1004943207.db2.gz MTDIWJOTHZXMKC-SFTDATJTSA-N 2 1 405.533 3.621 20 0 HHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000510992929 1004970695 /nfs/dbraw/zinc/97/06/95/1004970695.db2.gz DNMHJELOGFGWCZ-QHCPKHFHSA-N 2 1 411.571 3.981 20 0 HHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000513449679 1004972061 /nfs/dbraw/zinc/97/20/61/1004972061.db2.gz ZKBQZKNQHFGMKK-DYESRHJHSA-N 2 1 401.348 3.793 20 0 HHADMP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511004306 1004975518 /nfs/dbraw/zinc/97/55/18/1004975518.db2.gz YEOUYAXOXKRWQU-VQIMIIECSA-N 2 1 405.384 3.924 20 0 HHADMP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511004306 1004975524 /nfs/dbraw/zinc/97/55/24/1004975524.db2.gz YEOUYAXOXKRWQU-VQIMIIECSA-N 2 1 405.384 3.924 20 0 HHADMP CCc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000511009766 1004978191 /nfs/dbraw/zinc/97/81/91/1004978191.db2.gz DBCKMVYNXYVXCY-HSZRJFAPSA-N 2 1 411.571 3.927 20 0 HHADMP C[NH+]1CCC2(CCCN2C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC1 ZINC000511027607 1004986829 /nfs/dbraw/zinc/98/68/29/1004986829.db2.gz HJUWAYJNXQEVSC-NRFANRHFSA-N 2 1 419.013 3.964 20 0 HHADMP C[NH+]1CCC2(CCCN2C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1 ZINC000511027607 1004986833 /nfs/dbraw/zinc/98/68/33/1004986833.db2.gz HJUWAYJNXQEVSC-NRFANRHFSA-N 2 1 419.013 3.964 20 0 HHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000502374701 1005043597 /nfs/dbraw/zinc/04/35/97/1005043597.db2.gz JWEPNVQGHYWBDT-HXUWFJFHSA-N 2 1 406.534 3.827 20 0 HHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000502374701 1005043602 /nfs/dbraw/zinc/04/36/02/1005043602.db2.gz JWEPNVQGHYWBDT-HXUWFJFHSA-N 2 1 406.534 3.827 20 0 HHADMP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000511253640 1005093556 /nfs/dbraw/zinc/09/35/56/1005093556.db2.gz WPGGXNAQJDFYEK-VQTJNVASSA-N 2 1 413.610 3.603 20 0 HHADMP C[C@@H](CCNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[NH+](C)Cc1ccccc1 ZINC000511254131 1005094088 /nfs/dbraw/zinc/09/40/88/1005094088.db2.gz YHFHAUGTJIFTQE-JAXLGGSGSA-N 2 1 400.611 3.849 20 0 HHADMP C[C@@H](CCNC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000511254131 1005094094 /nfs/dbraw/zinc/09/40/94/1005094094.db2.gz YHFHAUGTJIFTQE-JAXLGGSGSA-N 2 1 400.611 3.849 20 0 HHADMP C[C@@H](CCNC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000511254131 1005094101 /nfs/dbraw/zinc/09/41/01/1005094101.db2.gz YHFHAUGTJIFTQE-JAXLGGSGSA-N 2 1 400.611 3.849 20 0 HHADMP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511266313 1005098087 /nfs/dbraw/zinc/09/80/87/1005098087.db2.gz DEQCDJNKJXRVJH-HKUYNNGSSA-N 2 1 422.564 3.691 20 0 HHADMP C[NH+]1CCC(CCNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000511541689 1005216458 /nfs/dbraw/zinc/21/64/58/1005216458.db2.gz TXJHOPWQUVTUMT-LOSJGSFVSA-N 2 1 420.601 3.686 20 0 HHADMP C[C@@H](CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000502788678 1005217889 /nfs/dbraw/zinc/21/78/89/1005217889.db2.gz IIHCOWNWKYXQBU-RBKXMNCYSA-N 2 1 400.611 3.849 20 0 HHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000514021344 1005231339 /nfs/dbraw/zinc/23/13/39/1005231339.db2.gz YNFHSAUVHKIVIH-CEXWTWQISA-N 2 1 421.029 3.970 20 0 HHADMP COc1cccc([C@H](CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)[NH+]2CCCC2)c1 ZINC000502843699 1005240835 /nfs/dbraw/zinc/24/08/35/1005240835.db2.gz JPRXXRPXNIPTDH-OFNKIYASSA-N 2 1 416.610 3.786 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000514108115 1005268979 /nfs/dbraw/zinc/26/89/79/1005268979.db2.gz VJQOGGHXZVOELL-GMAHTHKFSA-N 2 1 415.626 3.732 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000514108115 1005268983 /nfs/dbraw/zinc/26/89/83/1005268983.db2.gz VJQOGGHXZVOELL-GMAHTHKFSA-N 2 1 415.626 3.732 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000514108115 1005268989 /nfs/dbraw/zinc/26/89/89/1005268989.db2.gz VJQOGGHXZVOELL-GMAHTHKFSA-N 2 1 415.626 3.732 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000514110338 1005270022 /nfs/dbraw/zinc/27/00/22/1005270022.db2.gz CSAILVJYNNHGPI-ADYITMSISA-N 2 1 400.611 3.879 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000514110338 1005270025 /nfs/dbraw/zinc/27/00/25/1005270025.db2.gz CSAILVJYNNHGPI-ADYITMSISA-N 2 1 400.611 3.879 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000514110338 1005270027 /nfs/dbraw/zinc/27/00/27/1005270027.db2.gz CSAILVJYNNHGPI-ADYITMSISA-N 2 1 400.611 3.879 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000511678369 1005273036 /nfs/dbraw/zinc/27/30/36/1005273036.db2.gz ZGGQKOVSHIFNQO-AUSIDOKSSA-N 2 1 409.599 3.801 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC000514201320 1005309955 /nfs/dbraw/zinc/30/99/55/1005309955.db2.gz FBEQFPWVIQXYGB-FYYLOGMGSA-N 2 1 424.589 3.652 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[NH+](C)C ZINC000514201320 1005309959 /nfs/dbraw/zinc/30/99/59/1005309959.db2.gz FBEQFPWVIQXYGB-FYYLOGMGSA-N 2 1 424.589 3.652 20 0 HHADMP C[C@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000503028536 1005320131 /nfs/dbraw/zinc/32/01/31/1005320131.db2.gz DINZFGHXRVQXLV-OAQYLSRUSA-N 2 1 408.590 3.813 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCC[NH+](C)C1CCCCC1 ZINC000514227273 1005321797 /nfs/dbraw/zinc/32/17/97/1005321797.db2.gz YRVZXENJCCEJKJ-QHCPKHFHSA-N 2 1 415.626 3.732 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000514227273 1005321803 /nfs/dbraw/zinc/32/18/03/1005321803.db2.gz YRVZXENJCCEJKJ-QHCPKHFHSA-N 2 1 415.626 3.732 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000514227273 1005321806 /nfs/dbraw/zinc/32/18/06/1005321806.db2.gz YRVZXENJCCEJKJ-QHCPKHFHSA-N 2 1 415.626 3.732 20 0 HHADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 ZINC000514241839 1005329061 /nfs/dbraw/zinc/32/90/61/1005329061.db2.gz JJMKQBGDVNAUKH-MRXNPFEDSA-N 2 1 409.452 3.642 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 ZINC000514241839 1005329064 /nfs/dbraw/zinc/32/90/64/1005329064.db2.gz JJMKQBGDVNAUKH-MRXNPFEDSA-N 2 1 409.452 3.642 20 0 HHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000503059032 1005331417 /nfs/dbraw/zinc/33/14/17/1005331417.db2.gz MKBJLJPFIUZKHV-HXUWFJFHSA-N 2 1 400.611 3.803 20 0 HHADMP O=C(NCCC[NH+]1CCCC1)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000503091503 1005345132 /nfs/dbraw/zinc/34/51/32/1005345132.db2.gz URSVQESPQIGLSN-OAQYLSRUSA-N 2 1 412.603 3.633 20 0 HHADMP O=C(NCCC[NH+]1CCCC1)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000503091503 1005345135 /nfs/dbraw/zinc/34/51/35/1005345135.db2.gz URSVQESPQIGLSN-OAQYLSRUSA-N 2 1 412.603 3.633 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[N@@H+]1CCc2sccc2C1 ZINC000503328514 1005391391 /nfs/dbraw/zinc/39/13/91/1005391391.db2.gz LODLVGGPLRUXJT-VQTJNVASSA-N 2 1 418.651 3.648 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[N@H+]1CCc2sccc2C1 ZINC000503328514 1005391393 /nfs/dbraw/zinc/39/13/93/1005391393.db2.gz LODLVGGPLRUXJT-VQTJNVASSA-N 2 1 418.651 3.648 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000503398556 1005408077 /nfs/dbraw/zinc/40/80/77/1005408077.db2.gz JXKBUGINOJADIT-JTHBVZDNSA-N 2 1 400.611 3.505 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000503398556 1005408079 /nfs/dbraw/zinc/40/80/79/1005408079.db2.gz JXKBUGINOJADIT-JTHBVZDNSA-N 2 1 400.611 3.505 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000503398556 1005408082 /nfs/dbraw/zinc/40/80/82/1005408082.db2.gz JXKBUGINOJADIT-JTHBVZDNSA-N 2 1 400.611 3.505 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000503473395 1005431309 /nfs/dbraw/zinc/43/13/09/1005431309.db2.gz NWQUAAQIIYLLCH-ZCYQVOJMSA-N 2 1 420.601 3.687 20 0 HHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cn(-c4ccccc4)nc3-c3ccccc3)C2)CC1 ZINC000503619563 1005466780 /nfs/dbraw/zinc/46/67/80/1005466780.db2.gz YELVJWVZQQVHHR-VWLOTQADSA-N 2 1 415.585 3.751 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)CC1 ZINC000503765308 1005490731 /nfs/dbraw/zinc/49/07/31/1005490731.db2.gz OEQZNNQBNQTKHY-XMMPIXPASA-N 2 1 414.638 3.705 20 0 HHADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000503765308 1005490733 /nfs/dbraw/zinc/49/07/33/1005490733.db2.gz OEQZNNQBNQTKHY-XMMPIXPASA-N 2 1 414.638 3.705 20 0 HHADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000503765308 1005490736 /nfs/dbraw/zinc/49/07/36/1005490736.db2.gz OEQZNNQBNQTKHY-XMMPIXPASA-N 2 1 414.638 3.705 20 0 HHADMP O=C(C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N[C@H]1CCOc2ccccc21 ZINC000503888726 1005505371 /nfs/dbraw/zinc/50/53/71/1005505371.db2.gz BOWZYKSWYRSFEO-ONTLXTELSA-N 2 1 419.569 3.517 20 0 HHADMP O=C(C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N[C@H]1CCOc2ccccc21 ZINC000503888723 1005505431 /nfs/dbraw/zinc/50/54/31/1005505431.db2.gz BOWZYKSWYRSFEO-BUZMGHMJSA-N 2 1 419.569 3.517 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000514441861 1005992602 /nfs/dbraw/zinc/99/26/02/1005992602.db2.gz KXRCVEKMMFKKLY-HSZRJFAPSA-N 2 1 421.589 3.515 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000514441862 1005992704 /nfs/dbraw/zinc/99/27/04/1005992704.db2.gz KXRCVEKMMFKKLY-QHCPKHFHSA-N 2 1 421.589 3.515 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3csc(-c4ccccn4)n3)CC2)CC1 ZINC000531191021 1006036625 /nfs/dbraw/zinc/03/66/25/1006036625.db2.gz BFHDBSJRGVJWOI-UHFFFAOYSA-N 2 1 413.635 3.833 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3csc(-c4ccccn4)n3)CC2)CC1 ZINC000531191021 1006036638 /nfs/dbraw/zinc/03/66/38/1006036638.db2.gz BFHDBSJRGVJWOI-UHFFFAOYSA-N 2 1 413.635 3.833 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000531204102 1006044561 /nfs/dbraw/zinc/04/45/61/1006044561.db2.gz LYMJCNBNSHUTNN-NRFANRHFSA-N 2 1 406.574 3.729 20 0 HHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000531227890 1006059202 /nfs/dbraw/zinc/05/92/02/1006059202.db2.gz IJYQMRVLSNMXQH-LQWHRVPQSA-N 2 1 404.986 3.745 20 0 HHADMP CCC(CC)(CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000531300493 1006103331 /nfs/dbraw/zinc/10/33/31/1006103331.db2.gz WMBDFAXTRWYCOI-RLWLMLJZSA-N 2 1 423.601 3.649 20 0 HHADMP C[NH+]1CCN(C[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc2)CC1 ZINC000514838590 1006167351 /nfs/dbraw/zinc/16/73/51/1006167351.db2.gz TWAGAKALPBWRTG-NFGXINMFSA-N 2 1 418.629 3.760 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000534181447 1006168989 /nfs/dbraw/zinc/16/89/89/1006168989.db2.gz FOWCWPQJODMGAN-RPBOFIJWSA-N 2 1 423.601 3.531 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000534181447 1006168992 /nfs/dbraw/zinc/16/89/92/1006168992.db2.gz FOWCWPQJODMGAN-RPBOFIJWSA-N 2 1 423.601 3.531 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000534181447 1006168999 /nfs/dbraw/zinc/16/89/99/1006168999.db2.gz FOWCWPQJODMGAN-RPBOFIJWSA-N 2 1 423.601 3.531 20 0 HHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534205375 1006197377 /nfs/dbraw/zinc/19/73/77/1006197377.db2.gz ZUDMVVLGTMHECQ-MDYRTPRTSA-N 2 1 410.965 3.501 20 0 HHADMP CC(C)[NH+]1CC[C@H](CNC(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534205375 1006197381 /nfs/dbraw/zinc/19/73/81/1006197381.db2.gz ZUDMVVLGTMHECQ-MDYRTPRTSA-N 2 1 410.965 3.501 20 0 HHADMP CC(C)[NH+]1CC[C@H](CNC(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534205375 1006197390 /nfs/dbraw/zinc/19/73/90/1006197390.db2.gz ZUDMVVLGTMHECQ-MDYRTPRTSA-N 2 1 410.965 3.501 20 0 HHADMP C[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C[NH+]1CCCC1 ZINC000534207380 1006200722 /nfs/dbraw/zinc/20/07/22/1006200722.db2.gz XAJNVNCZLRBBQW-OXFYSEKESA-N 2 1 410.965 3.503 20 0 HHADMP O=C1[C@@H]([NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CCCN1CC(F)(F)F ZINC000534232363 1006233447 /nfs/dbraw/zinc/23/34/47/1006233447.db2.gz GPWLMVLTHICWFS-IBGZPJMESA-N 2 1 409.496 3.528 20 0 HHADMP O=C1[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCCN1CC(F)(F)F ZINC000534232363 1006233460 /nfs/dbraw/zinc/23/34/60/1006233460.db2.gz GPWLMVLTHICWFS-IBGZPJMESA-N 2 1 409.496 3.528 20 0 HHADMP C[N@H+]1CC[C@@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534251451 1006259794 /nfs/dbraw/zinc/25/97/94/1006259794.db2.gz OXDIIVIGFVYYBF-NLEAXPPASA-N 2 1 422.976 3.598 20 0 HHADMP C[NH+]1CC[C@@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534251451 1006259806 /nfs/dbraw/zinc/25/98/06/1006259806.db2.gz OXDIIVIGFVYYBF-NLEAXPPASA-N 2 1 422.976 3.598 20 0 HHADMP C[NH+]1CC[C@@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534251451 1006259812 /nfs/dbraw/zinc/25/98/12/1006259812.db2.gz OXDIIVIGFVYYBF-NLEAXPPASA-N 2 1 422.976 3.598 20 0 HHADMP COCCC[NH+]1CCC([NH2+]Cc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)CC1 ZINC000531594581 1006292784 /nfs/dbraw/zinc/29/27/84/1006292784.db2.gz RAQHFASXNNHLFO-UHFFFAOYSA-N 2 1 414.594 3.904 20 0 HHADMP COc1c(Br)cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1Br ZINC000534342432 1006308944 /nfs/dbraw/zinc/30/89/44/1006308944.db2.gz FKOFFFQONBFXEU-GFCCVEGCSA-N 2 1 420.189 3.994 20 0 HHADMP COc1c(Br)cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1Br ZINC000534342432 1006308949 /nfs/dbraw/zinc/30/89/49/1006308949.db2.gz FKOFFFQONBFXEU-GFCCVEGCSA-N 2 1 420.189 3.994 20 0 HHADMP COc1c(Br)cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1Br ZINC000534342432 1006308958 /nfs/dbraw/zinc/30/89/58/1006308958.db2.gz FKOFFFQONBFXEU-GFCCVEGCSA-N 2 1 420.189 3.994 20 0 HHADMP COc1c(Br)cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1Br ZINC000534342432 1006308967 /nfs/dbraw/zinc/30/89/67/1006308967.db2.gz FKOFFFQONBFXEU-GFCCVEGCSA-N 2 1 420.189 3.994 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)CC1 ZINC000531643857 1006324495 /nfs/dbraw/zinc/32/44/95/1006324495.db2.gz JVVSIGVYIYJEHH-UHFFFAOYSA-N 2 1 403.464 3.513 20 0 HHADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000531677279 1006349043 /nfs/dbraw/zinc/34/90/43/1006349043.db2.gz FJSJWWNYBOPTEK-GCJKJVERSA-N 2 1 409.603 3.882 20 0 HHADMP Fc1ccc(N2CCN(c3cc(C[NH2+]C4CC[NH+](CC5CC5)CC4)ccn3)CC2)cc1 ZINC000531699898 1006362877 /nfs/dbraw/zinc/36/28/77/1006362877.db2.gz RSROWRNYCAPKLF-UHFFFAOYSA-N 2 1 423.580 3.511 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000531725987 1006381153 /nfs/dbraw/zinc/38/11/53/1006381153.db2.gz WJTWVXPNNLOXAV-DXIQSLLYSA-N 2 1 415.603 3.641 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000531725987 1006381164 /nfs/dbraw/zinc/38/11/64/1006381164.db2.gz WJTWVXPNNLOXAV-DXIQSLLYSA-N 2 1 415.603 3.641 20 0 HHADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)CC[C@@H]21 ZINC000531738868 1006389865 /nfs/dbraw/zinc/38/98/65/1006389865.db2.gz CLNBIIAZQBAOGW-QMMLZNLJSA-N 2 1 404.986 3.603 20 0 HHADMP Cc1cc(CNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(N2CCCC2)[nH+]1 ZINC000515334822 1006405391 /nfs/dbraw/zinc/40/53/91/1006405391.db2.gz IFJXRBMGLSOVLM-QFIPXVFZSA-N 2 1 421.589 3.654 20 0 HHADMP Cc1cc(CNC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(N2CCCC2)[nH+]1 ZINC000515334822 1006405397 /nfs/dbraw/zinc/40/53/97/1006405397.db2.gz IFJXRBMGLSOVLM-QFIPXVFZSA-N 2 1 421.589 3.654 20 0 HHADMP COc1cccc(CNC(=O)[C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000515518741 1006511262 /nfs/dbraw/zinc/51/12/62/1006511262.db2.gz MXIYZWXNLBCKLA-UXHICEINSA-N 2 1 409.574 3.722 20 0 HHADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531932199 1006529368 /nfs/dbraw/zinc/52/93/68/1006529368.db2.gz IUDWJBBSKZDFHC-GHTZIAJQSA-N 2 1 414.619 3.606 20 0 HHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000531940064 1006533744 /nfs/dbraw/zinc/53/37/44/1006533744.db2.gz VBVODXQEUACHHX-REWPJTCUSA-N 2 1 409.574 3.877 20 0 HHADMP COc1ccc([C@H](C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)N2CCOCC2)cc1 ZINC000531947736 1006537545 /nfs/dbraw/zinc/53/75/45/1006537545.db2.gz KYYZKNBIKSAVMA-XRODADMRSA-N 2 1 415.622 3.701 20 0 HHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000531970816 1006552719 /nfs/dbraw/zinc/55/27/19/1006552719.db2.gz OOTXJXMXAXNXHI-RBUKOAKNSA-N 2 1 407.624 3.680 20 0 HHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000531970816 1006552731 /nfs/dbraw/zinc/55/27/31/1006552731.db2.gz OOTXJXMXAXNXHI-RBUKOAKNSA-N 2 1 407.624 3.680 20 0 HHADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000531976296 1006555951 /nfs/dbraw/zinc/55/59/51/1006555951.db2.gz WLNVPZUOADQIBC-WZONZLPQSA-N 2 1 415.965 3.592 20 0 HHADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000531976296 1006555958 /nfs/dbraw/zinc/55/59/58/1006555958.db2.gz WLNVPZUOADQIBC-WZONZLPQSA-N 2 1 415.965 3.592 20 0 HHADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531976241 1006556384 /nfs/dbraw/zinc/55/63/84/1006556384.db2.gz AJXJSYFRDZFGSC-NBGIEHNGSA-N 2 1 409.574 3.754 20 0 HHADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531976241 1006556388 /nfs/dbraw/zinc/55/63/88/1006556388.db2.gz AJXJSYFRDZFGSC-NBGIEHNGSA-N 2 1 409.574 3.754 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)C[NH+]1CCCCC1 ZINC000515824120 1006701340 /nfs/dbraw/zinc/70/13/40/1006701340.db2.gz HYKGMQIKAVCEPR-IBGZPJMESA-N 2 1 407.002 3.679 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)C[NH+]1CCCCC1 ZINC000515824120 1006701351 /nfs/dbraw/zinc/70/13/51/1006701351.db2.gz HYKGMQIKAVCEPR-IBGZPJMESA-N 2 1 407.002 3.679 20 0 HHADMP COc1ccc([C@H](C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)N2CCOCC2)cc1 ZINC000532204141 1006718914 /nfs/dbraw/zinc/71/89/14/1006718914.db2.gz IGFJAAKJLASGDX-OPXMRZJTSA-N 2 1 415.622 3.701 20 0 HHADMP CC[NH+](CC)CCN(CC(C)C)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000515911370 1006756387 /nfs/dbraw/zinc/75/63/87/1006756387.db2.gz LKDOLFZKKKSDCO-UHFFFAOYSA-N 2 1 424.580 3.939 20 0 HHADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000532409900 1006854801 /nfs/dbraw/zinc/85/48/01/1006854801.db2.gz HZBCTMLOIYNULZ-CEXWTWQISA-N 2 1 422.013 3.681 20 0 HHADMP C[N@@H+]1CC[C@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534844080 1006863802 /nfs/dbraw/zinc/86/38/02/1006863802.db2.gz FTEKUQNOXQERCF-SFTDATJTSA-N 2 1 404.986 3.745 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534844080 1006863804 /nfs/dbraw/zinc/86/38/04/1006863804.db2.gz FTEKUQNOXQERCF-SFTDATJTSA-N 2 1 404.986 3.745 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534844080 1006863810 /nfs/dbraw/zinc/86/38/10/1006863810.db2.gz FTEKUQNOXQERCF-SFTDATJTSA-N 2 1 404.986 3.745 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534844080 1006863824 /nfs/dbraw/zinc/86/38/24/1006863824.db2.gz FTEKUQNOXQERCF-SFTDATJTSA-N 2 1 404.986 3.745 20 0 HHADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000532442215 1006885541 /nfs/dbraw/zinc/88/55/41/1006885541.db2.gz KTHIYTJCSGKWHA-JXFKEZNVSA-N 2 1 412.603 3.617 20 0 HHADMP C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000532473686 1006913083 /nfs/dbraw/zinc/91/30/83/1006913083.db2.gz JFEZXLGHDAKDGX-FQEVSTJZSA-N 2 1 423.557 3.850 20 0 HHADMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC1 ZINC000532486822 1006927329 /nfs/dbraw/zinc/92/73/29/1006927329.db2.gz SGBUWHVEQHNUNU-UHFFFAOYSA-N 2 1 401.551 3.720 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538663096 1006938854 /nfs/dbraw/zinc/93/88/54/1006938854.db2.gz QXNCSYROSDXDLC-JRGCBEDISA-N 2 1 422.976 3.881 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538663096 1006938866 /nfs/dbraw/zinc/93/88/66/1006938866.db2.gz QXNCSYROSDXDLC-JRGCBEDISA-N 2 1 422.976 3.881 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538663096 1006938875 /nfs/dbraw/zinc/93/88/75/1006938875.db2.gz QXNCSYROSDXDLC-JRGCBEDISA-N 2 1 422.976 3.881 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538663096 1006938889 /nfs/dbraw/zinc/93/88/89/1006938889.db2.gz QXNCSYROSDXDLC-JRGCBEDISA-N 2 1 422.976 3.881 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1sccc1Br ZINC000532498103 1006940291 /nfs/dbraw/zinc/94/02/91/1006940291.db2.gz ACOHIDFGOKQRLD-CYBMUJFWSA-N 2 1 410.381 3.653 20 0 HHADMP CC1(C)C[C@@H]([N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)Cc2ccccc2)C(C)(C)O1 ZINC000538663782 1006942390 /nfs/dbraw/zinc/94/23/90/1006942390.db2.gz FIYDGVPKXWMKRT-JOCHJYFZSA-N 2 1 413.606 3.578 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCSc3ccc(C)c(C)c3)CC2)CC1 ZINC000532555545 1006987114 /nfs/dbraw/zinc/98/71/14/1006987114.db2.gz VHGCYDKSPUHBNR-UHFFFAOYSA-N 2 1 403.636 3.662 20 0 HHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c3ccc4ccccc4c3)C2)CC1 ZINC000532568031 1007000139 /nfs/dbraw/zinc/00/01/39/1007000139.db2.gz YARNQINEERPPJJ-WATLYSKOSA-N 2 1 422.617 3.506 20 0 HHADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c3ccc4ccccc4c3)C2)CC1 ZINC000532568031 1007000153 /nfs/dbraw/zinc/00/01/53/1007000153.db2.gz YARNQINEERPPJJ-WATLYSKOSA-N 2 1 422.617 3.506 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cnn(-c4ccc(F)cc4)c3)CC2)CC1 ZINC000538724921 1007002866 /nfs/dbraw/zinc/00/28/66/1007002866.db2.gz JEDCBQABTZLRKD-UHFFFAOYSA-N 2 1 413.585 3.640 20 0 HHADMP C[N@@H+](CCNC(=O)NC[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000534963305 1007013018 /nfs/dbraw/zinc/01/30/18/1007013018.db2.gz YXZSTTQWPRUUBS-UZLBHIALSA-N 2 1 410.965 3.646 20 0 HHADMP C[NH+](CCNC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000534963305 1007013032 /nfs/dbraw/zinc/01/30/32/1007013032.db2.gz YXZSTTQWPRUUBS-UZLBHIALSA-N 2 1 410.965 3.646 20 0 HHADMP C[NH+](CCNC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000534963305 1007013047 /nfs/dbraw/zinc/01/30/47/1007013047.db2.gz YXZSTTQWPRUUBS-UZLBHIALSA-N 2 1 410.965 3.646 20 0 HHADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000516320514 1007013708 /nfs/dbraw/zinc/01/37/08/1007013708.db2.gz OOQVAYQOWIBPGP-BZUAXINKSA-N 2 1 400.489 3.518 20 0 HHADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000516320514 1007013722 /nfs/dbraw/zinc/01/37/22/1007013722.db2.gz OOQVAYQOWIBPGP-BZUAXINKSA-N 2 1 400.489 3.518 20 0 HHADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000516320513 1007013859 /nfs/dbraw/zinc/01/38/59/1007013859.db2.gz OOQVAYQOWIBPGP-ARFHVFGLSA-N 2 1 400.489 3.518 20 0 HHADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000516320513 1007013875 /nfs/dbraw/zinc/01/38/75/1007013875.db2.gz OOQVAYQOWIBPGP-ARFHVFGLSA-N 2 1 400.489 3.518 20 0 HHADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534967984 1007021461 /nfs/dbraw/zinc/02/14/61/1007021461.db2.gz WHCCEDHNNQCIRZ-IBGZPJMESA-N 2 1 421.541 3.730 20 0 HHADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534967984 1007021476 /nfs/dbraw/zinc/02/14/76/1007021476.db2.gz WHCCEDHNNQCIRZ-IBGZPJMESA-N 2 1 421.541 3.730 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1cccc(OC)c1 ZINC000516333298 1007022993 /nfs/dbraw/zinc/02/29/93/1007022993.db2.gz PPNVWFLDAGEPAU-ISKFKSNPSA-N 2 1 424.589 3.502 20 0 HHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)C1 ZINC000538750843 1007035851 /nfs/dbraw/zinc/03/58/51/1007035851.db2.gz BQZOICIWMPMBAP-IBGZPJMESA-N 2 1 406.521 3.700 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534986181 1007045096 /nfs/dbraw/zinc/04/50/96/1007045096.db2.gz GWVDAQOGOBILMK-DBXWQHBBSA-N 2 1 422.976 3.742 20 0 HHADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3nc4ccc(Cl)cc4n3C)CC2)C[C@@H](C)O1 ZINC000538763606 1007048528 /nfs/dbraw/zinc/04/85/28/1007048528.db2.gz MSLPYHGKYBSJLI-IAGOWNOFSA-N 2 1 404.986 3.938 20 0 HHADMP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000532627443 1007049251 /nfs/dbraw/zinc/04/92/51/1007049251.db2.gz RTAOQPMGTOYTRM-UXHICEINSA-N 2 1 421.379 3.582 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000535036059 1007074755 /nfs/dbraw/zinc/07/47/55/1007074755.db2.gz JRRNIIFFYPLTHX-SFTDATJTSA-N 2 1 406.574 3.728 20 0 HHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000539020178 1007317252 /nfs/dbraw/zinc/31/72/52/1007317252.db2.gz FNYSWMAGCZGGJQ-XXBNENTESA-N 2 1 419.635 3.604 20 0 HHADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000539020176 1007317310 /nfs/dbraw/zinc/31/73/10/1007317310.db2.gz FNYSWMAGCZGGJQ-CVDCTZTESA-N 2 1 419.635 3.604 20 0 HHADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000539062583 1007355987 /nfs/dbraw/zinc/35/59/87/1007355987.db2.gz WPTDINBUUCWADK-IPMKNSEASA-N 2 1 409.368 3.630 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000517094185 1007406712 /nfs/dbraw/zinc/40/67/12/1007406712.db2.gz MCVAJJGSDYOROA-UHFFFAOYSA-N 2 1 423.601 3.805 20 0 HHADMP C[C@@H](CNC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000517138661 1007452792 /nfs/dbraw/zinc/45/27/92/1007452792.db2.gz ZCBPLUJIRVKKMZ-FQEVSTJZSA-N 2 1 406.574 3.586 20 0 HHADMP C[C@@H](CNC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000517138661 1007452799 /nfs/dbraw/zinc/45/27/99/1007452799.db2.gz ZCBPLUJIRVKKMZ-FQEVSTJZSA-N 2 1 406.574 3.586 20 0 HHADMP Cc1ccc(S(=O)(=O)CCC[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000539221101 1007514239 /nfs/dbraw/zinc/51/42/39/1007514239.db2.gz SHDKBSVIFKGSHY-UHFFFAOYSA-N 2 1 415.603 3.792 20 0 HHADMP C[N@@H+]1CC[C@H](NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000535560007 1007593685 /nfs/dbraw/zinc/59/36/85/1007593685.db2.gz PUHPZEXQZMZNHG-HKBOAZHASA-N 2 1 404.986 3.745 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000535560007 1007593716 /nfs/dbraw/zinc/59/37/16/1007593716.db2.gz PUHPZEXQZMZNHG-HKBOAZHASA-N 2 1 404.986 3.745 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2F)CC1 ZINC000539310740 1007609136 /nfs/dbraw/zinc/60/91/36/1007609136.db2.gz JRZSQEMUCKHZEG-QGZVFWFLSA-N 2 1 416.516 3.704 20 0 HHADMP Cc1cc(CNC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc(N2CCCC2)[nH+]1 ZINC000517381878 1007612253 /nfs/dbraw/zinc/61/22/53/1007612253.db2.gz LCILKXCQIQVKBV-UHFFFAOYSA-N 2 1 421.589 3.762 20 0 HHADMP CC[C@H](N[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000539315229 1007613652 /nfs/dbraw/zinc/61/36/52/1007613652.db2.gz UFTFQCOOHVBDKL-WVBUVRCRSA-N 2 1 401.501 3.785 20 0 HHADMP CC[C@H]([NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000539315229 1007613660 /nfs/dbraw/zinc/61/36/60/1007613660.db2.gz UFTFQCOOHVBDKL-WVBUVRCRSA-N 2 1 401.501 3.785 20 0 HHADMP CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2csc(N(C)C3CC3)n2)CC1 ZINC000539315705 1007614715 /nfs/dbraw/zinc/61/47/15/1007614715.db2.gz YANSBDXOVAXMBP-MRXNPFEDSA-N 2 1 417.598 3.874 20 0 HHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc3cnccn23)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000533329943 1007639999 /nfs/dbraw/zinc/63/99/99/1007639999.db2.gz XQHNAPJHPAUFJI-UZLBHIALSA-N 2 1 403.452 3.921 20 0 HHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc3cnccn23)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000533329943 1007640005 /nfs/dbraw/zinc/64/00/05/1007640005.db2.gz XQHNAPJHPAUFJI-UZLBHIALSA-N 2 1 403.452 3.921 20 0 HHADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000535673686 1007695526 /nfs/dbraw/zinc/69/55/26/1007695526.db2.gz BNGGMMGEFGMEFR-JOCHJYFZSA-N 2 1 410.606 3.701 20 0 HHADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535673686 1007695534 /nfs/dbraw/zinc/69/55/34/1007695534.db2.gz BNGGMMGEFGMEFR-JOCHJYFZSA-N 2 1 410.606 3.701 20 0 HHADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535673686 1007695543 /nfs/dbraw/zinc/69/55/43/1007695543.db2.gz BNGGMMGEFGMEFR-JOCHJYFZSA-N 2 1 410.606 3.701 20 0 HHADMP CCOCCC[N@H+]1CC[C@H](N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)[C@@H](C)C1 ZINC000539395519 1007700916 /nfs/dbraw/zinc/70/09/16/1007700916.db2.gz PPKBKGSKZDZQQH-PMVMPFDFSA-N 2 1 415.622 3.701 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)[C@@H](C)C1 ZINC000539395519 1007700926 /nfs/dbraw/zinc/70/09/26/1007700926.db2.gz PPKBKGSKZDZQQH-PMVMPFDFSA-N 3 1 415.622 3.701 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)[C@@H](C)C1 ZINC000539395519 1007700940 /nfs/dbraw/zinc/70/09/40/1007700940.db2.gz PPKBKGSKZDZQQH-PMVMPFDFSA-N 3 1 415.622 3.701 20 0 HHADMP CCOc1ccc([C@@H]2CCCN2C(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000533409467 1007718316 /nfs/dbraw/zinc/71/83/16/1007718316.db2.gz YUXMACMPDFWAMR-QHCPKHFHSA-N 2 1 401.595 3.801 20 0 HHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000517503862 1007725749 /nfs/dbraw/zinc/72/57/49/1007725749.db2.gz GPLZNNUZDRFDPE-FQEVSTJZSA-N 2 1 406.640 3.914 20 0 HHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000517503863 1007726539 /nfs/dbraw/zinc/72/65/39/1007726539.db2.gz GPLZNNUZDRFDPE-HXUWFJFHSA-N 2 1 406.640 3.914 20 0 HHADMP C[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](C3CCCC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535697536 1007733278 /nfs/dbraw/zinc/73/32/78/1007733278.db2.gz AUTRCQYKCCOTQS-LAUBAEHRSA-N 2 1 422.976 3.742 20 0 HHADMP C[NH+](C)CCC1CCN(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535699976 1007735578 /nfs/dbraw/zinc/73/55/78/1007735578.db2.gz KZZGCKVDMCPPHD-RXVVDRJESA-N 2 1 424.992 3.845 20 0 HHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(-c4ccccc4)nc4ccccn43)C2)CC1 ZINC000533445534 1007760278 /nfs/dbraw/zinc/76/02/78/1007760278.db2.gz HKVMCSDRVRGLHP-QFIPXVFZSA-N 2 1 403.574 3.602 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000535809210 1007820301 /nfs/dbraw/zinc/82/03/01/1007820301.db2.gz LJXUAWLABZONKU-ZLNRFVROSA-N 2 1 410.606 3.912 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000535809210 1007820312 /nfs/dbraw/zinc/82/03/12/1007820312.db2.gz LJXUAWLABZONKU-ZLNRFVROSA-N 2 1 410.606 3.912 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)CC1 ZINC000535815225 1007826186 /nfs/dbraw/zinc/82/61/86/1007826186.db2.gz JMRYABNRBUJHKY-UHFFFAOYSA-N 2 1 412.578 3.801 20 0 HHADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000517642180 1007852336 /nfs/dbraw/zinc/85/23/36/1007852336.db2.gz MYFMURLKOKAAFQ-HBMCJLEFSA-N 2 1 415.622 3.926 20 0 HHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000517642180 1007852352 /nfs/dbraw/zinc/85/23/52/1007852352.db2.gz MYFMURLKOKAAFQ-HBMCJLEFSA-N 2 1 415.622 3.926 20 0 HHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000517642180 1007852365 /nfs/dbraw/zinc/85/23/65/1007852365.db2.gz MYFMURLKOKAAFQ-HBMCJLEFSA-N 2 1 415.622 3.926 20 0 HHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000517642180 1007852377 /nfs/dbraw/zinc/85/23/77/1007852377.db2.gz MYFMURLKOKAAFQ-HBMCJLEFSA-N 2 1 415.622 3.926 20 0 HHADMP Cc1cc(C)n2c(C[NH2+]CCc3ccc(OCC[N@@H+]4C[C@H](C)[C@H](C)C4)cc3)cnc2n1 ZINC000539553974 1007866865 /nfs/dbraw/zinc/86/68/65/1007866865.db2.gz MPBNQXJPTJTJAE-KDURUIRLSA-N 2 1 421.589 3.645 20 0 HHADMP Cc1nc(C[NH+]2CCC(CNC(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)oc1C ZINC000517698202 1007912307 /nfs/dbraw/zinc/91/23/07/1007912307.db2.gz MRIYUHSAJVNBFB-UHFFFAOYSA-N 2 1 410.562 3.529 20 0 HHADMP COc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)cc1 ZINC000517728031 1007934011 /nfs/dbraw/zinc/93/40/11/1007934011.db2.gz FSCONJUKENJUFU-ILBGXUMGSA-N 2 1 421.585 3.861 20 0 HHADMP CCOCCC[N@H+]1CC[C@H](Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)[C@@H](C)C1 ZINC000539627178 1007943844 /nfs/dbraw/zinc/94/38/44/1007943844.db2.gz MUYGDGFKVOJYTE-OFVILXPXSA-N 2 1 414.638 3.768 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000539651689 1007969769 /nfs/dbraw/zinc/96/97/69/1007969769.db2.gz RKSCIKTVOJFUOR-NBGIEHNGSA-N 2 1 408.590 3.608 20 0 HHADMP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000518015917 1008105092 /nfs/dbraw/zinc/10/50/92/1008105092.db2.gz YQJQZAQOPNNGFS-PZJWPPBQSA-N 2 1 404.986 3.793 20 0 HHADMP COc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)[NH+]2CCCCC2)cc1 ZINC000518016672 1008106011 /nfs/dbraw/zinc/10/60/11/1008106011.db2.gz OEKRJUQMMSRXAF-OFNKIYASSA-N 2 1 414.594 3.538 20 0 HHADMP COc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000539820837 1008114959 /nfs/dbraw/zinc/11/49/59/1008114959.db2.gz TZNHTWLVBMIBGW-URXFXBBRSA-N 2 1 423.601 3.732 20 0 HHADMP COc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000539820837 1008114964 /nfs/dbraw/zinc/11/49/64/1008114964.db2.gz TZNHTWLVBMIBGW-URXFXBBRSA-N 2 1 423.601 3.732 20 0 HHADMP CCOc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1OCC(C)C ZINC000539825197 1008120153 /nfs/dbraw/zinc/12/01/53/1008120153.db2.gz NTAVMYWKJWRSPA-RBBKRZOGSA-N 2 1 403.611 3.578 20 0 HHADMP CCOc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1OCC(C)C ZINC000539825197 1008120158 /nfs/dbraw/zinc/12/01/58/1008120158.db2.gz NTAVMYWKJWRSPA-RBBKRZOGSA-N 2 1 403.611 3.578 20 0 HHADMP C[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539827967 1008121794 /nfs/dbraw/zinc/12/17/94/1008121794.db2.gz WCDIJFNXFJJNTQ-IBGZPJMESA-N 2 1 404.514 3.759 20 0 HHADMP C[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539827967 1008121797 /nfs/dbraw/zinc/12/17/97/1008121797.db2.gz WCDIJFNXFJJNTQ-IBGZPJMESA-N 2 1 404.514 3.759 20 0 HHADMP C[NH+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539827967 1008121803 /nfs/dbraw/zinc/12/18/03/1008121803.db2.gz WCDIJFNXFJJNTQ-IBGZPJMESA-N 2 1 404.514 3.759 20 0 HHADMP C[NH+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000539827967 1008121807 /nfs/dbraw/zinc/12/18/07/1008121807.db2.gz WCDIJFNXFJJNTQ-IBGZPJMESA-N 2 1 404.514 3.759 20 0 HHADMP COC(=O)CCn1nc(C)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1C ZINC000539832706 1008126143 /nfs/dbraw/zinc/12/61/43/1008126143.db2.gz ZOIZYIUFUGCTLV-VWLOTQADSA-N 2 1 424.589 3.551 20 0 HHADMP COC(=O)CCn1nc(C)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1C ZINC000539832706 1008126146 /nfs/dbraw/zinc/12/61/46/1008126146.db2.gz ZOIZYIUFUGCTLV-VWLOTQADSA-N 2 1 424.589 3.551 20 0 HHADMP COC(=O)CCn1nc(C)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1C ZINC000539832706 1008126149 /nfs/dbraw/zinc/12/61/49/1008126149.db2.gz ZOIZYIUFUGCTLV-VWLOTQADSA-N 2 1 424.589 3.551 20 0 HHADMP COC(=O)CCn1nc(C)c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1C ZINC000539832706 1008126152 /nfs/dbraw/zinc/12/61/52/1008126152.db2.gz ZOIZYIUFUGCTLV-VWLOTQADSA-N 2 1 424.589 3.551 20 0 HHADMP CC(C)Oc1ccc(C[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000539836090 1008128514 /nfs/dbraw/zinc/12/85/14/1008128514.db2.gz QXRKPGZZIMLCPK-UHFFFAOYSA-N 2 1 423.601 3.934 20 0 HHADMP C[NH+]1CCN(c2ncc(C[NH+]3CCC(c4ccccc4C(F)(F)F)CC3)cn2)CC1 ZINC000539851272 1008140450 /nfs/dbraw/zinc/14/04/50/1008140450.db2.gz XBTBVBSUYNCZPL-UHFFFAOYSA-N 2 1 419.495 3.627 20 0 HHADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccccc3OCc3ccccn3)CC2)CC1 ZINC000539861251 1008146388 /nfs/dbraw/zinc/14/63/88/1008146388.db2.gz GVOZVIXALOGKOO-UHFFFAOYSA-N 2 1 408.590 3.651 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc2ccccc2nc1N1CCCCC1 ZINC000539896959 1008170746 /nfs/dbraw/zinc/17/07/46/1008170746.db2.gz SPLAGRSNCMYMIC-NHTMILBNSA-N 2 1 408.590 3.909 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc2ccccc2nc1N1CCCCC1 ZINC000539896959 1008170750 /nfs/dbraw/zinc/17/07/50/1008170750.db2.gz SPLAGRSNCMYMIC-NHTMILBNSA-N 2 1 408.590 3.909 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000539951297 1008202140 /nfs/dbraw/zinc/20/21/40/1008202140.db2.gz RTSHVWGJFUSFOK-UHFFFAOYSA-N 2 1 400.998 3.833 20 0 HHADMP CC[NH+]1CCN(C(=O)Cc2ccc(N[C@H]3CC[N@@H+]([C@H](C)c4ccccc4)C3)cc2)CC1 ZINC000539957343 1008205435 /nfs/dbraw/zinc/20/54/35/1008205435.db2.gz YOJZLUFVSFQZQL-BWKNWUBXSA-N 2 1 420.601 3.641 20 0 HHADMP CC[NH+]1CCN(C(=O)Cc2ccc(N[C@H]3CC[N@H+]([C@H](C)c4ccccc4)C3)cc2)CC1 ZINC000539957343 1008205441 /nfs/dbraw/zinc/20/54/41/1008205441.db2.gz YOJZLUFVSFQZQL-BWKNWUBXSA-N 2 1 420.601 3.641 20 0 HHADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000539975613 1008216687 /nfs/dbraw/zinc/21/66/87/1008216687.db2.gz AAEIUUOWVFCRHT-BJKOFHAPSA-N 2 1 421.589 3.775 20 0 HHADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000539975615 1008216788 /nfs/dbraw/zinc/21/67/88/1008216788.db2.gz AAEIUUOWVFCRHT-RPWUZVMVSA-N 2 1 421.589 3.775 20 0 HHADMP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045419 1008254516 /nfs/dbraw/zinc/25/45/16/1008254516.db2.gz NNUFIFBMUKVVHQ-LJQANCHMSA-N 2 1 412.553 3.979 20 0 HHADMP COc1ccc([C@@H](CNC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000518459895 1008317050 /nfs/dbraw/zinc/31/70/50/1008317050.db2.gz JRHLZDNAEMGEPQ-DENIHFKCSA-N 2 1 416.610 3.642 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)[C@@H](C)C1 ZINC000540166349 1008318991 /nfs/dbraw/zinc/31/89/91/1008318991.db2.gz BSIAYKVNKGJMAY-QFBILLFUSA-N 2 1 406.958 3.659 20 0 HHADMP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000540172727 1008322271 /nfs/dbraw/zinc/32/22/71/1008322271.db2.gz UMHYAPWPOWZWIK-HRCADAONSA-N 2 1 401.364 3.998 20 0 HHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C[C@@H](C)O1 ZINC000540244871 1008350687 /nfs/dbraw/zinc/35/06/87/1008350687.db2.gz IUHKLTKIEKRFRG-IAGOWNOFSA-N 2 1 400.485 3.796 20 0 HHADMP CC(C)Oc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000540327937 1008381698 /nfs/dbraw/zinc/38/16/98/1008381698.db2.gz YNVFZUHEVAFWLJ-JTAQYXEDSA-N 2 1 409.574 3.904 20 0 HHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000518791644 1008421981 /nfs/dbraw/zinc/42/19/81/1008421981.db2.gz PGYLKRFNKGAUEC-HXUWFJFHSA-N 2 1 409.574 3.931 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000540466879 1008442589 /nfs/dbraw/zinc/44/25/89/1008442589.db2.gz NLRXYVKXAWHRGG-PNLZDCPESA-N 2 1 404.514 3.860 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cn(C)nc3-c3cccs3)CC2)C[C@H](C)O1 ZINC000540504661 1008458738 /nfs/dbraw/zinc/45/87/38/1008458738.db2.gz FOBFKBFFYHPYBM-HDICACEKSA-N 2 1 402.608 3.860 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000518926739 1008475376 /nfs/dbraw/zinc/47/53/76/1008475376.db2.gz NTPCOSGKNUQBTE-HSALFYBXSA-N 2 1 411.512 3.683 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000549036131 1008603956 /nfs/dbraw/zinc/60/39/56/1008603956.db2.gz OYKITXJBJCEVSV-DENIHFKCSA-N 2 1 401.595 3.503 20 0 HHADMP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC[N@@H+]1C ZINC000543178790 1008753059 /nfs/dbraw/zinc/75/30/59/1008753059.db2.gz JAKGJXFHJODDOS-IFXJQAMLSA-N 2 1 413.393 3.740 20 0 HHADMP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC[N@H+]1C ZINC000543178790 1008753069 /nfs/dbraw/zinc/75/30/69/1008753069.db2.gz JAKGJXFHJODDOS-IFXJQAMLSA-N 2 1 413.393 3.740 20 0 HHADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549208209 1008779382 /nfs/dbraw/zinc/77/93/82/1008779382.db2.gz VDUAKUNFWIINSY-SIKLNZKXSA-N 2 1 400.611 3.659 20 0 HHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000549209380 1008780955 /nfs/dbraw/zinc/78/09/55/1008780955.db2.gz MIEMJSTVYNLXSR-PKTZIBPZSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000543256512 1008825906 /nfs/dbraw/zinc/82/59/06/1008825906.db2.gz GZVFGLZANHZRDQ-SBHAEUEKSA-N 2 1 400.611 3.977 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549259167 1008829261 /nfs/dbraw/zinc/82/92/61/1008829261.db2.gz IPINBBONQWBYBD-LEWJYISDSA-N 2 1 407.961 3.994 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549259167 1008829270 /nfs/dbraw/zinc/82/92/70/1008829270.db2.gz IPINBBONQWBYBD-LEWJYISDSA-N 2 1 407.961 3.994 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549259168 1008829879 /nfs/dbraw/zinc/82/98/79/1008829879.db2.gz IPINBBONQWBYBD-NHCUHLMSSA-N 2 1 407.961 3.994 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549259168 1008829892 /nfs/dbraw/zinc/82/98/92/1008829892.db2.gz IPINBBONQWBYBD-NHCUHLMSSA-N 2 1 407.961 3.994 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1F ZINC000549276540 1008846794 /nfs/dbraw/zinc/84/67/94/1008846794.db2.gz KENJFLDETIEKCD-UHFFFAOYSA-N 2 1 413.541 3.774 20 0 HHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000519490462 1008862817 /nfs/dbraw/zinc/86/28/17/1008862817.db2.gz DSNCLPMGVBIEKW-UXHICEINSA-N 2 1 406.640 3.914 20 0 HHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000519490462 1008862830 /nfs/dbraw/zinc/86/28/30/1008862830.db2.gz DSNCLPMGVBIEKW-UXHICEINSA-N 2 1 406.640 3.914 20 0 HHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000519490462 1008862846 /nfs/dbraw/zinc/86/28/46/1008862846.db2.gz DSNCLPMGVBIEKW-UXHICEINSA-N 2 1 406.640 3.914 20 0 HHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)Cc2ccc(F)cc2Br)CC1 ZINC000519668001 1008952006 /nfs/dbraw/zinc/95/20/06/1008952006.db2.gz RAVPOEMYIUETAI-INIZCTEOSA-N 2 1 400.380 3.527 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cc(-n4ccnc4)cs3)CC2)CC1 ZINC000543395591 1008985988 /nfs/dbraw/zinc/98/59/88/1008985988.db2.gz KXASSSNRPZHKSL-UHFFFAOYSA-N 2 1 401.624 3.562 20 0 HHADMP Cc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(Br)c1 ZINC000543458852 1009042592 /nfs/dbraw/zinc/04/25/92/1009042592.db2.gz MPOPVEBMVASBSY-JKSUJKDBSA-N 2 1 408.384 3.939 20 0 HHADMP Cc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(Br)c1 ZINC000543458852 1009042605 /nfs/dbraw/zinc/04/26/05/1009042605.db2.gz MPOPVEBMVASBSY-JKSUJKDBSA-N 2 1 408.384 3.939 20 0 HHADMP Cc1cc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n(-c2ccc(F)cc2)n1 ZINC000543459963 1009045958 /nfs/dbraw/zinc/04/59/58/1009045958.db2.gz FGIMWJYILJTZHA-MSOLQXFVSA-N 2 1 413.541 3.501 20 0 HHADMP Cc1cc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n(-c2ccc(F)cc2)n1 ZINC000543459963 1009045968 /nfs/dbraw/zinc/04/59/68/1009045968.db2.gz FGIMWJYILJTZHA-MSOLQXFVSA-N 2 1 413.541 3.501 20 0 HHADMP CN(C)c1cc[nH+]cc1C[NH2+]CCSCCOc1cccc(Br)c1 ZINC000546049827 1009073960 /nfs/dbraw/zinc/07/39/60/1009073960.db2.gz KUMSEPCJUJKAAR-UHFFFAOYSA-N 2 1 410.381 3.812 20 0 HHADMP CN1CC[NH+](CC2(C)CC[NH+](CCOc3c(Cl)cccc3Cl)CC2)CC1 ZINC000543523046 1009115258 /nfs/dbraw/zinc/11/52/58/1009115258.db2.gz YDDBCYIKWFYWOQ-UHFFFAOYSA-N 2 1 400.394 3.722 20 0 HHADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000543643176 1009247074 /nfs/dbraw/zinc/24/70/74/1009247074.db2.gz ZAEJAZSNEHXYGI-WOJBJXKFSA-N 2 1 400.611 3.933 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)C1 ZINC000520129797 1009282650 /nfs/dbraw/zinc/28/26/50/1009282650.db2.gz TTYDHAVKXAGYAJ-KDURUIRLSA-N 2 1 424.580 3.796 20 0 HHADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000549688752 1009318641 /nfs/dbraw/zinc/31/86/41/1009318641.db2.gz UBFSFUGLDZDRSF-UFYCRDLUSA-N 2 1 407.624 3.528 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCCCOc2ccccc2F)cc1 ZINC000543813391 1009376766 /nfs/dbraw/zinc/37/67/66/1009376766.db2.gz NCTITXSHDRSTND-KRWDZBQOSA-N 2 1 410.493 3.556 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000520348264 1009484479 /nfs/dbraw/zinc/48/44/79/1009484479.db2.gz NKXHQYDWXKRVGE-IWUGNULFSA-N 2 1 418.585 3.605 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000520348264 1009484489 /nfs/dbraw/zinc/48/44/89/1009484489.db2.gz NKXHQYDWXKRVGE-IWUGNULFSA-N 2 1 418.585 3.605 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000520348264 1009484499 /nfs/dbraw/zinc/48/44/99/1009484499.db2.gz NKXHQYDWXKRVGE-IWUGNULFSA-N 2 1 418.585 3.605 20 0 HHADMP CC[NH+](CC)[C@H](C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1)c1ccccc1 ZINC000520372278 1009507925 /nfs/dbraw/zinc/50/79/25/1009507925.db2.gz IQOZTIVFEDTCQL-QHCPKHFHSA-N 2 1 412.578 3.703 20 0 HHADMP C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000549999371 1009598420 /nfs/dbraw/zinc/59/84/20/1009598420.db2.gz DFFOGOWEADRQSL-IVDSKFSHSA-N 2 1 407.533 3.551 20 0 HHADMP C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000549999371 1009598430 /nfs/dbraw/zinc/59/84/30/1009598430.db2.gz DFFOGOWEADRQSL-IVDSKFSHSA-N 2 1 407.533 3.551 20 0 HHADMP C[C@@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000549999371 1009598439 /nfs/dbraw/zinc/59/84/39/1009598439.db2.gz DFFOGOWEADRQSL-IVDSKFSHSA-N 2 1 407.533 3.551 20 0 HHADMP C[C@@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000549999371 1009598446 /nfs/dbraw/zinc/59/84/46/1009598446.db2.gz DFFOGOWEADRQSL-IVDSKFSHSA-N 2 1 407.533 3.551 20 0 HHADMP COC(=O)COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000544024227 1009623948 /nfs/dbraw/zinc/62/39/48/1009623948.db2.gz VYRLDAXQZIEWCW-VWLOTQADSA-N 2 1 408.542 3.727 20 0 HHADMP COC(=O)COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000544024227 1009623953 /nfs/dbraw/zinc/62/39/53/1009623953.db2.gz VYRLDAXQZIEWCW-VWLOTQADSA-N 2 1 408.542 3.727 20 0 HHADMP COC(=O)COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000544024227 1009623955 /nfs/dbraw/zinc/62/39/55/1009623955.db2.gz VYRLDAXQZIEWCW-VWLOTQADSA-N 2 1 408.542 3.727 20 0 HHADMP COC(=O)COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000544024227 1009623961 /nfs/dbraw/zinc/62/39/61/1009623961.db2.gz VYRLDAXQZIEWCW-VWLOTQADSA-N 2 1 408.542 3.727 20 0 HHADMP C[C@@H]1C[NH+](CCCCNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C[C@@H](C)O1 ZINC000544223459 1009833452 /nfs/dbraw/zinc/83/34/52/1009833452.db2.gz GOPVVFFTZCEBDE-FGZHOGPDSA-N 2 1 423.601 3.938 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccco1 ZINC000520993925 1010032993 /nfs/dbraw/zinc/03/29/93/1010032993.db2.gz DEFUJASJVDLRKI-FPOVZHCZSA-N 2 1 401.526 3.830 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544422033 1010043328 /nfs/dbraw/zinc/04/33/28/1010043328.db2.gz QFBYDDVGSZLVQQ-YLJYHZDGSA-N 2 1 409.578 3.670 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544422033 1010043343 /nfs/dbraw/zinc/04/33/43/1010043343.db2.gz QFBYDDVGSZLVQQ-YLJYHZDGSA-N 2 1 409.578 3.670 20 0 HHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000544424318 1010046758 /nfs/dbraw/zinc/04/67/58/1010046758.db2.gz JTXWEHMBPYRQRB-GBESFXJTSA-N 2 1 422.013 3.808 20 0 HHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000544424318 1010046775 /nfs/dbraw/zinc/04/67/75/1010046775.db2.gz JTXWEHMBPYRQRB-GBESFXJTSA-N 2 1 422.013 3.808 20 0 HHADMP CC(C)[N@H+]1CCCN(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000521031769 1010064352 /nfs/dbraw/zinc/06/43/52/1010064352.db2.gz TVZOVZJCMFQJMG-UHFFFAOYSA-N 2 1 414.638 3.847 20 0 HHADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000544488230 1010111851 /nfs/dbraw/zinc/11/18/51/1010111851.db2.gz AZABDBWGDJLCQL-NRFANRHFSA-N 2 1 414.638 3.795 20 0 HHADMP CN1CC[NH+](CC2(C)CC[NH+](CC(=O)Nc3ccccc3-c3ccccc3)CC2)CC1 ZINC000544488428 1010111938 /nfs/dbraw/zinc/11/19/38/1010111938.db2.gz VIWXHWYMLBKETC-UHFFFAOYSA-N 2 1 420.601 3.642 20 0 HHADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C[C@H](C)O1 ZINC000521186919 1010218504 /nfs/dbraw/zinc/21/85/04/1010218504.db2.gz JYWQAFSJPQRBBF-BGYRXZFFSA-N 2 1 416.610 3.724 20 0 HHADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C[C@H](C)O1 ZINC000521186919 1010218507 /nfs/dbraw/zinc/21/85/07/1010218507.db2.gz JYWQAFSJPQRBBF-BGYRXZFFSA-N 2 1 416.610 3.724 20 0 HHADMP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](c2ccc(Br)o2)c2ccc(F)cc2)CC1 ZINC000551007129 1010313437 /nfs/dbraw/zinc/31/34/37/1010313437.db2.gz LPJCNKPOBMUILX-QRWLVFNGSA-N 2 1 424.358 3.886 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547505269 1010331276 /nfs/dbraw/zinc/33/12/76/1010331276.db2.gz LNMLWCNHTLXHQR-CTVDGRRTSA-N 2 1 408.590 3.695 20 0 HHADMP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H](C)[NH+]2CCc3sccc3C2)CC1 ZINC000521467819 1010389516 /nfs/dbraw/zinc/38/95/16/1010389516.db2.gz CVATUPDHLKFSGC-GOSISDBHSA-N 2 1 406.640 3.648 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H](C)[NH+]2CCc3sccc3C2)CC1 ZINC000521467819 1010389528 /nfs/dbraw/zinc/38/95/28/1010389528.db2.gz CVATUPDHLKFSGC-GOSISDBHSA-N 2 1 406.640 3.648 20 0 HHADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)CC1 ZINC000521467819 1010389537 /nfs/dbraw/zinc/38/95/37/1010389537.db2.gz CVATUPDHLKFSGC-GOSISDBHSA-N 2 1 406.640 3.648 20 0 HHADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)CC1 ZINC000521467819 1010389547 /nfs/dbraw/zinc/38/95/47/1010389547.db2.gz CVATUPDHLKFSGC-GOSISDBHSA-N 2 1 406.640 3.648 20 0 HHADMP C[C@@H](NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(OCC(F)(F)F)cc1 ZINC000551275075 1010489053 /nfs/dbraw/zinc/48/90/53/1010489053.db2.gz OSIPLWFWAXHTMW-OXQOHEQNSA-N 2 1 408.464 3.698 20 0 HHADMP C[C@@H](NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(OCC(F)(F)F)cc1 ZINC000551275075 1010489057 /nfs/dbraw/zinc/48/90/57/1010489057.db2.gz OSIPLWFWAXHTMW-OXQOHEQNSA-N 2 1 408.464 3.698 20 0 HHADMP c1ccc(-c2noc(-c3cccc(C[NH+]4CCCC4)c3)n2)c(C[NH+]2CCOCC2)c1 ZINC000544994506 1010541757 /nfs/dbraw/zinc/54/17/57/1010541757.db2.gz DUQPAASMCQLCFA-UHFFFAOYSA-N 2 1 404.514 3.832 20 0 HHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000521700171 1010560186 /nfs/dbraw/zinc/56/01/86/1010560186.db2.gz VFTNPZNJJUZMCC-KDURUIRLSA-N 2 1 404.624 3.662 20 0 HHADMP CC[N@H+](Cc1ccc(-c2nc(-c3ccc(N4CC[NH+](C)CC4)nc3)no2)cc1)C(C)C ZINC000545023296 1010564134 /nfs/dbraw/zinc/56/41/34/1010564134.db2.gz SOQMCYQUYCBMOB-UHFFFAOYSA-N 2 1 420.561 3.781 20 0 HHADMP CC[N@@H+](Cc1ccc(-c2nc(-c3ccc(N4CC[NH+](C)CC4)nc3)no2)cc1)C(C)C ZINC000545023296 1010564144 /nfs/dbraw/zinc/56/41/44/1010564144.db2.gz SOQMCYQUYCBMOB-UHFFFAOYSA-N 2 1 420.561 3.781 20 0 HHADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4Br)sc32)C1 ZINC000545161528 1010659010 /nfs/dbraw/zinc/65/90/10/1010659010.db2.gz YZVYMFVHOYIQFZ-DNVCBOLYSA-N 2 1 422.392 3.606 20 0 HHADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4Br)sc32)C1 ZINC000545161528 1010659014 /nfs/dbraw/zinc/65/90/14/1010659014.db2.gz YZVYMFVHOYIQFZ-DNVCBOLYSA-N 2 1 422.392 3.606 20 0 HHADMP O=C(NC1CCCCC1)N1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000545197866 1010680484 /nfs/dbraw/zinc/68/04/84/1010680484.db2.gz MEIJGFHPSZXKOB-UHFFFAOYSA-N 2 1 412.622 3.790 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000545247152 1010701786 /nfs/dbraw/zinc/70/17/86/1010701786.db2.gz JAHQRTACOOXFLU-IRXDYDNUSA-N 2 1 402.498 3.906 20 0 HHADMP C[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000551703252 1010749764 /nfs/dbraw/zinc/74/97/64/1010749764.db2.gz VNNOYZNKNFGURY-HDYLNDSGSA-N 2 1 407.602 3.778 20 0 HHADMP C[C@H](NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000551703252 1010749771 /nfs/dbraw/zinc/74/97/71/1010749771.db2.gz VNNOYZNKNFGURY-HDYLNDSGSA-N 2 1 407.602 3.778 20 0 HHADMP C[C@H](NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000551703252 1010749775 /nfs/dbraw/zinc/74/97/75/1010749775.db2.gz VNNOYZNKNFGURY-HDYLNDSGSA-N 2 1 407.602 3.778 20 0 HHADMP C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000551703252 1010749785 /nfs/dbraw/zinc/74/97/85/1010749785.db2.gz VNNOYZNKNFGURY-HDYLNDSGSA-N 2 1 407.602 3.778 20 0 HHADMP C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000551703252 1010749791 /nfs/dbraw/zinc/74/97/91/1010749791.db2.gz VNNOYZNKNFGURY-HDYLNDSGSA-N 2 1 407.602 3.778 20 0 HHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000548903664 1010755977 /nfs/dbraw/zinc/75/59/77/1010755977.db2.gz PKBXSDVWMFPNAK-HYBUGGRVSA-N 2 1 409.574 3.548 20 0 HHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000548903664 1010755984 /nfs/dbraw/zinc/75/59/84/1010755984.db2.gz PKBXSDVWMFPNAK-HYBUGGRVSA-N 2 1 409.574 3.548 20 0 HHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000522318093 1010926761 /nfs/dbraw/zinc/92/67/61/1010926761.db2.gz QKSNQQOVWPRRJW-QPPBQGQZSA-N 2 1 408.590 3.904 20 0 HHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000522318094 1010926778 /nfs/dbraw/zinc/92/67/78/1010926778.db2.gz QKSNQQOVWPRRJW-URXFXBBRSA-N 2 1 408.590 3.904 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1F ZINC000522429565 1011004223 /nfs/dbraw/zinc/00/42/23/1011004223.db2.gz YGWJSBRKYUBIJG-CALCHBBNSA-N 2 1 415.557 3.876 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1F ZINC000522429565 1011004233 /nfs/dbraw/zinc/00/42/33/1011004233.db2.gz YGWJSBRKYUBIJG-CALCHBBNSA-N 2 1 415.557 3.876 20 0 HHADMP CN(C)c1ncc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000522756569 1011197529 /nfs/dbraw/zinc/19/75/29/1011197529.db2.gz ZZSGOUXQAMEZPP-PKOBYXMFSA-N 2 1 407.484 3.734 20 0 HHADMP CN(C)c1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000522756569 1011197536 /nfs/dbraw/zinc/19/75/36/1011197536.db2.gz ZZSGOUXQAMEZPP-PKOBYXMFSA-N 2 1 407.484 3.734 20 0 HHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)cc1 ZINC000522830469 1011266122 /nfs/dbraw/zinc/26/61/22/1011266122.db2.gz WPUAUFSFDLGKCP-BWKNWUBXSA-N 2 1 420.601 3.984 20 0 HHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000522830469 1011266136 /nfs/dbraw/zinc/26/61/36/1011266136.db2.gz WPUAUFSFDLGKCP-BWKNWUBXSA-N 2 1 420.601 3.984 20 0 HHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000522830469 1011266150 /nfs/dbraw/zinc/26/61/50/1011266150.db2.gz WPUAUFSFDLGKCP-BWKNWUBXSA-N 2 1 420.601 3.984 20 0 HHADMP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000522868463 1011310278 /nfs/dbraw/zinc/31/02/78/1011310278.db2.gz SXJWPFAAXUVVPF-VWLOTQADSA-N 2 1 420.601 3.986 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000536229153 1011378830 /nfs/dbraw/zinc/37/88/30/1011378830.db2.gz ZSEMYSUJCHVDMC-PDIWNELESA-N 2 1 403.530 3.986 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000536229153 1011378842 /nfs/dbraw/zinc/37/88/42/1011378842.db2.gz ZSEMYSUJCHVDMC-PDIWNELESA-N 2 1 403.530 3.986 20 0 HHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000536304300 1011495710 /nfs/dbraw/zinc/49/57/10/1011495710.db2.gz ZSHCRYGVCXAUDB-GOSISDBHSA-N 2 1 400.792 3.707 20 0 HHADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c3ccccc3)c2C1 ZINC000523043401 1011511277 /nfs/dbraw/zinc/51/12/77/1011511277.db2.gz YKQFAOMHJPYLAZ-GOSISDBHSA-N 2 1 422.573 3.596 20 0 HHADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c3ccccc3)c2C1 ZINC000523043401 1011511290 /nfs/dbraw/zinc/51/12/90/1011511290.db2.gz YKQFAOMHJPYLAZ-GOSISDBHSA-N 2 1 422.573 3.596 20 0 HHADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000540862649 1011533398 /nfs/dbraw/zinc/53/33/98/1011533398.db2.gz GIIGYMFYDZMULX-DQLDELGASA-N 2 1 424.992 3.986 20 0 HHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000540862649 1011533413 /nfs/dbraw/zinc/53/34/13/1011533413.db2.gz GIIGYMFYDZMULX-DQLDELGASA-N 2 1 424.992 3.986 20 0 HHADMP CC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000540862649 1011533422 /nfs/dbraw/zinc/53/34/22/1011533422.db2.gz GIIGYMFYDZMULX-DQLDELGASA-N 2 1 424.992 3.986 20 0 HHADMP CC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000540862649 1011533435 /nfs/dbraw/zinc/53/34/35/1011533435.db2.gz GIIGYMFYDZMULX-DQLDELGASA-N 2 1 424.992 3.986 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000536356272 1011564032 /nfs/dbraw/zinc/56/40/32/1011564032.db2.gz QBOJHILILPQPBC-NHCUHLMSSA-N 2 1 407.002 3.849 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000536356272 1011564046 /nfs/dbraw/zinc/56/40/46/1011564046.db2.gz QBOJHILILPQPBC-NHCUHLMSSA-N 2 1 407.002 3.849 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000536356281 1011564192 /nfs/dbraw/zinc/56/41/92/1011564192.db2.gz QBOJHILILPQPBC-SFTDATJTSA-N 2 1 407.002 3.849 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000536356281 1011564208 /nfs/dbraw/zinc/56/42/08/1011564208.db2.gz QBOJHILILPQPBC-SFTDATJTSA-N 2 1 407.002 3.849 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000536370079 1011578960 /nfs/dbraw/zinc/57/89/60/1011578960.db2.gz JASLUCYSHYGTRQ-IRLDBZIGSA-N 2 1 412.965 3.821 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000536370079 1011578975 /nfs/dbraw/zinc/57/89/75/1011578975.db2.gz JASLUCYSHYGTRQ-IRLDBZIGSA-N 2 1 412.965 3.821 20 0 HHADMP CN(CCC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1cc[nH+]cc1 ZINC000540926026 1011589911 /nfs/dbraw/zinc/58/99/11/1011589911.db2.gz YNATTWQDLNYNCN-UHFFFAOYSA-N 2 1 421.372 3.996 20 0 HHADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000536427296 1011646492 /nfs/dbraw/zinc/64/64/92/1011646492.db2.gz GRQRCVABOUGLQN-XMMPIXPASA-N 2 1 406.574 3.811 20 0 HHADMP CC(C)[N@@H+](Cc1ccc(NC(=O)N[C@H](C)CC[NH+](C)C)cc1)C[C@@H]1CCCCO1 ZINC000541031928 1011665956 /nfs/dbraw/zinc/66/59/56/1011665956.db2.gz JORBYQKNSJTHHP-KNQAVFIVSA-N 2 1 404.599 3.928 20 0 HHADMP CC[NH+](CC)CCOc1cc(NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)ccc1OC ZINC000523341728 1011820288 /nfs/dbraw/zinc/82/02/88/1011820288.db2.gz KEJRLXJHJGYQKY-UHFFFAOYSA-N 2 1 420.598 3.754 20 0 HHADMP CC(C)c1ncc(C[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000536679529 1011841162 /nfs/dbraw/zinc/84/11/62/1011841162.db2.gz FECSWFHEMZQSJN-UHFFFAOYSA-N 2 1 414.619 3.727 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2ccc3ncccc3c2)CC1)Cc1ccccc1 ZINC000536679268 1011842356 /nfs/dbraw/zinc/84/23/56/1011842356.db2.gz YQDXGNAVIDSFBZ-UHFFFAOYSA-N 2 1 416.569 3.695 20 0 HHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)C2)CC1 ZINC000536709865 1011882391 /nfs/dbraw/zinc/88/23/91/1011882391.db2.gz MIBAOEHNNRSBCN-IBGZPJMESA-N 2 1 410.389 3.870 20 0 HHADMP C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536724940 1011895812 /nfs/dbraw/zinc/89/58/12/1011895812.db2.gz XIJVAYLLIATETK-WMZHIEFXSA-N 2 1 422.573 3.648 20 0 HHADMP COc1ccc2c(c1)CCCN2C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536724751 1011895904 /nfs/dbraw/zinc/89/59/04/1011895904.db2.gz RRNDHLLWKOBCBT-UHFFFAOYSA-N 2 1 422.573 3.608 20 0 HHADMP Cc1ccc(NC(=O)NC(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000536730160 1011903293 /nfs/dbraw/zinc/90/32/93/1011903293.db2.gz XMXXODKRMXZKRN-UHFFFAOYSA-N 2 1 423.561 3.585 20 0 HHADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000541231783 1011907802 /nfs/dbraw/zinc/90/78/02/1011907802.db2.gz VKAAYQGZPKTYEG-INIZCTEOSA-N 2 1 415.500 3.902 20 0 HHADMP O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536764374 1011963945 /nfs/dbraw/zinc/96/39/45/1011963945.db2.gz XRFGNJOGEIGZCN-HSZRJFAPSA-N 2 1 413.610 3.642 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)NCC[NH+](C)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000523472954 1011982498 /nfs/dbraw/zinc/98/24/98/1011982498.db2.gz HWCHDBTWTKYHHI-QPPBQGQZSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)NCC[N@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000523472954 1011982506 /nfs/dbraw/zinc/98/25/06/1011982506.db2.gz HWCHDBTWTKYHHI-QPPBQGQZSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)NCC[N@@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000523472954 1011982525 /nfs/dbraw/zinc/98/25/25/1011982525.db2.gz HWCHDBTWTKYHHI-QPPBQGQZSA-N 2 1 408.590 3.813 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(c3ccc4c(c3)OCCO4)CCCC2)[C@H](C)C1 ZINC000536806277 1012029373 /nfs/dbraw/zinc/02/93/73/1012029373.db2.gz KYNDYVPLQXVCKL-IRLDBZIGSA-N 2 1 416.606 3.996 20 0 HHADMP CNC(=O)COc1cccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000552032936 1012057660 /nfs/dbraw/zinc/05/76/60/1012057660.db2.gz CYAKTGTVYDLBDL-ZKMPZPQNSA-N 2 1 421.585 3.592 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000536835152 1012065850 /nfs/dbraw/zinc/06/58/50/1012065850.db2.gz VZPWTNMSGRUYRR-SFTDATJTSA-N 2 1 421.651 3.880 20 0 HHADMP Cn1nccc1N1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000552054892 1012073178 /nfs/dbraw/zinc/07/31/78/1012073178.db2.gz RXNIIWXYTMTWHC-CJRSTVEYSA-N 2 1 407.606 3.669 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1 ZINC000523616080 1012188834 /nfs/dbraw/zinc/18/88/34/1012188834.db2.gz OKQKYBIYHPQMEU-IFMALSPDSA-N 2 1 415.626 3.588 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000523616080 1012188846 /nfs/dbraw/zinc/18/88/46/1012188846.db2.gz OKQKYBIYHPQMEU-IFMALSPDSA-N 2 1 415.626 3.588 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000523616080 1012188856 /nfs/dbraw/zinc/18/88/56/1012188856.db2.gz OKQKYBIYHPQMEU-IFMALSPDSA-N 2 1 415.626 3.588 20 0 HHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3cc(Cl)cc4cccnc43)CC2)C[C@@H](C)O1 ZINC000536933594 1012223651 /nfs/dbraw/zinc/22/36/51/1012223651.db2.gz FNPXNMKRIUNDJU-QZTJIDSGSA-N 2 1 417.981 3.978 20 0 HHADMP CC[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000541480116 1012251310 /nfs/dbraw/zinc/25/13/10/1012251310.db2.gz IJEJGSPMDMMURN-IBGZPJMESA-N 2 1 413.393 3.741 20 0 HHADMP CC[N@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000541480116 1012251325 /nfs/dbraw/zinc/25/13/25/1012251325.db2.gz IJEJGSPMDMMURN-IBGZPJMESA-N 2 1 413.393 3.741 20 0 HHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000536962971 1012255314 /nfs/dbraw/zinc/25/53/14/1012255314.db2.gz LSVHUKYGOCRKRG-MSOLQXFVSA-N 2 1 401.576 3.559 20 0 HHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000541516719 1012298281 /nfs/dbraw/zinc/29/82/81/1012298281.db2.gz WWMDOYHPPPGCJJ-VIZSFHNOSA-N 2 1 410.606 3.969 20 0 HHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000541516719 1012298297 /nfs/dbraw/zinc/29/82/97/1012298297.db2.gz WWMDOYHPPPGCJJ-VIZSFHNOSA-N 2 1 410.606 3.969 20 0 HHADMP COCC[NH+]1CCC([NH2+]C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000541571924 1012360062 /nfs/dbraw/zinc/36/00/62/1012360062.db2.gz WYFBJJUQBCLOOX-UHFFFAOYSA-N 2 1 400.394 3.658 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1 ZINC000523749451 1012372942 /nfs/dbraw/zinc/37/29/42/1012372942.db2.gz QEKUWCOMQUFSED-NZQKXSOJSA-N 2 1 424.589 3.710 20 0 HHADMP C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599470 1012392362 /nfs/dbraw/zinc/39/23/62/1012392362.db2.gz FVAOWGDOJIQWDY-RLFYNMQTSA-N 2 1 401.378 3.976 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)[C@@H](C)C1 ZINC000523773256 1012412840 /nfs/dbraw/zinc/41/28/40/1012412840.db2.gz NPYGWZKCDMOPLP-FCHUYYIVSA-N 2 1 422.658 3.611 20 0 HHADMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)c1nccn1C ZINC000537105085 1012472581 /nfs/dbraw/zinc/47/25/81/1012472581.db2.gz LUHUINARLUSDFW-DEOSSOPVSA-N 2 1 403.574 3.983 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)c1ccsc1 ZINC000523813192 1012490342 /nfs/dbraw/zinc/49/03/42/1012490342.db2.gz KEQPOHQZEPTRNW-QFIPXVFZSA-N 2 1 414.619 3.701 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000537132983 1012518925 /nfs/dbraw/zinc/51/89/25/1012518925.db2.gz YKTKSNYLVJRUHI-RQTOMXEWSA-N 2 1 421.585 3.649 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000523866579 1012563188 /nfs/dbraw/zinc/56/31/88/1012563188.db2.gz QXAFRYIQENXDFH-OAQYLSRUSA-N 2 1 420.601 3.960 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC000523904466 1012617573 /nfs/dbraw/zinc/61/75/73/1012617573.db2.gz VSQLBDAVTQBDLF-XZOTUCIWSA-N 2 1 406.574 3.957 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000523904466 1012617582 /nfs/dbraw/zinc/61/75/82/1012617582.db2.gz VSQLBDAVTQBDLF-XZOTUCIWSA-N 2 1 406.574 3.957 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000523904466 1012617591 /nfs/dbraw/zinc/61/75/91/1012617591.db2.gz VSQLBDAVTQBDLF-XZOTUCIWSA-N 2 1 406.574 3.957 20 0 HHADMP C[NH+]1CCC[C@@H](CNC(=O)NCC2=CC[N@@H+](C)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000537271828 1012725637 /nfs/dbraw/zinc/72/56/37/1012725637.db2.gz CACOCYSTFFGXSX-AZUAARDMSA-N 2 1 424.511 3.649 20 0 HHADMP C[NH+]1CC=C(CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000537271828 1012725654 /nfs/dbraw/zinc/72/56/54/1012725654.db2.gz CACOCYSTFFGXSX-AZUAARDMSA-N 2 1 424.511 3.649 20 0 HHADMP C[NH+]1CC=C(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000537271828 1012725664 /nfs/dbraw/zinc/72/56/64/1012725664.db2.gz CACOCYSTFFGXSX-AZUAARDMSA-N 2 1 424.511 3.649 20 0 HHADMP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)ccc1OC(F)F ZINC000541919149 1012777817 /nfs/dbraw/zinc/77/78/17/1012777817.db2.gz UKXIEJQYSJCWLI-BEFAXECRSA-N 2 1 406.473 3.714 20 0 HHADMP COc1cc(OC)c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1Cl ZINC000541918682 1012778043 /nfs/dbraw/zinc/77/80/43/1012778043.db2.gz JKABYYWDWKXXQO-MAUKXSAKSA-N 2 1 404.938 3.775 20 0 HHADMP CC[C@H](C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000552780867 1012785013 /nfs/dbraw/zinc/78/50/13/1012785013.db2.gz UPPGTZIXMZNNNV-XMMPIXPASA-N 2 1 409.574 3.686 20 0 HHADMP CC[NH+]1CCN(Cc2ccc(N[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cc2)CC1 ZINC000537397188 1012880941 /nfs/dbraw/zinc/88/09/41/1012880941.db2.gz RMMJHWSQNKLQDJ-PXDATVDWSA-N 2 1 407.606 3.542 20 0 HHADMP CCN1CC[NH+](Cc2ccc(N[C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)cc2)CC1 ZINC000537397188 1012880957 /nfs/dbraw/zinc/88/09/57/1012880957.db2.gz RMMJHWSQNKLQDJ-PXDATVDWSA-N 2 1 407.606 3.542 20 0 HHADMP CCN1CC[NH+](Cc2ccc(N[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cc2)CC1 ZINC000537397188 1012880975 /nfs/dbraw/zinc/88/09/75/1012880975.db2.gz RMMJHWSQNKLQDJ-PXDATVDWSA-N 2 1 407.606 3.542 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)CC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537468594 1012972654 /nfs/dbraw/zinc/97/26/54/1012972654.db2.gz ZNWSBSBIIVEYJI-LEWJYISDSA-N 2 1 424.992 3.986 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N(C)CC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537468594 1012972664 /nfs/dbraw/zinc/97/26/64/1012972664.db2.gz ZNWSBSBIIVEYJI-LEWJYISDSA-N 2 1 424.992 3.986 20 0 HHADMP Cc1noc([C@@H]2CCC[NH+](CCCCCC[N@@H+]3CCC[C@@H](c4nc(C)no4)C3)C2)n1 ZINC000729815152 1072130011 /nfs/dbraw/zinc/13/00/11/1072130011.db2.gz PUSMSEOUCHWNQR-WOJBJXKFSA-N 2 1 416.570 3.689 20 0 HHADMP CCCN(C(=S)NCC1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000760479612 1072387806 /nfs/dbraw/zinc/38/78/06/1072387806.db2.gz ZOVMSBFFRANOSC-QFIPXVFZSA-N 2 1 402.652 3.579 20 0 HHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000586857862 1072480727 /nfs/dbraw/zinc/48/07/27/1072480727.db2.gz GERAKGFCKMTQTH-QHAWAJNXSA-N 2 1 400.611 3.564 20 0 HHADMP CN1CCC([N@@H+](C2CCC([NH+](C)C)CC2)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001168330647 1072509794 /nfs/dbraw/zinc/50/97/94/1072509794.db2.gz VDKUTAAHKJTPQV-UHFFFAOYSA-N 2 1 422.658 3.655 20 0 HHADMP CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](C3CC[NH+](CC4CC4)CC3)C[C@@]2(C(F)(F)F)C1 ZINC001168377606 1072513314 /nfs/dbraw/zinc/51/33/14/1072513314.db2.gz FBVPTOKMHKWTTO-OXQOHEQNSA-N 2 1 417.516 3.592 20 0 HHADMP Cc1cccc(COC[C@@]23CCCO[C@H]2CC[N@H+](C2CC[NH+](CC4CC4)CC2)C3)n1 ZINC001168380462 1072707676 /nfs/dbraw/zinc/70/76/76/1072707676.db2.gz SWBAGZPKPCDILD-DQEYMECFSA-N 2 1 413.606 3.652 20 0 HHADMP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@H](c3ncc[nH]3)c3cccnc3)cc2)C[C@H]1C ZINC000479404299 1072825624 /nfs/dbraw/zinc/82/56/24/1072825624.db2.gz CLKQRRKDRUBHBK-REHUZNOOSA-N 2 1 419.573 3.693 20 0 HHADMP CCOC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001142594906 1072889614 /nfs/dbraw/zinc/88/96/14/1072889614.db2.gz DOJPFLMZKRCLCN-QTJGBDASSA-N 2 1 407.558 3.991 20 0 HHADMP CCOC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001142594906 1072889631 /nfs/dbraw/zinc/88/96/31/1072889631.db2.gz DOJPFLMZKRCLCN-QTJGBDASSA-N 2 1 407.558 3.991 20 0 HHADMP CCOC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001142594906 1072889641 /nfs/dbraw/zinc/88/96/41/1072889641.db2.gz DOJPFLMZKRCLCN-QTJGBDASSA-N 2 1 407.558 3.991 20 0 HHADMP CCOC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001142594906 1072889657 /nfs/dbraw/zinc/88/96/57/1072889657.db2.gz DOJPFLMZKRCLCN-QTJGBDASSA-N 2 1 407.558 3.991 20 0 HHADMP CC(C)Sc1cccc(Cl)c1CN1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000554875743 1072918835 /nfs/dbraw/zinc/91/88/35/1072918835.db2.gz PNQLSBRZXMVPPB-UHFFFAOYSA-N 2 1 410.027 3.827 20 0 HHADMP C[NH+](C)CCN(CC1CCCCC1)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000554919978 1072952794 /nfs/dbraw/zinc/95/27/94/1072952794.db2.gz QWJWXAOXNKDBSR-XMMPIXPASA-N 2 1 414.638 3.705 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1)C(C)C ZINC000588656450 1073104969 /nfs/dbraw/zinc/10/49/69/1073104969.db2.gz NZEMIPKYWGNINM-SFTDATJTSA-N 2 1 415.622 3.878 20 0 HHADMP CC(C)C[C@@H](NC(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000588711243 1073156638 /nfs/dbraw/zinc/15/66/38/1073156638.db2.gz XLLOTKHHBWEZJJ-ZFGGDYGUSA-N 2 1 415.622 3.711 20 0 HHADMP CC(C)C[C@@H](NC(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000588711243 1073156642 /nfs/dbraw/zinc/15/66/42/1073156642.db2.gz XLLOTKHHBWEZJJ-ZFGGDYGUSA-N 2 1 415.622 3.711 20 0 HHADMP C[C@H](NC(=O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1cccc2ccccc21 ZINC000588710634 1073157039 /nfs/dbraw/zinc/15/70/39/1073157039.db2.gz UBWLAZOQHCMGCQ-NJYVYQBISA-N 2 1 423.601 3.838 20 0 HHADMP CC[C@@H](NC(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(Cl)cc1 ZINC000588711936 1073157624 /nfs/dbraw/zinc/15/76/24/1073157624.db2.gz VEYWEZNKEQZGSO-KGVIQGDOSA-N 2 1 422.013 3.729 20 0 HHADMP CC[C@@H](NC(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(Cl)cc1 ZINC000588711936 1073157627 /nfs/dbraw/zinc/15/76/27/1073157627.db2.gz VEYWEZNKEQZGSO-KGVIQGDOSA-N 2 1 422.013 3.729 20 0 HHADMP c1cc(OCCN2CCOCC2)ccc1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC001649004495 1073162512 /nfs/dbraw/zinc/16/25/12/1073162512.db2.gz GYPPHPQNKSQHIJ-UHFFFAOYSA-N 2 1 415.622 3.532 20 0 HHADMP COCCN1CCC([NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000555225011 1073263850 /nfs/dbraw/zinc/26/38/50/1073263850.db2.gz FZQVDGMYJXBSNF-HMHBSYAJSA-N 2 1 406.014 3.954 20 0 HHADMP COCC[NH+]1CCC([NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000555225011 1073263866 /nfs/dbraw/zinc/26/38/66/1073263866.db2.gz FZQVDGMYJXBSNF-HMHBSYAJSA-N 3 1 406.014 3.954 20 0 HHADMP COCC[NH+]1CCC([NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000555225011 1073263869 /nfs/dbraw/zinc/26/38/69/1073263869.db2.gz FZQVDGMYJXBSNF-HMHBSYAJSA-N 3 1 406.014 3.954 20 0 HHADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC2)C[C@H](C)O1 ZINC000555309834 1073335168 /nfs/dbraw/zinc/33/51/68/1073335168.db2.gz CNLQOCBEXGDTHV-OYRHEFFESA-N 2 1 413.606 3.634 20 0 HHADMP COc1ccc2c(c1)CCCN2C(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000589999435 1073440425 /nfs/dbraw/zinc/44/04/25/1073440425.db2.gz IDRQWIKRWOIOLB-UHFFFAOYSA-N 2 1 421.585 3.818 20 0 HHADMP CC(C)[N@H+]1CCCN(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000590157333 1073598982 /nfs/dbraw/zinc/59/89/82/1073598982.db2.gz LQMHOOURKBBGCX-NHCUHLMSSA-N 2 1 400.611 3.790 20 0 HHADMP CC[C@@H](C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[N@H+](C)Cc1ccccc1 ZINC000555545898 1073616885 /nfs/dbraw/zinc/61/68/85/1073616885.db2.gz HXIBMYZZNOLETE-QHCPKHFHSA-N 2 1 415.528 3.956 20 0 HHADMP CC[C@@H](C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000555545898 1073616893 /nfs/dbraw/zinc/61/68/93/1073616893.db2.gz HXIBMYZZNOLETE-QHCPKHFHSA-N 2 1 415.528 3.956 20 0 HHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000555597332 1073662249 /nfs/dbraw/zinc/66/22/49/1073662249.db2.gz FHNSVRDOGMZNPS-ARMFNRFLSA-N 2 1 408.586 3.880 20 0 HHADMP Cc1ccccc1[C@H](OC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000555597332 1073662257 /nfs/dbraw/zinc/66/22/57/1073662257.db2.gz FHNSVRDOGMZNPS-ARMFNRFLSA-N 2 1 408.586 3.880 20 0 HHADMP Cc1ccccc1[C@H](OC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000555597332 1073662263 /nfs/dbraw/zinc/66/22/63/1073662263.db2.gz FHNSVRDOGMZNPS-ARMFNRFLSA-N 2 1 408.586 3.880 20 0 HHADMP O=c1[nH]c2ccccc2cc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000555612595 1073675438 /nfs/dbraw/zinc/67/54/38/1073675438.db2.gz VJRZRSLGIKRDBR-HSZRJFAPSA-N 2 1 417.553 3.959 20 0 HHADMP Cn1cnc2cc(C[NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CC34CCOCC4)ccc21 ZINC000555617829 1073684235 /nfs/dbraw/zinc/68/42/35/1073684235.db2.gz WXTXMKCJTHDOPO-JOCHJYFZSA-N 2 1 404.558 3.592 20 0 HHADMP C[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(-n2cccn2)c(F)c1 ZINC000555620832 1073686629 /nfs/dbraw/zinc/68/66/29/1073686629.db2.gz PRTLBNBVKTWPPS-UGKGYDQZSA-N 2 1 408.521 3.953 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)CC2)cs1 ZINC000591078571 1074100142 /nfs/dbraw/zinc/10/01/42/1074100142.db2.gz PUIDCIMIDXOJIU-HXUWFJFHSA-N 2 1 418.651 3.634 20 0 HHADMP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000573965611 1074744956 /nfs/dbraw/zinc/74/49/56/1074744956.db2.gz XVTYSLGHMIJOCG-ZLKNRPIFSA-N 2 1 402.485 3.918 20 0 HHADMP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000573965611 1074744964 /nfs/dbraw/zinc/74/49/64/1074744964.db2.gz XVTYSLGHMIJOCG-ZLKNRPIFSA-N 2 1 402.485 3.918 20 0 HHADMP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000592475300 1074763826 /nfs/dbraw/zinc/76/38/26/1074763826.db2.gz QQWHVDCIWPSEIO-UWJYYQICSA-N 2 1 404.986 3.793 20 0 HHADMP C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000593041863 1075156693 /nfs/dbraw/zinc/15/66/93/1075156693.db2.gz KIOIGUPGNZDBRV-AWEZNQCLSA-N 2 1 407.345 3.958 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000593498359 1075204168 /nfs/dbraw/zinc/20/41/68/1075204168.db2.gz ISAAHAAUWPBPMQ-KDURUIRLSA-N 2 1 404.599 3.895 20 0 HHADMP C[C@H](CNC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000593499404 1075204437 /nfs/dbraw/zinc/20/44/37/1075204437.db2.gz WLYKNQFFOUSZEW-LJQANCHMSA-N 2 1 410.562 3.585 20 0 HHADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000574314995 1075218935 /nfs/dbraw/zinc/21/89/35/1075218935.db2.gz QKAYBZYFQQFKAR-IYWMVGAKSA-N 2 1 402.583 3.568 20 0 HHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000574314995 1075218942 /nfs/dbraw/zinc/21/89/42/1075218942.db2.gz QKAYBZYFQQFKAR-IYWMVGAKSA-N 2 1 402.583 3.568 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000595438449 1075457565 /nfs/dbraw/zinc/45/75/65/1075457565.db2.gz NBGXEPFIYCYUSA-SFHVURJKSA-N 2 1 405.502 3.773 20 0 HHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000597072294 1075615271 /nfs/dbraw/zinc/61/52/71/1075615271.db2.gz PUQQEQIADBERNP-UHFFFAOYSA-N 2 1 421.383 3.975 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000597072294 1075615272 /nfs/dbraw/zinc/61/52/72/1075615272.db2.gz PUQQEQIADBERNP-UHFFFAOYSA-N 2 1 421.383 3.975 20 0 HHADMP FC(F)(F)[C@H]1N(c2nc(Cl)ccc2C[NH+]2CCCC2)CCC12CC[NH2+]CC2 ZINC001164389804 718814728 /nfs/dbraw/zinc/81/47/28/718814728.db2.gz ZHQHTEYGRRVVHB-KRWDZBQOSA-N 2 1 402.892 3.842 20 0 HHADMP [NH3+][C@@H]1[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164439117 718986347 /nfs/dbraw/zinc/98/63/47/718986347.db2.gz BQPTZBCTLCRWJW-LFUKPOHLSA-N 2 1 405.571 3.738 20 0 HHADMP Clc1cc(C2CC[NH2+]CC2)nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164628645 719068939 /nfs/dbraw/zinc/06/89/39/719068939.db2.gz TUADCYWLTBTMCB-FPOVZHCZSA-N 2 1 411.981 3.698 20 0 HHADMP Cc1nc(-c2ccccc2)nc(Cl)c1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164679837 719643500 /nfs/dbraw/zinc/64/35/00/719643500.db2.gz OTKHDHHHYQIZEL-UHFFFAOYSA-N 2 1 410.953 3.777 20 0 HHADMP Cc1nc(-c2ccccc2)nc(Cl)c1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164679837 719643518 /nfs/dbraw/zinc/64/35/18/719643518.db2.gz OTKHDHHHYQIZEL-UHFFFAOYSA-N 2 1 410.953 3.777 20 0 HHADMP COc1ccc2c[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)cc2c1 ZINC001164840685 720575658 /nfs/dbraw/zinc/57/56/58/720575658.db2.gz SPRCCGIXCMDGEW-FUPPJEDESA-N 2 1 405.546 3.818 20 0 HHADMP COc1ccc2c[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc2c1 ZINC001164840685 720575673 /nfs/dbraw/zinc/57/56/73/720575673.db2.gz SPRCCGIXCMDGEW-FUPPJEDESA-N 2 1 405.546 3.818 20 0 HHADMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc[nH+]c(N3CCCCC3)n1)CC2 ZINC001164841773 720709885 /nfs/dbraw/zinc/70/98/85/720709885.db2.gz WUUIQJHNIJSVGH-JOCHJYFZSA-N 2 1 421.589 3.727 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc[nH+]c(N3CCCCC3)n1)CC2 ZINC001164841773 720709889 /nfs/dbraw/zinc/70/98/89/720709889.db2.gz WUUIQJHNIJSVGH-JOCHJYFZSA-N 2 1 421.589 3.727 20 0 HHADMP C[NH+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(C[N@H+](C)C3CC3)cn1)CC2 ZINC001164840922 720716672 /nfs/dbraw/zinc/71/66/72/720716672.db2.gz SPWXUAICMLDATF-DEOSSOPVSA-N 2 1 420.601 3.936 20 0 HHADMP C[NH+](Cc1ccc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1)C1CC1 ZINC001164840922 720716688 /nfs/dbraw/zinc/71/66/88/720716688.db2.gz SPWXUAICMLDATF-DEOSSOPVSA-N 2 1 420.601 3.936 20 0 HHADMP C[NH+](Cc1ccc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1)C1CC1 ZINC001164840922 720716698 /nfs/dbraw/zinc/71/66/98/720716698.db2.gz SPWXUAICMLDATF-DEOSSOPVSA-N 2 1 420.601 3.936 20 0 HHADMP c1cc2c(cc[nH+]c2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH]1 ZINC001164754597 720872876 /nfs/dbraw/zinc/87/28/76/720872876.db2.gz SEMDOPNEHGHSJF-PXDATVDWSA-N 2 1 417.557 3.713 20 0 HHADMP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ccc4c([nH+]2)CCC4)C3)c1 ZINC001164757496 720883933 /nfs/dbraw/zinc/88/39/33/720883933.db2.gz VFGDILWYSLFHHB-JYFHCDHNSA-N 2 1 418.585 3.720 20 0 HHADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccc4c([nH+]2)CCC4)C3)c1 ZINC001164757496 720883934 /nfs/dbraw/zinc/88/39/34/720883934.db2.gz VFGDILWYSLFHHB-JYFHCDHNSA-N 2 1 418.585 3.720 20 0 HHADMP Cc1c[nH+]c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc1C ZINC001164750069 720920675 /nfs/dbraw/zinc/92/06/75/720920675.db2.gz IYLVCPBFFMIYJK-UKILVPOCSA-N 2 1 406.574 3.849 20 0 HHADMP Cc1c[nH+]c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc1C ZINC001164750069 720920681 /nfs/dbraw/zinc/92/06/81/720920681.db2.gz IYLVCPBFFMIYJK-UKILVPOCSA-N 2 1 406.574 3.849 20 0 HHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164877604 721180454 /nfs/dbraw/zinc/18/04/54/721180454.db2.gz OYLSTQXREXUXCO-WXFUMESZSA-N 2 1 421.589 3.503 20 0 HHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164877604 721180464 /nfs/dbraw/zinc/18/04/64/721180464.db2.gz OYLSTQXREXUXCO-WXFUMESZSA-N 2 1 421.589 3.503 20 0 HHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164877604 721180477 /nfs/dbraw/zinc/18/04/77/721180477.db2.gz OYLSTQXREXUXCO-WXFUMESZSA-N 2 1 421.589 3.503 20 0 HHADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4[nH+]c(N5CCCC5)cc5ccccc54)C[C@@H]3C2)cn1 ZINC001164771865 721210422 /nfs/dbraw/zinc/21/04/22/721210422.db2.gz RLEKCFBXZRZMFZ-YADHBBJMSA-N 2 1 416.573 3.527 20 0 HHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3[nH]ccc3c(C)[nH+]1)CC2 ZINC001164786702 721464389 /nfs/dbraw/zinc/46/43/89/721464389.db2.gz PFJJHIWTYUYCDC-HXUWFJFHSA-N 2 1 412.578 3.605 20 0 HHADMP Cc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1NCC1CC1 ZINC001165026884 721798163 /nfs/dbraw/zinc/79/81/63/721798163.db2.gz RZHCKALWZLVDJC-BVSLBCMMSA-N 2 1 406.578 3.739 20 0 HHADMP Cc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1NCC1CC1 ZINC001165026884 721798165 /nfs/dbraw/zinc/79/81/65/721798165.db2.gz RZHCKALWZLVDJC-BVSLBCMMSA-N 2 1 406.578 3.739 20 0 HHADMP COc1cc2[nH+]c(NC[C@H]3CCC[N@H+](C)[C@@H]3c3cccs3)nc(N)c2cc1OC ZINC000301427516 970923464 /nfs/dbraw/zinc/92/34/64/970923464.db2.gz PKGSEYIAMXYORZ-YJYMSZOUSA-N 2 1 413.547 3.786 20 0 HHADMP COc1cc2[nH+]c(NC[C@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)nc(N)c2cc1OC ZINC000301427516 970923466 /nfs/dbraw/zinc/92/34/66/970923466.db2.gz PKGSEYIAMXYORZ-YJYMSZOUSA-N 2 1 413.547 3.786 20 0 HHADMP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000542142463 1013076299 /nfs/dbraw/zinc/07/62/99/1013076299.db2.gz MXAVOIIGIFBYMY-VGSWGCGISA-N 2 1 414.594 3.852 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537560865 1013090146 /nfs/dbraw/zinc/09/01/46/1013090146.db2.gz BBKZCIWSYKQHAY-YYWHXJBOSA-N 2 1 420.960 3.659 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537560865 1013090161 /nfs/dbraw/zinc/09/01/61/1013090161.db2.gz BBKZCIWSYKQHAY-YYWHXJBOSA-N 2 1 420.960 3.659 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000303211855 971563331 /nfs/dbraw/zinc/56/33/31/971563331.db2.gz OYFXEGAYAGWFKM-AKFKNWHVSA-N 2 1 414.638 3.608 20 0 HHADMP C[C@@H](CNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)[N@H+](C)Cc1ccccc1 ZINC000303509812 971809097 /nfs/dbraw/zinc/80/90/97/971809097.db2.gz SRBJHCUABIYSFA-PWRODBHTSA-N 2 1 409.574 3.546 20 0 HHADMP C[C@@H](CNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000303509812 971809103 /nfs/dbraw/zinc/80/91/03/971809103.db2.gz SRBJHCUABIYSFA-PWRODBHTSA-N 2 1 409.574 3.546 20 0 HHADMP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000303555987 971851687 /nfs/dbraw/zinc/85/16/87/971851687.db2.gz MLSICXXGBCLSAD-LJQANCHMSA-N 2 1 400.567 3.622 20 0 HHADMP CC(=O)N1CC[NH+](CCOc2ccc(CC[NH2+][C@H](C)[C@H](C)c3ccccc3)cc2)CC1 ZINC000542176405 1013114171 /nfs/dbraw/zinc/11/41/71/1013114171.db2.gz BBNARXSXWFZYHO-FCHUYYIVSA-N 2 1 423.601 3.554 20 0 HHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)CC1 ZINC000303619907 971903924 /nfs/dbraw/zinc/90/39/24/971903924.db2.gz WVOQGFLRMPPREX-UHFFFAOYSA-N 2 1 415.578 3.539 20 0 HHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000303685831 971962141 /nfs/dbraw/zinc/96/21/41/971962141.db2.gz ZWBXNKYVQKEPJF-OAQYLSRUSA-N 2 1 407.002 3.868 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCc2cccc(OC3CCCC3)c2)CC1 ZINC000524314095 1013130514 /nfs/dbraw/zinc/13/05/14/1013130514.db2.gz DAUKGKOFAJJADU-UHFFFAOYSA-N 2 1 408.546 3.726 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000537613491 1013152499 /nfs/dbraw/zinc/15/24/99/1013152499.db2.gz QIDXVDCKNVARTI-NFBKMPQASA-N 2 1 406.574 3.633 20 0 HHADMP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000537621822 1013167658 /nfs/dbraw/zinc/16/76/58/1013167658.db2.gz IOZQAIQTHJANDA-RDGATRHJSA-N 2 1 422.617 3.735 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000537810491 1013372732 /nfs/dbraw/zinc/37/27/32/1013372732.db2.gz RODKLWIXRKCPFD-QFIPXVFZSA-N 2 1 415.626 3.698 20 0 HHADMP Fc1ccc([C@@H](NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c2cccnc2)cc1 ZINC000542476026 1013423397 /nfs/dbraw/zinc/42/33/97/1013423397.db2.gz SEDVCIYXVQKJHY-XMMPIXPASA-N 2 1 405.521 3.507 20 0 HHADMP C[NH+]1CCN([C@H](C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)c2cccs2)CC1 ZINC000542477564 1013425902 /nfs/dbraw/zinc/42/59/02/1013425902.db2.gz FMFQVRQFESIGBM-FYYLOGMGSA-N 2 1 410.562 3.950 20 0 HHADMP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3cccnc3)c3ccc(F)c(C)c3)cn2)CC1 ZINC000542479645 1013427926 /nfs/dbraw/zinc/42/79/26/1013427926.db2.gz VGGZUWSMQBKENO-RUZDIDTESA-N 2 1 419.548 3.945 20 0 HHADMP CCOc1cc(C[NH2+]C2CC[NH+](CC)CC2)ccc1OCC(=O)Nc1ccccc1 ZINC000022778796 963714768 /nfs/dbraw/zinc/71/47/68/963714768.db2.gz HOOHJOJTARGUGK-UHFFFAOYSA-N 2 1 411.546 3.677 20 0 HHADMP Cc1ccccc1[C@@H](C[NH+]1CCOCC1)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000542499482 1013443892 /nfs/dbraw/zinc/44/38/92/1013443892.db2.gz CHMLDERPNUPYJW-AREMUKBSSA-N 2 1 423.601 3.685 20 0 HHADMP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000537873741 1013449075 /nfs/dbraw/zinc/44/90/75/1013449075.db2.gz AHVHPECZWYNPOA-DEOSSOPVSA-N 2 1 421.589 3.652 20 0 HHADMP CC(C)[NH+](CCNC(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)C(C)C ZINC000048693332 964030497 /nfs/dbraw/zinc/03/04/97/964030497.db2.gz AGMOCWIDNKYSHO-UHFFFAOYSA-N 2 1 416.610 3.625 20 0 HHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000542528640 1013471113 /nfs/dbraw/zinc/47/11/13/1013471113.db2.gz CJKVBIPYXYRBKB-BZSNNMDCSA-N 2 1 414.619 3.886 20 0 HHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000542528640 1013471117 /nfs/dbraw/zinc/47/11/17/1013471117.db2.gz CJKVBIPYXYRBKB-BZSNNMDCSA-N 2 1 414.619 3.886 20 0 HHADMP COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000542529831 1013472094 /nfs/dbraw/zinc/47/20/94/1013472094.db2.gz UPKLXHYEYHWENN-YDZRNGNQSA-N 2 1 417.594 3.512 20 0 HHADMP COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000542529831 1013472098 /nfs/dbraw/zinc/47/20/98/1013472098.db2.gz UPKLXHYEYHWENN-YDZRNGNQSA-N 2 1 417.594 3.512 20 0 HHADMP Cc1cc([C@H](C)[NH2+][C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c(C)s1 ZINC000542532513 1013476169 /nfs/dbraw/zinc/47/61/69/1013476169.db2.gz OUJHJVIOHXJJJQ-ROUUACIJSA-N 2 1 415.603 3.553 20 0 HHADMP C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)CC(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542534441 1013479385 /nfs/dbraw/zinc/47/93/85/1013479385.db2.gz ZXNRDLASFZPDMX-MJGOQNOKSA-N 2 1 411.512 3.820 20 0 HHADMP C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)CC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542534441 1013479392 /nfs/dbraw/zinc/47/93/92/1013479392.db2.gz ZXNRDLASFZPDMX-MJGOQNOKSA-N 2 1 411.512 3.820 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@H]3c3ccc(F)cc3)cc2)CC1 ZINC000025360700 964251209 /nfs/dbraw/zinc/25/12/09/964251209.db2.gz AZIMIWNDGLVXNA-QHCPKHFHSA-N 2 1 410.537 3.743 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@H]3c3ccc(F)cc3)cc2)CC1 ZINC000025360700 964251217 /nfs/dbraw/zinc/25/12/17/964251217.db2.gz AZIMIWNDGLVXNA-QHCPKHFHSA-N 2 1 410.537 3.743 20 0 HHADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000026310504 964522172 /nfs/dbraw/zinc/52/21/72/964522172.db2.gz OZTZCSQETZGTME-QHCPKHFHSA-N 2 1 423.630 3.688 20 0 HHADMP C[C@H](c1ccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1)[NH+]1CCOCC1 ZINC000537928208 1013512780 /nfs/dbraw/zinc/51/27/80/1013512780.db2.gz INUXGDJVOBXYLL-LJQANCHMSA-N 2 1 423.561 3.513 20 0 HHADMP Cc1cc(-c2noc([C@H](C)[NH+]3CCC(C)(C[NH+]4CCN(C)CC4)CC3)n2)ccc1F ZINC000542592809 1013532460 /nfs/dbraw/zinc/53/24/60/1013532460.db2.gz HSABCOPNRAVGIQ-SFHVURJKSA-N 2 1 415.557 3.595 20 0 HHADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H](C(C)C)[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000537986597 1013561694 /nfs/dbraw/zinc/56/16/94/1013561694.db2.gz KCBBKTMDSKWDKB-TUSQITKMSA-N 2 1 401.639 3.796 20 0 HHADMP CCOCCC[NH+]1CC[C@H](NC[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000537986597 1013561703 /nfs/dbraw/zinc/56/17/03/1013561703.db2.gz KCBBKTMDSKWDKB-TUSQITKMSA-N 2 1 401.639 3.796 20 0 HHADMP CCOCCC[NH+]1CC[C@H](NC[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000537986597 1013561710 /nfs/dbraw/zinc/56/17/10/1013561710.db2.gz KCBBKTMDSKWDKB-TUSQITKMSA-N 2 1 401.639 3.796 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C(C)C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000537986597 1013561716 /nfs/dbraw/zinc/56/17/16/1013561716.db2.gz KCBBKTMDSKWDKB-TUSQITKMSA-N 2 1 401.639 3.796 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C(C)C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000537986597 1013561724 /nfs/dbraw/zinc/56/17/24/1013561724.db2.gz KCBBKTMDSKWDKB-TUSQITKMSA-N 2 1 401.639 3.796 20 0 HHADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000054382351 965493747 /nfs/dbraw/zinc/49/37/47/965493747.db2.gz DMMZZUFBWIKJAO-KDURUIRLSA-N 2 1 415.626 3.625 20 0 HHADMP C[N@H+](CCOc1cccc(C[NH2+]Cc2ccn(-c3ccccc3)n2)c1)C1CCOCC1 ZINC000538003199 1013576608 /nfs/dbraw/zinc/57/66/08/1013576608.db2.gz WRIAXOSRGVZHJS-UHFFFAOYSA-N 2 1 420.557 3.652 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2ccn(-c3ccccc3)n2)c1)C1CCOCC1 ZINC000538003199 1013576619 /nfs/dbraw/zinc/57/66/19/1013576619.db2.gz WRIAXOSRGVZHJS-UHFFFAOYSA-N 2 1 420.557 3.652 20 0 HHADMP COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000057889466 965574149 /nfs/dbraw/zinc/57/41/49/965574149.db2.gz ZWJGGTTXVTUIMS-IBGZPJMESA-N 2 1 415.578 3.697 20 0 HHADMP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C[N@H+](C)Cc1ccccc1 ZINC000058880047 965938361 /nfs/dbraw/zinc/93/83/61/965938361.db2.gz SBADHBUUZSTVMK-UHFFFAOYSA-N 2 1 407.480 3.728 20 0 HHADMP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000058880047 965938373 /nfs/dbraw/zinc/93/83/73/965938373.db2.gz SBADHBUUZSTVMK-UHFFFAOYSA-N 2 1 407.480 3.728 20 0 HHADMP Cc1cccc(C)c1OCCC[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000538044890 1013618098 /nfs/dbraw/zinc/61/80/98/1013618098.db2.gz IVXGHEJNDFLPJV-SZPZYZBQSA-N 2 1 404.595 3.663 20 0 HHADMP Cc1cccc(C)c1OCCC[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000538044890 1013618101 /nfs/dbraw/zinc/61/81/01/1013618101.db2.gz IVXGHEJNDFLPJV-SZPZYZBQSA-N 2 1 404.595 3.663 20 0 HHADMP COc1c(Br)cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1Br ZINC000037409508 966474390 /nfs/dbraw/zinc/47/43/90/966474390.db2.gz MKSGMRRCEOXPST-LLVKDONJSA-N 2 1 418.173 3.794 20 0 HHADMP CC(C)(CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000061521656 966487807 /nfs/dbraw/zinc/48/78/07/966487807.db2.gz FIZHTHYFKWUTFN-UHFFFAOYSA-N 2 1 420.601 3.919 20 0 HHADMP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000061522779 966488803 /nfs/dbraw/zinc/48/88/03/966488803.db2.gz AWQOIINGRAUENT-FQEVSTJZSA-N 2 1 406.574 3.528 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000056889899 966503488 /nfs/dbraw/zinc/50/34/88/966503488.db2.gz ACJLMXLDGWEMRM-UHFFFAOYSA-N 2 1 404.574 3.552 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)[NH+](C)C)cc1 ZINC000061788805 966553016 /nfs/dbraw/zinc/55/30/16/966553016.db2.gz FCZLASJLYCVCBQ-JOCHJYFZSA-N 2 1 412.603 3.968 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)Cc1ccccc1 ZINC000061790293 966554298 /nfs/dbraw/zinc/55/42/98/966554298.db2.gz VGCZHHNBTQWOSP-NRFANRHFSA-N 2 1 412.603 3.530 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000061868925 966568561 /nfs/dbraw/zinc/56/85/61/966568561.db2.gz IIFQVFAPHYCTEJ-HXUWFJFHSA-N 2 1 408.590 3.773 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000061868925 966568564 /nfs/dbraw/zinc/56/85/64/966568564.db2.gz IIFQVFAPHYCTEJ-HXUWFJFHSA-N 2 1 408.590 3.773 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000061868925 966568568 /nfs/dbraw/zinc/56/85/68/966568568.db2.gz IIFQVFAPHYCTEJ-HXUWFJFHSA-N 2 1 408.590 3.773 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000063149980 966762970 /nfs/dbraw/zinc/76/29/70/966762970.db2.gz JIPSFQHRHNQSMK-UHFFFAOYSA-N 2 1 416.679 3.969 20 0 HHADMP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000063464036 966866197 /nfs/dbraw/zinc/86/61/97/966866197.db2.gz AWXQRCYYMQOMHV-GMAHTHKFSA-N 2 1 420.601 3.645 20 0 HHADMP C[C@@H](CNC(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000063464036 966866210 /nfs/dbraw/zinc/86/62/10/966866210.db2.gz AWXQRCYYMQOMHV-GMAHTHKFSA-N 2 1 420.601 3.645 20 0 HHADMP C[C@@H](CNC(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000063464036 966866215 /nfs/dbraw/zinc/86/62/15/966866215.db2.gz AWXQRCYYMQOMHV-GMAHTHKFSA-N 2 1 420.601 3.645 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000064251139 967105474 /nfs/dbraw/zinc/10/54/74/967105474.db2.gz RUMDCKWYTRMIEV-UHFFFAOYSA-N 2 1 406.640 3.722 20 0 HHADMP O=C(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)N(Cc1ccccc1)c1ccccc1 ZINC000064344359 967148772 /nfs/dbraw/zinc/14/87/72/967148772.db2.gz UYXJITUFAODVFC-UHFFFAOYSA-N 2 1 421.585 3.654 20 0 HHADMP COC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(C(F)(F)F)c1 ZINC000542847364 1013706561 /nfs/dbraw/zinc/70/65/61/1013706561.db2.gz QBNGGGUCTDDRQI-RTWAWAEBSA-N 2 1 408.464 3.749 20 0 HHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000064520987 967224075 /nfs/dbraw/zinc/22/40/75/967224075.db2.gz FNAAPUBTKQUTTQ-OAQYLSRUSA-N 2 1 411.615 3.989 20 0 HHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000542847718 1013706738 /nfs/dbraw/zinc/70/67/38/1013706738.db2.gz XBZSZNDXYVWMBJ-RPBOFIJWSA-N 2 1 402.542 3.507 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NCCCOc2cccc(C)c2)cc1 ZINC000542879166 1013728205 /nfs/dbraw/zinc/72/82/05/1013728205.db2.gz ODECAIBUPAKICT-LJQANCHMSA-N 2 1 406.530 3.725 20 0 HHADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000065451040 967473241 /nfs/dbraw/zinc/47/32/41/967473241.db2.gz SEKCGIMUULCYJX-HYBUGGRVSA-N 2 1 422.573 3.518 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000065451040 967473248 /nfs/dbraw/zinc/47/32/48/967473248.db2.gz SEKCGIMUULCYJX-HYBUGGRVSA-N 2 1 422.573 3.518 20 0 HHADMP C[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCC(C)CC1 ZINC000065477288 967486145 /nfs/dbraw/zinc/48/61/45/967486145.db2.gz OBILTZTVVDXROG-LJQANCHMSA-N 2 1 407.002 3.678 20 0 HHADMP C[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCC(C)CC1 ZINC000065477288 967486147 /nfs/dbraw/zinc/48/61/47/967486147.db2.gz OBILTZTVVDXROG-LJQANCHMSA-N 2 1 407.002 3.678 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NC(=O)Nc2cccc(C)c2C)cc1 ZINC000542883945 1013731983 /nfs/dbraw/zinc/73/19/83/1013731983.db2.gz ZVIYWHCKUBNTPZ-KRWDZBQOSA-N 2 1 405.502 3.796 20 0 HHADMP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000542886103 1013733443 /nfs/dbraw/zinc/73/34/43/1013733443.db2.gz QPGLWCZGDXDVIP-CVEARBPZSA-N 2 1 405.502 3.817 20 0 HHADMP CC(C)[N@H+](Cc1ccc(NC(=O)NCC2=CC[NH+](C)CC2)cc1)C[C@@H]1CCCCO1 ZINC000542891542 1013737100 /nfs/dbraw/zinc/73/71/00/1013737100.db2.gz ZXAUTEOMPJRMHQ-QHCPKHFHSA-N 2 1 414.594 3.850 20 0 HHADMP CC(C)[NH+](Cc1ccc(NC(=O)NCC2=CC[N@H+](C)CC2)cc1)C[C@@H]1CCCCO1 ZINC000542891542 1013737105 /nfs/dbraw/zinc/73/71/05/1013737105.db2.gz ZXAUTEOMPJRMHQ-QHCPKHFHSA-N 2 1 414.594 3.850 20 0 HHADMP CC(C)[NH+](Cc1ccc(NC(=O)NCC2=CC[N@@H+](C)CC2)cc1)C[C@@H]1CCCCO1 ZINC000542891542 1013737108 /nfs/dbraw/zinc/73/71/08/1013737108.db2.gz ZXAUTEOMPJRMHQ-QHCPKHFHSA-N 2 1 414.594 3.850 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCCc2nc3ccccc3s2)cc1 ZINC000538268887 1013809398 /nfs/dbraw/zinc/80/93/98/1013809398.db2.gz OWZMSKVRSACOLU-INIZCTEOSA-N 2 1 419.554 3.800 20 0 HHADMP C[C@H]([NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cccc(N2CCCC2)c1 ZINC000538277931 1013816508 /nfs/dbraw/zinc/81/65/08/1013816508.db2.gz VGPFIITTXIMWBH-VXKWHMMOSA-N 2 1 420.601 3.843 20 0 HHADMP CCc1ccc([C@@H](CNC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)[NH+](CC)CC)cc1 ZINC000554220610 1013859795 /nfs/dbraw/zinc/85/97/95/1013859795.db2.gz ZERHTFYYFOZKLG-OAQYLSRUSA-N 2 1 422.577 3.598 20 0 HHADMP COc1cccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)c1 ZINC000108929491 969435895 /nfs/dbraw/zinc/43/58/95/969435895.db2.gz XNIAVVMXOARWJA-UKILVPOCSA-N 2 1 421.585 3.861 20 0 HHADMP CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000110233353 969641190 /nfs/dbraw/zinc/64/11/90/969641190.db2.gz NQEHSZOUOBLPNZ-WOJBJXKFSA-N 2 1 401.595 3.961 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)C1CC[NH+](Cc2csc(C)n2)CC1)c1ccsc1 ZINC000110439234 969668260 /nfs/dbraw/zinc/66/82/60/969668260.db2.gz ZXFGYYDXHSJCOX-HXUWFJFHSA-N 2 1 420.648 3.924 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N3CCC[N@H+](CC4CCCCC4)CC3)CC2)cs1 ZINC000110535466 969682734 /nfs/dbraw/zinc/68/27/34/969682734.db2.gz NTDQAMWABCRZDR-UHFFFAOYSA-N 2 1 418.651 3.778 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N3CCC[N@@H+](CC4CCCCC4)CC3)CC2)cs1 ZINC000110535466 969682740 /nfs/dbraw/zinc/68/27/40/969682740.db2.gz NTDQAMWABCRZDR-UHFFFAOYSA-N 2 1 418.651 3.778 20 0 HHADMP CC[NH+](CC)[C@H](C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1)c1ccccc1 ZINC000111036909 969763649 /nfs/dbraw/zinc/76/36/49/969763649.db2.gz LDSFYPZBPXDUIE-DEOSSOPVSA-N 2 1 409.574 3.813 20 0 HHADMP CC[NH+](CC)[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1)c1ccccc1 ZINC000111036909 969763656 /nfs/dbraw/zinc/76/36/56/969763656.db2.gz LDSFYPZBPXDUIE-DEOSSOPVSA-N 2 1 409.574 3.813 20 0 HHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nn(-c4ccccc4)c4c3CCC4)CC2)C[C@H](C)O1 ZINC000112516182 969812928 /nfs/dbraw/zinc/81/29/28/969812928.db2.gz GFHRCJWBLRDBBF-BGYRXZFFSA-N 2 1 408.590 3.682 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nn(-c4ccccc4)c4c3CCC4)CC2)C[C@H](C)O1 ZINC000112516182 969812934 /nfs/dbraw/zinc/81/29/34/969812934.db2.gz GFHRCJWBLRDBBF-BGYRXZFFSA-N 2 1 408.590 3.682 20 0 HHADMP COC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cccc(Cl)c1F ZINC000554363269 1013921877 /nfs/dbraw/zinc/92/18/77/1013921877.db2.gz DPVAUBOMVRCIEX-NRFANRHFSA-N 2 1 406.929 3.913 20 0 HHADMP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000195633517 969921264 /nfs/dbraw/zinc/92/12/64/969921264.db2.gz CXNKHQDXMPACCI-HXUWFJFHSA-N 2 1 406.574 3.699 20 0 HHADMP CC[NH+](CC)[C@H](C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccccc1 ZINC000229641675 970132398 /nfs/dbraw/zinc/13/23/98/970132398.db2.gz NVAWGIOQEHBVPR-RDPSFJRHSA-N 2 1 409.574 3.607 20 0 HHADMP CC[NH+](CC)[C@H](C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccccc1 ZINC000229641675 970132402 /nfs/dbraw/zinc/13/24/02/970132402.db2.gz NVAWGIOQEHBVPR-RDPSFJRHSA-N 2 1 409.574 3.607 20 0 HHADMP CCOc1ccc(C(=O)N2CCC([NH2+]C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000236961407 970196103 /nfs/dbraw/zinc/19/61/03/970196103.db2.gz FGYXDFSTJXBRMK-UHFFFAOYSA-N 2 1 421.585 3.944 20 0 HHADMP CCc1oc2ccccc2c1C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000237096768 970221100 /nfs/dbraw/zinc/22/11/00/970221100.db2.gz WACLXTPRVWSESD-UHFFFAOYSA-N 2 1 421.541 3.946 20 0 HHADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000237169398 970234398 /nfs/dbraw/zinc/23/43/98/970234398.db2.gz PPABWNWHVODWSA-UHFFFAOYSA-N 2 1 409.622 3.588 20 0 HHADMP Cc1c(F)cccc1-c1ccc(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)o1 ZINC000237180514 970236589 /nfs/dbraw/zinc/23/65/89/970236589.db2.gz VVBRQHLSTVCNRA-UHFFFAOYSA-N 2 1 409.505 3.975 20 0 HHADMP C[C@@H]1C[N@H+](CCCC[NH2+]CC2=Cc3cc(Br)ccc3OC2)C[C@H](C)O1 ZINC000237607805 970321122 /nfs/dbraw/zinc/32/11/22/970321122.db2.gz CIMYIGPXIOEZOC-IYBDPMFKSA-N 2 1 409.368 3.704 20 0 HHADMP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]CCC[NH+]2CCC(O)CC2)c1 ZINC000237882856 970388371 /nfs/dbraw/zinc/38/83/71/970388371.db2.gz ZXEQCMKMWNLTEA-UHFFFAOYSA-N 2 1 422.548 3.923 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000237915870 970393216 /nfs/dbraw/zinc/39/32/16/970393216.db2.gz KUNAMPWZBAVWIG-LJQANCHMSA-N 2 1 405.464 3.693 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(-c4ccccc4)o3)c2)C1 ZINC000237923774 970395321 /nfs/dbraw/zinc/39/53/21/970395321.db2.gz OVPDVCDJHSUSSM-JOCHJYFZSA-N 2 1 403.526 3.934 20 0 HHADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(-c3cccc(Cl)c3Cl)o2)C1 ZINC000237932607 970397994 /nfs/dbraw/zinc/39/79/94/970397994.db2.gz CJYXHOZOOKXLHR-AWEZNQCLSA-N 2 1 410.345 3.930 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(-c3cccc(Cl)c3Cl)o2)C1 ZINC000237932607 970398001 /nfs/dbraw/zinc/39/80/01/970398001.db2.gz CJYXHOZOOKXLHR-AWEZNQCLSA-N 2 1 410.345 3.930 20 0 HHADMP O=C(Nc1cccc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c1)c1ccccc1Cl ZINC000237965174 970406713 /nfs/dbraw/zinc/40/67/13/970406713.db2.gz SSFDLEBUMNSVEH-FQEVSTJZSA-N 2 1 415.965 3.919 20 0 HHADMP O=C(Nc1cccc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c1)c1ccc(Cl)cc1 ZINC000237965131 970406825 /nfs/dbraw/zinc/40/68/25/970406825.db2.gz SNLBMDRTLRZJMP-QFIPXVFZSA-N 2 1 415.965 3.919 20 0 HHADMP O[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C[NH+]1CCCC1 ZINC000237976919 970408854 /nfs/dbraw/zinc/40/88/54/970408854.db2.gz BTNHOKNEADWLHE-JOCHJYFZSA-N 2 1 416.525 3.832 20 0 HHADMP COc1cccc([C@H](CNC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)[NH+]2CCCC2)c1 ZINC000195614943 970557798 /nfs/dbraw/zinc/55/77/98/970557798.db2.gz XWGUUOPZAGNVJO-KNQAVFIVSA-N 2 1 416.610 3.642 20 0 HHADMP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000554740252 1014035329 /nfs/dbraw/zinc/03/53/29/1014035329.db2.gz DIVYRQUBMXSIMG-SFHVURJKSA-N 2 1 408.468 3.993 20 0 HHADMP C[C@@H]([NH2+]CC(=O)Nc1cccc(Br)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388678308 972807048 /nfs/dbraw/zinc/80/70/48/972807048.db2.gz RHWVKFNVHNXXEX-AEFFLSMTSA-N 2 1 416.363 3.888 20 0 HHADMP C[C@@H]([NH2+]CC(=O)Nc1cccc(Br)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388678308 972807058 /nfs/dbraw/zinc/80/70/58/972807058.db2.gz RHWVKFNVHNXXEX-AEFFLSMTSA-N 2 1 416.363 3.888 20 0 HHADMP COc1c(Br)cc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1Br ZINC000392294864 972851636 /nfs/dbraw/zinc/85/16/36/972851636.db2.gz QEOJQCAPYCEYIH-UHFFFAOYSA-N 2 1 404.146 3.572 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000410311123 973854219 /nfs/dbraw/zinc/85/42/19/973854219.db2.gz SKYWLEWORUBWBQ-SZPZYZBQSA-N 2 1 414.638 3.751 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000410327885 973890071 /nfs/dbraw/zinc/89/00/71/973890071.db2.gz SMTYTVVKHFUZMJ-UHFFFAOYSA-N 2 1 420.601 3.529 20 0 HHADMP CC1CC[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000410347332 973935200 /nfs/dbraw/zinc/93/52/00/973935200.db2.gz AZNJVDDERIDKTD-VWLOTQADSA-N 2 1 420.601 3.992 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000410359281 973950372 /nfs/dbraw/zinc/95/03/72/973950372.db2.gz MTFUQHDILHFUHM-HXUWFJFHSA-N 2 1 400.611 3.838 20 0 HHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000426036598 974159594 /nfs/dbraw/zinc/15/95/94/974159594.db2.gz QULHBKFPCUHKAA-QFIPXVFZSA-N 2 1 414.981 3.551 20 0 HHADMP C[NH+](C)CCN1CCC(C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000426038491 974161739 /nfs/dbraw/zinc/16/17/39/974161739.db2.gz ZGBGLGZJKYJVDL-HSZRJFAPSA-N 2 1 400.998 3.882 20 0 HHADMP C[C@H](CCCC(F)(F)F)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000426090227 974213854 /nfs/dbraw/zinc/21/38/54/974213854.db2.gz QZJNLXJTKKVINF-QGZVFWFLSA-N 2 1 420.564 3.945 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C[C@@H]1C ZINC000426142859 974262954 /nfs/dbraw/zinc/26/29/54/974262954.db2.gz WPDCFFGKZFDHLN-FPOVZHCZSA-N 2 1 402.583 3.888 20 0 HHADMP CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426810920 974677222 /nfs/dbraw/zinc/67/72/22/974677222.db2.gz KBLNOICVWSIREI-HSALFYBXSA-N 2 1 401.595 3.787 20 0 HHADMP CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426810920 974677226 /nfs/dbraw/zinc/67/72/26/974677226.db2.gz KBLNOICVWSIREI-HSALFYBXSA-N 2 1 401.595 3.787 20 0 HHADMP CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426810922 974677400 /nfs/dbraw/zinc/67/74/00/974677400.db2.gz KBLNOICVWSIREI-ZCNNSNEGSA-N 2 1 401.595 3.787 20 0 HHADMP CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426810922 974677406 /nfs/dbraw/zinc/67/74/06/974677406.db2.gz KBLNOICVWSIREI-ZCNNSNEGSA-N 2 1 401.595 3.787 20 0 HHADMP CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426821457 974686677 /nfs/dbraw/zinc/68/66/77/974686677.db2.gz SUQMNRYMMKSTOV-OTWHNJEPSA-N 2 1 419.635 3.947 20 0 HHADMP CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426821457 974686682 /nfs/dbraw/zinc/68/66/82/974686682.db2.gz SUQMNRYMMKSTOV-OTWHNJEPSA-N 2 1 419.635 3.947 20 0 HHADMP CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426821455 974686714 /nfs/dbraw/zinc/68/67/14/974686714.db2.gz SUQMNRYMMKSTOV-CEXWTWQISA-N 2 1 419.635 3.947 20 0 HHADMP CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426821455 974686716 /nfs/dbraw/zinc/68/67/16/974686716.db2.gz SUQMNRYMMKSTOV-CEXWTWQISA-N 2 1 419.635 3.947 20 0 HHADMP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@@H](c3cccc(Cl)c3)[NH+](C)C)CC2)C[C@@H](C)O1 ZINC000427321628 975051908 /nfs/dbraw/zinc/05/19/08/975051908.db2.gz QGIDLVHIPZUERZ-JBYIUTFZSA-N 2 1 422.013 3.681 20 0 HHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ncc(Br)cc3F)CC2)nc(C)[nH+]1 ZINC000427705220 975245068 /nfs/dbraw/zinc/24/50/68/975245068.db2.gz NFSZEKOVLHPIQT-GFCCVEGCSA-N 2 1 408.319 3.710 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000428270328 975584648 /nfs/dbraw/zinc/58/46/48/975584648.db2.gz MYNDNPOCCQTXAH-UIFIKXQLSA-N 2 1 400.592 3.703 20 0 HHADMP C[C@H]1C[C@H](NC(=O)NCCC[NH+](C)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000428273333 975587339 /nfs/dbraw/zinc/58/73/39/975587339.db2.gz ZTRSPCYDEJKXMZ-XUZZJYLKSA-N 2 1 408.590 3.861 20 0 HHADMP C[C@H]1C[C@H](NC(=O)NCCC[N@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000428273333 975587348 /nfs/dbraw/zinc/58/73/48/975587348.db2.gz ZTRSPCYDEJKXMZ-XUZZJYLKSA-N 2 1 408.590 3.861 20 0 HHADMP C[C@H]1C[C@H](NC(=O)NCCC[N@@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000428273333 975587356 /nfs/dbraw/zinc/58/73/56/975587356.db2.gz ZTRSPCYDEJKXMZ-XUZZJYLKSA-N 2 1 408.590 3.861 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000428856514 976147045 /nfs/dbraw/zinc/14/70/45/976147045.db2.gz NILJXYSBCAISAV-GGAORHGYSA-N 2 1 400.611 3.995 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)NCC[NH+](C)Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000428918179 976219436 /nfs/dbraw/zinc/21/94/36/976219436.db2.gz AVYMYZDDJBTQJC-CVDCTZTESA-N 2 1 412.553 3.610 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000428918179 976219448 /nfs/dbraw/zinc/21/94/48/976219448.db2.gz AVYMYZDDJBTQJC-CVDCTZTESA-N 2 1 412.553 3.610 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000428918179 976219456 /nfs/dbraw/zinc/21/94/56/976219456.db2.gz AVYMYZDDJBTQJC-CVDCTZTESA-N 2 1 412.553 3.610 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000428923094 976224622 /nfs/dbraw/zinc/22/46/22/976224622.db2.gz DJMRWTSJNGWGGY-NQIIRXRSSA-N 2 1 413.528 3.883 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000428923094 976224634 /nfs/dbraw/zinc/22/46/34/976224634.db2.gz DJMRWTSJNGWGGY-NQIIRXRSSA-N 2 1 413.528 3.883 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000429235540 976526040 /nfs/dbraw/zinc/52/60/40/976526040.db2.gz JUTUDMDBMFFQOS-UHFFFAOYSA-N 2 1 419.573 3.955 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000429235540 976526052 /nfs/dbraw/zinc/52/60/52/976526052.db2.gz JUTUDMDBMFFQOS-UHFFFAOYSA-N 2 1 419.573 3.955 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000429254355 976542338 /nfs/dbraw/zinc/54/23/38/976542338.db2.gz MVZFMRJBKONQCA-UHFFFAOYSA-N 2 1 412.607 3.866 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000429254355 976542343 /nfs/dbraw/zinc/54/23/43/976542343.db2.gz MVZFMRJBKONQCA-UHFFFAOYSA-N 2 1 412.607 3.866 20 0 HHADMP C[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000429421947 976699682 /nfs/dbraw/zinc/69/96/82/976699682.db2.gz YBHBFJUOEDSWEJ-SQJMNOBHSA-N 2 1 411.590 3.569 20 0 HHADMP C[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000429421947 976699691 /nfs/dbraw/zinc/69/96/91/976699691.db2.gz YBHBFJUOEDSWEJ-SQJMNOBHSA-N 2 1 411.590 3.569 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)C[C@H]1C ZINC000429497572 976754573 /nfs/dbraw/zinc/75/45/73/976754573.db2.gz QXZQFUSAXLZNKN-OIBXWCBGSA-N 2 1 414.638 3.974 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)C[C@H]1C ZINC000429497572 976754583 /nfs/dbraw/zinc/75/45/83/976754583.db2.gz QXZQFUSAXLZNKN-OIBXWCBGSA-N 2 1 414.638 3.974 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)C[C@H]1C ZINC000429497572 976754589 /nfs/dbraw/zinc/75/45/89/976754589.db2.gz QXZQFUSAXLZNKN-OIBXWCBGSA-N 2 1 414.638 3.974 20 0 HHADMP CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000429504485 976760354 /nfs/dbraw/zinc/76/03/54/976760354.db2.gz QJWVYEPEAIHUHE-QHCPKHFHSA-N 2 1 414.638 3.975 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)CC1 ZINC000430111646 977323353 /nfs/dbraw/zinc/32/33/53/977323353.db2.gz SQGNQNPMATYZRR-UHFFFAOYSA-N 2 1 424.564 3.621 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)CC1 ZINC000430111646 977323361 /nfs/dbraw/zinc/32/33/61/977323361.db2.gz SQGNQNPMATYZRR-UHFFFAOYSA-N 2 1 424.564 3.621 20 0 HHADMP C[NH+]1CCC(N(Cc2ccco2)C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000430219265 977398893 /nfs/dbraw/zinc/39/88/93/977398893.db2.gz OJIHQQXUYNUELC-RUZDIDTESA-N 2 1 424.589 3.940 20 0 HHADMP CC[C@H](Oc1ccccc1C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430674387 977685560 /nfs/dbraw/zinc/68/55/60/977685560.db2.gz IZINCHLQJIMNMZ-QHCPKHFHSA-N 2 1 415.622 3.807 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000430674276 977685696 /nfs/dbraw/zinc/68/56/96/977685696.db2.gz IKKUJKOZPNVGDU-VQTJNVASSA-N 2 1 419.560 3.723 20 0 HHADMP CC(C)Oc1ccccc1CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430677695 977688073 /nfs/dbraw/zinc/68/80/73/977688073.db2.gz KESLTOJQSFEOCR-UHFFFAOYSA-N 2 1 415.622 3.671 20 0 HHADMP CCOc1ccc(CCC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000430679063 977689702 /nfs/dbraw/zinc/68/97/02/977689702.db2.gz LCLCJIJLDVWLLQ-UHFFFAOYSA-N 2 1 415.622 3.673 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1CSc2ccccc21 ZINC000430680452 977690822 /nfs/dbraw/zinc/69/08/22/977690822.db2.gz YJDWKPASKGMMDU-NRFANRHFSA-N 2 1 401.620 3.531 20 0 HHADMP CC(C)Oc1cccc(CC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430681285 977691729 /nfs/dbraw/zinc/69/17/29/977691729.db2.gz DTLZYKIWJICNQF-UHFFFAOYSA-N 2 1 415.622 3.671 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C/C=C/c1ccccc1F ZINC000430680851 977691878 /nfs/dbraw/zinc/69/18/78/977691878.db2.gz ZEBAQXAVOJPWCI-FNORWQNLSA-N 2 1 401.570 3.884 20 0 HHADMP C[C@@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(F)c(F)c1 ZINC000430688540 977696818 /nfs/dbraw/zinc/69/68/18/977696818.db2.gz YHRBGSSJXGSVGY-QGZVFWFLSA-N 2 1 407.549 3.723 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCSC2(CCCCC2)C1 ZINC000430758651 977735487 /nfs/dbraw/zinc/73/54/87/977735487.db2.gz BAQRLWDXRAHZKY-HXUWFJFHSA-N 2 1 415.647 3.907 20 0 HHADMP COc1ccccc1COC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000430828634 977784511 /nfs/dbraw/zinc/78/45/11/977784511.db2.gz BXGZBILIQYUYHZ-AGILITTLSA-N 2 1 412.574 3.558 20 0 HHADMP COc1ccccc1COC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000430828634 977784520 /nfs/dbraw/zinc/78/45/20/977784520.db2.gz BXGZBILIQYUYHZ-AGILITTLSA-N 2 1 412.574 3.558 20 0 HHADMP COc1ccccc1COC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430828634 977784530 /nfs/dbraw/zinc/78/45/30/977784530.db2.gz BXGZBILIQYUYHZ-AGILITTLSA-N 2 1 412.574 3.558 20 0 HHADMP COc1ccccc1COC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430828634 977784539 /nfs/dbraw/zinc/78/45/39/977784539.db2.gz BXGZBILIQYUYHZ-AGILITTLSA-N 2 1 412.574 3.558 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000431192627 978086539 /nfs/dbraw/zinc/08/65/39/978086539.db2.gz LXRIULHQKQJOBX-UHFFFAOYSA-N 2 1 414.594 3.672 20 0 HHADMP COc1ccc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000431209315 978093759 /nfs/dbraw/zinc/09/37/59/978093759.db2.gz SFJIZHDNMZPZBL-UHFFFAOYSA-N 2 1 402.583 3.664 20 0 HHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431286237 978172580 /nfs/dbraw/zinc/17/25/80/978172580.db2.gz XDSUHRBTKNNRQP-FGZHOGPDSA-N 2 1 412.622 3.805 20 0 HHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000431405061 978278097 /nfs/dbraw/zinc/27/80/97/978278097.db2.gz QAHURCXCRWSHNO-GMAHTHKFSA-N 2 1 416.610 3.583 20 0 HHADMP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000431650869 978410102 /nfs/dbraw/zinc/41/01/02/978410102.db2.gz GALZGFNYPRZSPG-XMMPIXPASA-N 2 1 414.638 3.608 20 0 HHADMP CCc1nc([C@H](C)NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cs1 ZINC000431664143 978420786 /nfs/dbraw/zinc/42/07/86/978420786.db2.gz XERLNUMHULIZGQ-KRWDZBQOSA-N 2 1 421.655 3.604 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000431688903 978436603 /nfs/dbraw/zinc/43/66/03/978436603.db2.gz FRATYHAYORYRJH-HUVFLSCGSA-N 2 1 406.574 3.613 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000431688903 978436606 /nfs/dbraw/zinc/43/66/06/978436606.db2.gz FRATYHAYORYRJH-HUVFLSCGSA-N 2 1 406.574 3.613 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000431688903 978436609 /nfs/dbraw/zinc/43/66/09/978436609.db2.gz FRATYHAYORYRJH-HUVFLSCGSA-N 2 1 406.574 3.613 20 0 HHADMP CCS[C@H]1CCCC[C@@H]1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431687970 978436771 /nfs/dbraw/zinc/43/67/71/978436771.db2.gz RUDMWVLGNJUPNW-VXKWHMMOSA-N 2 1 424.699 3.888 20 0 HHADMP Cc1cc(C)c(CNC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000431787321 978513834 /nfs/dbraw/zinc/51/38/34/978513834.db2.gz VHIQKWRNAADSBX-UHFFFAOYSA-N 2 1 414.638 3.950 20 0 HHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000431787870 978513843 /nfs/dbraw/zinc/51/38/43/978513843.db2.gz YAXBVUUZSYHDMN-HXUWFJFHSA-N 2 1 407.986 3.564 20 0 HHADMP Cc1cc([C@H](C)NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)o1 ZINC000431800062 978522628 /nfs/dbraw/zinc/52/26/28/978522628.db2.gz VSOXDZQIACVXAT-SFHVURJKSA-N 2 1 404.599 3.795 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)cc2)C[C@@H](C)O1 ZINC000431902341 978588001 /nfs/dbraw/zinc/58/80/01/978588001.db2.gz ONCUYWOUHRTVTF-YOSAUDMPSA-N 2 1 413.606 3.709 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3C3CCCC3)cc2)C[C@H](C)O1 ZINC000431902338 978588082 /nfs/dbraw/zinc/58/80/82/978588082.db2.gz ONCUYWOUHRTVTF-JXALWOEJSA-N 2 1 413.606 3.709 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)cc2)C[C@H](C)O1 ZINC000431902338 978588084 /nfs/dbraw/zinc/58/80/84/978588084.db2.gz ONCUYWOUHRTVTF-JXALWOEJSA-N 2 1 413.606 3.709 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)cc2)C[C@H](C)O1 ZINC000431902338 978588090 /nfs/dbraw/zinc/58/80/90/978588090.db2.gz ONCUYWOUHRTVTF-JXALWOEJSA-N 2 1 413.606 3.709 20 0 HHADMP Cc1cc(C)c(NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)c(Br)c1 ZINC000431988157 978633152 /nfs/dbraw/zinc/63/31/52/978633152.db2.gz SRSFEVQGTNVTLU-UHFFFAOYSA-N 2 1 411.388 3.556 20 0 HHADMP Cc1cc(C)c(NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)c(Br)c1 ZINC000431988157 978633153 /nfs/dbraw/zinc/63/31/53/978633153.db2.gz SRSFEVQGTNVTLU-UHFFFAOYSA-N 2 1 411.388 3.556 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C2CCC(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000432411406 978800620 /nfs/dbraw/zinc/80/06/20/978800620.db2.gz XWSFTVOGKQUROH-KGXSXCIVSA-N 2 1 411.512 3.909 20 0 HHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000432426367 978806980 /nfs/dbraw/zinc/80/69/80/978806980.db2.gz ZNLPGRUHINFRFV-SFHLNBCPSA-N 2 1 408.558 3.925 20 0 HHADMP COc1cc(C[NH+]2CC[C@H](C)C[C@@H]2[C@H](C)O)cc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c1 ZINC000432791802 978975690 /nfs/dbraw/zinc/97/56/90/978975690.db2.gz IBLPFWAWDGOHMX-ZCSHXWBDSA-N 2 1 418.622 3.658 20 0 HHADMP CCN([C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000432871651 978997234 /nfs/dbraw/zinc/99/72/34/978997234.db2.gz LWMHPONFWIZHBO-KNQAVFIVSA-N 2 1 415.603 3.594 20 0 HHADMP COc1ccc(COC[C@H](O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000433074244 979059535 /nfs/dbraw/zinc/05/95/35/979059535.db2.gz HVGSQLVPKFRHGG-XMMPIXPASA-N 2 1 424.585 3.561 20 0 HHADMP Cc1cnc(C2CC[NH+](CC(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CC2)s1 ZINC000433138245 979093281 /nfs/dbraw/zinc/09/32/81/979093281.db2.gz WWYQMLQZDBPHHU-UHFFFAOYSA-N 2 1 412.603 3.543 20 0 HHADMP C[C@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000433248997 979180799 /nfs/dbraw/zinc/18/07/99/979180799.db2.gz VBUMHANQOKIUGE-RZQQEMMASA-N 2 1 420.395 3.797 20 0 HHADMP C[C@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000433248997 979180802 /nfs/dbraw/zinc/18/08/02/979180802.db2.gz VBUMHANQOKIUGE-RZQQEMMASA-N 2 1 420.395 3.797 20 0 HHADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000433388564 979270331 /nfs/dbraw/zinc/27/03/31/979270331.db2.gz VBLNAEHLOONAAZ-SIKLNZKXSA-N 2 1 421.601 3.698 20 0 HHADMP Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000434313606 980074443 /nfs/dbraw/zinc/07/44/43/980074443.db2.gz AVBAWMFHGXLFTB-UNMCSNQZSA-N 2 1 409.578 3.842 20 0 HHADMP C[C@@H](c1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1)[NH+]1CCOCC1 ZINC000436333895 981306393 /nfs/dbraw/zinc/30/63/93/981306393.db2.gz KIXGTHQVGFHDGY-WMZHIEFXSA-N 2 1 414.594 3.998 20 0 HHADMP C[C@@H](c1ccc(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1)[NH+]1CCOCC1 ZINC000436333895 981306396 /nfs/dbraw/zinc/30/63/96/981306396.db2.gz KIXGTHQVGFHDGY-WMZHIEFXSA-N 2 1 414.594 3.998 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)CC1 ZINC000448201575 981613553 /nfs/dbraw/zinc/61/35/53/981613553.db2.gz BPRREHYMYNSSMY-LJQANCHMSA-N 2 1 409.578 3.610 20 0 HHADMP O=C(c1ccccc1O)N1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000436908561 981613743 /nfs/dbraw/zinc/61/37/43/981613743.db2.gz JNVBDBWUUBTDAB-NUNAXRQHSA-N 2 1 419.569 3.782 20 0 HHADMP CC1CC[NH+]([C@@H](CNC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c2ccccc2)CC1 ZINC000448213443 981627693 /nfs/dbraw/zinc/62/76/93/981627693.db2.gz PEMHLXWCNXDLCG-QHCPKHFHSA-N 2 1 423.605 3.857 20 0 HHADMP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC(Cc4[nH+]ccn4C)CC3)cc2)C1 ZINC000448217551 981631705 /nfs/dbraw/zinc/63/17/05/981631705.db2.gz NGHGYVYSBOYXHS-FQEVSTJZSA-N 2 1 423.605 3.816 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC(Cc4[nH+]ccn4C)CC3)cc2)C1 ZINC000448217551 981631713 /nfs/dbraw/zinc/63/17/13/981631713.db2.gz NGHGYVYSBOYXHS-FQEVSTJZSA-N 2 1 423.605 3.816 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000448221358 981636258 /nfs/dbraw/zinc/63/62/58/981636258.db2.gz YFUGXEHIVAWQPS-HXUWFJFHSA-N 2 1 406.640 3.627 20 0 HHADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000448402673 981756309 /nfs/dbraw/zinc/75/63/09/981756309.db2.gz SHFYEZRTUDLSLV-LJQANCHMSA-N 2 1 404.624 3.725 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000448402673 981756314 /nfs/dbraw/zinc/75/63/14/981756314.db2.gz SHFYEZRTUDLSLV-LJQANCHMSA-N 2 1 404.624 3.725 20 0 HHADMP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448468581 981807198 /nfs/dbraw/zinc/80/71/98/981807198.db2.gz VIJZZKXPQPGEFO-LADGPHEKSA-N 2 1 410.606 3.831 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000448475403 981818319 /nfs/dbraw/zinc/81/83/19/981818319.db2.gz SOXOGNLOMRYLCT-QFIPXVFZSA-N 2 1 400.611 3.660 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000460161209 981933915 /nfs/dbraw/zinc/93/39/15/981933915.db2.gz KXDWLJSMDXXAOV-RPBOFIJWSA-N 2 1 420.601 3.802 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000460161209 981933922 /nfs/dbraw/zinc/93/39/22/981933922.db2.gz KXDWLJSMDXXAOV-RPBOFIJWSA-N 2 1 420.601 3.802 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000460161209 981933928 /nfs/dbraw/zinc/93/39/28/981933928.db2.gz KXDWLJSMDXXAOV-RPBOFIJWSA-N 2 1 420.601 3.802 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000460164587 981937159 /nfs/dbraw/zinc/93/71/59/981937159.db2.gz DFVVDWPBRIZZFH-RPWUZVMVSA-N 2 1 412.622 3.662 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000460363814 982139587 /nfs/dbraw/zinc/13/95/87/982139587.db2.gz JOBZLNUPWKRGET-DTVZVWBHSA-N 2 1 410.949 3.594 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000460363814 982139592 /nfs/dbraw/zinc/13/95/92/982139592.db2.gz JOBZLNUPWKRGET-DTVZVWBHSA-N 2 1 410.949 3.594 20 0 HHADMP CC(C)[NH+](CCCNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C(C)C ZINC000460403539 982184639 /nfs/dbraw/zinc/18/46/39/982184639.db2.gz ROJQMABVCUNKCE-XZOQPEGZSA-N 2 1 400.611 3.659 20 0 HHADMP O=C(NC1CC[NH+](C2CCCC2)CC1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460472874 982265934 /nfs/dbraw/zinc/26/59/34/982265934.db2.gz ZLKDIZHHPNGJPA-FGZHOGPDSA-N 2 1 410.606 3.557 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000437772636 982346951 /nfs/dbraw/zinc/34/69/51/982346951.db2.gz KGCHNHMNKKDLHE-ROUUACIJSA-N 2 1 413.484 3.558 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000437945626 982478165 /nfs/dbraw/zinc/47/81/65/982478165.db2.gz CWNDSESSVFBDOQ-HNNXBMFYSA-N 2 1 404.452 3.724 20 0 HHADMP COCC[N@@H+](C)CCCC1CCN(C(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)CC1 ZINC000438159166 982622278 /nfs/dbraw/zinc/62/22/78/982622278.db2.gz YAVZMBLHJSYYFR-HSZRJFAPSA-N 2 1 422.658 3.564 20 0 HHADMP COCC[NH+](C)CCCC1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000438159166 982622283 /nfs/dbraw/zinc/62/22/83/982622283.db2.gz YAVZMBLHJSYYFR-HSZRJFAPSA-N 2 1 422.658 3.564 20 0 HHADMP COCC[NH+](C)CCCC1CCN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000438159166 982622289 /nfs/dbraw/zinc/62/22/89/982622289.db2.gz YAVZMBLHJSYYFR-HSZRJFAPSA-N 2 1 422.658 3.564 20 0 HHADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461433716 983096807 /nfs/dbraw/zinc/09/68/07/983096807.db2.gz WSZVCXHZQRLTCJ-DSITVLBTSA-N 2 1 403.570 3.632 20 0 HHADMP O=C([C@@H]1CCC[NH+]1Cc1ccccc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461433716 983096813 /nfs/dbraw/zinc/09/68/13/983096813.db2.gz WSZVCXHZQRLTCJ-DSITVLBTSA-N 2 1 403.570 3.632 20 0 HHADMP O=C([C@@H]1CCC[NH+]1Cc1ccccc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461433716 983096818 /nfs/dbraw/zinc/09/68/18/983096818.db2.gz WSZVCXHZQRLTCJ-DSITVLBTSA-N 2 1 403.570 3.632 20 0 HHADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000461433721 983097055 /nfs/dbraw/zinc/09/70/55/983097055.db2.gz WSZVCXHZQRLTCJ-SDHSZQHLSA-N 2 1 403.570 3.632 20 0 HHADMP O=C([C@@H]1CCC[NH+]1Cc1ccccc1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461433721 983097060 /nfs/dbraw/zinc/09/70/60/983097060.db2.gz WSZVCXHZQRLTCJ-SDHSZQHLSA-N 2 1 403.570 3.632 20 0 HHADMP O=C([C@@H]1CCC[NH+]1Cc1ccccc1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461433721 983097062 /nfs/dbraw/zinc/09/70/62/983097062.db2.gz WSZVCXHZQRLTCJ-SDHSZQHLSA-N 2 1 403.570 3.632 20 0 HHADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000461443379 983108063 /nfs/dbraw/zinc/10/80/63/983108063.db2.gz ARPUYQCAOHWZDA-JIMJEQGWSA-N 2 1 417.597 3.879 20 0 HHADMP O=C([C@@H]1CCC[NH+](Cc2ccccc2)C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461443379 983108069 /nfs/dbraw/zinc/10/80/69/983108069.db2.gz ARPUYQCAOHWZDA-JIMJEQGWSA-N 2 1 417.597 3.879 20 0 HHADMP O=C([C@@H]1CCC[NH+](Cc2ccccc2)C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461443379 983108074 /nfs/dbraw/zinc/10/80/74/983108074.db2.gz ARPUYQCAOHWZDA-JIMJEQGWSA-N 2 1 417.597 3.879 20 0 HHADMP O=C(N1CC[C@@H](C[NH+]2CCCCC2)C1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000461446675 983111531 /nfs/dbraw/zinc/11/15/31/983111531.db2.gz LGWDIEQKFINQDK-RBBKRZOGSA-N 2 1 423.523 3.775 20 0 HHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000439083216 983242380 /nfs/dbraw/zinc/24/23/80/983242380.db2.gz GGNSQLMRSNNIFV-YADARESESA-N 2 1 424.589 3.683 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000439230501 983320536 /nfs/dbraw/zinc/32/05/36/983320536.db2.gz SAOLMVHWKIZKHE-ICSRJNTNSA-N 2 1 400.592 3.657 20 0 HHADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000439347368 983374773 /nfs/dbraw/zinc/37/47/73/983374773.db2.gz IFJPORSHXYCCQR-YADHBBJMSA-N 2 1 410.562 3.680 20 0 HHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000439347368 983374779 /nfs/dbraw/zinc/37/47/79/983374779.db2.gz IFJPORSHXYCCQR-YADHBBJMSA-N 2 1 410.562 3.680 20 0 HHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000439347368 983374786 /nfs/dbraw/zinc/37/47/86/983374786.db2.gz IFJPORSHXYCCQR-YADHBBJMSA-N 2 1 410.562 3.680 20 0 HHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000439347368 983374787 /nfs/dbraw/zinc/37/47/87/983374787.db2.gz IFJPORSHXYCCQR-YADHBBJMSA-N 2 1 410.562 3.680 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000439448455 983414179 /nfs/dbraw/zinc/41/41/79/983414179.db2.gz ZKPHOBPNPUZQJG-CTNGQTDRSA-N 2 1 414.619 3.874 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(=O)NCc1ccc(F)cc1 ZINC000439608819 983470007 /nfs/dbraw/zinc/47/00/07/983470007.db2.gz BTNZZXUFQBYKKG-SFHVURJKSA-N 2 1 409.505 3.845 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]1CCCC[NH+]1CC(C)C ZINC000440179515 983671606 /nfs/dbraw/zinc/67/16/06/983671606.db2.gz PCOJWPMVMYZISV-XZOQPEGZSA-N 2 1 415.626 3.588 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000440179515 983671610 /nfs/dbraw/zinc/67/16/10/983671610.db2.gz PCOJWPMVMYZISV-XZOQPEGZSA-N 2 1 415.626 3.588 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000440179515 983671612 /nfs/dbraw/zinc/67/16/12/983671612.db2.gz PCOJWPMVMYZISV-XZOQPEGZSA-N 2 1 415.626 3.588 20 0 HHADMP C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441072112 984055845 /nfs/dbraw/zinc/05/58/45/984055845.db2.gz SALUYFFGHPQJSN-HRFSGMKKSA-N 2 1 417.597 3.808 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000441249377 984137594 /nfs/dbraw/zinc/13/75/94/984137594.db2.gz YKXCWRHJEARMQR-FHLIZLRMSA-N 2 1 400.350 3.506 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000441270452 984150463 /nfs/dbraw/zinc/15/04/63/984150463.db2.gz UIPYMHSULWZRKJ-CKUXNOBLSA-N 2 1 423.557 3.991 20 0 HHADMP O=C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Br)cc1 ZINC000441400506 984232384 /nfs/dbraw/zinc/23/23/84/984232384.db2.gz GOOYCPBNMYLUOZ-DNVCBOLYSA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Br)cc1 ZINC000441400506 984232387 /nfs/dbraw/zinc/23/23/87/984232387.db2.gz GOOYCPBNMYLUOZ-DNVCBOLYSA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(Br)cc1 ZINC000441400506 984232389 /nfs/dbraw/zinc/23/23/89/984232389.db2.gz GOOYCPBNMYLUOZ-DNVCBOLYSA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(Br)cc1 ZINC000441400506 984232394 /nfs/dbraw/zinc/23/23/94/984232394.db2.gz GOOYCPBNMYLUOZ-DNVCBOLYSA-N 2 1 406.368 3.726 20 0 HHADMP C[N@@H+](C[C@@H](O)COCc1ccccc1Cl)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000441612788 984355707 /nfs/dbraw/zinc/35/57/07/984355707.db2.gz PCPMGQAPLUOHON-RBBKRZOGSA-N 2 1 402.966 3.671 20 0 HHADMP C[NH+](C[C@@H](O)COCc1ccccc1Cl)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000441612788 984355716 /nfs/dbraw/zinc/35/57/16/984355716.db2.gz PCPMGQAPLUOHON-RBBKRZOGSA-N 2 1 402.966 3.671 20 0 HHADMP C[NH+](C[C@@H](O)COCc1ccccc1Cl)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000441612788 984355720 /nfs/dbraw/zinc/35/57/20/984355720.db2.gz PCPMGQAPLUOHON-RBBKRZOGSA-N 2 1 402.966 3.671 20 0 HHADMP C[NH+](C)CC1CCC(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000441616488 984357680 /nfs/dbraw/zinc/35/76/80/984357680.db2.gz VTDDZVSSHQZJRM-GRERDSQWSA-N 2 1 411.512 3.678 20 0 HHADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccnc(-c4ccc(Br)cc4)n3)CC[C@@H]21 ZINC000441898053 984525015 /nfs/dbraw/zinc/52/50/15/984525015.db2.gz LYNLCMDUKIPLFA-LPHOPBHVSA-N 2 1 401.352 3.822 20 0 HHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccnc(-c4ccc(Br)cc4)n3)CC[C@@H]21 ZINC000441898053 984525020 /nfs/dbraw/zinc/52/50/20/984525020.db2.gz LYNLCMDUKIPLFA-LPHOPBHVSA-N 2 1 401.352 3.822 20 0 HHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccnc(-c4ccc(Br)cc4)n3)CC[C@@H]21 ZINC000441898053 984525024 /nfs/dbraw/zinc/52/50/24/984525024.db2.gz LYNLCMDUKIPLFA-LPHOPBHVSA-N 2 1 401.352 3.822 20 0 HHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccnc(-c4ccc(Br)cc4)n3)CC[C@@H]21 ZINC000441898053 984525028 /nfs/dbraw/zinc/52/50/28/984525028.db2.gz LYNLCMDUKIPLFA-LPHOPBHVSA-N 2 1 401.352 3.822 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2csc(C)n2)cc1 ZINC000442014674 984594853 /nfs/dbraw/zinc/59/48/53/984594853.db2.gz SZCLTDBIDAWPKF-HXUWFJFHSA-N 2 1 400.592 3.607 20 0 HHADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 ZINC000442044583 984608531 /nfs/dbraw/zinc/60/85/31/984608531.db2.gz BODHIHCVZXOCBH-INIZCTEOSA-N 2 1 421.655 3.784 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000442240902 984762070 /nfs/dbraw/zinc/76/20/70/984762070.db2.gz JAVDEKPFVKZHFZ-SDXIKQIGSA-N 2 1 400.611 3.801 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000461912207 984926850 /nfs/dbraw/zinc/92/68/50/984926850.db2.gz WHDPITPLKKLFEE-KDURUIRLSA-N 2 1 410.562 3.678 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000461912207 984926856 /nfs/dbraw/zinc/92/68/56/984926856.db2.gz WHDPITPLKKLFEE-KDURUIRLSA-N 2 1 410.562 3.678 20 0 HHADMP COCC[NH+]1CCC([NH2+]CC2(c3ccc(Cl)cc3Cl)CCOCC2)CC1 ZINC000462029590 985006344 /nfs/dbraw/zinc/00/63/44/985006344.db2.gz VFHUSFUTBOSDPQ-UHFFFAOYSA-N 2 1 401.378 3.742 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000462172405 985151047 /nfs/dbraw/zinc/15/10/47/985151047.db2.gz YYMFOPGMJHDITB-UWHHFBIGSA-N 2 1 421.585 3.546 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000462172405 985151052 /nfs/dbraw/zinc/15/10/52/985151052.db2.gz YYMFOPGMJHDITB-UWHHFBIGSA-N 2 1 421.585 3.546 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000462251395 985235204 /nfs/dbraw/zinc/23/52/04/985235204.db2.gz AZXIXMJHMMWGLP-XXBNENTESA-N 2 1 424.614 3.877 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000462251395 985235218 /nfs/dbraw/zinc/23/52/18/985235218.db2.gz AZXIXMJHMMWGLP-XXBNENTESA-N 2 1 424.614 3.877 20 0 HHADMP CCC[N@H+](C)[C@@H](CNC(=O)c1cc(C[NH+]2CCCC2)on1)c1ccc(Cl)cc1 ZINC000462445267 985410677 /nfs/dbraw/zinc/41/06/77/985410677.db2.gz BZNSAKWQFDCTNK-FQEVSTJZSA-N 2 1 404.942 3.737 20 0 HHADMP CCC[N@@H+](C)[C@@H](CNC(=O)c1cc(C[NH+]2CCCC2)on1)c1ccc(Cl)cc1 ZINC000462445267 985410681 /nfs/dbraw/zinc/41/06/81/985410681.db2.gz BZNSAKWQFDCTNK-FQEVSTJZSA-N 2 1 404.942 3.737 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000462532003 985480525 /nfs/dbraw/zinc/48/05/25/985480525.db2.gz XZPJQMQMJKICHY-HYBUGGRVSA-N 2 1 406.574 3.602 20 0 HHADMP Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000467923962 985556921 /nfs/dbraw/zinc/55/69/21/985556921.db2.gz DTSDRGBQQAUVDE-OAQYLSRUSA-N 2 1 410.562 3.579 20 0 HHADMP CC(=O)N1CC[NH+](CCOc2ccc(CC[NH2+][C@@H]3C[C@H](C)CC(C)(C)C3)cc2)CC1 ZINC000462775591 985711521 /nfs/dbraw/zinc/71/15/21/985711521.db2.gz QIUILRQXJGIGPX-NZQKXSOJSA-N 2 1 415.622 3.576 20 0 HHADMP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000468060799 985719080 /nfs/dbraw/zinc/71/90/80/985719080.db2.gz SRIXPSLLVNFFJJ-DNVJHFABSA-N 2 1 409.574 3.988 20 0 HHADMP C[C@@H](C[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1)CN1CCN(C)CC1 ZINC000462816827 985743650 /nfs/dbraw/zinc/74/36/50/985743650.db2.gz MFZZDIVNYMKROE-WIOPSUGQSA-N 2 1 418.645 3.852 20 0 HHADMP C[C@@H](C[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1)CN1CCN(C)CC1 ZINC000462816824 985743808 /nfs/dbraw/zinc/74/38/08/985743808.db2.gz MFZZDIVNYMKROE-DHLKQENFSA-N 2 1 418.645 3.852 20 0 HHADMP COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c(OC)c1 ZINC000443602324 985778990 /nfs/dbraw/zinc/77/89/90/985778990.db2.gz IQZIQEOLIXIJMA-GOSISDBHSA-N 2 1 403.567 3.619 20 0 HHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3coc(-c4c(F)cccc4F)n3)CC2)C[C@H](C)O1 ZINC000443624563 985802154 /nfs/dbraw/zinc/80/21/54/985802154.db2.gz NKZQLGPAJZMLED-HOTGVXAUSA-N 2 1 405.489 3.941 20 0 HHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000443635395 985817162 /nfs/dbraw/zinc/81/71/62/985817162.db2.gz YCWJHWSSSYWQHN-URXFXBBRSA-N 2 1 414.638 3.703 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)Cn3cccn3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463073852 986030412 /nfs/dbraw/zinc/03/04/12/986030412.db2.gz ZKHRZQBZJMLVNP-NFBKMPQASA-N 2 1 417.557 3.665 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)Cn3cccn3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463073852 986030422 /nfs/dbraw/zinc/03/04/22/986030422.db2.gz ZKHRZQBZJMLVNP-NFBKMPQASA-N 2 1 417.557 3.665 20 0 HHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)Cn3cccn3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463073853 986030550 /nfs/dbraw/zinc/03/05/50/986030550.db2.gz ZKHRZQBZJMLVNP-NZQKXSOJSA-N 2 1 417.557 3.665 20 0 HHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)Cn3cccn3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463073853 986030555 /nfs/dbraw/zinc/03/05/55/986030555.db2.gz ZKHRZQBZJMLVNP-NZQKXSOJSA-N 2 1 417.557 3.665 20 0 HHADMP c1ccc(CC[NH+]2CCC([NH2+]CCCC[NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000463076311 986033147 /nfs/dbraw/zinc/03/31/47/986033147.db2.gz WQTSRJQMHHHNJI-UHFFFAOYSA-N 3 1 420.645 3.886 20 0 HHADMP COc1cc([C@H](C)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)ccc1OCCO ZINC000463077519 986034901 /nfs/dbraw/zinc/03/49/01/986034901.db2.gz JFTFMZBYOMMBQR-SFHVURJKSA-N 2 1 416.537 3.563 20 0 HHADMP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)COc1ccc(C(F)(F)F)cc1 ZINC000463083808 986040848 /nfs/dbraw/zinc/04/08/48/986040848.db2.gz MDPMXWUXPHDSJY-NRFANRHFSA-N 2 1 422.491 3.742 20 0 HHADMP COCC[N@H+](C)CC[C@H]([NH2+]C1CCN(c2nc(C)cs2)CC1)c1ccccc1 ZINC000463112991 986075486 /nfs/dbraw/zinc/07/54/86/986075486.db2.gz XJJCCAIIHLKKGU-NRFANRHFSA-N 2 1 402.608 3.720 20 0 HHADMP COCC[N@@H+](C)CC[C@H]([NH2+]C1CCN(c2nc(C)cs2)CC1)c1ccccc1 ZINC000463112991 986075498 /nfs/dbraw/zinc/07/54/98/986075498.db2.gz XJJCCAIIHLKKGU-NRFANRHFSA-N 2 1 402.608 3.720 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cccc(CN4CC[NH+](C)CC4)c3)cc2)C1 ZINC000468377804 986077273 /nfs/dbraw/zinc/07/72/73/986077273.db2.gz REGLJMGWHIBMDJ-NRFANRHFSA-N 2 1 420.601 3.918 20 0 HHADMP COc1cc2c(cc1OC)CN(CC[NH2+][C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC000463115168 986078153 /nfs/dbraw/zinc/07/81/53/986078153.db2.gz KKKCSNDYGXHOKD-GBXCKJPGSA-N 2 1 423.601 3.705 20 0 HHADMP COc1cc2c(cc1OC)CN(CC[NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC000463115168 986078167 /nfs/dbraw/zinc/07/81/67/986078167.db2.gz KKKCSNDYGXHOKD-GBXCKJPGSA-N 2 1 423.601 3.705 20 0 HHADMP O=C(c1ccccc1)N1CCC(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000463133354 986099823 /nfs/dbraw/zinc/09/98/23/986099823.db2.gz XMZUCXNVIPOPMJ-UHFFFAOYSA-N 2 1 423.576 3.975 20 0 HHADMP O=C(CCc1ccccc1)N1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000463207988 986179250 /nfs/dbraw/zinc/17/92/50/986179250.db2.gz VBXUZHZKHSFZRK-RUZDIDTESA-N 2 1 405.586 3.517 20 0 HHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463250083 986218482 /nfs/dbraw/zinc/21/84/82/986218482.db2.gz YYFIWXTWYPOGCX-QFBILLFUSA-N 2 1 406.979 3.886 20 0 HHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000463250083 986218492 /nfs/dbraw/zinc/21/84/92/986218492.db2.gz YYFIWXTWYPOGCX-QFBILLFUSA-N 2 1 406.979 3.886 20 0 HHADMP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000444035235 986232470 /nfs/dbraw/zinc/23/24/70/986232470.db2.gz JCNBBZQLUPMVQO-HKUYNNGSSA-N 2 1 422.017 3.818 20 0 HHADMP Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463270702 986237700 /nfs/dbraw/zinc/23/77/00/986237700.db2.gz YZDMGQFWHAHGIU-WIQPIVSASA-N 2 1 414.569 3.847 20 0 HHADMP Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463270702 986237706 /nfs/dbraw/zinc/23/77/06/986237706.db2.gz YZDMGQFWHAHGIU-WIQPIVSASA-N 2 1 414.569 3.847 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000463272487 986239936 /nfs/dbraw/zinc/23/99/36/986239936.db2.gz QNKIEUYDNREWLR-SQJMNOBHSA-N 2 1 420.601 3.813 20 0 HHADMP C[C@H]1CN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cn2)C[C@H](C)O1 ZINC000463278876 986246004 /nfs/dbraw/zinc/24/60/04/986246004.db2.gz DNEKXTNSPGJANG-IIYFGFMDSA-N 2 1 420.601 3.980 20 0 HHADMP C[C@H]1CN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cn2)C[C@H](C)O1 ZINC000463278876 986246018 /nfs/dbraw/zinc/24/60/18/986246018.db2.gz DNEKXTNSPGJANG-IIYFGFMDSA-N 2 1 420.601 3.980 20 0 HHADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000468796639 986506256 /nfs/dbraw/zinc/50/62/56/986506256.db2.gz CKBHPKGQPGZOOV-MZKRTTBSSA-N 2 1 409.574 3.833 20 0 HHADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000468796639 986506262 /nfs/dbraw/zinc/50/62/62/986506262.db2.gz CKBHPKGQPGZOOV-MZKRTTBSSA-N 2 1 409.574 3.833 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000444591273 986777879 /nfs/dbraw/zinc/77/78/79/986777879.db2.gz NCOXGIATOQHDQQ-AOMKIAJQSA-N 2 1 409.509 3.983 20 0 HHADMP O=C(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000444604133 986790852 /nfs/dbraw/zinc/79/08/52/986790852.db2.gz ZWZROUKWMIXLAX-CLJLJLNGSA-N 2 1 417.597 3.948 20 0 HHADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000444604133 986790868 /nfs/dbraw/zinc/79/08/68/986790868.db2.gz ZWZROUKWMIXLAX-CLJLJLNGSA-N 2 1 417.597 3.948 20 0 HHADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000444604133 986790881 /nfs/dbraw/zinc/79/08/81/986790881.db2.gz ZWZROUKWMIXLAX-CLJLJLNGSA-N 2 1 417.597 3.948 20 0 HHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000469206449 986929743 /nfs/dbraw/zinc/92/97/43/986929743.db2.gz WQCFKQUSBKUMNH-JOCHJYFZSA-N 2 1 407.549 3.900 20 0 HHADMP O=C1[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCCN1Cc1ccc(F)cc1F ZINC000469211735 986934304 /nfs/dbraw/zinc/93/43/04/986934304.db2.gz HRPJSGNCZVBOKG-JOCHJYFZSA-N 2 1 405.533 3.843 20 0 HHADMP CCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000469485709 987166606 /nfs/dbraw/zinc/16/66/06/987166606.db2.gz JZUWHXJCCNEPIK-IBGZPJMESA-N 2 1 401.599 3.565 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000469534441 987208649 /nfs/dbraw/zinc/20/86/49/987208649.db2.gz AGCJMVWQJPMZGA-YADHBBJMSA-N 2 1 419.560 3.690 20 0 HHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000469567347 987236053 /nfs/dbraw/zinc/23/60/53/987236053.db2.gz RGGJNHXSJDDKDE-DEOSSOPVSA-N 2 1 423.605 3.754 20 0 HHADMP O=C(c1cnn(-c2cc[nH+]cc2)c1C(F)F)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000469696375 987353605 /nfs/dbraw/zinc/35/36/05/987353605.db2.gz UHPWLBJTMNSRLR-UHFFFAOYSA-N 2 1 417.504 3.933 20 0 HHADMP CC[C@@H](C[N@H+](C)CC(=O)NC1CC[NH+](CC)CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000469749095 987400336 /nfs/dbraw/zinc/40/03/36/987400336.db2.gz RFSJOMUOIPTGSQ-INIZCTEOSA-N 2 1 416.393 3.683 20 0 HHADMP CC[C@@H](C[N@@H+](C)CC(=O)NC1CC[NH+](CC)CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000469749095 987400338 /nfs/dbraw/zinc/40/03/38/987400338.db2.gz RFSJOMUOIPTGSQ-INIZCTEOSA-N 2 1 416.393 3.683 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000469756851 987409841 /nfs/dbraw/zinc/40/98/41/987409841.db2.gz IUMAZLIRSRNMIS-RTBURBONSA-N 2 1 423.557 3.533 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000469791559 987436196 /nfs/dbraw/zinc/43/61/96/987436196.db2.gz PSDPOYLFPMSDFL-OOSNJVJTSA-N 2 1 410.002 3.632 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000469791559 987436200 /nfs/dbraw/zinc/43/62/00/987436200.db2.gz PSDPOYLFPMSDFL-OOSNJVJTSA-N 2 1 410.002 3.632 20 0 HHADMP C[NH+](C)CC1CC[NH+](Cc2cc(Br)cc(Br)c2N)CC1 ZINC000469895824 987531937 /nfs/dbraw/zinc/53/19/37/987531937.db2.gz DCISCMRQFUPAAJ-UHFFFAOYSA-N 2 1 405.178 3.567 20 0 HHADMP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000469979883 987597010 /nfs/dbraw/zinc/59/70/10/987597010.db2.gz BHQAXCPWUMEHHR-RUZDIDTESA-N 2 1 421.585 3.832 20 0 HHADMP O=C(C[NH2+][C@H](c1cccnc1)C1CC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000445769085 987831399 /nfs/dbraw/zinc/83/13/99/987831399.db2.gz SZFHCAKUFPYSAF-GMAHTHKFSA-N 2 1 412.965 3.729 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)c1)C1CCOCC1 ZINC000464062957 988184971 /nfs/dbraw/zinc/18/49/71/988184971.db2.gz SKSKFGZXKVALQL-XPWALMASSA-N 2 1 416.606 3.861 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1cccc(OCCF)c1 ZINC000470292204 988250543 /nfs/dbraw/zinc/25/05/43/988250543.db2.gz IYMBGNKDOFFDMN-UHFFFAOYSA-N 2 1 420.573 3.695 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000470497642 988491046 /nfs/dbraw/zinc/49/10/46/988491046.db2.gz QPCUCFIMCKMIIO-HYBUGGRVSA-N 2 1 423.605 3.867 20 0 HHADMP C[C@H](CNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000470729916 988760183 /nfs/dbraw/zinc/76/01/83/988760183.db2.gz MOPQXDJQIWHZPT-BWKNWUBXSA-N 2 1 420.601 3.739 20 0 HHADMP C[C@H](CNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000470729916 988760190 /nfs/dbraw/zinc/76/01/90/988760190.db2.gz MOPQXDJQIWHZPT-BWKNWUBXSA-N 2 1 420.601 3.739 20 0 HHADMP C[C@H](CNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000470729916 988760200 /nfs/dbraw/zinc/76/02/00/988760200.db2.gz MOPQXDJQIWHZPT-BWKNWUBXSA-N 2 1 420.601 3.739 20 0 HHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000470738472 988774630 /nfs/dbraw/zinc/77/46/30/988774630.db2.gz UQOHPESREWGJKE-DENIHFKCSA-N 2 1 419.013 3.850 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H](C[NH+](C)CC4CC4)C3)cc2)C1 ZINC000470738018 988775267 /nfs/dbraw/zinc/77/52/67/988775267.db2.gz RTUPOORHIKECDX-RDPSFJRHSA-N 2 1 412.622 3.792 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CC[C@@H](C[N@H+](C)CC4CC4)C3)cc2)C1 ZINC000470738018 988775282 /nfs/dbraw/zinc/77/52/82/988775282.db2.gz RTUPOORHIKECDX-RDPSFJRHSA-N 2 1 412.622 3.792 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CC[C@@H](C[N@@H+](C)CC4CC4)C3)cc2)C1 ZINC000470738018 988775301 /nfs/dbraw/zinc/77/53/01/988775301.db2.gz RTUPOORHIKECDX-RDPSFJRHSA-N 2 1 412.622 3.792 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000470742151 988781189 /nfs/dbraw/zinc/78/11/89/988781189.db2.gz GHOPWALDSVPSOI-QHCPKHFHSA-N 2 1 400.611 3.805 20 0 HHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000470891236 988963871 /nfs/dbraw/zinc/96/38/71/988963871.db2.gz YTCBKFPRVCWMNX-ZJOUEHCJSA-N 2 1 404.624 3.504 20 0 HHADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000470891236 988963875 /nfs/dbraw/zinc/96/38/75/988963875.db2.gz YTCBKFPRVCWMNX-ZJOUEHCJSA-N 2 1 404.624 3.504 20 0 HHADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000470891236 988963879 /nfs/dbraw/zinc/96/38/79/988963879.db2.gz YTCBKFPRVCWMNX-ZJOUEHCJSA-N 2 1 404.624 3.504 20 0 HHADMP C[C@@H](CNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000470900626 988975565 /nfs/dbraw/zinc/97/55/65/988975565.db2.gz QUOPFMZWXSBENT-XUZZJYLKSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@@H](CNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000470900626 988975572 /nfs/dbraw/zinc/97/55/72/988975572.db2.gz QUOPFMZWXSBENT-XUZZJYLKSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@@H](CNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000470900626 988975579 /nfs/dbraw/zinc/97/55/79/988975579.db2.gz QUOPFMZWXSBENT-XUZZJYLKSA-N 2 1 408.590 3.813 20 0 HHADMP CCS[C@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000464772579 988997179 /nfs/dbraw/zinc/99/71/79/988997179.db2.gz HUGTZBWGKGENMU-PMACEKPBSA-N 2 1 407.649 3.780 20 0 HHADMP C[C@@H]1CCc2c(sc3nc(CC[N@@H+]4CC[C@H](C[NH+](C)CC5CC5)C4)nc(N)c23)C1 ZINC000470963180 989027767 /nfs/dbraw/zinc/02/77/67/989027767.db2.gz ZGCMTVNZRKIPHZ-NVXWUHKLSA-N 2 1 413.635 3.605 20 0 HHADMP C[C@@H]1CCc2c(sc3nc(CC[N@H+]4CC[C@H](C[NH+](C)CC5CC5)C4)nc(N)c23)C1 ZINC000470963180 989027777 /nfs/dbraw/zinc/02/77/77/989027777.db2.gz ZGCMTVNZRKIPHZ-NVXWUHKLSA-N 2 1 413.635 3.605 20 0 HHADMP C[C@@H]1CCc2c(sc3nc(CC[NH+]4CC[C@H](C[N@H+](C)CC5CC5)C4)nc(N)c23)C1 ZINC000470963180 989027790 /nfs/dbraw/zinc/02/77/90/989027790.db2.gz ZGCMTVNZRKIPHZ-NVXWUHKLSA-N 2 1 413.635 3.605 20 0 HHADMP C[C@@H]1CCc2c(sc3nc(CC[NH+]4CC[C@H](C[N@@H+](C)CC5CC5)C4)nc(N)c23)C1 ZINC000470963180 989027794 /nfs/dbraw/zinc/02/77/94/989027794.db2.gz ZGCMTVNZRKIPHZ-NVXWUHKLSA-N 2 1 413.635 3.605 20 0 HHADMP COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1Cl ZINC000471019917 989091371 /nfs/dbraw/zinc/09/13/71/989091371.db2.gz DJZBLGYWIPNSFC-KDURUIRLSA-N 2 1 413.949 3.741 20 0 HHADMP COc1ccc(NC(=O)CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1Cl ZINC000471019917 989091376 /nfs/dbraw/zinc/09/13/76/989091376.db2.gz DJZBLGYWIPNSFC-KDURUIRLSA-N 2 1 413.949 3.741 20 0 HHADMP COc1ccc(NC(=O)CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1Cl ZINC000471019917 989091387 /nfs/dbraw/zinc/09/13/87/989091387.db2.gz DJZBLGYWIPNSFC-KDURUIRLSA-N 2 1 413.949 3.741 20 0 HHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000471042249 989119423 /nfs/dbraw/zinc/11/94/23/989119423.db2.gz HKSHJKGDZVEAOV-GOEBONIOSA-N 2 1 419.791 3.506 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000471042249 989119425 /nfs/dbraw/zinc/11/94/25/989119425.db2.gz HKSHJKGDZVEAOV-GOEBONIOSA-N 2 1 419.791 3.506 20 0 HHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000471042249 989119433 /nfs/dbraw/zinc/11/94/33/989119433.db2.gz HKSHJKGDZVEAOV-GOEBONIOSA-N 2 1 419.791 3.506 20 0 HHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000471042249 989119436 /nfs/dbraw/zinc/11/94/36/989119436.db2.gz HKSHJKGDZVEAOV-GOEBONIOSA-N 2 1 419.791 3.506 20 0 HHADMP c1c[nH]c([C@@H]2CCC[NH+](Cc3ccc(C[N@H+]4CCC[C@@H](c5ncc[nH]5)C4)cc3)C2)n1 ZINC000471178860 989308853 /nfs/dbraw/zinc/30/88/53/989308853.db2.gz PSDWFNIPYXXYMX-FGZHOGPDSA-N 2 1 404.562 3.892 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000465018047 989337106 /nfs/dbraw/zinc/33/71/06/989337106.db2.gz ZAECHPBYZIEAFM-WIYYLYMNSA-N 2 1 407.002 3.754 20 0 HHADMP C[C@H](C(=O)Nc1ccc(OCC[NH+]2CC[C@H](C)C2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000465180525 989514807 /nfs/dbraw/zinc/51/48/07/989514807.db2.gz ADZUFLZTMHKGDU-VQTJNVASSA-N 2 1 407.558 3.793 20 0 HHADMP C[C@H](C(=O)Nc1ccc(OCC[NH+]2CC[C@H](C)C2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000465180525 989514810 /nfs/dbraw/zinc/51/48/10/989514810.db2.gz ADZUFLZTMHKGDU-VQTJNVASSA-N 2 1 407.558 3.793 20 0 HHADMP C[C@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1)[NH+]1CCc2ccccc2C1 ZINC000465180525 989514817 /nfs/dbraw/zinc/51/48/17/989514817.db2.gz ADZUFLZTMHKGDU-VQTJNVASSA-N 2 1 407.558 3.793 20 0 HHADMP C[C@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1)[NH+]1CCc2ccccc2C1 ZINC000465180525 989514823 /nfs/dbraw/zinc/51/48/23/989514823.db2.gz ADZUFLZTMHKGDU-VQTJNVASSA-N 2 1 407.558 3.793 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000465211043 989560217 /nfs/dbraw/zinc/56/02/17/989560217.db2.gz OAUIXOURIFTMTH-CTNGQTDRSA-N 2 1 411.512 3.535 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465211043 989560219 /nfs/dbraw/zinc/56/02/19/989560219.db2.gz OAUIXOURIFTMTH-CTNGQTDRSA-N 2 1 411.512 3.535 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465211043 989560223 /nfs/dbraw/zinc/56/02/23/989560223.db2.gz OAUIXOURIFTMTH-CTNGQTDRSA-N 2 1 411.512 3.535 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471496055 989693940 /nfs/dbraw/zinc/69/39/40/989693940.db2.gz KONGDWHMWJCOOW-ISKFKSNPSA-N 2 1 406.574 3.645 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000465354714 989703844 /nfs/dbraw/zinc/70/38/44/989703844.db2.gz CNZMESKGFXAXTE-UHFFFAOYSA-N 2 1 401.595 3.636 20 0 HHADMP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471509105 989707410 /nfs/dbraw/zinc/70/74/10/989707410.db2.gz ZBFKXVUNPNFPNA-SFTDATJTSA-N 2 1 412.603 3.706 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)[NH+](C)C ZINC000465429226 989773296 /nfs/dbraw/zinc/77/32/96/989773296.db2.gz FNEWKMHUSCLJMM-NZQKXSOJSA-N 2 1 424.589 3.604 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+](C)C ZINC000465429226 989773300 /nfs/dbraw/zinc/77/33/00/989773300.db2.gz FNEWKMHUSCLJMM-NZQKXSOJSA-N 2 1 424.589 3.604 20 0 HHADMP CC1CC[NH+]([C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c2cccs2)CC1 ZINC000465433169 989779625 /nfs/dbraw/zinc/77/96/25/989779625.db2.gz MMPJQOSJAHKPDJ-RAFMOHDBSA-N 2 1 404.624 3.836 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000471619971 989825176 /nfs/dbraw/zinc/82/51/76/989825176.db2.gz QVBMXXUDPBLBJF-PLQXJYEYSA-N 2 1 420.601 3.800 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471619971 989825183 /nfs/dbraw/zinc/82/51/83/989825183.db2.gz QVBMXXUDPBLBJF-PLQXJYEYSA-N 2 1 420.601 3.800 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471619971 989825188 /nfs/dbraw/zinc/82/51/88/989825188.db2.gz QVBMXXUDPBLBJF-PLQXJYEYSA-N 2 1 420.601 3.800 20 0 HHADMP CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000465519168 989871434 /nfs/dbraw/zinc/87/14/34/989871434.db2.gz GAZXOGIOPQNTAQ-MZKRTTBSSA-N 2 1 400.611 3.790 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000465524804 989880736 /nfs/dbraw/zinc/88/07/36/989880736.db2.gz DGKPYSQZSGIPED-NOZRDPDXSA-N 2 1 420.601 3.987 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N(C)[C@@H]3CC[NH+](C)[C@H](C)C3)cc2)C1 ZINC000465530050 989889905 /nfs/dbraw/zinc/88/99/05/989889905.db2.gz YITVVNSSZFLXNV-VLVHOKLOSA-N 2 1 400.611 3.789 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)C1 ZINC000465530050 989889913 /nfs/dbraw/zinc/88/99/13/989889913.db2.gz YITVVNSSZFLXNV-VLVHOKLOSA-N 2 1 400.611 3.789 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)C1 ZINC000465530050 989889921 /nfs/dbraw/zinc/88/99/21/989889921.db2.gz YITVVNSSZFLXNV-VLVHOKLOSA-N 2 1 400.611 3.789 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1)Cc1ccccc1 ZINC000465540947 989903549 /nfs/dbraw/zinc/90/35/49/989903549.db2.gz KCQDGFHGGGRKLF-HSZRJFAPSA-N 2 1 423.605 3.611 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)C1 ZINC000465551989 989915197 /nfs/dbraw/zinc/91/51/97/989915197.db2.gz ABDQGQOGLHMZHG-OFNKIYASSA-N 2 1 400.611 3.934 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1 ZINC000465551989 989915201 /nfs/dbraw/zinc/91/52/01/989915201.db2.gz ABDQGQOGLHMZHG-OFNKIYASSA-N 2 1 400.611 3.934 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000465551989 989915204 /nfs/dbraw/zinc/91/52/04/989915204.db2.gz ABDQGQOGLHMZHG-OFNKIYASSA-N 2 1 400.611 3.934 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)C1 ZINC000465558320 989923313 /nfs/dbraw/zinc/92/33/13/989923313.db2.gz OPQYAIVNLCCZQU-NHCUHLMSSA-N 2 1 400.611 3.792 20 0 HHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000465558320 989923322 /nfs/dbraw/zinc/92/33/22/989923322.db2.gz OPQYAIVNLCCZQU-NHCUHLMSSA-N 2 1 400.611 3.792 20 0 HHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000465558320 989923334 /nfs/dbraw/zinc/92/33/34/989923334.db2.gz OPQYAIVNLCCZQU-NHCUHLMSSA-N 2 1 400.611 3.792 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000471729381 989924886 /nfs/dbraw/zinc/92/48/86/989924886.db2.gz UQVJCABBBOOADP-SFLYRZDNSA-N 2 1 406.574 3.643 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000471729381 989924891 /nfs/dbraw/zinc/92/48/91/989924891.db2.gz UQVJCABBBOOADP-SFLYRZDNSA-N 2 1 406.574 3.643 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000471729381 989924894 /nfs/dbraw/zinc/92/48/94/989924894.db2.gz UQVJCABBBOOADP-SFLYRZDNSA-N 2 1 406.574 3.643 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000465569425 989937431 /nfs/dbraw/zinc/93/74/31/989937431.db2.gz MXJJMQVGBSEWQE-JOCHJYFZSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000465589814 989967193 /nfs/dbraw/zinc/96/71/93/989967193.db2.gz DLUPVXMHXNQRNZ-VXKWHMMOSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@H]1CCC[NH+](CCCCNC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000465589814 989967201 /nfs/dbraw/zinc/96/72/01/989967201.db2.gz DLUPVXMHXNQRNZ-VXKWHMMOSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@H]1CCC[NH+](CCCCNC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000465589814 989967206 /nfs/dbraw/zinc/96/72/06/989967206.db2.gz DLUPVXMHXNQRNZ-VXKWHMMOSA-N 2 1 400.611 3.805 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000465615431 990001942 /nfs/dbraw/zinc/00/19/42/990001942.db2.gz KMKQWMBEIKQLEG-HSZRJFAPSA-N 2 1 400.611 3.662 20 0 HHADMP C[N@@H+](CCCNC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1)Cc1ccccc1 ZINC000465617853 990004070 /nfs/dbraw/zinc/00/40/70/990004070.db2.gz DPLUOXJESIUMTF-RBBKRZOGSA-N 2 1 414.619 3.952 20 0 HHADMP C[NH+](CCCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)Cc1ccccc1 ZINC000465617853 990004077 /nfs/dbraw/zinc/00/40/77/990004077.db2.gz DPLUOXJESIUMTF-RBBKRZOGSA-N 2 1 414.619 3.952 20 0 HHADMP C[NH+](CCCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)Cc1ccccc1 ZINC000465617853 990004083 /nfs/dbraw/zinc/00/40/83/990004083.db2.gz DPLUOXJESIUMTF-RBBKRZOGSA-N 2 1 414.619 3.952 20 0 HHADMP C[C@@H](CNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1CCc2ccccc2C1 ZINC000465691079 990077113 /nfs/dbraw/zinc/07/71/13/990077113.db2.gz JBYIQDSEVOCEAQ-YADHBBJMSA-N 2 1 420.601 3.739 20 0 HHADMP C[C@@H](CNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000465691079 990077122 /nfs/dbraw/zinc/07/71/22/990077122.db2.gz JBYIQDSEVOCEAQ-YADHBBJMSA-N 2 1 420.601 3.739 20 0 HHADMP C[C@@H](CNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000465691079 990077137 /nfs/dbraw/zinc/07/71/37/990077137.db2.gz JBYIQDSEVOCEAQ-YADHBBJMSA-N 2 1 420.601 3.739 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)C1 ZINC000465695378 990081580 /nfs/dbraw/zinc/08/15/80/990081580.db2.gz SCDACMSVAAFIER-IFMALSPDSA-N 2 1 416.610 3.596 20 0 HHADMP CC[C@@H](OC1CCCCC1)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000471927208 990093077 /nfs/dbraw/zinc/09/30/77/990093077.db2.gz ALWFBIZHBCABNS-HSZRJFAPSA-N 2 1 407.643 3.769 20 0 HHADMP CC1CC[NH+]([C@@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c2ccccc2)CC1 ZINC000465711158 990096916 /nfs/dbraw/zinc/09/69/16/990096916.db2.gz GQLACGJOHPVKSC-GOTSBHOMSA-N 2 1 400.611 3.975 20 0 HHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000465745157 990129992 /nfs/dbraw/zinc/12/99/92/990129992.db2.gz QMGAOISIARCUKH-NJYSJTHYSA-N 2 1 406.640 3.797 20 0 HHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000465745157 990129999 /nfs/dbraw/zinc/12/99/99/990129999.db2.gz QMGAOISIARCUKH-NJYSJTHYSA-N 2 1 406.640 3.797 20 0 HHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000465745157 990130004 /nfs/dbraw/zinc/13/00/04/990130004.db2.gz QMGAOISIARCUKH-NJYSJTHYSA-N 2 1 406.640 3.797 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472001178 990169287 /nfs/dbraw/zinc/16/92/87/990169287.db2.gz GIXPNVVXDDWLLA-IEZKXTBUSA-N 2 1 420.601 3.718 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472001178 990169291 /nfs/dbraw/zinc/16/92/91/990169291.db2.gz GIXPNVVXDDWLLA-IEZKXTBUSA-N 2 1 420.601 3.718 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472001178 990169293 /nfs/dbraw/zinc/16/92/93/990169293.db2.gz GIXPNVVXDDWLLA-IEZKXTBUSA-N 2 1 420.601 3.718 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)N(CC)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000465787921 990169417 /nfs/dbraw/zinc/16/94/17/990169417.db2.gz UTLMKKMNOLIKNB-QHCPKHFHSA-N 2 1 400.611 3.662 20 0 HHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000465819663 990203092 /nfs/dbraw/zinc/20/30/92/990203092.db2.gz VYJHOUUMZBUEGQ-WOJBJXKFSA-N 2 1 404.624 3.524 20 0 HHADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000465819663 990203094 /nfs/dbraw/zinc/20/30/94/990203094.db2.gz VYJHOUUMZBUEGQ-WOJBJXKFSA-N 2 1 404.624 3.524 20 0 HHADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465819663 990203098 /nfs/dbraw/zinc/20/30/98/990203098.db2.gz VYJHOUUMZBUEGQ-WOJBJXKFSA-N 2 1 404.624 3.524 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000465859638 990970740 /nfs/dbraw/zinc/97/07/40/990970740.db2.gz BQSIZVVSAWYRHD-QPPBQGQZSA-N 2 1 414.638 3.845 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCCC[NH+]2Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000465869168 990982257 /nfs/dbraw/zinc/98/22/57/990982257.db2.gz HEMHACMSKBVIKB-JRGCBEDISA-N 2 1 407.002 3.819 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCCC[NH+]2Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000465869168 990982259 /nfs/dbraw/zinc/98/22/59/990982259.db2.gz HEMHACMSKBVIKB-JRGCBEDISA-N 2 1 407.002 3.819 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC[NH+]1C ZINC000465869168 990982272 /nfs/dbraw/zinc/98/22/72/990982272.db2.gz HEMHACMSKBVIKB-JRGCBEDISA-N 2 1 407.002 3.819 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC[NH+]1C ZINC000465869168 990982283 /nfs/dbraw/zinc/98/22/83/990982283.db2.gz HEMHACMSKBVIKB-JRGCBEDISA-N 2 1 407.002 3.819 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000465890880 991016046 /nfs/dbraw/zinc/01/60/46/991016046.db2.gz AMTKZLZFRSRCAG-GOTSBHOMSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000465890880 991016052 /nfs/dbraw/zinc/01/60/52/991016052.db2.gz AMTKZLZFRSRCAG-GOTSBHOMSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000465890880 991016056 /nfs/dbraw/zinc/01/60/56/991016056.db2.gz AMTKZLZFRSRCAG-GOTSBHOMSA-N 2 1 400.611 3.660 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000465913132 991044263 /nfs/dbraw/zinc/04/42/63/991044263.db2.gz ULVKTNLAQAZLAN-UHFFFAOYSA-N 2 1 417.985 3.837 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)NC3CC[NH+]([C@H](C)c4ccccc4)CC3)CC2)[nH+]c1 ZINC000465956003 991096844 /nfs/dbraw/zinc/09/68/44/991096844.db2.gz NWZDEPQMYSPYHY-HXUWFJFHSA-N 2 1 421.589 3.884 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000466019587 991187913 /nfs/dbraw/zinc/18/79/13/991187913.db2.gz WEBVVMPMYVOKOJ-UHFFFAOYSA-N 2 1 410.562 3.681 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000466019587 991187917 /nfs/dbraw/zinc/18/79/17/991187917.db2.gz WEBVVMPMYVOKOJ-UHFFFAOYSA-N 2 1 410.562 3.681 20 0 HHADMP C[NH+]1CCC[C@@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)[C@@H]1c1cccs1 ZINC000466079656 991255670 /nfs/dbraw/zinc/25/56/70/991255670.db2.gz PJFDWVHBZZTDRG-JAXLGGSGSA-N 2 1 412.603 3.829 20 0 HHADMP C[NH+]1CCC[C@@H](CNC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)[C@@H]1c1cccs1 ZINC000466079656 991255682 /nfs/dbraw/zinc/25/56/82/991255682.db2.gz PJFDWVHBZZTDRG-JAXLGGSGSA-N 2 1 412.603 3.829 20 0 HHADMP C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)[C@H](c2ccccc2)C1 ZINC000466079656 991255692 /nfs/dbraw/zinc/25/56/92/991255692.db2.gz PJFDWVHBZZTDRG-JAXLGGSGSA-N 2 1 412.603 3.829 20 0 HHADMP C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[C@H](c2ccccc2)C1 ZINC000466079656 991255698 /nfs/dbraw/zinc/25/56/98/991255698.db2.gz PJFDWVHBZZTDRG-JAXLGGSGSA-N 2 1 412.603 3.829 20 0 HHADMP C[NH+]1CCC[C@@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)[C@H]1c1cccs1 ZINC000466079657 991256171 /nfs/dbraw/zinc/25/61/71/991256171.db2.gz PJFDWVHBZZTDRG-ONTIZHBOSA-N 2 1 412.603 3.829 20 0 HHADMP C[NH+]1CCC[C@@H](CNC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)[C@H]1c1cccs1 ZINC000466079657 991256180 /nfs/dbraw/zinc/25/61/80/991256180.db2.gz PJFDWVHBZZTDRG-ONTIZHBOSA-N 2 1 412.603 3.829 20 0 HHADMP C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[C@H](c2ccccc2)C1 ZINC000466079657 991256190 /nfs/dbraw/zinc/25/61/90/991256190.db2.gz PJFDWVHBZZTDRG-ONTIZHBOSA-N 2 1 412.603 3.829 20 0 HHADMP C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[C@H](c2ccccc2)C1 ZINC000466079657 991256200 /nfs/dbraw/zinc/25/62/00/991256200.db2.gz PJFDWVHBZZTDRG-ONTIZHBOSA-N 2 1 412.603 3.829 20 0 HHADMP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000466085941 991264266 /nfs/dbraw/zinc/26/42/66/991264266.db2.gz STOXPIUMCZQJLD-UNMCSNQZSA-N 2 1 414.619 3.904 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000466437289 991726137 /nfs/dbraw/zinc/72/61/37/991726137.db2.gz AEWVOCQNRBJSFX-HYBUGGRVSA-N 2 1 406.574 3.745 20 0 HHADMP Cc1oc2ccccc2c1CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000466641538 991956190 /nfs/dbraw/zinc/95/61/90/991956190.db2.gz JMKXVOLKOBLJKC-UHFFFAOYSA-N 2 1 411.590 3.938 20 0 HHADMP CC[NH+](CC)CCOC1CC[NH+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000466747694 992055529 /nfs/dbraw/zinc/05/55/29/992055529.db2.gz MVZFHNUNGRQSFF-OAQYLSRUSA-N 2 1 407.986 3.658 20 0 HHADMP O=C(Nc1ccccc1)[C@H](c1ccccc1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000467209836 992534988 /nfs/dbraw/zinc/53/49/88/992534988.db2.gz YRJZLIBRBQPXOL-DEOSSOPVSA-N 2 1 407.558 3.943 20 0 HHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467273848 992596236 /nfs/dbraw/zinc/59/62/36/992596236.db2.gz TUOZTJJSHURKNV-UHFFFAOYSA-N 2 1 410.356 3.626 20 0 HHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467273848 992596243 /nfs/dbraw/zinc/59/62/43/992596243.db2.gz TUOZTJJSHURKNV-UHFFFAOYSA-N 2 1 410.356 3.626 20 0 HHADMP C[C@H](c1ccc(NC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000467495168 992780916 /nfs/dbraw/zinc/78/09/16/992780916.db2.gz UPOLNXIROHPYLV-REHUZNOOSA-N 2 1 422.573 3.864 20 0 HHADMP C[C@H](c1ccc(NC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000467495168 992780922 /nfs/dbraw/zinc/78/09/22/992780922.db2.gz UPOLNXIROHPYLV-REHUZNOOSA-N 2 1 422.573 3.864 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000467547059 992826247 /nfs/dbraw/zinc/82/62/47/992826247.db2.gz DZEDAGUYDORGQT-OFVILXPXSA-N 2 1 421.585 3.619 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000467547059 992826255 /nfs/dbraw/zinc/82/62/55/992826255.db2.gz DZEDAGUYDORGQT-OFVILXPXSA-N 2 1 421.585 3.619 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000467547060 992826542 /nfs/dbraw/zinc/82/65/42/992826542.db2.gz DZEDAGUYDORGQT-PXDATVDWSA-N 2 1 421.585 3.619 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000467547060 992826549 /nfs/dbraw/zinc/82/65/49/992826549.db2.gz DZEDAGUYDORGQT-PXDATVDWSA-N 2 1 421.585 3.619 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467848806 993080909 /nfs/dbraw/zinc/08/09/09/993080909.db2.gz FBASTIUEPPAFJW-OALUTQOASA-N 2 1 415.603 3.813 20 0 HHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000472295391 993309699 /nfs/dbraw/zinc/30/96/99/993309699.db2.gz RAAVQKSMEWBGQB-OAHLLOKOSA-N 2 1 413.349 3.976 20 0 HHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000472295391 993309704 /nfs/dbraw/zinc/30/97/04/993309704.db2.gz RAAVQKSMEWBGQB-OAHLLOKOSA-N 2 1 413.349 3.976 20 0 HHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472297204 993310833 /nfs/dbraw/zinc/31/08/33/993310833.db2.gz KKZRMPCQHJPAPS-HSZRJFAPSA-N 2 1 408.590 3.718 20 0 HHADMP C[NH+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472297204 993310840 /nfs/dbraw/zinc/31/08/40/993310840.db2.gz KKZRMPCQHJPAPS-HSZRJFAPSA-N 2 1 408.590 3.718 20 0 HHADMP C[NH+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472297204 993310845 /nfs/dbraw/zinc/31/08/45/993310845.db2.gz KKZRMPCQHJPAPS-HSZRJFAPSA-N 2 1 408.590 3.718 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000472485988 993488772 /nfs/dbraw/zinc/48/87/72/993488772.db2.gz ILQOJNDGVPZMOK-ISKFKSNPSA-N 2 1 423.605 3.537 20 0 HHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3cccc(N4CCOCC4)c3)cc2)CC1 ZINC000480724202 993592239 /nfs/dbraw/zinc/59/22/39/993592239.db2.gz AVVSARSSYVLUJM-JOCHJYFZSA-N 2 1 422.617 3.512 20 0 HHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCOc3ccc(OC)cc32)CC1 ZINC000480735537 993601608 /nfs/dbraw/zinc/60/16/08/993601608.db2.gz KUHJJOJNJJYOAQ-XMMPIXPASA-N 2 1 409.574 3.836 20 0 HHADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480769016 993633818 /nfs/dbraw/zinc/63/38/18/993633818.db2.gz HSYLNLIRTACIJN-RTBURBONSA-N 2 1 419.635 3.823 20 0 HHADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480769016 993633825 /nfs/dbraw/zinc/63/38/25/993633825.db2.gz HSYLNLIRTACIJN-RTBURBONSA-N 2 1 419.635 3.823 20 0 HHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000480777333 993643690 /nfs/dbraw/zinc/64/36/90/993643690.db2.gz HSDHJDYPOSEAES-RXVVDRJESA-N 3 1 412.544 3.537 20 0 HHADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000480777333 993643694 /nfs/dbraw/zinc/64/36/94/993643694.db2.gz HSDHJDYPOSEAES-RXVVDRJESA-N 2 1 412.544 3.537 20 0 HHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000480779416 993645743 /nfs/dbraw/zinc/64/57/43/993645743.db2.gz KODJUDJDLOCLRR-BWKNWUBXSA-N 2 1 420.601 3.843 20 0 HHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000480779419 993646219 /nfs/dbraw/zinc/64/62/19/993646219.db2.gz KODJUDJDLOCLRR-SQJMNOBHSA-N 2 1 420.601 3.843 20 0 HHADMP Cc1cccc([C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)N2CCOCC2)c1 ZINC000480780545 993647060 /nfs/dbraw/zinc/64/70/60/993647060.db2.gz QUMRUYGVYHDMHN-RZFJZAQRSA-N 2 1 407.602 3.869 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[N@H+]1C ZINC000480781104 993648768 /nfs/dbraw/zinc/64/87/68/993648768.db2.gz SPUBOKNTBMTCLB-UYAOXDASSA-N 3 1 412.544 3.680 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CCN1C ZINC000480781104 993648771 /nfs/dbraw/zinc/64/87/71/993648771.db2.gz SPUBOKNTBMTCLB-UYAOXDASSA-N 2 1 412.544 3.680 20 0 HHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000472765176 993704963 /nfs/dbraw/zinc/70/49/63/993704963.db2.gz CZDCELVCNZIXKK-LJQANCHMSA-N 2 1 408.384 3.974 20 0 HHADMP Cc1cc([C@@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)cc(C)c1F ZINC000480888213 993748964 /nfs/dbraw/zinc/74/89/64/993748964.db2.gz XGGGKVXBQHZNSK-LJQANCHMSA-N 2 1 413.537 3.954 20 0 HHADMP CCS[C@H]1CCCC[N@@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000480954598 993794991 /nfs/dbraw/zinc/79/49/91/993794991.db2.gz HGNITLOJGFTNMH-QFIPXVFZSA-N 2 1 403.636 3.683 20 0 HHADMP Cc1sc(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)nc1-c1ccc(Cl)cc1 ZINC000480973534 993815039 /nfs/dbraw/zinc/81/50/39/993815039.db2.gz VCBNSTDAZJYYNV-UHFFFAOYSA-N 2 1 406.983 3.984 20 0 HHADMP Cc1ccc(CN(C(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C2CC2)cc1 ZINC000481187030 994019579 /nfs/dbraw/zinc/01/95/79/994019579.db2.gz GSLLIFNPFDUPNY-SQJMNOBHSA-N 2 1 405.586 3.986 20 0 HHADMP Cc1ccc(CN(C(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C2CC2)cc1 ZINC000481187030 994019589 /nfs/dbraw/zinc/01/95/89/994019589.db2.gz GSLLIFNPFDUPNY-SQJMNOBHSA-N 2 1 405.586 3.986 20 0 HHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCCCSc1ccccc1 ZINC000481190753 994023760 /nfs/dbraw/zinc/02/37/60/994023760.db2.gz LXTXTNBTHKVUON-NFBKMPQASA-N 2 1 411.615 3.785 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCCCSc1ccccc1 ZINC000481190753 994023770 /nfs/dbraw/zinc/02/37/70/994023770.db2.gz LXTXTNBTHKVUON-NFBKMPQASA-N 2 1 411.615 3.785 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCCCSc1ccccc1 ZINC000481190753 994023781 /nfs/dbraw/zinc/02/37/81/994023781.db2.gz LXTXTNBTHKVUON-NFBKMPQASA-N 2 1 411.615 3.785 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000481192324 994025329 /nfs/dbraw/zinc/02/53/29/994025329.db2.gz SLUAEQSUSPAEEL-PIPMEXSNSA-N 2 1 422.491 3.945 20 0 HHADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000481230346 994060741 /nfs/dbraw/zinc/06/07/41/994060741.db2.gz GNQKVDUAZXPQHO-MRXNPFEDSA-N 2 1 408.575 3.511 20 0 HHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)CC1 ZINC000481307737 994124471 /nfs/dbraw/zinc/12/44/71/994124471.db2.gz KQJGOSXJTIRJDG-SFHVURJKSA-N 2 1 401.576 3.682 20 0 HHADMP COc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc(OC)c1OC ZINC000481546376 994378544 /nfs/dbraw/zinc/37/85/44/994378544.db2.gz PPFFDXPBAFDNQP-QZTJIDSGSA-N 2 1 414.546 3.784 20 0 HHADMP COc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc(OC)c1OC ZINC000481546376 994378556 /nfs/dbraw/zinc/37/85/56/994378556.db2.gz PPFFDXPBAFDNQP-QZTJIDSGSA-N 2 1 414.546 3.784 20 0 HHADMP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1NC(C)=O ZINC000481551815 994385236 /nfs/dbraw/zinc/38/52/36/994385236.db2.gz JPXSQAOVTDRGKZ-ZWKOTPCHSA-N 2 1 411.546 3.725 20 0 HHADMP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1NC(C)=O ZINC000481551815 994385245 /nfs/dbraw/zinc/38/52/45/994385245.db2.gz JPXSQAOVTDRGKZ-ZWKOTPCHSA-N 2 1 411.546 3.725 20 0 HHADMP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1NC(C)=O ZINC000481551812 994385352 /nfs/dbraw/zinc/38/53/52/994385352.db2.gz JPXSQAOVTDRGKZ-MSOLQXFVSA-N 2 1 411.546 3.725 20 0 HHADMP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1NC(C)=O ZINC000481551812 994385360 /nfs/dbraw/zinc/38/53/60/994385360.db2.gz JPXSQAOVTDRGKZ-MSOLQXFVSA-N 2 1 411.546 3.725 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC3CC[NH+](C4CCCCC4)CC3)cc2)C[C@H](C)O1 ZINC000473542529 994402989 /nfs/dbraw/zinc/40/29/89/994402989.db2.gz AUZAAALSBHMXDP-BGYRXZFFSA-N 2 1 413.606 3.823 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC3CC[NH+](C4CCCCC4)CC3)cc2)C[C@H](C)O1 ZINC000473542529 994402993 /nfs/dbraw/zinc/40/29/93/994402993.db2.gz AUZAAALSBHMXDP-BGYRXZFFSA-N 2 1 413.606 3.823 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(c3cc(C)ccc3OC)CCOCC2)[C@@H](C)C1 ZINC000481584490 994426969 /nfs/dbraw/zinc/42/69/69/994426969.db2.gz TVODICDFGYITSG-JTHBVZDNSA-N 2 1 418.622 3.778 20 0 HHADMP CC[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481663743 994524331 /nfs/dbraw/zinc/52/43/31/994524331.db2.gz ATUSPODXRHSULD-LJQANCHMSA-N 2 1 414.015 3.696 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)NCC[C@@H](C)[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000473824155 994753102 /nfs/dbraw/zinc/75/31/02/994753102.db2.gz UHLZRYBTZHWWFX-OAQYLSRUSA-N 2 1 423.605 3.861 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)NCCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c2)CC1 ZINC000473827122 994757097 /nfs/dbraw/zinc/75/70/97/994757097.db2.gz HEFULTRMYRKIEM-OYRHEFFESA-N 2 1 415.626 3.708 20 0 HHADMP CC[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481932037 994804708 /nfs/dbraw/zinc/80/47/08/994804708.db2.gz LDXZMHSHXSWCJZ-FQEVSTJZSA-N 2 1 424.010 3.811 20 0 HHADMP CC[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481932037 994804717 /nfs/dbraw/zinc/80/47/17/994804717.db2.gz LDXZMHSHXSWCJZ-FQEVSTJZSA-N 2 1 424.010 3.811 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cc2cccc(F)c2o1 ZINC000473870870 994811564 /nfs/dbraw/zinc/81/15/64/994811564.db2.gz FIKXQVCUDQAOTP-WMZOPIPTSA-N 2 1 404.530 3.690 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NC3CC([NH+]4CCCCC4)C3)cc2)C1 ZINC000474048450 995038421 /nfs/dbraw/zinc/03/84/21/995038421.db2.gz WTBXOYZKTJIJHO-TUUBTQOTSA-N 2 1 412.622 3.981 20 0 HHADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000474071960 995058427 /nfs/dbraw/zinc/05/84/27/995058427.db2.gz HNUHIAPUOJZSOV-GBXCKJPGSA-N 2 1 421.585 3.905 20 0 HHADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)ccc1S(C)(=O)=O ZINC000482120327 995067531 /nfs/dbraw/zinc/06/75/31/995067531.db2.gz AUTPHWDOUVLRRY-IAGOWNOFSA-N 2 1 422.616 3.723 20 0 HHADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1S(C)(=O)=O ZINC000482120327 995067541 /nfs/dbraw/zinc/06/75/41/995067541.db2.gz AUTPHWDOUVLRRY-IAGOWNOFSA-N 2 1 422.616 3.723 20 0 HHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000482120849 995068801 /nfs/dbraw/zinc/06/88/01/995068801.db2.gz BOMHOFDFVGDTFW-QGZVFWFLSA-N 2 1 404.580 3.543 20 0 HHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000482134351 995084537 /nfs/dbraw/zinc/08/45/37/995084537.db2.gz LOJLPGKCECOANF-MSOLQXFVSA-N 2 1 421.632 3.561 20 0 HHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000482134351 995084547 /nfs/dbraw/zinc/08/45/47/995084547.db2.gz LOJLPGKCECOANF-MSOLQXFVSA-N 2 1 421.632 3.561 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N[C@@H](C)c2cccc3ccccc32)[C@H](C)C1 ZINC000482141078 995090826 /nfs/dbraw/zinc/09/08/26/995090826.db2.gz XYUQFPXTLRDBMT-NMMYMHLASA-N 2 1 411.590 3.744 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N[C@@H](C)c2cccc3ccccc32)[C@H](C)C1 ZINC000482141078 995090847 /nfs/dbraw/zinc/09/08/47/995090847.db2.gz XYUQFPXTLRDBMT-NMMYMHLASA-N 2 1 411.590 3.744 20 0 HHADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000482356336 995336471 /nfs/dbraw/zinc/33/64/71/995336471.db2.gz KBONNCNMDXUPDI-LJQANCHMSA-N 2 1 410.400 3.526 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)[C@@H](C)C1 ZINC000482455074 995456141 /nfs/dbraw/zinc/45/61/41/995456141.db2.gz FTLIQTXJOGZUIW-DSKINZAPSA-N 2 1 424.427 3.754 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000482470044 995474677 /nfs/dbraw/zinc/47/46/77/995474677.db2.gz XSPORCKHBAJSRU-RUZDIDTESA-N 2 1 405.586 3.925 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000474518972 995482390 /nfs/dbraw/zinc/48/23/90/995482390.db2.gz WTYULBZKTWMCCJ-BSRHZMJTSA-N 2 1 422.617 3.916 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000474527381 995492819 /nfs/dbraw/zinc/49/28/19/995492819.db2.gz XIMZWMIXPYFMHZ-TXTKFYIRSA-N 2 1 412.622 3.516 20 0 HHADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000482540423 995548621 /nfs/dbraw/zinc/54/86/21/995548621.db2.gz DGZDKLOEBHLDES-GDBMZVCRSA-N 2 1 403.514 3.579 20 0 HHADMP Cc1cccc(COc2ccc([C@H](C)[NH2+]CCC[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000482545833 995554157 /nfs/dbraw/zinc/55/41/57/995554157.db2.gz ZZSIUXHJRJQHRJ-NZQKXSOJSA-N 2 1 409.574 3.812 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000482554734 995561756 /nfs/dbraw/zinc/56/17/56/995561756.db2.gz MLEYDCSZLUDACK-QFQXNSOFSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000482554734 995561764 /nfs/dbraw/zinc/56/17/64/995561764.db2.gz MLEYDCSZLUDACK-QFQXNSOFSA-N 2 1 407.602 3.644 20 0 HHADMP CCc1nc2c(s1)[C@@H]([NH2+]Cc1cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c1)CCC2 ZINC000482621720 995617482 /nfs/dbraw/zinc/61/74/82/995617482.db2.gz UCCFEAIFZKDBPU-OALUTQOASA-N 2 1 412.603 3.570 20 0 HHADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1OC ZINC000474820851 995726039 /nfs/dbraw/zinc/72/60/39/995726039.db2.gz ICYLQLYISKEPQP-VNHKHXMHSA-N 2 1 412.574 3.668 20 0 HHADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1OC ZINC000474820851 995726062 /nfs/dbraw/zinc/72/60/62/995726062.db2.gz ICYLQLYISKEPQP-VNHKHXMHSA-N 2 1 412.574 3.668 20 0 HHADMP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)CCC3)cc1 ZINC000482874772 995808770 /nfs/dbraw/zinc/80/87/70/995808770.db2.gz PJRCZSYNAWQUBO-ICSRJNTNSA-N 2 1 415.603 3.879 20 0 HHADMP COc1cccc(C[C@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c2ccccc2)c1 ZINC000482886390 995817893 /nfs/dbraw/zinc/81/78/93/995817893.db2.gz GNGQLOGCSGERBC-DEOSSOPVSA-N 2 1 409.574 3.511 20 0 HHADMP CCN(C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475003582 995860041 /nfs/dbraw/zinc/86/00/41/995860041.db2.gz PEBFTSGLXHADFR-JOCHJYFZSA-N 2 1 424.593 3.587 20 0 HHADMP CC1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000475050298 995891696 /nfs/dbraw/zinc/89/16/96/995891696.db2.gz VARZNOKRQIAYDB-GHTZIAJQSA-N 2 1 411.512 3.936 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1)c1ccccc1 ZINC000475137644 995946820 /nfs/dbraw/zinc/94/68/20/995946820.db2.gz KNRPTJMLCCKHIX-GHTZIAJQSA-N 2 1 424.520 3.565 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1)c1ccccc1 ZINC000475137644 995946825 /nfs/dbraw/zinc/94/68/25/995946825.db2.gz KNRPTJMLCCKHIX-GHTZIAJQSA-N 2 1 424.520 3.565 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[NH+]1CCCCCC1 ZINC000475148875 995954545 /nfs/dbraw/zinc/95/45/45/995954545.db2.gz MBNJMKLELLXUIH-QGZVFWFLSA-N 2 1 422.411 3.794 20 0 HHADMP CCN(C(=O)NC[C@@H]1CCC[NH+](CC(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475165245 995965265 /nfs/dbraw/zinc/96/52/65/995965265.db2.gz RBKFCPYAKGNJDD-XZOQPEGZSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475165245 995965271 /nfs/dbraw/zinc/96/52/71/995965271.db2.gz RBKFCPYAKGNJDD-XZOQPEGZSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475165245 995965276 /nfs/dbraw/zinc/96/52/76/995965276.db2.gz RBKFCPYAKGNJDD-XZOQPEGZSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000483087220 995965395 /nfs/dbraw/zinc/96/53/95/995965395.db2.gz IZPQEQODKMECKU-HXUWFJFHSA-N 2 1 412.578 3.975 20 0 HHADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000483087220 995965400 /nfs/dbraw/zinc/96/54/00/995965400.db2.gz IZPQEQODKMECKU-HXUWFJFHSA-N 2 1 412.578 3.975 20 0 HHADMP CCN(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475171225 995969675 /nfs/dbraw/zinc/96/96/75/995969675.db2.gz DAOVPPXWINEYOZ-XMMPIXPASA-N 2 1 421.589 3.604 20 0 HHADMP CCN(C(=O)NCCCC[NH+]1CCCC[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475177580 995974384 /nfs/dbraw/zinc/97/43/84/995974384.db2.gz ZHPSMHQFLDZSEB-FYYLOGMGSA-N 2 1 400.611 3.947 20 0 HHADMP CCN(C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475177580 995974390 /nfs/dbraw/zinc/97/43/90/995974390.db2.gz ZHPSMHQFLDZSEB-FYYLOGMGSA-N 2 1 400.611 3.947 20 0 HHADMP CCN(C(=O)NCCCC[N@H+]1CCCC[C@H]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475177580 995974398 /nfs/dbraw/zinc/97/43/98/995974398.db2.gz ZHPSMHQFLDZSEB-FYYLOGMGSA-N 2 1 400.611 3.947 20 0 HHADMP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483199151 996033115 /nfs/dbraw/zinc/03/31/15/996033115.db2.gz RUCTWECZWSOTIB-HXUWFJFHSA-N 2 1 401.620 3.871 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000475266035 996033898 /nfs/dbraw/zinc/03/38/98/996033898.db2.gz CZXFPSWHFRSMNP-IEZKXTBUSA-N 2 1 420.601 3.955 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000475266035 996033904 /nfs/dbraw/zinc/03/39/04/996033904.db2.gz CZXFPSWHFRSMNP-IEZKXTBUSA-N 2 1 420.601 3.955 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000475266035 996033909 /nfs/dbraw/zinc/03/39/09/996033909.db2.gz CZXFPSWHFRSMNP-IEZKXTBUSA-N 2 1 420.601 3.955 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475290196 996048208 /nfs/dbraw/zinc/04/82/08/996048208.db2.gz GTVQBWGWKBPHMX-ZODMCCGTSA-N 2 1 420.601 3.813 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475290196 996048211 /nfs/dbraw/zinc/04/82/11/996048211.db2.gz GTVQBWGWKBPHMX-ZODMCCGTSA-N 2 1 420.601 3.813 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475290196 996048218 /nfs/dbraw/zinc/04/82/18/996048218.db2.gz GTVQBWGWKBPHMX-ZODMCCGTSA-N 2 1 420.601 3.813 20 0 HHADMP C[N@H+]1CCCC[C@H]1CCC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000483280207 996077941 /nfs/dbraw/zinc/07/79/41/996077941.db2.gz BXAZDMDDHQHILC-NRFANRHFSA-N 2 1 400.567 3.704 20 0 HHADMP O[C@H](COc1cccc2[nH]ccc21)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483508807 996224672 /nfs/dbraw/zinc/22/46/72/996224672.db2.gz BLBSIAVLDMBGLW-WRALFONMSA-N 2 1 419.569 3.894 20 0 HHADMP O[C@H](COc1cccc2[nH]ccc21)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483508807 996224677 /nfs/dbraw/zinc/22/46/77/996224677.db2.gz BLBSIAVLDMBGLW-WRALFONMSA-N 2 1 419.569 3.894 20 0 HHADMP O[C@H](COc1cccc2[nH]ccc21)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483508807 996224681 /nfs/dbraw/zinc/22/46/81/996224681.db2.gz BLBSIAVLDMBGLW-WRALFONMSA-N 2 1 419.569 3.894 20 0 HHADMP O[C@H](COc1cccc2[nH]ccc21)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483508807 996224685 /nfs/dbraw/zinc/22/46/85/996224685.db2.gz BLBSIAVLDMBGLW-WRALFONMSA-N 2 1 419.569 3.894 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)C[C@H]1C ZINC000483526931 996233739 /nfs/dbraw/zinc/23/37/39/996233739.db2.gz BGVGGBODMNSYOA-NWSQWKLXSA-N 2 1 416.610 3.736 20 0 HHADMP OC[C@@]1(Cc2ccccc2)CCC[NH+]1CCC[N@@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000475668417 996288693 /nfs/dbraw/zinc/28/86/93/996288693.db2.gz QTISGTIDNITHFG-SVBPBHIXSA-N 2 1 422.613 3.516 20 0 HHADMP C[NH+](C)CCCC1CCN(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000483680697 996325158 /nfs/dbraw/zinc/32/51/58/996325158.db2.gz JKURKYHQZKXGKE-HSZRJFAPSA-N 2 1 400.611 3.660 20 0 HHADMP O[C@H](COCc1ccccc1F)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475727018 996326716 /nfs/dbraw/zinc/32/67/16/996326716.db2.gz BRIGFQAPHRIBGC-ZCYQVOJMSA-N 2 1 412.549 3.691 20 0 HHADMP O[C@H](COCc1ccccc1F)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475727018 996326721 /nfs/dbraw/zinc/32/67/21/996326721.db2.gz BRIGFQAPHRIBGC-ZCYQVOJMSA-N 2 1 412.549 3.691 20 0 HHADMP O[C@H](COCc1ccccc1F)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475727018 996326727 /nfs/dbraw/zinc/32/67/27/996326727.db2.gz BRIGFQAPHRIBGC-ZCYQVOJMSA-N 2 1 412.549 3.691 20 0 HHADMP O[C@H](COCc1cccs1)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475729537 996329348 /nfs/dbraw/zinc/32/93/48/996329348.db2.gz NNFIVTOXAUVPCW-GMAHTHKFSA-N 2 1 400.588 3.614 20 0 HHADMP O[C@H](COCc1cccs1)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475729537 996329355 /nfs/dbraw/zinc/32/93/55/996329355.db2.gz NNFIVTOXAUVPCW-GMAHTHKFSA-N 2 1 400.588 3.614 20 0 HHADMP O[C@H](COCc1cccs1)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475729537 996329362 /nfs/dbraw/zinc/32/93/62/996329362.db2.gz NNFIVTOXAUVPCW-GMAHTHKFSA-N 2 1 400.588 3.614 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1)c1cccc(OC)c1 ZINC000483705950 996339464 /nfs/dbraw/zinc/33/94/64/996339464.db2.gz DDIOXJQQPUQPKK-RCZSKKKRSA-N 2 1 404.599 3.592 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C[C@@H]1C ZINC000483715162 996345145 /nfs/dbraw/zinc/34/51/45/996345145.db2.gz WLQJYZRQCPPZBI-DZFGPLHGSA-N 2 1 407.002 3.991 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(-c2ccccc2)ns1 ZINC000475801054 996379217 /nfs/dbraw/zinc/37/92/17/996379217.db2.gz ZASOCUORFGDIAV-GOSISDBHSA-N 2 1 401.580 3.690 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2cccc(Br)c2)[C@@H](C)C1 ZINC000483814924 996405479 /nfs/dbraw/zinc/40/54/79/996405479.db2.gz HCZXCNZOQYKJHE-ZWOKBUDYSA-N 2 1 413.400 3.943 20 0 HHADMP C[C@@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000483970961 996498921 /nfs/dbraw/zinc/49/89/21/996498921.db2.gz GNCIEXDDVDCDHG-ZJSXRUAMSA-N 2 1 420.601 3.861 20 0 HHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000483998406 996513925 /nfs/dbraw/zinc/51/39/25/996513925.db2.gz CDIVNCIWVGXFCC-XMMPIXPASA-N 2 1 421.585 3.503 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000484509377 996838779 /nfs/dbraw/zinc/83/87/79/996838779.db2.gz ZKEUHDTXXMZYCL-NQHRYMMQSA-N 2 1 405.586 3.720 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000484509377 996838794 /nfs/dbraw/zinc/83/87/94/996838794.db2.gz ZKEUHDTXXMZYCL-NQHRYMMQSA-N 2 1 405.586 3.720 20 0 HHADMP C[NH+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000484715900 997055774 /nfs/dbraw/zinc/05/57/74/997055774.db2.gz VIUASVGIYGHTGQ-MRXNPFEDSA-N 2 1 413.393 3.551 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc(F)c1 ZINC000476575782 997076099 /nfs/dbraw/zinc/07/60/99/997076099.db2.gz ZYQRISXNDWHSRI-NHYNNZIHSA-N 2 1 424.564 3.923 20 0 HHADMP CC[C@@H](C)n1ncc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000484932331 997308591 /nfs/dbraw/zinc/30/85/91/997308591.db2.gz AXFSIMQOOTUWFV-GOSISDBHSA-N 2 1 418.630 3.823 20 0 HHADMP C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000484968315 997340354 /nfs/dbraw/zinc/34/03/54/997340354.db2.gz FNUFZSATDIBDEP-IHPCNDPISA-N 2 1 400.592 3.561 20 0 HHADMP Cc1cc2ncn(C[C@@H](O)C[NH+]3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)c2cc1C ZINC000476983232 997607117 /nfs/dbraw/zinc/60/71/17/997607117.db2.gz KPXIMVCWSLINQK-GGAORHGYSA-N 2 1 412.622 3.991 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000476988683 997614545 /nfs/dbraw/zinc/61/45/45/997614545.db2.gz SYGUXNIAOHRXOF-SFHVURJKSA-N 2 1 401.551 3.720 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1F ZINC000485237422 997618907 /nfs/dbraw/zinc/61/89/07/997618907.db2.gz ZKCWHXBDFVHAHT-OPAMFIHVSA-N 2 1 409.509 3.810 20 0 HHADMP C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476995398 997624039 /nfs/dbraw/zinc/62/40/39/997624039.db2.gz NLDXILJEKIETCO-OALUTQOASA-N 2 1 403.636 3.998 20 0 HHADMP Nc1ccc(F)c(NC(=O)CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000485343552 997762835 /nfs/dbraw/zinc/76/28/35/997762835.db2.gz HOICMOQHWZJXQJ-CVDCTZTESA-N 2 1 410.537 3.723 20 0 HHADMP Nc1ccc(F)c(NC(=O)CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000485343552 997762844 /nfs/dbraw/zinc/76/28/44/997762844.db2.gz HOICMOQHWZJXQJ-CVDCTZTESA-N 2 1 410.537 3.723 20 0 HHADMP Nc1ccc(F)c(NC(=O)CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000485343552 997762852 /nfs/dbraw/zinc/76/28/52/997762852.db2.gz HOICMOQHWZJXQJ-CVDCTZTESA-N 2 1 410.537 3.723 20 0 HHADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000485391835 997819894 /nfs/dbraw/zinc/81/98/94/997819894.db2.gz YOGFIETULQMXOJ-LJQANCHMSA-N 2 1 407.002 3.535 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccco1 ZINC000485465743 997910848 /nfs/dbraw/zinc/91/08/48/997910848.db2.gz NQFXTMWXFVBHEA-YPAWHYETSA-N 2 1 410.562 3.578 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccco1 ZINC000485465743 997910861 /nfs/dbraw/zinc/91/08/61/997910861.db2.gz NQFXTMWXFVBHEA-YPAWHYETSA-N 2 1 410.562 3.578 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000477298199 997984905 /nfs/dbraw/zinc/98/49/05/997984905.db2.gz KNELEHOZIQTNDL-NHYNNZIHSA-N 2 1 410.606 3.842 20 0 HHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000477534399 998253260 /nfs/dbraw/zinc/25/32/60/998253260.db2.gz JSPNJCARWBJDMT-IBGZPJMESA-N 2 1 415.603 3.601 20 0 HHADMP CC(C)[C@H]1OCCC[C@H]1Nc1nc(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc[nH+]1 ZINC000486011557 998455988 /nfs/dbraw/zinc/45/59/88/998455988.db2.gz YGTRXCAHQQOQJM-PABCKOPISA-N 2 1 424.593 3.616 20 0 HHADMP CC(C)[C@H]1OCCC[C@H]1Nc1nc(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc[nH+]1 ZINC000486011557 998455993 /nfs/dbraw/zinc/45/59/93/998455993.db2.gz YGTRXCAHQQOQJM-PABCKOPISA-N 2 1 424.593 3.616 20 0 HHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000486142743 998591669 /nfs/dbraw/zinc/59/16/69/998591669.db2.gz CUSNNNUHYKEPGJ-HSZRJFAPSA-N 2 1 421.589 3.607 20 0 HHADMP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)C2=O)cc1 ZINC000477909239 998649407 /nfs/dbraw/zinc/64/94/07/998649407.db2.gz DJOCSRSBMDYBFL-LIONHTAISA-N 2 1 403.570 3.596 20 0 HHADMP C[C@H](NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486300521 998702195 /nfs/dbraw/zinc/70/21/95/998702195.db2.gz TXUTVTMWJREHBU-KHUIQGCPSA-N 2 1 414.638 3.954 20 0 HHADMP C[C@H](NC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486300521 998702199 /nfs/dbraw/zinc/70/21/99/998702199.db2.gz TXUTVTMWJREHBU-KHUIQGCPSA-N 2 1 414.638 3.954 20 0 HHADMP C[C@H](NC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486300521 998702204 /nfs/dbraw/zinc/70/22/04/998702204.db2.gz TXUTVTMWJREHBU-KHUIQGCPSA-N 2 1 414.638 3.954 20 0 HHADMP C[C@@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486472021 998784793 /nfs/dbraw/zinc/78/47/93/998784793.db2.gz AWUBACZJTXLBEW-NFBKMPQASA-N 2 1 412.622 3.851 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1(c2cccnc2)CCCC1 ZINC000486783417 998938588 /nfs/dbraw/zinc/93/85/88/998938588.db2.gz QXCQVZLLVVZATP-UHFFFAOYSA-N 2 1 412.622 3.548 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NCC(C)(C)C[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000478408802 998942092 /nfs/dbraw/zinc/94/20/92/998942092.db2.gz BFIYVDNIWXGIIG-IFMALSPDSA-N 2 1 400.611 3.803 20 0 HHADMP c1ccc(C[N@H+]2CCC[C@H]2CN2CCCC2)c(CN2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000486977457 999025028 /nfs/dbraw/zinc/02/50/28/999025028.db2.gz OZHUIKIGLXLBQE-WMPKNSHKSA-N 2 1 410.650 3.807 20 0 HHADMP c1ccc(C[N@@H+]2CCC[C@H]2CN2CCCC2)c(CN2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000486977457 999025032 /nfs/dbraw/zinc/02/50/32/999025032.db2.gz OZHUIKIGLXLBQE-WMPKNSHKSA-N 2 1 410.650 3.807 20 0 HHADMP c1ccc(C[N@H+]2CCC[C@@H]2CN2CCCC2)c(CN2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000486977457 999025035 /nfs/dbraw/zinc/02/50/35/999025035.db2.gz OZHUIKIGLXLBQE-WMPKNSHKSA-N 2 1 410.650 3.807 20 0 HHADMP c1ccc(C[N@@H+]2CCC[C@@H]2CN2CCCC2)c(CN2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000486977457 999025039 /nfs/dbraw/zinc/02/50/39/999025039.db2.gz OZHUIKIGLXLBQE-WMPKNSHKSA-N 2 1 410.650 3.807 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C(=O)C2CCC2)cc1 ZINC000487006434 999033706 /nfs/dbraw/zinc/03/37/06/999033706.db2.gz FLOGKBNSGSANHM-NRFANRHFSA-N 2 1 400.567 3.549 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000487024706 999039814 /nfs/dbraw/zinc/03/98/14/999039814.db2.gz ADNAMLYLFKREKD-OYDLWJJNSA-N 2 1 408.590 3.808 20 0 HHADMP C[C@H](NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487213452 999098843 /nfs/dbraw/zinc/09/88/43/999098843.db2.gz VJVGXOXWSLVHNR-QTGUNEKASA-N 2 1 412.553 3.638 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(Cl)c1 ZINC000487916158 999314857 /nfs/dbraw/zinc/31/48/57/999314857.db2.gz QEHHKDLYIIZCCB-MSOLQXFVSA-N 2 1 415.965 3.528 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[NH+](C3CCC3)C[C@@H](C)C2)C1 ZINC000488190286 999408804 /nfs/dbraw/zinc/40/88/04/999408804.db2.gz RQGUEJMDVPJCCP-NHCUHLMSSA-N 2 1 412.622 3.934 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)C1 ZINC000488190286 999408808 /nfs/dbraw/zinc/40/88/08/999408808.db2.gz RQGUEJMDVPJCCP-NHCUHLMSSA-N 2 1 412.622 3.934 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)C1 ZINC000488190286 999408811 /nfs/dbraw/zinc/40/88/11/999408811.db2.gz RQGUEJMDVPJCCP-NHCUHLMSSA-N 2 1 412.622 3.934 20 0 HHADMP CCCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CC3)[C@H]2c2cccc(OC)c2)CC1 ZINC000488273075 999419394 /nfs/dbraw/zinc/41/93/94/999419394.db2.gz ODMWPPFKXPFMEI-GOTSBHOMSA-N 2 1 414.594 3.537 20 0 HHADMP COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000479442560 999419519 /nfs/dbraw/zinc/41/95/19/999419519.db2.gz DEXDOIQXVDDYIG-XMMPIXPASA-N 2 1 403.526 3.614 20 0 HHADMP CN1CCO[C@H]([C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccc(Cl)cc2)C1 ZINC000479452301 999423791 /nfs/dbraw/zinc/42/37/91/999423791.db2.gz ZJOCGOQLIABQFN-NKKJXINNSA-N 2 1 413.993 3.823 20 0 HHADMP CN1CCO[C@H]([C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccc(Cl)cc2)C1 ZINC000479452301 999423794 /nfs/dbraw/zinc/42/37/94/999423794.db2.gz ZJOCGOQLIABQFN-NKKJXINNSA-N 2 1 413.993 3.823 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2cc3ccc(F)cc3[nH]2)CC1)Cc1ccccc1 ZINC000488329053 999442786 /nfs/dbraw/zinc/44/27/86/999442786.db2.gz GGRISSCJDUPRAZ-UHFFFAOYSA-N 2 1 422.548 3.767 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000488529160 999518930 /nfs/dbraw/zinc/51/89/30/999518930.db2.gz HDDONTKHQQSQIA-MZYLBHOOSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000488529160 999518933 /nfs/dbraw/zinc/51/89/33/999518933.db2.gz HDDONTKHQQSQIA-MZYLBHOOSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000488529160 999518934 /nfs/dbraw/zinc/51/89/34/999518934.db2.gz HDDONTKHQQSQIA-MZYLBHOOSA-N 2 1 400.611 3.564 20 0 HHADMP CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000488609066 999544631 /nfs/dbraw/zinc/54/46/31/999544631.db2.gz HHRRAJGXNURSML-HXUWFJFHSA-N 2 1 409.574 3.686 20 0 HHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000479913650 999646610 /nfs/dbraw/zinc/64/66/10/999646610.db2.gz OWALXMYFWOUCIN-UXHICEINSA-N 2 1 407.624 3.776 20 0 HHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000479913650 999646611 /nfs/dbraw/zinc/64/66/11/999646611.db2.gz OWALXMYFWOUCIN-UXHICEINSA-N 2 1 407.624 3.776 20 0 HHADMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000480134731 999726590 /nfs/dbraw/zinc/72/65/90/999726590.db2.gz GXUHBBRJLCNCHZ-LJQANCHMSA-N 2 1 419.591 3.531 20 0 HHADMP C[N@@H+](CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000489333068 999747272 /nfs/dbraw/zinc/74/72/72/999747272.db2.gz PXICZLVFBLCJEJ-JWQCQUIFSA-N 2 1 420.601 3.957 20 0 HHADMP C[NH+](CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000489333068 999747275 /nfs/dbraw/zinc/74/72/75/999747275.db2.gz PXICZLVFBLCJEJ-JWQCQUIFSA-N 2 1 420.601 3.957 20 0 HHADMP C[NH+](CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000489333068 999747276 /nfs/dbraw/zinc/74/72/76/999747276.db2.gz PXICZLVFBLCJEJ-JWQCQUIFSA-N 2 1 420.601 3.957 20 0 HHADMP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C[C@@H](C)C1 ZINC000489361474 999751946 /nfs/dbraw/zinc/75/19/46/999751946.db2.gz KEPFPGFOZNUHLW-DCLXLUIPSA-N 2 1 424.589 3.783 20 0 HHADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C[C@@H](C)C1 ZINC000489361474 999751947 /nfs/dbraw/zinc/75/19/47/999751947.db2.gz KEPFPGFOZNUHLW-DCLXLUIPSA-N 2 1 424.589 3.783 20 0 HHADMP C[C@@H]1C[C@H]1[NH+]1CCN(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C[C@@H](C)C1 ZINC000489361474 999751950 /nfs/dbraw/zinc/75/19/50/999751950.db2.gz KEPFPGFOZNUHLW-DCLXLUIPSA-N 2 1 424.589 3.783 20 0 HHADMP C[C@@H]1C[C@H]1[NH+]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C[C@@H](C)C1 ZINC000489361474 999751952 /nfs/dbraw/zinc/75/19/52/999751952.db2.gz KEPFPGFOZNUHLW-DCLXLUIPSA-N 2 1 424.589 3.783 20 0 HHADMP C[N@H+](CCOc1cccc(C[NH2+]Cc2ccc(Br)o2)c1)C1CCOCC1 ZINC000480359810 999779806 /nfs/dbraw/zinc/77/98/06/999779806.db2.gz UCZBSUSGHLWRFY-UHFFFAOYSA-N 2 1 423.351 3.822 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2ccc(Br)o2)c1)C1CCOCC1 ZINC000480359810 999779810 /nfs/dbraw/zinc/77/98/10/999779810.db2.gz UCZBSUSGHLWRFY-UHFFFAOYSA-N 2 1 423.351 3.822 20 0 HHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000480387206 999786573 /nfs/dbraw/zinc/78/65/73/999786573.db2.gz DOUWMPFSYKPRKP-VHCQPULKSA-N 2 1 408.586 3.878 20 0 HHADMP Cc1ccccc1[C@H](OC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000480387206 999786576 /nfs/dbraw/zinc/78/65/76/999786576.db2.gz DOUWMPFSYKPRKP-VHCQPULKSA-N 2 1 408.586 3.878 20 0 HHADMP Cc1ccccc1[C@H](OC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000480387206 999786579 /nfs/dbraw/zinc/78/65/79/999786579.db2.gz DOUWMPFSYKPRKP-VHCQPULKSA-N 2 1 408.586 3.878 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000489536383 999786974 /nfs/dbraw/zinc/78/69/74/999786974.db2.gz XPPBMFFKPWIVSM-BAGYTPMASA-N 2 1 410.562 3.626 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC000489543434 999788554 /nfs/dbraw/zinc/78/85/54/999788554.db2.gz GXGDHXYLPJPRNE-QPPBQGQZSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N(CC[N@H+](C)Cc2ccccc2)Cc2ccccc2)CC[NH+]1C ZINC000489543434 999788555 /nfs/dbraw/zinc/78/85/55/999788555.db2.gz GXGDHXYLPJPRNE-QPPBQGQZSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N(CC[N@@H+](C)Cc2ccccc2)Cc2ccccc2)CC[NH+]1C ZINC000489543434 999788556 /nfs/dbraw/zinc/78/85/56/999788556.db2.gz GXGDHXYLPJPRNE-QPPBQGQZSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@H]1C[C@H](NC(=O)N(CC[NH+](C)Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC000489543439 999788793 /nfs/dbraw/zinc/78/87/93/999788793.db2.gz GXGDHXYLPJPRNE-XUZZJYLKSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@H]1C[C@H](NC(=O)N(CC[N@H+](C)Cc2ccccc2)Cc2ccccc2)CC[NH+]1C ZINC000489543439 999788795 /nfs/dbraw/zinc/78/87/95/999788795.db2.gz GXGDHXYLPJPRNE-XUZZJYLKSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@H]1C[C@H](NC(=O)N(CC[N@@H+](C)Cc2ccccc2)Cc2ccccc2)CC[NH+]1C ZINC000489543439 999788796 /nfs/dbraw/zinc/78/87/96/999788796.db2.gz GXGDHXYLPJPRNE-XUZZJYLKSA-N 2 1 408.590 3.813 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000489683095 999816809 /nfs/dbraw/zinc/81/68/09/999816809.db2.gz JDKXFYSQDUAYOR-UHFFFAOYSA-N 2 1 409.618 3.915 20 0 HHADMP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000489682927 999816849 /nfs/dbraw/zinc/81/68/49/999816849.db2.gz ZKJIFZBEQHLCES-IBGZPJMESA-N 2 1 422.573 3.816 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000489808157 999842190 /nfs/dbraw/zinc/84/21/90/999842190.db2.gz BBQNSBJANRTTGY-WMZHIEFXSA-N 2 1 412.578 3.572 20 0 HHADMP CC[NH+]1CCC(NC(=O)N(CC[N@@H+](C)Cc2ccccc2)Cc2ccccc2)CC1 ZINC000489898594 999858231 /nfs/dbraw/zinc/85/82/31/999858231.db2.gz JWSKKCAMMAWPDJ-UHFFFAOYSA-N 2 1 408.590 3.815 20 0 HHADMP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480712233 999865788 /nfs/dbraw/zinc/86/57/88/999865788.db2.gz IROSPFDBQZRRLF-OAQYLSRUSA-N 2 1 401.595 3.678 20 0 HHADMP Cc1ccc([C@H]2C[C@@H](C)[N@H+](CC(=O)Nc3ccc(CN4CCOCC4)cc3)C2)cc1 ZINC000490046388 999884410 /nfs/dbraw/zinc/88/44/10/999884410.db2.gz VPAGYRFYXXQAJX-OFNKIYASSA-N 2 1 407.558 3.644 20 0 HHADMP C[C@@H]1C[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490633350 999986840 /nfs/dbraw/zinc/98/68/40/999986840.db2.gz ZYCJXLRBTBLPHQ-NQIIRXRSSA-N 2 1 413.528 3.822 20 0 HHADMP C[C@@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490799781 1000007949 /nfs/dbraw/zinc/00/79/49/1000007949.db2.gz SSEXTNNZIQRTGR-DENIHFKCSA-N 2 1 400.526 3.888 20 0 HHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000490911373 1000022354 /nfs/dbraw/zinc/02/23/54/1000022354.db2.gz NBSXFMGKSGRQLH-QRVBRYPASA-N 2 1 404.624 3.723 20 0 HHADMP C[C@@H]1CN(C(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@H+](C2CCC2)C1 ZINC000491123360 1000047656 /nfs/dbraw/zinc/04/76/56/1000047656.db2.gz KXRAJJOLINYZPY-JTHBVZDNSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H]1CN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC[NH+](C2CCC2)C1 ZINC000491123360 1000047657 /nfs/dbraw/zinc/04/76/57/1000047657.db2.gz KXRAJJOLINYZPY-JTHBVZDNSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H]1CN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC[NH+](C2CCC2)C1 ZINC000491123360 1000047658 /nfs/dbraw/zinc/04/76/58/1000047658.db2.gz KXRAJJOLINYZPY-JTHBVZDNSA-N 2 1 412.622 3.805 20 0 HHADMP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@H](c2ccccc2)c2ccccn2)cc1 ZINC000494046146 1000281746 /nfs/dbraw/zinc/28/17/46/1000281746.db2.gz CBKMRNMMFHXPIB-RUZDIDTESA-N 2 1 414.553 3.786 20 0 HHADMP O=C(N[C@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000504889002 1000429726 /nfs/dbraw/zinc/42/97/26/1000429726.db2.gz MLDGXQOUAXUTLT-DEOSSOPVSA-N 2 1 424.564 3.708 20 0 HHADMP O=C(N[C@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000504889002 1000429732 /nfs/dbraw/zinc/42/97/32/1000429732.db2.gz MLDGXQOUAXUTLT-DEOSSOPVSA-N 2 1 424.564 3.708 20 0 HHADMP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000504889002 1000429735 /nfs/dbraw/zinc/42/97/35/1000429735.db2.gz MLDGXQOUAXUTLT-DEOSSOPVSA-N 2 1 424.564 3.708 20 0 HHADMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000504889002 1000429739 /nfs/dbraw/zinc/42/97/39/1000429739.db2.gz MLDGXQOUAXUTLT-DEOSSOPVSA-N 2 1 424.564 3.708 20 0 HHADMP Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)[C@H]4CCC[N@H+]4C4CC4)cc3)CC2)c1 ZINC000494333765 1000438137 /nfs/dbraw/zinc/43/81/37/1000438137.db2.gz UEOXXMMBRXXCDX-RUZDIDTESA-N 2 1 418.585 3.883 20 0 HHADMP C[C@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[N@@H+]1CCc2sccc2C1 ZINC000504983192 1000488133 /nfs/dbraw/zinc/48/81/33/1000488133.db2.gz OCJQZRRANOWBJM-WIYYLYMNSA-N 2 1 412.603 3.631 20 0 HHADMP C[C@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[N@H+]1CCc2sccc2C1 ZINC000504983192 1000488136 /nfs/dbraw/zinc/48/81/36/1000488136.db2.gz OCJQZRRANOWBJM-WIYYLYMNSA-N 2 1 412.603 3.631 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000494900849 1000721055 /nfs/dbraw/zinc/72/10/55/1000721055.db2.gz BWXHIFLSWMTQDK-ZCNNSNEGSA-N 2 1 409.574 3.848 20 0 HHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccc(F)cc3)cc2)CC1 ZINC000494923571 1000732179 /nfs/dbraw/zinc/73/21/79/1000732179.db2.gz LYFZBCVZEVVLJW-DHLKQENFSA-N 2 1 411.565 3.831 20 0 HHADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)c1 ZINC000495055812 1000803205 /nfs/dbraw/zinc/80/32/05/1000803205.db2.gz KFCJQGPXZVFGGR-UHFFFAOYSA-N 2 1 423.601 3.661 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1csc(-c2cccc(C)c2)n1 ZINC000505802955 1001034224 /nfs/dbraw/zinc/03/42/24/1001034224.db2.gz SCWREUNMXBIDDI-OAQYLSRUSA-N 2 1 414.619 3.536 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)CC2)cs1 ZINC000505910827 1001095400 /nfs/dbraw/zinc/09/54/00/1001095400.db2.gz DDIGJLCDCBUHQS-ICSRJNTNSA-N 2 1 418.651 3.777 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)CC2)cs1 ZINC000505910827 1001095408 /nfs/dbraw/zinc/09/54/08/1001095408.db2.gz DDIGJLCDCBUHQS-ICSRJNTNSA-N 2 1 418.651 3.777 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC000506016050 1001164764 /nfs/dbraw/zinc/16/47/64/1001164764.db2.gz CMIQRRJDOIHYQW-NRFANRHFSA-N 2 1 401.501 3.522 20 0 HHADMP CN(c1ccccc1C[N@@H+](C)Cc1ccccc1N1CCOCC1)C1CC[NH+](C)CC1 ZINC000506152111 1001251172 /nfs/dbraw/zinc/25/11/72/1001251172.db2.gz BQMAIGFFIANJQL-UHFFFAOYSA-N 2 1 422.617 3.686 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000497318903 1001290541 /nfs/dbraw/zinc/29/05/41/1001290541.db2.gz LSSUCFIVOOYARW-IBGZPJMESA-N 2 1 420.557 3.526 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N3CCC(CCC[NH+]4CCCC4)CC3)CC2)[nH+]c1 ZINC000506302517 1001341205 /nfs/dbraw/zinc/34/12/05/1001341205.db2.gz VGBXJFAOGOOMOR-UHFFFAOYSA-N 2 1 413.610 3.656 20 0 HHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000506302885 1001341528 /nfs/dbraw/zinc/34/15/28/1001341528.db2.gz XJUXDRPLBFVHKO-JTHBVZDNSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000497452085 1001372725 /nfs/dbraw/zinc/37/27/25/1001372725.db2.gz SJERDWSTTRTIBI-IRLDBZIGSA-N 2 1 413.606 3.579 20 0 HHADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000497452085 1001372728 /nfs/dbraw/zinc/37/27/28/1001372728.db2.gz SJERDWSTTRTIBI-IRLDBZIGSA-N 2 1 413.606 3.579 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCC1(F)F ZINC000506511231 1001446093 /nfs/dbraw/zinc/44/60/93/1001446093.db2.gz OKPMWSSVXHDMJE-TZIWHRDSSA-N 2 1 407.549 3.915 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000506511231 1001446096 /nfs/dbraw/zinc/44/60/96/1001446096.db2.gz OKPMWSSVXHDMJE-TZIWHRDSSA-N 2 1 407.549 3.915 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000506511231 1001446098 /nfs/dbraw/zinc/44/60/98/1001446098.db2.gz OKPMWSSVXHDMJE-TZIWHRDSSA-N 2 1 407.549 3.915 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)[NH+](C)C ZINC000506932687 1001600840 /nfs/dbraw/zinc/60/08/40/1001600840.db2.gz KSTJPYWHCVCUCN-VWPQPMDRSA-N 2 1 416.610 3.594 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)[NH+](C)C ZINC000506932687 1001600843 /nfs/dbraw/zinc/60/08/43/1001600843.db2.gz KSTJPYWHCVCUCN-VWPQPMDRSA-N 2 1 416.610 3.594 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCC[C@H]4C[NH+](C)CC[C@H]43)cc2)C1 ZINC000498155334 1001666858 /nfs/dbraw/zinc/66/68/58/1001666858.db2.gz INTWGSHFZYZSSE-QEFHDYNCSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC[C@H]4C[N@H+](C)CC[C@H]43)cc2)C1 ZINC000498155334 1001666860 /nfs/dbraw/zinc/66/68/60/1001666860.db2.gz INTWGSHFZYZSSE-QEFHDYNCSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)cc2)C1 ZINC000498155334 1001666861 /nfs/dbraw/zinc/66/68/61/1001666861.db2.gz INTWGSHFZYZSSE-QEFHDYNCSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000506952212 1001725292 /nfs/dbraw/zinc/72/52/92/1001725292.db2.gz NUKVCIOAFQTVDI-FGZHOGPDSA-N 2 1 412.622 3.731 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000506952212 1001725295 /nfs/dbraw/zinc/72/52/95/1001725295.db2.gz NUKVCIOAFQTVDI-FGZHOGPDSA-N 2 1 412.622 3.731 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000506952212 1001725299 /nfs/dbraw/zinc/72/52/99/1001725299.db2.gz NUKVCIOAFQTVDI-FGZHOGPDSA-N 2 1 412.622 3.731 20 0 HHADMP COc1cccc([C@H]2[C@H](NC(=O)NCCC[NH2+]C3CCCCC3)CC[N@H+]2C2CC2)c1 ZINC000498555055 1001969939 /nfs/dbraw/zinc/96/99/39/1001969939.db2.gz NYJTZPHSYUZCEI-PKTZIBPZSA-N 2 1 414.594 3.585 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N2CCCC23CC[NH+](C)CC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000498663930 1002057371 /nfs/dbraw/zinc/05/73/71/1002057371.db2.gz PUXSCMFTNSNQCE-RTWAWAEBSA-N 2 1 420.548 3.758 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N2CCCC23CC[NH+](C)CC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000498663930 1002057380 /nfs/dbraw/zinc/05/73/80/1002057380.db2.gz PUXSCMFTNSNQCE-RTWAWAEBSA-N 2 1 420.548 3.758 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498686841 1002074891 /nfs/dbraw/zinc/07/48/91/1002074891.db2.gz YIHCCFZGLNBOEF-COPCDDAFSA-N 2 1 420.548 3.758 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498686841 1002074901 /nfs/dbraw/zinc/07/49/01/1002074901.db2.gz YIHCCFZGLNBOEF-COPCDDAFSA-N 2 1 420.548 3.758 20 0 HHADMP C[C@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498707572 1002091161 /nfs/dbraw/zinc/09/11/61/1002091161.db2.gz UOMXDJYAWMBEQM-NZQKXSOJSA-N 2 1 400.611 3.660 20 0 HHADMP O=C1c2ccccc2C(=O)N1CCCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000507518350 1002128521 /nfs/dbraw/zinc/12/85/21/1002128521.db2.gz CPWSJIYBEHIKLD-TUACAJSNSA-N 2 1 417.553 3.563 20 0 HHADMP O=C(CCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N1Cc2ccccc2C1 ZINC000507522679 1002131497 /nfs/dbraw/zinc/13/14/97/1002131497.db2.gz BNCIZNLPVSJOMA-CCDWMCETSA-N 2 1 403.570 3.809 20 0 HHADMP C/C=C/c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(OC)c1 ZINC000498851645 1002236274 /nfs/dbraw/zinc/23/62/74/1002236274.db2.gz RMXYBIIZFACNTP-UOKXHJNXSA-N 2 1 416.606 3.912 20 0 HHADMP C/C=C/c1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(OC)c1 ZINC000498851645 1002236281 /nfs/dbraw/zinc/23/62/81/1002236281.db2.gz RMXYBIIZFACNTP-UOKXHJNXSA-N 2 1 416.606 3.912 20 0 HHADMP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000498896810 1002287444 /nfs/dbraw/zinc/28/74/44/1002287444.db2.gz ORBQPLAGRIHWMV-GMAHTHKFSA-N 2 1 400.611 3.947 20 0 HHADMP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000498896808 1002287844 /nfs/dbraw/zinc/28/78/44/1002287844.db2.gz ORBQPLAGRIHWMV-GGAORHGYSA-N 2 1 400.611 3.947 20 0 HHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000498944809 1002343747 /nfs/dbraw/zinc/34/37/47/1002343747.db2.gz UOVZUNLECUELJH-AZUAARDMSA-N 2 1 407.352 3.958 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)cc1)C(C)C ZINC000507850267 1002388731 /nfs/dbraw/zinc/38/87/31/1002388731.db2.gz GKTQXLBEQUTIGV-UHFFFAOYSA-N 2 1 415.622 3.882 20 0 HHADMP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000499102912 1002494196 /nfs/dbraw/zinc/49/41/96/1002494196.db2.gz RWWPEEVHFFMJDR-JTHBVZDNSA-N 2 1 400.611 3.805 20 0 HHADMP O=C1COc2ccccc2N1CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499249160 1002645419 /nfs/dbraw/zinc/64/54/19/1002645419.db2.gz JXUCHWGCWYWCJH-DKUWSORSSA-N 2 1 405.542 3.587 20 0 HHADMP CN(C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000499634196 1003000479 /nfs/dbraw/zinc/00/04/79/1003000479.db2.gz TYRVAYDOPCGFFG-DEOSSOPVSA-N 2 1 423.626 3.900 20 0 HHADMP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508723140 1003163734 /nfs/dbraw/zinc/16/37/34/1003163734.db2.gz ZZQFMMDHYJTOAR-TUSQITKMSA-N 2 1 405.586 3.720 20 0 HHADMP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508723140 1003163727 /nfs/dbraw/zinc/16/37/27/1003163727.db2.gz ZZQFMMDHYJTOAR-TUSQITKMSA-N 2 1 405.586 3.720 20 0 HHADMP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1)[NH+](C)C ZINC000508869097 1003289650 /nfs/dbraw/zinc/28/96/50/1003289650.db2.gz GXBAGDVHSZGDLS-WMZHIEFXSA-N 2 1 410.562 3.943 20 0 HHADMP CC[NH+](CC)Cc1cccc(CNC(=O)NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000500130013 1003491010 /nfs/dbraw/zinc/49/10/10/1003491010.db2.gz BTDUTTHCUXEWRN-UHFFFAOYSA-N 2 1 408.590 3.776 20 0 HHADMP C[C@H]([NH2+]CCCN1CCN(c2ccccc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000509020029 1003492183 /nfs/dbraw/zinc/49/21/83/1003492183.db2.gz BHIOQPYHARNIQS-UKILVPOCSA-N 2 1 406.618 3.699 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C1 ZINC000500137292 1003497254 /nfs/dbraw/zinc/49/72/54/1003497254.db2.gz APELLRRKFKZSSU-NZQKXSOJSA-N 2 1 418.626 3.744 20 0 HHADMP Cc1ccccc1C[NH+]1CCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000500153773 1003509389 /nfs/dbraw/zinc/50/93/89/1003509389.db2.gz KJIOODSBTCUDPR-UHFFFAOYSA-N 2 1 406.574 3.618 20 0 HHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cnn(-c4ccccc4)c3)CC2)c1C ZINC000509068921 1003530247 /nfs/dbraw/zinc/53/02/47/1003530247.db2.gz MMXFEUVROQERFT-UHFFFAOYSA-N 2 1 419.573 3.989 20 0 HHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cnn(-c4ccccc4)c3)CC2)c1C ZINC000509068921 1003530238 /nfs/dbraw/zinc/53/02/38/1003530238.db2.gz MMXFEUVROQERFT-UHFFFAOYSA-N 2 1 419.573 3.989 20 0 HHADMP Brc1ccc2oc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)nc2c1 ZINC000509295453 1003690339 /nfs/dbraw/zinc/69/03/39/1003690339.db2.gz VLPAWGFJOSEGRE-UHFFFAOYSA-N 2 1 408.340 3.525 20 0 HHADMP CC1CC[NH+](C2CCC(NC(=O)N(C)CCC[N@@H+](C)Cc3ccco3)CC2)CC1 ZINC000500607428 1003824830 /nfs/dbraw/zinc/82/48/30/1003824830.db2.gz LMYWHSIOSANYKY-UHFFFAOYSA-N 2 1 404.599 3.786 20 0 HHADMP CC(C)[NH+](CC[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)C(C)C ZINC000509581528 1003959411 /nfs/dbraw/zinc/95/94/11/1003959411.db2.gz BJZWORYURPKOKA-UHFFFAOYSA-N 2 1 410.002 3.855 20 0 HHADMP C[NH+](C)CCCC1CCN(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)CC1 ZINC000500833529 1003990198 /nfs/dbraw/zinc/99/01/98/1003990198.db2.gz PBJLVAMGOMFRLX-UHFFFAOYSA-N 2 1 422.564 3.693 20 0 HHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nc4cc(Br)ccc4o3)CC2)C[C@H](C)O1 ZINC000509667365 1004015354 /nfs/dbraw/zinc/01/53/54/1004015354.db2.gz QUFMNSUBNCBRRL-GASCZTMLSA-N 2 1 422.367 3.912 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nc4cc(Br)ccc4o3)CC2)C[C@H](C)O1 ZINC000509667365 1004015364 /nfs/dbraw/zinc/01/53/64/1004015364.db2.gz QUFMNSUBNCBRRL-GASCZTMLSA-N 2 1 422.367 3.912 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCC[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000512102870 1004024854 /nfs/dbraw/zinc/02/48/54/1004024854.db2.gz ABFRLWOFGMKSTI-MDNUFGMLSA-N 2 1 400.611 3.707 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000512102870 1004024866 /nfs/dbraw/zinc/02/48/66/1004024866.db2.gz ABFRLWOFGMKSTI-MDNUFGMLSA-N 2 1 400.611 3.707 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000512102870 1004024875 /nfs/dbraw/zinc/02/48/75/1004024875.db2.gz ABFRLWOFGMKSTI-MDNUFGMLSA-N 2 1 400.611 3.707 20 0 HHADMP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@H]2C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000512132443 1004045980 /nfs/dbraw/zinc/04/59/80/1004045980.db2.gz SBTCJDPZCNGICA-MZKRTTBSSA-N 2 1 401.595 3.632 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@H]2C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000512132443 1004045990 /nfs/dbraw/zinc/04/59/90/1004045990.db2.gz SBTCJDPZCNGICA-MZKRTTBSSA-N 2 1 401.595 3.632 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000512132443 1004045998 /nfs/dbraw/zinc/04/59/98/1004045998.db2.gz SBTCJDPZCNGICA-MZKRTTBSSA-N 2 1 401.595 3.632 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000512132443 1004046003 /nfs/dbraw/zinc/04/60/03/1004046003.db2.gz SBTCJDPZCNGICA-MZKRTTBSSA-N 2 1 401.595 3.632 20 0 HHADMP CC[N@H+](Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCO[C@H](C)C3)c2)cc1)C1CC1 ZINC000512149171 1004058422 /nfs/dbraw/zinc/05/84/22/1004058422.db2.gz PCPFEFJAJVPQOL-HXUWFJFHSA-N 2 1 421.585 3.822 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCO[C@H](C)C3)c2)cc1)C1CC1 ZINC000512149171 1004058430 /nfs/dbraw/zinc/05/84/30/1004058430.db2.gz PCPFEFJAJVPQOL-HXUWFJFHSA-N 2 1 421.585 3.822 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1)C1CC1 ZINC000512149171 1004058438 /nfs/dbraw/zinc/05/84/38/1004058438.db2.gz PCPFEFJAJVPQOL-HXUWFJFHSA-N 2 1 421.585 3.822 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1)C1CC1 ZINC000512149171 1004058446 /nfs/dbraw/zinc/05/84/46/1004058446.db2.gz PCPFEFJAJVPQOL-HXUWFJFHSA-N 2 1 421.585 3.822 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000512160583 1004067056 /nfs/dbraw/zinc/06/70/56/1004067056.db2.gz XXWFIBRIVXIFLS-JOCHJYFZSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@H]1C[C@H](CCNC(=O)NCc2cccc(C[NH+](C)C)c2)C[N@H+]1Cc1ccccc1 ZINC000509744630 1004067165 /nfs/dbraw/zinc/06/71/65/1004067165.db2.gz GMGRYIRLKAETSB-RDPSFJRHSA-N 2 1 408.590 3.848 20 0 HHADMP Cn1cc[nH+]c1CC1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000512173301 1004076393 /nfs/dbraw/zinc/07/63/93/1004076393.db2.gz VIADDXYOICBQRL-JOCHJYFZSA-N 2 1 423.605 3.685 20 0 HHADMP Cn1cc[nH+]c1CC1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000512173301 1004076405 /nfs/dbraw/zinc/07/64/05/1004076405.db2.gz VIADDXYOICBQRL-JOCHJYFZSA-N 2 1 423.605 3.685 20 0 HHADMP Cc1nn2c(C[NH+]3CCC(C[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)c(C(C)C)nc2s1 ZINC000512176530 1004078991 /nfs/dbraw/zinc/07/89/91/1004078991.db2.gz AMBSBPFABBWQHF-HOTGVXAUSA-N 2 1 405.612 3.544 20 0 HHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3OCC(=O)N3CCCC3)C2)CC1 ZINC000512182519 1004085494 /nfs/dbraw/zinc/08/54/94/1004085494.db2.gz SFBDGKFKTYYYFC-QFIPXVFZSA-N 2 1 413.606 3.632 20 0 HHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3OCC(=O)N3CCCC3)C2)CC1 ZINC000512182519 1004085502 /nfs/dbraw/zinc/08/55/02/1004085502.db2.gz SFBDGKFKTYYYFC-QFIPXVFZSA-N 2 1 413.606 3.632 20 0 HHADMP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501029369 1004132466 /nfs/dbraw/zinc/13/24/66/1004132466.db2.gz HPVDVKHFINKYSR-NCJOGADSSA-N 2 1 410.606 3.703 20 0 HHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2nc3c(cccc3OC)s2)CC1 ZINC000512269055 1004169997 /nfs/dbraw/zinc/16/99/97/1004169997.db2.gz JKEJFGPKWYSEBX-UHFFFAOYSA-N 2 1 404.580 3.687 20 0 HHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2nc3c(cccc3OC)s2)CC1 ZINC000512269055 1004170003 /nfs/dbraw/zinc/17/00/03/1004170003.db2.gz JKEJFGPKWYSEBX-UHFFFAOYSA-N 2 1 404.580 3.687 20 0 HHADMP C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501071388 1004174468 /nfs/dbraw/zinc/17/44/68/1004174468.db2.gz WHOFESRHYMYXRS-UHFFFAOYSA-N 2 1 406.452 3.887 20 0 HHADMP CCC[N@H+](CC(=O)Nc1ccc(F)cc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512279158 1004180197 /nfs/dbraw/zinc/18/01/97/1004180197.db2.gz LJLYSAYIENMPCF-UHFFFAOYSA-N 2 1 417.504 3.691 20 0 HHADMP CCC[N@@H+](CC(=O)Nc1ccc(F)cc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512279158 1004180202 /nfs/dbraw/zinc/18/02/02/1004180202.db2.gz LJLYSAYIENMPCF-UHFFFAOYSA-N 2 1 417.504 3.691 20 0 HHADMP CCC[N@H+](CC(=O)N[C@@H](C)c1cccs1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512279283 1004180409 /nfs/dbraw/zinc/18/04/09/1004180409.db2.gz MCZZZKVUENZPFT-KRWDZBQOSA-N 2 1 415.607 3.713 20 0 HHADMP CCC[N@@H+](CC(=O)N[C@@H](C)c1cccs1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512279283 1004180414 /nfs/dbraw/zinc/18/04/14/1004180414.db2.gz MCZZZKVUENZPFT-KRWDZBQOSA-N 2 1 415.607 3.713 20 0 HHADMP CS(=O)(=O)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512280717 1004182399 /nfs/dbraw/zinc/18/23/99/1004182399.db2.gz PLWNYOJPMAQWPT-TZRRMPRUSA-N 2 1 412.599 3.622 20 0 HHADMP C[NH+](C)CCCC1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000501085166 1004190860 /nfs/dbraw/zinc/19/08/60/1004190860.db2.gz MSTXZUBIYPAQBM-CTNGQTDRSA-N 2 1 406.640 3.894 20 0 HHADMP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000512290034 1004192772 /nfs/dbraw/zinc/19/27/72/1004192772.db2.gz WXOASUWNOCCANH-GMKZXUHWSA-N 2 1 412.599 3.871 20 0 HHADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000501094901 1004200630 /nfs/dbraw/zinc/20/06/30/1004200630.db2.gz QOTCEDZWHGCSBQ-UHFFFAOYSA-N 2 1 409.603 3.670 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512322257 1004215565 /nfs/dbraw/zinc/21/55/65/1004215565.db2.gz IQFWTWRJEBNUNJ-NSHGMRRFSA-N 2 1 405.608 3.530 20 0 HHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000512322254 1004215785 /nfs/dbraw/zinc/21/57/85/1004215785.db2.gz IQFWTWRJEBNUNJ-BJLQDIEVSA-N 2 1 405.608 3.530 20 0 HHADMP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(OC)c1 ZINC000512324792 1004217618 /nfs/dbraw/zinc/21/76/18/1004217618.db2.gz SKTQBFKOHQWZHH-BZSNNMDCSA-N 2 1 403.567 3.664 20 0 HHADMP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(OC)c1 ZINC000512324796 1004217742 /nfs/dbraw/zinc/21/77/42/1004217742.db2.gz SKTQBFKOHQWZHH-RCCFBDPRSA-N 2 1 403.567 3.664 20 0 HHADMP CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000512339537 1004227947 /nfs/dbraw/zinc/22/79/47/1004227947.db2.gz WUBYFCMCZSDZLF-SFTDATJTSA-N 2 1 403.611 3.736 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccsc1 ZINC000501155905 1004240550 /nfs/dbraw/zinc/24/05/50/1004240550.db2.gz WNYSHXOKVGSZNQ-LEWJYISDSA-N 2 1 400.592 3.829 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccsc1 ZINC000501155905 1004240559 /nfs/dbraw/zinc/24/05/59/1004240559.db2.gz WNYSHXOKVGSZNQ-LEWJYISDSA-N 2 1 400.592 3.829 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CCC(Cc3nccn3C)CC2)C[N@H+]1Cc1ccccc1 ZINC000512418552 1004284556 /nfs/dbraw/zinc/28/45/56/1004284556.db2.gz PJAHEMMBXYQHRV-NFBKMPQASA-N 2 1 423.605 3.685 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512418552 1004284565 /nfs/dbraw/zinc/28/45/65/1004284565.db2.gz PJAHEMMBXYQHRV-NFBKMPQASA-N 2 1 423.605 3.685 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)C[N@H+]1Cc1ccccc1 ZINC000512418552 1004284572 /nfs/dbraw/zinc/28/45/72/1004284572.db2.gz PJAHEMMBXYQHRV-NFBKMPQASA-N 2 1 423.605 3.685 20 0 HHADMP C[C@H]1C[C@H](CCNC(=O)N2CCC(CC[NH+](C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000512429305 1004295763 /nfs/dbraw/zinc/29/57/63/1004295763.db2.gz FJLGDKHONUVADX-REWPJTCUSA-N 2 1 400.611 3.660 20 0 HHADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000501274614 1004327078 /nfs/dbraw/zinc/32/70/78/1004327078.db2.gz DXHGEVBMYREZBR-IBGZPJMESA-N 2 1 410.400 3.696 20 0 HHADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000512487086 1004337417 /nfs/dbraw/zinc/33/74/17/1004337417.db2.gz PXUNBVCGZAGZMP-RBBKRZOGSA-N 2 1 414.638 3.734 20 0 HHADMP CC[C@@H](CNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000501375361 1004375786 /nfs/dbraw/zinc/37/57/86/1004375786.db2.gz ALOJFCKPBFXUPO-REWPJTCUSA-N 2 1 400.611 3.635 20 0 HHADMP CC[C@@H](CNC(=O)NCCCC[NH+]1CCC[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000501375361 1004375794 /nfs/dbraw/zinc/37/57/94/1004375794.db2.gz ALOJFCKPBFXUPO-REWPJTCUSA-N 2 1 400.611 3.635 20 0 HHADMP CC[C@@H](CNC(=O)NCCCC[NH+]1CCC[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000501375361 1004375802 /nfs/dbraw/zinc/37/58/02/1004375802.db2.gz ALOJFCKPBFXUPO-REWPJTCUSA-N 2 1 400.611 3.635 20 0 HHADMP CC[C@H](CNC(=O)NCCCC[NH+]1CCC(C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000501377961 1004377031 /nfs/dbraw/zinc/37/70/31/1004377031.db2.gz OAFRMCXPLOCTTE-HSZRJFAPSA-N 2 1 400.611 3.635 20 0 HHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000501388900 1004384823 /nfs/dbraw/zinc/38/48/23/1004384823.db2.gz VLDFUBDMDRFMSI-SEIRJHJZSA-N 2 1 412.578 3.919 20 0 HHADMP CC[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)[NH+]1CCc2ccccc2C1 ZINC000501396525 1004391013 /nfs/dbraw/zinc/39/10/13/1004391013.db2.gz FFLBRDNKAXLXGT-DNQXCXABSA-N 2 1 406.574 3.522 20 0 HHADMP CC[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)[NH+]1CCc2ccccc2C1 ZINC000501396525 1004391019 /nfs/dbraw/zinc/39/10/19/1004391019.db2.gz FFLBRDNKAXLXGT-DNQXCXABSA-N 2 1 406.574 3.522 20 0 HHADMP CC[C@H](CNC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000501396525 1004391028 /nfs/dbraw/zinc/39/10/28/1004391028.db2.gz FFLBRDNKAXLXGT-DNQXCXABSA-N 2 1 406.574 3.522 20 0 HHADMP CC[C@H](CNC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000501396525 1004391037 /nfs/dbraw/zinc/39/10/37/1004391037.db2.gz FFLBRDNKAXLXGT-DNQXCXABSA-N 2 1 406.574 3.522 20 0 HHADMP C[NH+](C)CCN1CCC(C[NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000501398481 1004392129 /nfs/dbraw/zinc/39/21/29/1004392129.db2.gz JZJKUSHMWLAWIA-UHFFFAOYSA-N 2 1 401.545 3.960 20 0 HHADMP CN(C)C(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512634557 1004447033 /nfs/dbraw/zinc/44/70/33/1004447033.db2.gz DOCRSMKSXKJTKE-ZKMPZPQNSA-N 2 1 421.585 3.544 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCC4([NH+]5CCCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000512661175 1004472184 /nfs/dbraw/zinc/47/21/84/1004472184.db2.gz QFYNDDHECLMNKS-SDHOMARFSA-N 2 1 411.634 3.912 20 0 HHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CC4(N5CCCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000512661175 1004472188 /nfs/dbraw/zinc/47/21/88/1004472188.db2.gz QFYNDDHECLMNKS-SDHOMARFSA-N 2 1 411.634 3.912 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC4(N5CCCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000512661175 1004472193 /nfs/dbraw/zinc/47/21/93/1004472193.db2.gz QFYNDDHECLMNKS-SDHOMARFSA-N 2 1 411.634 3.912 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000512701025 1004503975 /nfs/dbraw/zinc/50/39/75/1004503975.db2.gz GYYDRCSUNSDGRJ-SZPZYZBQSA-N 2 1 408.590 3.651 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000512701025 1004503984 /nfs/dbraw/zinc/50/39/84/1004503984.db2.gz GYYDRCSUNSDGRJ-SZPZYZBQSA-N 2 1 408.590 3.651 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@H](C)[N@H+]3CCCC[C@H]3C)c(C)c2)CC1 ZINC000501549397 1004507682 /nfs/dbraw/zinc/50/76/82/1004507682.db2.gz IXWMNEPHKNVPJP-UXHICEINSA-N 2 1 401.599 3.521 20 0 HHADMP CC[NH+]1CCN(c2ccccc2NC(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000501560017 1004516736 /nfs/dbraw/zinc/51/67/36/1004516736.db2.gz CVWKJWOJEPIUED-UHFFFAOYSA-N 2 1 401.599 3.605 20 0 HHADMP C[N@H+](CCCNC(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1)C1CCCCC1 ZINC000501561240 1004518394 /nfs/dbraw/zinc/51/83/94/1004518394.db2.gz LCFADSMJTPKFGX-UHFFFAOYSA-N 2 1 404.574 3.698 20 0 HHADMP C[N@@H+](CCCNC(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1)C1CCCCC1 ZINC000501561240 1004518403 /nfs/dbraw/zinc/51/84/03/1004518403.db2.gz LCFADSMJTPKFGX-UHFFFAOYSA-N 2 1 404.574 3.698 20 0 HHADMP C[NH+](CCCNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)C1CCCCC1 ZINC000501561240 1004518406 /nfs/dbraw/zinc/51/84/06/1004518406.db2.gz LCFADSMJTPKFGX-UHFFFAOYSA-N 2 1 404.574 3.698 20 0 HHADMP C[NH+](CCCNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)C1CCCCC1 ZINC000501561240 1004518414 /nfs/dbraw/zinc/51/84/14/1004518414.db2.gz LCFADSMJTPKFGX-UHFFFAOYSA-N 2 1 404.574 3.698 20 0 HHADMP CCc1ccc([C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3C(F)(F)F)CC[NH2+]2)cc1 ZINC000512727578 1004521769 /nfs/dbraw/zinc/52/17/69/1004521769.db2.gz ITMAJYJEPLGYFV-QRVBRYPASA-N 2 1 411.512 3.631 20 0 HHADMP CCc1ccc([C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3C(F)(F)F)CC[NH2+]2)cc1 ZINC000512727578 1004521774 /nfs/dbraw/zinc/52/17/74/1004521774.db2.gz ITMAJYJEPLGYFV-QRVBRYPASA-N 2 1 411.512 3.631 20 0 HHADMP COc1cc(-c2ccccc2)ccc1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000512750037 1004535568 /nfs/dbraw/zinc/53/55/68/1004535568.db2.gz PCZUSMQIPYYXIH-UHFFFAOYSA-N 2 1 421.585 3.738 20 0 HHADMP COCC[N@@H+](C)CCCC1CCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)CC1 ZINC000501646287 1004573249 /nfs/dbraw/zinc/57/32/49/1004573249.db2.gz KMNZNXAWLOVMPU-DEOSSOPVSA-N 2 1 415.622 3.638 20 0 HHADMP COCC[NH+](C)CCCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000501646287 1004573256 /nfs/dbraw/zinc/57/32/56/1004573256.db2.gz KMNZNXAWLOVMPU-DEOSSOPVSA-N 2 1 415.622 3.638 20 0 HHADMP COCC[NH+](C)CCCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000501646287 1004573261 /nfs/dbraw/zinc/57/32/61/1004573261.db2.gz KMNZNXAWLOVMPU-DEOSSOPVSA-N 2 1 415.622 3.638 20 0 HHADMP C[C@@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000501810952 1004751323 /nfs/dbraw/zinc/75/13/23/1004751323.db2.gz UCBVFNDYXBJEPL-GBXCKJPGSA-N 2 1 406.574 3.570 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000513047996 1004776774 /nfs/dbraw/zinc/77/67/74/1004776774.db2.gz WSRSOOYWCQEGLK-DCEDVJGZSA-N 2 1 411.565 3.842 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000513047996 1004776781 /nfs/dbraw/zinc/77/67/81/1004776781.db2.gz WSRSOOYWCQEGLK-DCEDVJGZSA-N 2 1 411.565 3.842 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ncc(-c2ccccc2)s1 ZINC000510674627 1004792847 /nfs/dbraw/zinc/79/28/47/1004792847.db2.gz JMIFRVTULIYQCE-GOSISDBHSA-N 2 1 401.580 3.690 20 0 HHADMP Cc1cc(OCCC[C@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)ccc1Cl ZINC000510699097 1004805234 /nfs/dbraw/zinc/80/52/34/1004805234.db2.gz YYNGLBVUSISUBG-SFHVURJKSA-N 2 1 410.002 3.728 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000510835854 1004882434 /nfs/dbraw/zinc/88/24/34/1004882434.db2.gz GQJZCQVMNXQJFK-JOCHJYFZSA-N 2 1 400.611 3.707 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)C1 ZINC000510874931 1004904474 /nfs/dbraw/zinc/90/44/74/1004904474.db2.gz RQMZFOHEGIXRLE-KMFTYDHNSA-N 2 1 422.013 3.856 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccsc1 ZINC000510883093 1004909262 /nfs/dbraw/zinc/90/92/62/1004909262.db2.gz OCXBGQIGLKIIIZ-RTWAWAEBSA-N 2 1 414.619 3.951 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000513336077 1004916884 /nfs/dbraw/zinc/91/68/84/1004916884.db2.gz NFDUHXHOKWRWEE-OTWHNJEPSA-N 2 1 410.562 3.684 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000513336077 1004916889 /nfs/dbraw/zinc/91/68/89/1004916889.db2.gz NFDUHXHOKWRWEE-OTWHNJEPSA-N 2 1 410.562 3.684 20 0 HHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](Cc3ccccn3)c3cccnc3)CC2)oc1C ZINC000513343082 1004920049 /nfs/dbraw/zinc/92/00/49/1004920049.db2.gz MHZPXXMSGPKZHH-HSZRJFAPSA-N 2 1 405.546 3.867 20 0 HHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000510943958 1004946855 /nfs/dbraw/zinc/94/68/55/1004946855.db2.gz ILHSBPQOXFCCAF-GOSISDBHSA-N 2 1 418.607 3.934 20 0 HHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000510943959 1004946993 /nfs/dbraw/zinc/94/69/93/1004946993.db2.gz ILHSBPQOXFCCAF-SFHVURJKSA-N 2 1 418.607 3.934 20 0 HHADMP COCc1ccccc1/C=C(\C)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000510951210 1004950320 /nfs/dbraw/zinc/95/03/20/1004950320.db2.gz KVLWBJMYNTXIEH-WKDXJHLXSA-N 2 1 421.585 3.723 20 0 HHADMP C[C@H]([NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000511003779 1004975595 /nfs/dbraw/zinc/97/55/95/1004975595.db2.gz WSZRMZNDKKYQHJ-GPUOULLFSA-N 2 1 405.586 3.720 20 0 HHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cn(-c4ccccc4)nc3-c3cccs3)C2)CC1 ZINC000513467149 1004979255 /nfs/dbraw/zinc/97/92/55/1004979255.db2.gz QRTKMKRWTFYFLD-QFIPXVFZSA-N 2 1 421.614 3.813 20 0 HHADMP C[NH+]1CCC2(CCCN2C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000511015834 1004981092 /nfs/dbraw/zinc/98/10/92/1004981092.db2.gz MUMSFVWKYSOYOJ-IBGZPJMESA-N 2 1 424.511 3.550 20 0 HHADMP CCOc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)ccc1OCc1ccccc1 ZINC000513510014 1004997112 /nfs/dbraw/zinc/99/71/12/1004997112.db2.gz XONNMLQOLIOKAG-XMMPIXPASA-N 2 1 423.601 3.876 20 0 HHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)CC1 ZINC000502321444 1005010766 /nfs/dbraw/zinc/01/07/66/1005010766.db2.gz NWZMKALPLLOFIW-JOCHJYFZSA-N 2 1 407.606 3.741 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000511120814 1005028679 /nfs/dbraw/zinc/02/86/79/1005028679.db2.gz MXCAOANJIJQEOZ-DEOSSOPVSA-N 2 1 409.574 3.549 20 0 HHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)[C@@H]2CCC[C@@H]21 ZINC000513659786 1005070395 /nfs/dbraw/zinc/07/03/95/1005070395.db2.gz DFIYNZOZFXAOLQ-OHFALNGGSA-N 2 1 402.892 3.795 20 0 HHADMP C[C@H](NC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511230633 1005083072 /nfs/dbraw/zinc/08/30/72/1005083072.db2.gz RUZXEELCWCGPSC-ODGPQVTHSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@H](NC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511230633 1005083076 /nfs/dbraw/zinc/08/30/76/1005083076.db2.gz RUZXEELCWCGPSC-ODGPQVTHSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@H](NC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511230633 1005083082 /nfs/dbraw/zinc/08/30/82/1005083082.db2.gz RUZXEELCWCGPSC-ODGPQVTHSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1)C1=CC[NH+](C)CC1 ZINC000511246785 1005089636 /nfs/dbraw/zinc/08/96/36/1005089636.db2.gz FHCZGRJRKJECDR-KRWDZBQOSA-N 2 1 424.511 3.573 20 0 HHADMP C[C@H](NC(=O)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1)C1=CC[N@H+](C)CC1 ZINC000511246785 1005089640 /nfs/dbraw/zinc/08/96/40/1005089640.db2.gz FHCZGRJRKJECDR-KRWDZBQOSA-N 2 1 424.511 3.573 20 0 HHADMP C[C@H](NC(=O)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000511246785 1005089644 /nfs/dbraw/zinc/08/96/44/1005089644.db2.gz FHCZGRJRKJECDR-KRWDZBQOSA-N 2 1 424.511 3.573 20 0 HHADMP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511252659 1005092710 /nfs/dbraw/zinc/09/27/10/1005092710.db2.gz YKKNWQLILJADMG-OALUTQOASA-N 2 1 404.574 3.552 20 0 HHADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)[C@@H]2CCC[C@H]21 ZINC000513713122 1005092965 /nfs/dbraw/zinc/09/29/65/1005092965.db2.gz KSUGCHXFERAQFU-PCCBWWKXSA-N 2 1 406.412 3.876 20 0 HHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)[C@H]2CCC[C@@H]21 ZINC000513713601 1005093189 /nfs/dbraw/zinc/09/31/89/1005093189.db2.gz QJOIUCOMACWWSG-FSSWDIPSSA-N 2 1 417.550 3.589 20 0 HHADMP C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511289641 1005110030 /nfs/dbraw/zinc/11/00/30/1005110030.db2.gz QQCWQGONGLOIDC-NOXFTYBFSA-N 2 1 401.570 3.949 20 0 HHADMP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511289641 1005110035 /nfs/dbraw/zinc/11/00/35/1005110035.db2.gz QQCWQGONGLOIDC-NOXFTYBFSA-N 2 1 401.570 3.949 20 0 HHADMP C[C@H](NC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511289641 1005110044 /nfs/dbraw/zinc/11/00/44/1005110044.db2.gz QQCWQGONGLOIDC-NOXFTYBFSA-N 2 1 401.570 3.949 20 0 HHADMP C[C@H](NC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511289641 1005110047 /nfs/dbraw/zinc/11/00/47/1005110047.db2.gz QQCWQGONGLOIDC-NOXFTYBFSA-N 2 1 401.570 3.949 20 0 HHADMP C[C@H](NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511410260 1005164404 /nfs/dbraw/zinc/16/44/04/1005164404.db2.gz NTDRUGZQURRYRR-WWNPGLIZSA-N 2 1 412.622 3.503 20 0 HHADMP C[C@H](NC(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511410260 1005164407 /nfs/dbraw/zinc/16/44/07/1005164407.db2.gz NTDRUGZQURRYRR-WWNPGLIZSA-N 2 1 412.622 3.503 20 0 HHADMP C[C@H](NC(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511410260 1005164410 /nfs/dbraw/zinc/16/44/10/1005164410.db2.gz NTDRUGZQURRYRR-WWNPGLIZSA-N 2 1 412.622 3.503 20 0 HHADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000514019997 1005230980 /nfs/dbraw/zinc/23/09/80/1005230980.db2.gz KHUFPEWNTMJWOX-ROUUACIJSA-N 2 1 407.002 3.724 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000511600127 1005240416 /nfs/dbraw/zinc/24/04/16/1005240416.db2.gz RKFTUXWVBVXVLM-FGZHOGPDSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000511600127 1005240423 /nfs/dbraw/zinc/24/04/23/1005240423.db2.gz RKFTUXWVBVXVLM-FGZHOGPDSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000511600127 1005240427 /nfs/dbraw/zinc/24/04/27/1005240427.db2.gz RKFTUXWVBVXVLM-FGZHOGPDSA-N 2 1 400.611 3.564 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+](C)CC[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000502846393 1005242218 /nfs/dbraw/zinc/24/22/18/1005242218.db2.gz DLLVJGFCBLTAFY-QFBILLFUSA-N 2 1 414.516 3.824 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)C1 ZINC000502856234 1005245742 /nfs/dbraw/zinc/24/57/42/1005245742.db2.gz AGWIVYCQPYTGKC-FQEVSTJZSA-N 2 1 400.611 3.635 20 0 HHADMP C[C@H]1CCC[NH+](CCCCNC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000502856234 1005245744 /nfs/dbraw/zinc/24/57/44/1005245744.db2.gz AGWIVYCQPYTGKC-FQEVSTJZSA-N 2 1 400.611 3.635 20 0 HHADMP C[C@H]1CCC[NH+](CCCCNC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)C1 ZINC000502856234 1005245749 /nfs/dbraw/zinc/24/57/49/1005245749.db2.gz AGWIVYCQPYTGKC-FQEVSTJZSA-N 2 1 400.611 3.635 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCC1 ZINC000502863936 1005249124 /nfs/dbraw/zinc/24/91/24/1005249124.db2.gz SFMRPCIGEBGTGO-IFMALSPDSA-N 2 1 416.610 3.643 20 0 HHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000514105987 1005268143 /nfs/dbraw/zinc/26/81/43/1005268143.db2.gz VGUKOQZJXKABGV-LJQANCHMSA-N 2 1 405.542 3.624 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000514108114 1005269169 /nfs/dbraw/zinc/26/91/69/1005269169.db2.gz VJQOGGHXZVOELL-GGAORHGYSA-N 2 1 415.626 3.732 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000514108114 1005269174 /nfs/dbraw/zinc/26/91/74/1005269174.db2.gz VJQOGGHXZVOELL-GGAORHGYSA-N 2 1 415.626 3.732 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000514108114 1005269178 /nfs/dbraw/zinc/26/91/78/1005269178.db2.gz VJQOGGHXZVOELL-GGAORHGYSA-N 2 1 415.626 3.732 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000514123598 1005276580 /nfs/dbraw/zinc/27/65/80/1005276580.db2.gz WAKVWZOWWLOUSN-WOJBJXKFSA-N 2 1 406.640 3.914 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000514123598 1005276584 /nfs/dbraw/zinc/27/65/84/1005276584.db2.gz WAKVWZOWWLOUSN-WOJBJXKFSA-N 2 1 406.640 3.914 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000514123598 1005276588 /nfs/dbraw/zinc/27/65/88/1005276588.db2.gz WAKVWZOWWLOUSN-WOJBJXKFSA-N 2 1 406.640 3.914 20 0 HHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000514242999 1005329703 /nfs/dbraw/zinc/32/97/03/1005329703.db2.gz PQJZPPYKHAWGCE-XMMPIXPASA-N 2 1 403.526 3.517 20 0 HHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000503066844 1005335657 /nfs/dbraw/zinc/33/56/57/1005335657.db2.gz DAUXUSDJPPOUPD-QGZVFWFLSA-N 2 1 400.592 3.535 20 0 HHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000503066844 1005335663 /nfs/dbraw/zinc/33/56/63/1005335663.db2.gz DAUXUSDJPPOUPD-QGZVFWFLSA-N 2 1 400.592 3.535 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000503083623 1005343071 /nfs/dbraw/zinc/34/30/71/1005343071.db2.gz CTTMJVPZRVYRMF-BHIFYINESA-N 2 1 424.614 3.774 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000503083623 1005343074 /nfs/dbraw/zinc/34/30/74/1005343074.db2.gz CTTMJVPZRVYRMF-BHIFYINESA-N 2 1 424.614 3.774 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000503083623 1005343077 /nfs/dbraw/zinc/34/30/77/1005343077.db2.gz CTTMJVPZRVYRMF-BHIFYINESA-N 2 1 424.614 3.774 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000503083623 1005343080 /nfs/dbraw/zinc/34/30/80/1005343080.db2.gz CTTMJVPZRVYRMF-BHIFYINESA-N 2 1 424.614 3.774 20 0 HHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000503088567 1005344294 /nfs/dbraw/zinc/34/42/94/1005344294.db2.gz SNEYHXUTKQCYCT-MRXNPFEDSA-N 2 1 406.456 3.913 20 0 HHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000503088567 1005344295 /nfs/dbraw/zinc/34/42/95/1005344295.db2.gz SNEYHXUTKQCYCT-MRXNPFEDSA-N 2 1 406.456 3.913 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[N@@H+]1CCc2sccc2C1 ZINC000503328056 1005391071 /nfs/dbraw/zinc/39/10/71/1005391071.db2.gz HNNOGQXFEQHPKU-PMACEKPBSA-N 2 1 418.651 3.792 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[N@H+]1CCc2sccc2C1 ZINC000503328056 1005391072 /nfs/dbraw/zinc/39/10/72/1005391072.db2.gz HNNOGQXFEQHPKU-PMACEKPBSA-N 2 1 418.651 3.792 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)c1 ZINC000503327805 1005391079 /nfs/dbraw/zinc/39/10/79/1005391079.db2.gz GOEFPCNMBZXSFU-DEOSSOPVSA-N 2 1 408.590 3.502 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000503327805 1005391082 /nfs/dbraw/zinc/39/10/82/1005391082.db2.gz GOEFPCNMBZXSFU-DEOSSOPVSA-N 2 1 408.590 3.502 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000503327805 1005391084 /nfs/dbraw/zinc/39/10/84/1005391084.db2.gz GOEFPCNMBZXSFU-DEOSSOPVSA-N 2 1 408.590 3.502 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000503401704 1005408916 /nfs/dbraw/zinc/40/89/16/1005408916.db2.gz QWDIRBCFTQGISQ-AOHZBQACSA-N 2 1 412.622 3.975 20 0 HHADMP C[NH+](C)C1(CNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCCCCC1 ZINC000503458949 1005426603 /nfs/dbraw/zinc/42/66/03/1005426603.db2.gz HXKJWLHPRQADDZ-QFIPXVFZSA-N 2 1 400.611 3.505 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000503466331 1005429164 /nfs/dbraw/zinc/42/91/64/1005429164.db2.gz STRYUALRAWNIKA-BGYRXZFFSA-N 2 1 400.611 3.696 20 0 HHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cn(-c4ccccc4)nc3-c3ccccc3)C2)CC1 ZINC000503619562 1005466796 /nfs/dbraw/zinc/46/67/96/1005466796.db2.gz YELVJWVZQQVHHR-RUZDIDTESA-N 2 1 415.585 3.751 20 0 HHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)NCc3cccc(C[NH+](C)C)c3)CC2)cc1 ZINC000504219251 1005575775 /nfs/dbraw/zinc/57/57/75/1005575775.db2.gz ILHBIPGBOAWTAB-UHFFFAOYSA-N 2 1 408.590 3.899 20 0 HHADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000504352052 1005604521 /nfs/dbraw/zinc/60/45/21/1005604521.db2.gz QJLVXWDFBBIEPQ-RPWUZVMVSA-N 2 1 418.585 3.730 20 0 HHADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000504352052 1005604523 /nfs/dbraw/zinc/60/45/23/1005604523.db2.gz QJLVXWDFBBIEPQ-RPWUZVMVSA-N 2 1 418.585 3.730 20 0 HHADMP C[C@@H](C[NH+](C)C)NC(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000504380053 1005612183 /nfs/dbraw/zinc/61/21/83/1005612183.db2.gz ADBUEAPDUYHHFJ-XJKSGUPXSA-N 2 1 408.896 3.515 20 0 HHADMP C[C@@H](C[NH+](C)C)NC(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000504380053 1005612187 /nfs/dbraw/zinc/61/21/87/1005612187.db2.gz ADBUEAPDUYHHFJ-XJKSGUPXSA-N 2 1 408.896 3.515 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000534055145 1006025371 /nfs/dbraw/zinc/02/53/71/1006025371.db2.gz RXWAPBBHCBLSND-SFTDATJTSA-N 2 1 407.002 3.897 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000534055145 1006025382 /nfs/dbraw/zinc/02/53/82/1006025382.db2.gz RXWAPBBHCBLSND-SFTDATJTSA-N 2 1 407.002 3.897 20 0 HHADMP Cc1nc2ccccn2c(=O)c1CCN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000514635765 1006064634 /nfs/dbraw/zinc/06/46/34/1006064634.db2.gz XZJUKLKOXGUHJL-UPVQGACJSA-N 2 1 416.569 3.532 20 0 HHADMP Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000514635765 1006064645 /nfs/dbraw/zinc/06/46/45/1006064645.db2.gz XZJUKLKOXGUHJL-UPVQGACJSA-N 2 1 416.569 3.532 20 0 HHADMP Cc1nc2ccccn2c(=O)c1CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000514635765 1006064658 /nfs/dbraw/zinc/06/46/58/1006064658.db2.gz XZJUKLKOXGUHJL-UPVQGACJSA-N 2 1 416.569 3.532 20 0 HHADMP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000534124281 1006098342 /nfs/dbraw/zinc/09/83/42/1006098342.db2.gz AIHTWMLKYGQANF-HJNYFJLDSA-N 2 1 412.965 3.509 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000534124281 1006098357 /nfs/dbraw/zinc/09/83/57/1006098357.db2.gz AIHTWMLKYGQANF-HJNYFJLDSA-N 2 1 412.965 3.509 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000534124281 1006098371 /nfs/dbraw/zinc/09/83/71/1006098371.db2.gz AIHTWMLKYGQANF-HJNYFJLDSA-N 2 1 412.965 3.509 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000534124281 1006098383 /nfs/dbraw/zinc/09/83/83/1006098383.db2.gz AIHTWMLKYGQANF-HJNYFJLDSA-N 2 1 412.965 3.509 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[NH+](C)C ZINC000531317102 1006117403 /nfs/dbraw/zinc/11/74/03/1006117403.db2.gz KKEPQVMFTPZKOX-VQTJNVASSA-N 2 1 418.969 3.553 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000531455225 1006207766 /nfs/dbraw/zinc/20/77/66/1006207766.db2.gz RFKJEFJPNWWCPM-NZQKXSOJSA-N 2 1 406.574 3.633 20 0 HHADMP COc1ccc(NC(=O)C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1OC ZINC000534225084 1006221062 /nfs/dbraw/zinc/22/10/62/1006221062.db2.gz DDUNFBDTZULBOH-UHFFFAOYSA-N 2 1 423.557 3.630 20 0 HHADMP COc1ccc(NC(=O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1OC ZINC000534225084 1006221068 /nfs/dbraw/zinc/22/10/68/1006221068.db2.gz DDUNFBDTZULBOH-UHFFFAOYSA-N 2 1 423.557 3.630 20 0 HHADMP O=c1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nc2ccc(Cl)cn12 ZINC000534230469 1006229455 /nfs/dbraw/zinc/22/94/55/1006229455.db2.gz ZWSCQXILQWOOHV-UHFFFAOYSA-N 2 1 422.960 3.836 20 0 HHADMP COc1cccc(CNC(=O)[C@@H](C)[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000534232095 1006232790 /nfs/dbraw/zinc/23/27/90/1006232790.db2.gz UWAWUQMCHVROCM-OAQYLSRUSA-N 2 1 421.585 3.688 20 0 HHADMP Cc1cc(NC(=O)C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n(C(C)(C)C)n1 ZINC000534232882 1006233738 /nfs/dbraw/zinc/23/37/38/1006233738.db2.gz RHJOQOFYZWSMIA-UHFFFAOYSA-N 2 1 423.605 3.873 20 0 HHADMP Cc1cc(NC(=O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n(C(C)(C)C)n1 ZINC000534232882 1006233745 /nfs/dbraw/zinc/23/37/45/1006233745.db2.gz RHJOQOFYZWSMIA-UHFFFAOYSA-N 2 1 423.605 3.873 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000531621025 1006310948 /nfs/dbraw/zinc/31/09/48/1006310948.db2.gz XUSPRESCOHSXHB-WIVXBSKCSA-N 2 1 420.601 3.566 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000531621025 1006310972 /nfs/dbraw/zinc/31/09/72/1006310972.db2.gz XUSPRESCOHSXHB-WIVXBSKCSA-N 2 1 420.601 3.566 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000531621025 1006310984 /nfs/dbraw/zinc/31/09/84/1006310984.db2.gz XUSPRESCOHSXHB-WIVXBSKCSA-N 2 1 420.601 3.566 20 0 HHADMP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000531696759 1006360252 /nfs/dbraw/zinc/36/02/52/1006360252.db2.gz AJGMAICBZKHTRF-CYBMUJFWSA-N 2 1 421.891 3.512 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CCC(C(=O)N3CCSCC3)CC2)cc1 ZINC000531706680 1006368393 /nfs/dbraw/zinc/36/83/93/1006368393.db2.gz ULFJDSIRTUTGJP-MDMXATFFSA-N 2 1 412.603 3.966 20 0 HHADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000531721235 1006378645 /nfs/dbraw/zinc/37/86/45/1006378645.db2.gz QFQAUGQIOXCBLB-CJFMBICVSA-N 2 1 409.574 3.754 20 0 HHADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000531721235 1006378651 /nfs/dbraw/zinc/37/86/51/1006378651.db2.gz QFQAUGQIOXCBLB-CJFMBICVSA-N 2 1 409.574 3.754 20 0 HHADMP Clc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(-n2cncn2)c1 ZINC000515559966 1006535727 /nfs/dbraw/zinc/53/57/27/1006535727.db2.gz XHSPDEHVTPCRFO-TZIWHRDSSA-N 2 1 407.949 3.875 20 0 HHADMP Clc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(-n2cncn2)c1 ZINC000515559966 1006535734 /nfs/dbraw/zinc/53/57/34/1006535734.db2.gz XHSPDEHVTPCRFO-TZIWHRDSSA-N 2 1 407.949 3.875 20 0 HHADMP Clc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(-n2cncn2)c1 ZINC000515559966 1006535743 /nfs/dbraw/zinc/53/57/43/1006535743.db2.gz XHSPDEHVTPCRFO-TZIWHRDSSA-N 2 1 407.949 3.875 20 0 HHADMP Clc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(-n2cncn2)c1 ZINC000515559966 1006535753 /nfs/dbraw/zinc/53/57/53/1006535753.db2.gz XHSPDEHVTPCRFO-TZIWHRDSSA-N 2 1 407.949 3.875 20 0 HHADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531976239 1006555393 /nfs/dbraw/zinc/55/53/93/1006555393.db2.gz AJXJSYFRDZFGSC-CJFMBICVSA-N 2 1 409.574 3.754 20 0 HHADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531976239 1006555404 /nfs/dbraw/zinc/55/54/04/1006555404.db2.gz AJXJSYFRDZFGSC-CJFMBICVSA-N 2 1 409.574 3.754 20 0 HHADMP CC[C@H](CNC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000515790542 1006673510 /nfs/dbraw/zinc/67/35/10/1006673510.db2.gz LNZFKJFHAXBNRS-PKTZIBPZSA-N 2 1 412.553 3.565 20 0 HHADMP CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1 ZINC000515799526 1006680256 /nfs/dbraw/zinc/68/02/56/1006680256.db2.gz ZCFDTUOTCHRZRB-UHFFFAOYSA-N 2 1 424.589 3.725 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000515820134 1006697395 /nfs/dbraw/zinc/69/73/95/1006697395.db2.gz AAGRUCCMUMPLJY-IBGZPJMESA-N 2 1 400.611 3.981 20 0 HHADMP C[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)C[NH+]1CCCCC1 ZINC000515824121 1006701025 /nfs/dbraw/zinc/70/10/25/1006701025.db2.gz HYKGMQIKAVCEPR-LJQANCHMSA-N 2 1 407.002 3.679 20 0 HHADMP C[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)C[NH+]1CCCCC1 ZINC000515824121 1006701037 /nfs/dbraw/zinc/70/10/37/1006701037.db2.gz HYKGMQIKAVCEPR-LJQANCHMSA-N 2 1 407.002 3.679 20 0 HHADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cnn(Cc2ccccc2)c1 ZINC000532187960 1006706006 /nfs/dbraw/zinc/70/60/06/1006706006.db2.gz PKHVGLARDOOCRJ-DENIHFKCSA-N 2 1 409.603 3.632 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)[C@H](C)C1 ZINC000532223661 1006732258 /nfs/dbraw/zinc/73/22/58/1006732258.db2.gz RPWBRLRIIPEVMS-GCJKJVERSA-N 2 1 422.013 3.671 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000532249823 1006749064 /nfs/dbraw/zinc/74/90/64/1006749064.db2.gz LXZAJMHGIVEEND-FGSXEWAUSA-N 2 1 401.576 3.619 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000532249823 1006749084 /nfs/dbraw/zinc/74/90/84/1006749084.db2.gz LXZAJMHGIVEEND-FGSXEWAUSA-N 2 1 401.576 3.619 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000532249825 1006749359 /nfs/dbraw/zinc/74/93/59/1006749359.db2.gz LXZAJMHGIVEEND-NPPFBWRTSA-N 2 1 401.576 3.619 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000532249825 1006749370 /nfs/dbraw/zinc/74/93/70/1006749370.db2.gz LXZAJMHGIVEEND-NPPFBWRTSA-N 2 1 401.576 3.619 20 0 HHADMP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000532393461 1006841936 /nfs/dbraw/zinc/84/19/36/1006841936.db2.gz RSSGNOILGYJIRJ-GOSISDBHSA-N 2 1 408.377 3.646 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCCc2ccccc2Br)CC1 ZINC000532447722 1006890316 /nfs/dbraw/zinc/89/03/16/1006890316.db2.gz XJHXGHITHPJGCU-UHFFFAOYSA-N 2 1 417.351 3.557 20 0 HHADMP C[NH+](C)C1(CNC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCCC1 ZINC000534943341 1006985091 /nfs/dbraw/zinc/98/50/91/1006985091.db2.gz UHXBRLPIGQLWBI-LPHOPBHVSA-N 2 1 410.965 3.646 20 0 HHADMP Cc1ccc(-n2cc(C[N@@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000538723187 1006999199 /nfs/dbraw/zinc/99/91/99/1006999199.db2.gz NVLYTHQMYPDAJY-XUZZJYLKSA-N 2 1 423.649 3.936 20 0 HHADMP Cc1ccc(-n2cc(C[N@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000538723187 1006999211 /nfs/dbraw/zinc/99/92/11/1006999211.db2.gz NVLYTHQMYPDAJY-XUZZJYLKSA-N 2 1 423.649 3.936 20 0 HHADMP C[N@H+](CCNC(=O)C1CC[NH+](Cc2cccc(Cl)c2F)CC1)Cc1ccccc1 ZINC000538735271 1007017177 /nfs/dbraw/zinc/01/71/77/1007017177.db2.gz LYQMOATWNJQGME-UHFFFAOYSA-N 2 1 417.956 3.939 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2cccc(Cl)c2F)CC1)Cc1ccccc1 ZINC000538735271 1007017191 /nfs/dbraw/zinc/01/71/91/1007017191.db2.gz LYQMOATWNJQGME-UHFFFAOYSA-N 2 1 417.956 3.939 20 0 HHADMP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534965520 1007017344 /nfs/dbraw/zinc/01/73/44/1007017344.db2.gz WSTKMHCJGWFMHG-FQEVSTJZSA-N 2 1 420.557 3.711 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2cc3ccccc3o2)CC1)Cc1ccccc1 ZINC000532623350 1007046141 /nfs/dbraw/zinc/04/61/41/1007046141.db2.gz NZNGWXVSYOUPRS-UHFFFAOYSA-N 2 1 405.542 3.893 20 0 HHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000532627444 1007049308 /nfs/dbraw/zinc/04/93/08/1007049308.db2.gz RTAOQPMGTOYTRM-VQTJNVASSA-N 2 1 421.379 3.582 20 0 HHADMP C[NH+](CCCC[N@H+](C)Cc1ccc2c(c1)OCCO2)Cc1ccc2c(c1)OCCO2 ZINC000535010337 1007064600 /nfs/dbraw/zinc/06/46/00/1007064600.db2.gz LNDLGROENJHOES-UHFFFAOYSA-N 2 1 412.530 3.573 20 0 HHADMP COc1ccc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1Br ZINC000535085310 1007099531 /nfs/dbraw/zinc/09/95/31/1007099531.db2.gz ICZPOZAFFLKKJU-HZPDHXFCSA-N 2 1 411.384 3.779 20 0 HHADMP C[C@H]1CO[C@@H](c2noc(-c3ccccc3OCC[NH+](C)C)n2)C[N@@H+]1Cc1ccccc1 ZINC000516512428 1007122293 /nfs/dbraw/zinc/12/22/93/1007122293.db2.gz UGJVXRUBCOTGAM-PGRDOPGGSA-N 2 1 422.529 3.639 20 0 HHADMP C[C@H]1CO[C@@H](c2noc(-c3ccccc3OCC[NH+](C)C)n2)C[N@H+]1Cc1ccccc1 ZINC000516512428 1007122299 /nfs/dbraw/zinc/12/22/99/1007122299.db2.gz UGJVXRUBCOTGAM-PGRDOPGGSA-N 2 1 422.529 3.639 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000516581645 1007166929 /nfs/dbraw/zinc/16/69/29/1007166929.db2.gz HNHRFVTWCULQJE-SIKLNZKXSA-N 2 1 412.553 3.734 20 0 HHADMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2cccc(CSc3ccccn3)c2)CC1 ZINC000532926012 1007298486 /nfs/dbraw/zinc/29/84/86/1007298486.db2.gz BINNLVPJJGKXGD-UHFFFAOYSA-N 2 1 412.603 3.976 20 0 HHADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2cccc(NC(=O)c3ccc(OC)cc3)c2)[C@H](C)C1 ZINC000539083143 1007372885 /nfs/dbraw/zinc/37/28/85/1007372885.db2.gz WPRMWCZDIBOHQY-WZONZLPQSA-N 2 1 411.546 3.646 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000533010669 1007374645 /nfs/dbraw/zinc/37/46/45/1007374645.db2.gz VTDKNVIMDJJGBF-DZFGPLHGSA-N 2 1 404.986 3.601 20 0 HHADMP O=c1ccccn1Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000539093702 1007383232 /nfs/dbraw/zinc/38/32/32/1007383232.db2.gz OIXITWINFSSOSL-UHFFFAOYSA-N 2 1 419.544 3.832 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)[C@@H]1c1ccccc1 ZINC000535340262 1007393167 /nfs/dbraw/zinc/39/31/67/1007393167.db2.gz MKPNNDPRTMLFEX-COPCDDAFSA-N 2 1 412.603 3.705 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H]1c1ccccc1 ZINC000535340262 1007393175 /nfs/dbraw/zinc/39/31/75/1007393175.db2.gz MKPNNDPRTMLFEX-COPCDDAFSA-N 2 1 412.603 3.705 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)[C@@H]1c1ccccc1 ZINC000535340262 1007393188 /nfs/dbraw/zinc/39/31/88/1007393188.db2.gz MKPNNDPRTMLFEX-COPCDDAFSA-N 2 1 412.603 3.705 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cccs1 ZINC000517101023 1007412255 /nfs/dbraw/zinc/41/22/55/1007412255.db2.gz MMRGCZUYNZTNFE-IBGZPJMESA-N 2 1 400.592 3.657 20 0 HHADMP CC(C)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000539163865 1007464566 /nfs/dbraw/zinc/46/45/66/1007464566.db2.gz JWQKLMVNZVPLJG-HSZRJFAPSA-N 2 1 408.546 3.768 20 0 HHADMP COc1cccc([C@@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000539228695 1007521373 /nfs/dbraw/zinc/52/13/73/1007521373.db2.gz FRGDLDPVYVCXBX-VGOFRKELSA-N 2 1 415.965 3.953 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000533181520 1007522467 /nfs/dbraw/zinc/52/24/67/1007522467.db2.gz CCMGJOHVXXOKQQ-HXUWFJFHSA-N 2 1 402.583 3.747 20 0 HHADMP C[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000535503056 1007559475 /nfs/dbraw/zinc/55/94/75/1007559475.db2.gz CDQXUAVNISHWFU-RTWAWAEBSA-N 2 1 404.986 3.791 20 0 HHADMP C[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000535503056 1007559484 /nfs/dbraw/zinc/55/94/84/1007559484.db2.gz CDQXUAVNISHWFU-RTWAWAEBSA-N 2 1 404.986 3.791 20 0 HHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2c1cc(Br)cc2Cl ZINC000535508658 1007564403 /nfs/dbraw/zinc/56/44/03/1007564403.db2.gz RRBKQBQDPXOMSR-KSSFIOAISA-N 2 1 401.776 3.916 20 0 HHADMP O=C(C[NH2+]C1(c2ccc(F)cc2F)CCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000539358453 1007659236 /nfs/dbraw/zinc/65/92/36/1007659236.db2.gz PQSXOAWTWCSKBI-UHFFFAOYSA-N 2 1 413.512 3.846 20 0 HHADMP C[C@H](CNC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C[NH+]1CCCCC1 ZINC000535654032 1007665890 /nfs/dbraw/zinc/66/58/90/1007665890.db2.gz DPUXVXZWEOHEKY-HGHGUNKESA-N 2 1 424.992 3.893 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1F ZINC000535673455 1007694376 /nfs/dbraw/zinc/69/43/76/1007694376.db2.gz ZAFXAWVWZQGOGR-LAUBAEHRSA-N 2 1 418.582 3.831 20 0 HHADMP CCC[N@H+](Cc1cc(C(=O)OC)oc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533382407 1007695580 /nfs/dbraw/zinc/69/55/80/1007695580.db2.gz LVXOBHMMJFHSEX-UHFFFAOYSA-N 2 1 400.523 3.662 20 0 HHADMP CCC[N@@H+](Cc1cc(C(=O)OC)oc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533382407 1007695584 /nfs/dbraw/zinc/69/55/84/1007695584.db2.gz LVXOBHMMJFHSEX-UHFFFAOYSA-N 2 1 400.523 3.662 20 0 HHADMP C[C@@H](C(=O)NCCc1ccccc1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535680700 1007709748 /nfs/dbraw/zinc/70/97/48/1007709748.db2.gz LJRQITWIVUDYSN-QFIPXVFZSA-N 2 1 405.586 3.722 20 0 HHADMP Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000533408931 1007718815 /nfs/dbraw/zinc/71/88/15/1007718815.db2.gz ASNJBQQAMQDVIU-UHFFFAOYSA-N 2 1 411.594 3.788 20 0 HHADMP Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000533408931 1007718830 /nfs/dbraw/zinc/71/88/30/1007718830.db2.gz ASNJBQQAMQDVIU-UHFFFAOYSA-N 2 1 411.594 3.788 20 0 HHADMP CC(C)[NH+](CCNC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000535700543 1007737662 /nfs/dbraw/zinc/73/76/62/1007737662.db2.gz LUUHTQVREJEQKN-XLIONFOSSA-N 2 1 412.981 3.890 20 0 HHADMP CC[N@@H+]1CC[C@H]([NH+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C[C@@H]1C ZINC000533447083 1007762538 /nfs/dbraw/zinc/76/25/38/1007762538.db2.gz XFIJJTNYBRSGDM-JYJNAYRXSA-N 2 1 401.624 3.745 20 0 HHADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C[C@@H]1C ZINC000533447083 1007762555 /nfs/dbraw/zinc/76/25/55/1007762555.db2.gz XFIJJTNYBRSGDM-JYJNAYRXSA-N 2 1 401.624 3.745 20 0 HHADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C[C@@H]1C ZINC000533447083 1007762575 /nfs/dbraw/zinc/76/25/75/1007762575.db2.gz XFIJJTNYBRSGDM-JYJNAYRXSA-N 2 1 401.624 3.745 20 0 HHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C[C@@H]1C ZINC000533447083 1007762583 /nfs/dbraw/zinc/76/25/83/1007762583.db2.gz XFIJJTNYBRSGDM-JYJNAYRXSA-N 2 1 401.624 3.745 20 0 HHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](c3ncccc3C)C(C)C)CC2)cc1 ZINC000539455506 1007766986 /nfs/dbraw/zinc/76/69/86/1007766986.db2.gz FYZBTEZTAJEHAE-DEOSSOPVSA-N 2 1 408.590 3.720 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)[C@H](C)C1 ZINC000533458283 1007770046 /nfs/dbraw/zinc/77/00/46/1007770046.db2.gz KTZYLQGWSHYDEM-QMMLZNLJSA-N 2 1 407.002 3.849 20 0 HHADMP CC(C)Oc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[NH+](C)C)cc1 ZINC000517613009 1007817865 /nfs/dbraw/zinc/81/78/65/1007817865.db2.gz RBUVQXTYDFFTIR-NFBKMPQASA-N 2 1 401.595 3.847 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000517635699 1007844886 /nfs/dbraw/zinc/84/48/86/1007844886.db2.gz BXWZFSBLUBKMJJ-UHFFFAOYSA-N 2 1 422.617 3.745 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC000517651089 1007864156 /nfs/dbraw/zinc/86/41/56/1007864156.db2.gz SPCUJQUBNJETFW-HOTGVXAUSA-N 2 1 404.436 3.594 20 0 HHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000517659608 1007872166 /nfs/dbraw/zinc/87/21/66/1007872166.db2.gz WWISGYUNCFVPFG-JOCHJYFZSA-N 2 1 410.562 3.803 20 0 HHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000517790901 1007972642 /nfs/dbraw/zinc/97/26/42/1007972642.db2.gz FNOVHVRDPGVUDC-GOSISDBHSA-N 2 1 404.574 3.600 20 0 HHADMP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000518015915 1008104981 /nfs/dbraw/zinc/10/49/81/1008104981.db2.gz YQJQZAQOPNNGFS-CTNGQTDRSA-N 2 1 404.986 3.793 20 0 HHADMP COc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(-c2ccccc2)cc1OC ZINC000539824220 1008119233 /nfs/dbraw/zinc/11/92/33/1008119233.db2.gz DRGODZXMZJICOI-GBXCKJPGSA-N 2 1 423.601 3.829 20 0 HHADMP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000539832064 1008125099 /nfs/dbraw/zinc/12/50/99/1008125099.db2.gz LPDAGHVVTVMYPJ-UHFFFAOYSA-N 2 1 408.521 3.637 20 0 HHADMP COc1ccc(-c2n[nH]cc2C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000539863342 1008147379 /nfs/dbraw/zinc/14/73/79/1008147379.db2.gz WLYUYFRYZFPLIV-KDURUIRLSA-N 2 1 412.578 3.797 20 0 HHADMP CCCCCOc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)ccc1OC ZINC000539863393 1008148208 /nfs/dbraw/zinc/14/82/08/1008148208.db2.gz ZOAAFBPBDWIYLT-QFIPXVFZSA-N 2 1 403.611 3.865 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C[NH+]1Cc1ccccc1 ZINC000533847011 1008153434 /nfs/dbraw/zinc/15/34/34/1008153434.db2.gz FXARSSFQZALBNF-NHCICSSKSA-N 2 1 406.574 3.773 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C[NH+]1Cc1ccccc1 ZINC000533847011 1008153438 /nfs/dbraw/zinc/15/34/38/1008153438.db2.gz FXARSSFQZALBNF-NHCICSSKSA-N 2 1 406.574 3.773 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC000533847011 1008153439 /nfs/dbraw/zinc/15/34/39/1008153439.db2.gz FXARSSFQZALBNF-NHCICSSKSA-N 2 1 406.574 3.773 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000533847011 1008153442 /nfs/dbraw/zinc/15/34/42/1008153442.db2.gz FXARSSFQZALBNF-NHCICSSKSA-N 2 1 406.574 3.773 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc2ccccc2nc1N1CCCCC1 ZINC000539896937 1008170718 /nfs/dbraw/zinc/17/07/18/1008170718.db2.gz SPLAGRSNCMYMIC-GMKZXUHWSA-N 2 1 408.590 3.909 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc2ccccc2nc1N1CCCCC1 ZINC000539896937 1008170720 /nfs/dbraw/zinc/17/07/20/1008170720.db2.gz SPLAGRSNCMYMIC-GMKZXUHWSA-N 2 1 408.590 3.909 20 0 HHADMP COc1cccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)[NH+]2CCCC2)c1 ZINC000533955808 1008231865 /nfs/dbraw/zinc/23/18/65/1008231865.db2.gz SPJBNXJAAXXMKO-TZRRMPRUSA-N 2 1 422.573 3.577 20 0 HHADMP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045555 1008254657 /nfs/dbraw/zinc/25/46/57/1008254657.db2.gz RCHOOKGJSKCTHX-SFHVURJKSA-N 2 1 414.981 3.978 20 0 HHADMP C[N@H+](CCC(=O)Nc1cc(F)cc(F)c1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540048689 1008257797 /nfs/dbraw/zinc/25/77/97/1008257797.db2.gz YQXYHTLLUBQHPL-UHFFFAOYSA-N 2 1 402.489 3.927 20 0 HHADMP C[C@@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000518389976 1008285663 /nfs/dbraw/zinc/28/56/63/1008285663.db2.gz LCLVZWLBUVBUSE-REWPJTCUSA-N 2 1 409.574 3.876 20 0 HHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000540264834 1008360414 /nfs/dbraw/zinc/36/04/14/1008360414.db2.gz LWTQDPYBCXTATN-MSOLQXFVSA-N 2 1 401.576 3.559 20 0 HHADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000518623354 1008369218 /nfs/dbraw/zinc/36/92/18/1008369218.db2.gz FPFQQNJDEXNDIA-FPOVZHCZSA-N 2 1 415.603 3.548 20 0 HHADMP CCc1cnccc1[C@@H](C)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000540311581 1008375971 /nfs/dbraw/zinc/37/59/71/1008375971.db2.gz YTJHAWPYZMMRPM-LJQANCHMSA-N 2 1 415.626 3.543 20 0 HHADMP CCc1cnccc1[C@H](C)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000540311580 1008376019 /nfs/dbraw/zinc/37/60/19/1008376019.db2.gz YTJHAWPYZMMRPM-IBGZPJMESA-N 2 1 415.626 3.543 20 0 HHADMP O=C(NCCC[NH+]1CCc2ccccc2C1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000518644512 1008377184 /nfs/dbraw/zinc/37/71/84/1008377184.db2.gz ZAWSBGQMPONVMR-HSZRJFAPSA-N 2 1 409.549 3.602 20 0 HHADMP O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000518644512 1008377188 /nfs/dbraw/zinc/37/71/88/1008377188.db2.gz ZAWSBGQMPONVMR-HSZRJFAPSA-N 2 1 409.549 3.602 20 0 HHADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000518644512 1008377192 /nfs/dbraw/zinc/37/71/92/1008377192.db2.gz ZAWSBGQMPONVMR-HSZRJFAPSA-N 2 1 409.549 3.602 20 0 HHADMP COc1ccc([C@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000540333210 1008384499 /nfs/dbraw/zinc/38/44/99/1008384499.db2.gz LNDLWERJWBWKER-HTAPYJJXSA-N 2 1 415.965 3.953 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000540466873 1008442598 /nfs/dbraw/zinc/44/25/98/1008442598.db2.gz NLRXYVKXAWHRGG-GSHUGGBRSA-N 2 1 404.514 3.860 20 0 HHADMP Cn1ccc([C@@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c2ccc(F)cc2)n1 ZINC000540493041 1008453791 /nfs/dbraw/zinc/45/37/91/1008453791.db2.gz QFAGVWMDNYVEEV-VWLOTQADSA-N 2 1 421.564 3.841 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000518926738 1008475286 /nfs/dbraw/zinc/47/52/86/1008475286.db2.gz NTPCOSGKNUQBTE-AQNXPRMDSA-N 2 1 411.512 3.683 20 0 HHADMP C[NH+](C)CC1(CNC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CCCC1 ZINC000545448578 1008561438 /nfs/dbraw/zinc/56/14/38/1008561438.db2.gz TYLJSHSOUBJXBF-UHFFFAOYSA-N 2 1 400.611 3.662 20 0 HHADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000519227124 1008633041 /nfs/dbraw/zinc/63/30/41/1008633041.db2.gz PRXUTRDOAPWPSL-LJQANCHMSA-N 2 1 404.352 3.606 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000519227124 1008633049 /nfs/dbraw/zinc/63/30/49/1008633049.db2.gz PRXUTRDOAPWPSL-LJQANCHMSA-N 2 1 404.352 3.606 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1ccco1 ZINC000519293645 1008704769 /nfs/dbraw/zinc/70/47/69/1008704769.db2.gz HMNCXNCCSATNGS-HXUWFJFHSA-N 2 1 418.969 3.747 20 0 HHADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3)[C@H]2c2cccc(OC)c2)CC1 ZINC000543190676 1008764095 /nfs/dbraw/zinc/76/40/95/1008764095.db2.gz UYSSWIRDEBVDFZ-AZGAKELHSA-N 2 1 421.585 3.826 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000545954385 1009016474 /nfs/dbraw/zinc/01/64/74/1009016474.db2.gz BLQHPYXTOMYXSW-DNVFCKCGSA-N 2 1 405.542 3.561 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000545954385 1009016495 /nfs/dbraw/zinc/01/64/95/1009016495.db2.gz BLQHPYXTOMYXSW-DNVFCKCGSA-N 2 1 405.542 3.561 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000545954387 1009017592 /nfs/dbraw/zinc/01/75/92/1009017592.db2.gz BLQHPYXTOMYXSW-YCRNBWNJSA-N 2 1 405.542 3.561 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000545954387 1009017608 /nfs/dbraw/zinc/01/76/08/1009017608.db2.gz BLQHPYXTOMYXSW-YCRNBWNJSA-N 2 1 405.542 3.561 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000546009695 1009044990 /nfs/dbraw/zinc/04/49/90/1009044990.db2.gz HUDXLXCCRYAEBV-WWMYMODYSA-N 2 1 411.571 3.795 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000546009695 1009045007 /nfs/dbraw/zinc/04/50/07/1009045007.db2.gz HUDXLXCCRYAEBV-WWMYMODYSA-N 2 1 411.571 3.795 20 0 HHADMP C[C@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543459992 1009045183 /nfs/dbraw/zinc/04/51/83/1009045183.db2.gz FOLAJSXTUSOHRO-UEXGIBASSA-N 2 1 424.545 3.793 20 0 HHADMP C[C@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543459992 1009045196 /nfs/dbraw/zinc/04/51/96/1009045196.db2.gz FOLAJSXTUSOHRO-UEXGIBASSA-N 2 1 424.545 3.793 20 0 HHADMP CCOc1ccc([C@H](C)NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1OC ZINC000543460468 1009046264 /nfs/dbraw/zinc/04/62/64/1009046264.db2.gz MVTDGXFVDBSMCC-WSTZPKSXSA-N 2 1 417.594 3.514 20 0 HHADMP CCOc1ccc([C@H](C)NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000543460468 1009046280 /nfs/dbraw/zinc/04/62/80/1009046280.db2.gz MVTDGXFVDBSMCC-WSTZPKSXSA-N 2 1 417.594 3.514 20 0 HHADMP COc1cc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(OC)cc1Cl ZINC000543461811 1009049446 /nfs/dbraw/zinc/04/94/46/1009049446.db2.gz SLPNCOKYDQJZIV-LSDHHAIUSA-N 2 1 409.958 3.538 20 0 HHADMP COc1cc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(OC)cc1Cl ZINC000543461811 1009049462 /nfs/dbraw/zinc/04/94/62/1009049462.db2.gz SLPNCOKYDQJZIV-LSDHHAIUSA-N 2 1 409.958 3.538 20 0 HHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)c2ccccc21 ZINC000549529220 1009139770 /nfs/dbraw/zinc/13/97/70/1009139770.db2.gz JRMQVTYKQKBRRH-RPWUZVMVSA-N 2 1 408.542 3.790 20 0 HHADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549585078 1009211738 /nfs/dbraw/zinc/21/17/38/1009211738.db2.gz UWRUYVUQIYZINO-MNPDLOSFSA-N 2 1 420.601 3.636 20 0 HHADMP C[C@H]1C[NH+](C)CC[C@H]1N(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549585078 1009211746 /nfs/dbraw/zinc/21/17/46/1009211746.db2.gz UWRUYVUQIYZINO-MNPDLOSFSA-N 2 1 420.601 3.636 20 0 HHADMP C[C@H]1C[NH+](C)CC[C@H]1N(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549585078 1009211761 /nfs/dbraw/zinc/21/17/61/1009211761.db2.gz UWRUYVUQIYZINO-MNPDLOSFSA-N 2 1 420.601 3.636 20 0 HHADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000543683698 1009292412 /nfs/dbraw/zinc/29/24/12/1009292412.db2.gz CEGHVJVUQXVJBP-FPDPHYFHSA-N 2 1 424.992 3.844 20 0 HHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(F)c(Br)c2)c2cccs2)CC1 ZINC000520190655 1009330637 /nfs/dbraw/zinc/33/06/37/1009330637.db2.gz DHSMMBPMEPLIDW-KRWDZBQOSA-N 2 1 412.372 3.728 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)c1cccc(OC)c1 ZINC000520198277 1009336847 /nfs/dbraw/zinc/33/68/47/1009336847.db2.gz QVNDXXVEPFFTQX-OAQYLSRUSA-N 2 1 404.599 3.594 20 0 HHADMP CC(C)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc2[nH]c(=O)oc2c1 ZINC000543773372 1009341707 /nfs/dbraw/zinc/34/17/07/1009341707.db2.gz IKQFHTXRKWAIQV-NZQKXSOJSA-N 2 1 409.530 3.977 20 0 HHADMP CCc1oc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)cc1C(=O)OC ZINC000549798817 1009405399 /nfs/dbraw/zinc/40/53/99/1009405399.db2.gz WFNIFXWUINOXJS-MRXNPFEDSA-N 2 1 417.525 3.760 20 0 HHADMP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)C1 ZINC000520312763 1009438869 /nfs/dbraw/zinc/43/88/69/1009438869.db2.gz RZUSOWOJXHQDIE-KRWDZBQOSA-N 2 1 403.979 3.664 20 0 HHADMP C[N@H+]1CC[C@H](C(=O)N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)C1 ZINC000520312763 1009438880 /nfs/dbraw/zinc/43/88/80/1009438880.db2.gz RZUSOWOJXHQDIE-KRWDZBQOSA-N 2 1 403.979 3.664 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000520348263 1009484587 /nfs/dbraw/zinc/48/45/87/1009484587.db2.gz NKXHQYDWXKRVGE-FULJZNEXSA-N 2 1 418.585 3.605 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000520348263 1009484596 /nfs/dbraw/zinc/48/45/96/1009484596.db2.gz NKXHQYDWXKRVGE-FULJZNEXSA-N 2 1 418.585 3.605 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000520348263 1009484601 /nfs/dbraw/zinc/48/46/01/1009484601.db2.gz NKXHQYDWXKRVGE-FULJZNEXSA-N 2 1 418.585 3.605 20 0 HHADMP c1cnn(-c2cccc(C[NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CC34CCOCC4)c2)c1 ZINC000549868369 1009488055 /nfs/dbraw/zinc/48/80/55/1009488055.db2.gz VIHISCGKORDEIB-DEOSSOPVSA-N 2 1 416.569 3.891 20 0 HHADMP COc1cccc(C[C@@H]2CCC[N@H+]2CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000549918916 1009536770 /nfs/dbraw/zinc/53/67/70/1009536770.db2.gz BYRUMWRZBQBNMY-DEOSSOPVSA-N 2 1 421.585 3.614 20 0 HHADMP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000543996865 1009597215 /nfs/dbraw/zinc/59/72/15/1009597215.db2.gz QNTNWYYOYNHPCP-KZNAEPCWSA-N 2 1 400.567 3.605 20 0 HHADMP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000543996865 1009597227 /nfs/dbraw/zinc/59/72/27/1009597227.db2.gz QNTNWYYOYNHPCP-KZNAEPCWSA-N 2 1 400.567 3.605 20 0 HHADMP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000544002971 1009604194 /nfs/dbraw/zinc/60/41/94/1009604194.db2.gz SRRVFVKPBYCZDB-MAUKXSAKSA-N 2 1 423.623 3.969 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cc(Cl)cc4c3OCC4)CC2)CC1 ZINC000544021589 1009621890 /nfs/dbraw/zinc/62/18/90/1009621890.db2.gz AMPOXENTOMYZJX-UHFFFAOYSA-N 2 1 406.014 3.903 20 0 HHADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)CC3 ZINC000546612962 1009629850 /nfs/dbraw/zinc/62/98/50/1009629850.db2.gz ODHJNIGKIWREOG-REHUZNOOSA-N 2 1 419.569 3.506 20 0 HHADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)CC3 ZINC000546612962 1009629855 /nfs/dbraw/zinc/62/98/55/1009629855.db2.gz ODHJNIGKIWREOG-REHUZNOOSA-N 2 1 419.569 3.506 20 0 HHADMP CCOc1ccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)c2ncccc12 ZINC000546648091 1009652596 /nfs/dbraw/zinc/65/25/96/1009652596.db2.gz CUGVSOFPKWJOIF-SFHVURJKSA-N 2 1 413.566 3.513 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000546659828 1009659095 /nfs/dbraw/zinc/65/90/95/1009659095.db2.gz AILHDQZUBHGMGV-VEEZFSHISA-N 2 1 417.553 3.846 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)C1 ZINC000520613709 1009690308 /nfs/dbraw/zinc/69/03/08/1009690308.db2.gz BOUOQGQWFXFBBU-OFNKIYASSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000520613709 1009690320 /nfs/dbraw/zinc/69/03/20/1009690320.db2.gz BOUOQGQWFXFBBU-OFNKIYASSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000520613709 1009690331 /nfs/dbraw/zinc/69/03/31/1009690331.db2.gz BOUOQGQWFXFBBU-OFNKIYASSA-N 2 1 400.611 3.838 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[NH+]1CCCCC1 ZINC000520708481 1009775344 /nfs/dbraw/zinc/77/53/44/1009775344.db2.gz WGWHGIHZGVANCY-SIKLNZKXSA-N 2 1 414.594 3.538 20 0 HHADMP CC1(C)C[N@H+](C2(CNC(=O)c3cccc(C[NH+]4CCCC4)c3)CCCCC2)CCO1 ZINC000520885103 1009941197 /nfs/dbraw/zinc/94/11/97/1009941197.db2.gz LQYZSXITAGYQJN-UHFFFAOYSA-N 2 1 413.606 3.826 20 0 HHADMP C[C@H](CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000544332676 1009956609 /nfs/dbraw/zinc/95/66/09/1009956609.db2.gz VOZDRYUSBPYBRT-NHTMILBNSA-N 2 1 412.622 3.947 20 0 HHADMP CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000520952522 1010002378 /nfs/dbraw/zinc/00/23/78/1010002378.db2.gz SKCPFZREVAIZJX-OAQYLSRUSA-N 2 1 424.564 3.818 20 0 HHADMP CC[NH+]1CCN(c2ccccc2NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000520952520 1010002583 /nfs/dbraw/zinc/00/25/83/1010002583.db2.gz SKCPFZREVAIZJX-NRFANRHFSA-N 2 1 424.564 3.818 20 0 HHADMP CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544422014 1010042593 /nfs/dbraw/zinc/04/25/93/1010042593.db2.gz PRCHXTFXMGQSGV-YESZJQIVSA-N 2 1 421.607 3.803 20 0 HHADMP CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544422014 1010042609 /nfs/dbraw/zinc/04/26/09/1010042609.db2.gz PRCHXTFXMGQSGV-YESZJQIVSA-N 2 1 421.607 3.803 20 0 HHADMP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000550622100 1010070015 /nfs/dbraw/zinc/07/00/15/1010070015.db2.gz JCWXSNIZKCPIOY-JTHBVZDNSA-N 2 1 415.603 3.641 20 0 HHADMP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000550622100 1010070030 /nfs/dbraw/zinc/07/00/30/1010070030.db2.gz JCWXSNIZKCPIOY-JTHBVZDNSA-N 2 1 415.603 3.641 20 0 HHADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)[C@@H](n2cncn2)C1 ZINC000550882967 1010239912 /nfs/dbraw/zinc/23/99/12/1010239912.db2.gz UHAZVIASYNNCIX-KAMZKSLDSA-N 2 1 423.605 3.526 20 0 HHADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000544622803 1010246488 /nfs/dbraw/zinc/24/64/88/1010246488.db2.gz UEIJPOCTXQQMEZ-VQTJNVASSA-N 2 1 400.611 3.790 20 0 HHADMP COC(=O)CCCN1CCC([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000547325952 1010254107 /nfs/dbraw/zinc/25/41/07/1010254107.db2.gz KHOKHACHCNVAQN-HXUWFJFHSA-N 2 1 401.595 3.568 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000550940744 1010269663 /nfs/dbraw/zinc/26/96/63/1010269663.db2.gz XHDHVLRLMMLFMF-GJZGRUSLSA-N 2 1 415.335 3.844 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)cc1 ZINC000547399279 1010288784 /nfs/dbraw/zinc/28/87/84/1010288784.db2.gz UNHJYXKBEPRASS-SFHVURJKSA-N 2 1 404.514 3.504 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)CC[NH+](C)C3CCCCC3)cc2)C[C@H](C)O1 ZINC000547430917 1010302317 /nfs/dbraw/zinc/30/23/17/1010302317.db2.gz AGWMANGFKVRSLD-BGYRXZFFSA-N 2 1 401.595 3.567 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)CC[N@H+](C)C3CCCCC3)cc2)C[C@H](C)O1 ZINC000547430917 1010302330 /nfs/dbraw/zinc/30/23/30/1010302330.db2.gz AGWMANGFKVRSLD-BGYRXZFFSA-N 2 1 401.595 3.567 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)CC[N@@H+](C)C3CCCCC3)cc2)C[C@H](C)O1 ZINC000547430917 1010302346 /nfs/dbraw/zinc/30/23/46/1010302346.db2.gz AGWMANGFKVRSLD-BGYRXZFFSA-N 2 1 401.595 3.567 20 0 HHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)C[C@H]1c1ccccc1 ZINC000551009204 1010314335 /nfs/dbraw/zinc/31/43/35/1010314335.db2.gz RHRRVUQPSSDOEE-ZVDOUQERSA-N 2 1 408.464 3.870 20 0 HHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)C[C@H]1c1ccccc1 ZINC000551009204 1010314341 /nfs/dbraw/zinc/31/43/41/1010314341.db2.gz RHRRVUQPSSDOEE-ZVDOUQERSA-N 2 1 408.464 3.870 20 0 HHADMP COc1ccccc1CC(=O)N1CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000551029607 1010326330 /nfs/dbraw/zinc/32/63/30/1010326330.db2.gz LTFMXIHKENIOPK-BJKOFHAPSA-N 2 1 421.585 3.654 20 0 HHADMP COc1ccccc1CC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000551029607 1010326343 /nfs/dbraw/zinc/32/63/43/1010326343.db2.gz LTFMXIHKENIOPK-BJKOFHAPSA-N 2 1 421.585 3.654 20 0 HHADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC000521367416 1010336202 /nfs/dbraw/zinc/33/62/02/1010336202.db2.gz DZLZLCCFMMIPLS-OAQYLSRUSA-N 2 1 402.583 3.683 20 0 HHADMP COCC[NH+]1CCC[C@@H]1CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000521367416 1010336208 /nfs/dbraw/zinc/33/62/08/1010336208.db2.gz DZLZLCCFMMIPLS-OAQYLSRUSA-N 2 1 402.583 3.683 20 0 HHADMP COCC[NH+]1CCC[C@@H]1CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000521367416 1010336218 /nfs/dbraw/zinc/33/62/18/1010336218.db2.gz DZLZLCCFMMIPLS-OAQYLSRUSA-N 2 1 402.583 3.683 20 0 HHADMP COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC000521367415 1010336500 /nfs/dbraw/zinc/33/65/00/1010336500.db2.gz DZLZLCCFMMIPLS-NRFANRHFSA-N 2 1 402.583 3.683 20 0 HHADMP COCC[NH+]1CCC[C@H]1CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000521367415 1010336517 /nfs/dbraw/zinc/33/65/17/1010336517.db2.gz DZLZLCCFMMIPLS-NRFANRHFSA-N 2 1 402.583 3.683 20 0 HHADMP COCC[NH+]1CCC[C@H]1CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000521367415 1010336533 /nfs/dbraw/zinc/33/65/33/1010336533.db2.gz DZLZLCCFMMIPLS-NRFANRHFSA-N 2 1 402.583 3.683 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)CC1 ZINC000547538276 1010344317 /nfs/dbraw/zinc/34/43/17/1010344317.db2.gz COOICXDVSXBBPG-QHCPKHFHSA-N 2 1 400.611 3.659 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000547538276 1010344339 /nfs/dbraw/zinc/34/43/39/1010344339.db2.gz COOICXDVSXBBPG-QHCPKHFHSA-N 2 1 400.611 3.659 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000547538276 1010344349 /nfs/dbraw/zinc/34/43/49/1010344349.db2.gz COOICXDVSXBBPG-QHCPKHFHSA-N 2 1 400.611 3.659 20 0 HHADMP Cc1ccc([C@H](CNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)[NH+](C)C)cc1 ZINC000521485186 1010404488 /nfs/dbraw/zinc/40/44/88/1010404488.db2.gz DXWPNUWLMGHNIY-REHUZNOOSA-N 2 1 409.574 3.637 20 0 HHADMP C[C@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547827903 1010441179 /nfs/dbraw/zinc/44/11/79/1010441179.db2.gz YQXUEGXPHCBEMB-JTHBVZDNSA-N 2 1 420.601 3.590 20 0 HHADMP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000521534766 1010445623 /nfs/dbraw/zinc/44/56/23/1010445623.db2.gz ZYIWTLKTFGBGDA-HSZRJFAPSA-N 2 1 409.549 3.950 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)N3CCCCC3)c2)[C@@H](C)C1 ZINC000547842966 1010446319 /nfs/dbraw/zinc/44/63/19/1010446319.db2.gz DKDOVUYYSSEMEN-REWPJTCUSA-N 2 1 401.595 3.539 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)N3CCCCC3)c2)[C@@H](C)C1 ZINC000547842966 1010446325 /nfs/dbraw/zinc/44/63/25/1010446325.db2.gz DKDOVUYYSSEMEN-REWPJTCUSA-N 2 1 401.595 3.539 20 0 HHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(Cc1ccncc1)C[C@@H]1CCC[NH+]1CC ZINC000521785515 1010616970 /nfs/dbraw/zinc/61/69/70/1010616970.db2.gz NHOHERAYIKLXDA-GOTSBHOMSA-N 2 1 415.626 3.732 20 0 HHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@@H+]1CC ZINC000521785515 1010616978 /nfs/dbraw/zinc/61/69/78/1010616978.db2.gz NHOHERAYIKLXDA-GOTSBHOMSA-N 2 1 415.626 3.732 20 0 HHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC ZINC000521785515 1010616986 /nfs/dbraw/zinc/61/69/86/1010616986.db2.gz NHOHERAYIKLXDA-GOTSBHOMSA-N 2 1 415.626 3.732 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3c(C)cc(C)c(C(C)=O)c3C)CC2)CC1 ZINC000521804114 1010631204 /nfs/dbraw/zinc/63/12/04/1010631204.db2.gz SHVAJYAEVWTFDM-UHFFFAOYSA-N 2 1 413.606 3.581 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548482139 1010640830 /nfs/dbraw/zinc/64/08/30/1010640830.db2.gz XNJIGGCYZHDQJZ-ZJSXRUAMSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@@H](NCc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548482139 1010640835 /nfs/dbraw/zinc/64/08/35/1010640835.db2.gz XNJIGGCYZHDQJZ-ZJSXRUAMSA-N 2 1 407.602 3.644 20 0 HHADMP C[C@@H](NCc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548482139 1010640842 /nfs/dbraw/zinc/64/08/42/1010640842.db2.gz XNJIGGCYZHDQJZ-ZJSXRUAMSA-N 2 1 407.602 3.644 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+]CC2=Cc3ccccc3OC2)c1)C1CCOCC1 ZINC000521830359 1010644568 /nfs/dbraw/zinc/64/45/68/1010644568.db2.gz WGKLMENRXYTROQ-UHFFFAOYSA-N 2 1 408.542 3.742 20 0 HHADMP C[N@@H+](CCC(=O)Nc1ccnn1[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC000548719962 1010713536 /nfs/dbraw/zinc/71/35/36/1010713536.db2.gz PMDJUTMNWMOPLW-JOCHJYFZSA-N 2 1 409.578 3.923 20 0 HHADMP C[NH+](CCC(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000548719962 1010713543 /nfs/dbraw/zinc/71/35/43/1010713543.db2.gz PMDJUTMNWMOPLW-JOCHJYFZSA-N 2 1 409.578 3.923 20 0 HHADMP C[NH+](CCC(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000548719962 1010713549 /nfs/dbraw/zinc/71/35/49/1010713549.db2.gz PMDJUTMNWMOPLW-JOCHJYFZSA-N 2 1 409.578 3.923 20 0 HHADMP CC[NH+]1CCC(n2nccc2NC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000521969121 1010743933 /nfs/dbraw/zinc/74/39/33/1010743933.db2.gz AWLJEYPCFGZSHD-FQEVSTJZSA-N 2 1 423.605 3.822 20 0 HHADMP O=C(C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000548934353 1010768202 /nfs/dbraw/zinc/76/82/02/1010768202.db2.gz BTQJGHAUGTUQLJ-HXUWFJFHSA-N 2 1 423.523 3.953 20 0 HHADMP O=C(C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000548934353 1010768206 /nfs/dbraw/zinc/76/82/06/1010768206.db2.gz BTQJGHAUGTUQLJ-HXUWFJFHSA-N 2 1 423.523 3.953 20 0 HHADMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3cccc(OC(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000522035591 1010768785 /nfs/dbraw/zinc/76/87/85/1010768785.db2.gz AKOJYHKAHNHDQQ-IRXDYDNUSA-N 2 1 416.484 3.675 20 0 HHADMP C[NH+](C)Cc1cc(CNC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)ccc1F ZINC000522472011 1011033165 /nfs/dbraw/zinc/03/31/65/1011033165.db2.gz UWDZZLVENNUWRA-UHFFFAOYSA-N 2 1 412.553 3.523 20 0 HHADMP CC[C@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)c1ccc(OC)cc1 ZINC000540590356 1011246808 /nfs/dbraw/zinc/24/68/08/1011246808.db2.gz JRWGNGFUSYZRFC-DEOSSOPVSA-N 2 1 409.574 3.779 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000536162108 1011290767 /nfs/dbraw/zinc/29/07/67/1011290767.db2.gz ZLMNBKFOHHRCAU-YGOYIFOWSA-N 2 1 406.574 3.957 20 0 HHADMP COc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)[NH+]2CCCC2)cc1 ZINC000536204444 1011349112 /nfs/dbraw/zinc/34/91/12/1011349112.db2.gz PTKDWHNELLROKK-KMDXXIMOSA-N 2 1 422.573 3.577 20 0 HHADMP CC(C)N1CC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540717869 1011368146 /nfs/dbraw/zinc/36/81/46/1011368146.db2.gz BTSLBIKXVIIRKS-RYGJVYDSSA-N 2 1 410.965 3.644 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540717869 1011368159 /nfs/dbraw/zinc/36/81/59/1011368159.db2.gz BTSLBIKXVIIRKS-RYGJVYDSSA-N 2 1 410.965 3.644 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540717869 1011368170 /nfs/dbraw/zinc/36/81/70/1011368170.db2.gz BTSLBIKXVIIRKS-RYGJVYDSSA-N 2 1 410.965 3.644 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCC[N@H+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540717869 1011368182 /nfs/dbraw/zinc/36/81/82/1011368182.db2.gz BTSLBIKXVIIRKS-RYGJVYDSSA-N 2 1 410.965 3.644 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540717869 1011368188 /nfs/dbraw/zinc/36/81/88/1011368188.db2.gz BTSLBIKXVIIRKS-RYGJVYDSSA-N 2 1 410.965 3.644 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540717872 1011368795 /nfs/dbraw/zinc/36/87/95/1011368795.db2.gz BTSLBIKXVIIRKS-YSSFQJQWSA-N 2 1 410.965 3.644 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540717872 1011368804 /nfs/dbraw/zinc/36/88/04/1011368804.db2.gz BTSLBIKXVIIRKS-YSSFQJQWSA-N 2 1 410.965 3.644 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCC[N@H+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540717872 1011368814 /nfs/dbraw/zinc/36/88/14/1011368814.db2.gz BTSLBIKXVIIRKS-YSSFQJQWSA-N 2 1 410.965 3.644 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540717872 1011368825 /nfs/dbraw/zinc/36/88/25/1011368825.db2.gz BTSLBIKXVIIRKS-YSSFQJQWSA-N 2 1 410.965 3.644 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540719211 1011371278 /nfs/dbraw/zinc/37/12/78/1011371278.db2.gz ZJQIAARKRRQGFQ-JHVJFLLYSA-N 2 1 422.976 3.786 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540719211 1011371283 /nfs/dbraw/zinc/37/12/83/1011371283.db2.gz ZJQIAARKRRQGFQ-JHVJFLLYSA-N 2 1 422.976 3.786 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540719211 1011371291 /nfs/dbraw/zinc/37/12/91/1011371291.db2.gz ZJQIAARKRRQGFQ-JHVJFLLYSA-N 2 1 422.976 3.786 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540719211 1011371299 /nfs/dbraw/zinc/37/12/99/1011371299.db2.gz ZJQIAARKRRQGFQ-JHVJFLLYSA-N 2 1 422.976 3.786 20 0 HHADMP CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000540721060 1011373957 /nfs/dbraw/zinc/37/39/57/1011373957.db2.gz ZHCPFUHONPFQHQ-WOJBJXKFSA-N 2 1 410.965 3.786 20 0 HHADMP CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000540721060 1011373967 /nfs/dbraw/zinc/37/39/67/1011373967.db2.gz ZHCPFUHONPFQHQ-WOJBJXKFSA-N 2 1 410.965 3.786 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540865793 1011542436 /nfs/dbraw/zinc/54/24/36/1011542436.db2.gz LUXBCDDGCNZIGC-SEONNTABSA-N 2 1 422.976 3.881 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540865793 1011542449 /nfs/dbraw/zinc/54/24/49/1011542449.db2.gz LUXBCDDGCNZIGC-SEONNTABSA-N 2 1 422.976 3.881 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540865793 1011542462 /nfs/dbraw/zinc/54/24/62/1011542462.db2.gz LUXBCDDGCNZIGC-SEONNTABSA-N 2 1 422.976 3.881 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540865793 1011542473 /nfs/dbraw/zinc/54/24/73/1011542473.db2.gz LUXBCDDGCNZIGC-SEONNTABSA-N 2 1 422.976 3.881 20 0 HHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000523130552 1011599774 /nfs/dbraw/zinc/59/97/74/1011599774.db2.gz GDPPRTVYPAHJMB-NJDAHSKKSA-N 2 1 400.611 3.694 20 0 HHADMP COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c(OC)c1 ZINC000541026183 1011661218 /nfs/dbraw/zinc/66/12/18/1011661218.db2.gz TXAKSYCKXFRNBR-CVEARBPZSA-N 2 1 408.502 3.876 20 0 HHADMP COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000541026862 1011662874 /nfs/dbraw/zinc/66/28/74/1011662874.db2.gz JTEJWBBRHLNADE-IAGOWNOFSA-N 2 1 420.513 3.954 20 0 HHADMP COc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(-c2ccccc2)cc1OC ZINC000536664784 1011816554 /nfs/dbraw/zinc/81/65/54/1011816554.db2.gz LCBMGOAYVCWECC-QHCPKHFHSA-N 2 1 423.601 3.971 20 0 HHADMP Cc1ccccc1C1CC([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000541207125 1011876858 /nfs/dbraw/zinc/87/68/58/1011876858.db2.gz QSZITEJZJJNFPW-UHFFFAOYSA-N 2 1 407.558 3.692 20 0 HHADMP Cc1ccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000523446176 1011941903 /nfs/dbraw/zinc/94/19/03/1011941903.db2.gz ONYVQZYNAPZHPA-NRFANRHFSA-N 2 1 410.562 3.722 20 0 HHADMP Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552055600 1012072878 /nfs/dbraw/zinc/07/28/78/1012072878.db2.gz VZWGLHJFUOLDCL-FPDJOHNTSA-N 2 1 408.590 3.778 20 0 HHADMP COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c(C)c1OC ZINC000552065569 1012083297 /nfs/dbraw/zinc/08/32/97/1012083297.db2.gz FUMWDRWNXKIXKT-JPYJTQIMSA-N 2 1 412.574 3.690 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]Cc4cccc(N5CCOCC5)n4)[C@H]3C2)cc1 ZINC000552067620 1012085330 /nfs/dbraw/zinc/08/53/30/1012085330.db2.gz RJMLLEZBXBUKLX-ZKMPZPQNSA-N 2 1 420.601 3.699 20 0 HHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000536857867 1012091599 /nfs/dbraw/zinc/09/15/99/1012091599.db2.gz NKMDMTKRDWAVDE-SFHVURJKSA-N 2 1 403.592 3.628 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000536876330 1012118798 /nfs/dbraw/zinc/11/87/98/1012118798.db2.gz KCBJKZIJPFLECQ-FGSXEWAUSA-N 2 1 407.624 3.631 20 0 HHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000523598684 1012163601 /nfs/dbraw/zinc/16/36/01/1012163601.db2.gz XEHIRUWEDPVJDX-RTBURBONSA-N 2 1 406.640 3.770 20 0 HHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000523598684 1012163611 /nfs/dbraw/zinc/16/36/11/1012163611.db2.gz XEHIRUWEDPVJDX-RTBURBONSA-N 2 1 406.640 3.770 20 0 HHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000523598684 1012163622 /nfs/dbraw/zinc/16/36/22/1012163622.db2.gz XEHIRUWEDPVJDX-RTBURBONSA-N 2 1 406.640 3.770 20 0 HHADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000552169450 1012187585 /nfs/dbraw/zinc/18/75/85/1012187585.db2.gz VQCCQBSIGBYHMY-HXUWFJFHSA-N 2 1 402.489 3.512 20 0 HHADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000552169450 1012187592 /nfs/dbraw/zinc/18/75/92/1012187592.db2.gz VQCCQBSIGBYHMY-HXUWFJFHSA-N 2 1 402.489 3.512 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1F ZINC000523616237 1012191206 /nfs/dbraw/zinc/19/12/06/1012191206.db2.gz PATQVVTZVYOJGL-MRXNPFEDSA-N 2 1 401.530 3.630 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1F ZINC000523616237 1012191218 /nfs/dbraw/zinc/19/12/18/1012191218.db2.gz PATQVVTZVYOJGL-MRXNPFEDSA-N 2 1 401.530 3.630 20 0 HHADMP C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000552183629 1012197165 /nfs/dbraw/zinc/19/71/65/1012197165.db2.gz NEFHTTDKUDJQAO-FQEVSTJZSA-N 2 1 401.501 3.887 20 0 HHADMP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000536933512 1012222635 /nfs/dbraw/zinc/22/26/35/1012222635.db2.gz BQGKAVLWIVTKDD-KURKYZTESA-N 2 1 412.521 3.939 20 0 HHADMP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536933511 1012223161 /nfs/dbraw/zinc/22/31/61/1012223161.db2.gz BQGKAVLWIVTKDD-KSZLIROESA-N 2 1 412.521 3.939 20 0 HHADMP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536933511 1012223176 /nfs/dbraw/zinc/22/31/76/1012223176.db2.gz BQGKAVLWIVTKDD-KSZLIROESA-N 2 1 412.521 3.939 20 0 HHADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCOc3cccc4ccccc43)CC2)C[C@H](C)O1 ZINC000536933545 1012223783 /nfs/dbraw/zinc/22/37/83/1012223783.db2.gz DJQOAANGWIZLCN-SFTDATJTSA-N 2 1 412.574 3.809 20 0 HHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC(N[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000552275961 1012289873 /nfs/dbraw/zinc/28/98/73/1012289873.db2.gz GJFQBCSQDFWQKK-PDIHAJQMSA-N 2 1 411.634 3.645 20 0 HHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000552275961 1012289894 /nfs/dbraw/zinc/28/98/94/1012289894.db2.gz GJFQBCSQDFWQKK-PDIHAJQMSA-N 3 1 411.634 3.645 20 0 HHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000552275961 1012289914 /nfs/dbraw/zinc/28/99/14/1012289914.db2.gz GJFQBCSQDFWQKK-PDIHAJQMSA-N 3 1 411.634 3.645 20 0 HHADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000541542119 1012327378 /nfs/dbraw/zinc/32/73/78/1012327378.db2.gz PJZZRIAYBNWULU-QZTJIDSGSA-N 2 1 402.560 3.863 20 0 HHADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000541542119 1012327392 /nfs/dbraw/zinc/32/73/92/1012327392.db2.gz PJZZRIAYBNWULU-QZTJIDSGSA-N 2 1 402.560 3.863 20 0 HHADMP Cc1cc(Br)ccc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541598881 1012392267 /nfs/dbraw/zinc/39/22/67/1012392267.db2.gz DEOYWYJJPUKDKL-HZPDHXFCSA-N 2 1 408.384 3.939 20 0 HHADMP Cc1cc(Br)ccc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541598881 1012392287 /nfs/dbraw/zinc/39/22/87/1012392287.db2.gz DEOYWYJJPUKDKL-HZPDHXFCSA-N 2 1 408.384 3.939 20 0 HHADMP C[C@H](NC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCC1(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000552420894 1012437567 /nfs/dbraw/zinc/43/75/67/1012437567.db2.gz YAOFOFDUAIEQIW-VCOUNFBDSA-N 2 1 419.560 3.913 20 0 HHADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000541816283 1012703295 /nfs/dbraw/zinc/70/32/95/1012703295.db2.gz ISNXLZZNTYUOFA-IBGZPJMESA-N 2 1 412.578 3.783 20 0 HHADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000541816283 1012703306 /nfs/dbraw/zinc/70/33/06/1012703306.db2.gz ISNXLZZNTYUOFA-IBGZPJMESA-N 2 1 412.578 3.783 20 0 HHADMP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1Cl ZINC000523968507 1012713421 /nfs/dbraw/zinc/71/34/21/1012713421.db2.gz YIJDNXYRXVPXRE-FQEVSTJZSA-N 2 1 401.938 3.884 20 0 HHADMP CC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C(c1ccccc1)c1ccccc1 ZINC000552717621 1012728203 /nfs/dbraw/zinc/72/82/03/1012728203.db2.gz VTXGOSSHVGBLEX-XMMPIXPASA-N 2 1 423.601 3.571 20 0 HHADMP CC[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C(c1ccccc1)c1ccccc1 ZINC000552717621 1012728219 /nfs/dbraw/zinc/72/82/19/1012728219.db2.gz VTXGOSSHVGBLEX-XMMPIXPASA-N 2 1 423.601 3.571 20 0 HHADMP CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C(c1ccccc1)c1ccccc1 ZINC000552717621 1012728233 /nfs/dbraw/zinc/72/82/33/1012728233.db2.gz VTXGOSSHVGBLEX-XMMPIXPASA-N 2 1 423.601 3.571 20 0 HHADMP CN1CCN([C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c2cccs2)CC1 ZINC000541882375 1012752724 /nfs/dbraw/zinc/75/27/24/1012752724.db2.gz HTNBJIMANIEAPL-UEQSERJNSA-N 2 1 424.658 3.537 20 0 HHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000541915586 1012773582 /nfs/dbraw/zinc/77/35/82/1012773582.db2.gz RTAIOKZIVIBDEI-FICKONGGSA-N 3 1 419.613 3.644 20 0 HHADMP O[C@@H]1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000541915586 1012773597 /nfs/dbraw/zinc/77/35/97/1012773597.db2.gz RTAIOKZIVIBDEI-FICKONGGSA-N 3 1 419.613 3.644 20 0 HHADMP O[C@@H]1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000541915586 1012773611 /nfs/dbraw/zinc/77/36/11/1012773611.db2.gz RTAIOKZIVIBDEI-FICKONGGSA-N 3 1 419.613 3.644 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(OC(F)F)cc2)cc1 ZINC000541955355 1012818473 /nfs/dbraw/zinc/81/84/73/1012818473.db2.gz KBZKYOCVBCAKSN-OAHLLOKOSA-N 2 1 414.456 3.749 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000541956215 1012819326 /nfs/dbraw/zinc/81/93/26/1012819326.db2.gz WARGVCXGRCKGJP-KRWDZBQOSA-N 2 1 405.502 3.796 20 0 HHADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H](c3ccccc3)[NH+](CC)CC)c2C1 ZINC000524181405 1012980485 /nfs/dbraw/zinc/98/04/85/1012980485.db2.gz ASDHZFPBWWQPEW-QHCPKHFHSA-N 2 1 422.573 3.550 20 0 HHADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H](c3ccccc3)[NH+](CC)CC)c2C1 ZINC000524181405 1012980503 /nfs/dbraw/zinc/98/05/03/1012980503.db2.gz ASDHZFPBWWQPEW-QHCPKHFHSA-N 2 1 422.573 3.550 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(SC(F)(F)F)nc1 ZINC001670852592 1071785561 /nfs/dbraw/zinc/78/55/61/1071785561.db2.gz NLGMAOJVKJHFQL-HNNXBMFYSA-N 2 1 419.517 3.573 20 0 HHADMP C[NH+](C)Cc1ccc(-c2noc([C@@H]([NH3+])Cc3ccc4c(c3)COC(C)(C)O4)n2)cc1 ZINC001212012149 1071896278 /nfs/dbraw/zinc/89/62/78/1071896278.db2.gz GTTKEJNBCJZPQM-IBGZPJMESA-N 2 1 408.502 3.686 20 0 HHADMP C[N@@H+]1CC[C@@]2(CCN(C(=O)NC[C@H](c3ccccc3)[NH+]3CCc4sccc4C3)C2)C1 ZINC000487838155 1072099430 /nfs/dbraw/zinc/09/94/30/1072099430.db2.gz LJBISNYQCOSDBT-ZJSXRUAMSA-N 2 1 424.614 3.585 20 0 HHADMP C[N@H+]1CC[C@@]2(CCN(C(=O)NC[C@H](c3ccccc3)[NH+]3CCc4sccc4C3)C2)C1 ZINC000487838155 1072099440 /nfs/dbraw/zinc/09/94/40/1072099440.db2.gz LJBISNYQCOSDBT-ZJSXRUAMSA-N 2 1 424.614 3.585 20 0 HHADMP C[NH+]1CC[C@@]2(CCN(C(=O)NC[C@H](c3ccccc3)[N@@H+]3CCc4sccc4C3)C2)C1 ZINC000487838155 1072099452 /nfs/dbraw/zinc/09/94/52/1072099452.db2.gz LJBISNYQCOSDBT-ZJSXRUAMSA-N 2 1 424.614 3.585 20 0 HHADMP C[NH+]1CC[C@@]2(CCN(C(=O)NC[C@H](c3ccccc3)[N@H+]3CCc4sccc4C3)C2)C1 ZINC000487838155 1072099460 /nfs/dbraw/zinc/09/94/60/1072099460.db2.gz LJBISNYQCOSDBT-ZJSXRUAMSA-N 2 1 424.614 3.585 20 0 HHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC000488203606 1072122554 /nfs/dbraw/zinc/12/25/54/1072122554.db2.gz QCBKENAFPIZVIV-OAQYLSRUSA-N 2 1 412.622 3.934 20 0 HHADMP Cc1cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)cc(F)c1F ZINC001143599465 1072436398 /nfs/dbraw/zinc/43/63/98/1072436398.db2.gz FIVYDQBNDPIXIW-HXUWFJFHSA-N 2 1 401.501 3.924 20 0 HHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cc(Br)cc(F)c2F)no1 ZINC001212145206 1072529503 /nfs/dbraw/zinc/52/95/03/1072529503.db2.gz NWESYAVBSXOFMS-ZDUSSCGKSA-N 2 1 403.271 3.945 20 0 HHADMP c1cc(-c2ccc3nc(C4CC[NH+](C5CC[NH+](CC6CC6)CC5)CC4)nn3c2)ccn1 ZINC001168378337 1072578424 /nfs/dbraw/zinc/57/84/24/1072578424.db2.gz MFEMYZTZQYHHIM-UHFFFAOYSA-N 2 1 416.573 3.845 20 0 HHADMP COc1ccc(C[C@](C)(O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000555002693 1073051352 /nfs/dbraw/zinc/05/13/52/1073051352.db2.gz KWISOIVQFLCRQU-JTJYXVOQSA-N 2 1 412.574 3.640 20 0 HHADMP COc1ccc(C[C@](C)(O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000555002693 1073051362 /nfs/dbraw/zinc/05/13/62/1073051362.db2.gz KWISOIVQFLCRQU-JTJYXVOQSA-N 2 1 412.574 3.640 20 0 HHADMP COc1ccc(C[C@](C)(O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000555002696 1073051633 /nfs/dbraw/zinc/05/16/33/1073051633.db2.gz KWISOIVQFLCRQU-WPWBMXPQSA-N 2 1 412.574 3.640 20 0 HHADMP COc1ccc(C[C@](C)(O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000555002696 1073051640 /nfs/dbraw/zinc/05/16/40/1073051640.db2.gz KWISOIVQFLCRQU-WPWBMXPQSA-N 2 1 412.574 3.640 20 0 HHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3cc(Cl)c4c(c3)OCCCO4)CC2)C[C@H](C)O1 ZINC000588708626 1073154545 /nfs/dbraw/zinc/15/45/45/1073154545.db2.gz AOENXWOXKSBPJP-IRXDYDNUSA-N 2 1 408.970 3.823 20 0 HHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@@H](O)COc3cc(C)cc(C)c3)C2)s1 ZINC000572108751 1073196773 /nfs/dbraw/zinc/19/67/73/1073196773.db2.gz BRIIBJCXDBOFJS-NHCUHLMSSA-N 2 1 402.604 3.867 20 0 HHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H](O)COc3cc(C)cc(C)c3)C2)s1 ZINC000572108751 1073196776 /nfs/dbraw/zinc/19/67/76/1073196776.db2.gz BRIIBJCXDBOFJS-NHCUHLMSSA-N 2 1 402.604 3.867 20 0 HHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H](O)COc3cc(C)cc(C)c3)C2)s1 ZINC000572108751 1073196780 /nfs/dbraw/zinc/19/67/80/1073196780.db2.gz BRIIBJCXDBOFJS-NHCUHLMSSA-N 2 1 402.604 3.867 20 0 HHADMP FC(F)(F)c1cccc(N2CC[NH+](CCCCNc3[nH+]cnc4[nH]ccc43)CC2)c1 ZINC000588896848 1073334180 /nfs/dbraw/zinc/33/41/80/1073334180.db2.gz SZRSQWZYDSJYML-UHFFFAOYSA-N 2 1 418.467 3.943 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(C(C)(C)C(F)(F)F)cc2)CC1 ZINC000555309198 1073334553 /nfs/dbraw/zinc/33/45/53/1073334553.db2.gz WCIZUQYMVQKQQE-UHFFFAOYSA-N 2 1 406.452 3.926 20 0 HHADMP C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000589052218 1073383684 /nfs/dbraw/zinc/38/36/84/1073383684.db2.gz TYVBEXSPRACQRV-ZDUSSCGKSA-N 2 1 409.317 3.546 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000590020516 1073472783 /nfs/dbraw/zinc/47/27/83/1073472783.db2.gz YHNSQIUBBBEBCQ-CABCVRRESA-N 2 1 405.329 3.882 20 0 HHADMP Cc1[nH+]ccn1CC(=O)c1cccc(-c2noc(C3CCC4(CC[NH2+]C4)CC3)n2)c1 ZINC001212124581 1073483913 /nfs/dbraw/zinc/48/39/13/1073483913.db2.gz LFTGTZOFTCVWAI-UHFFFAOYSA-N 2 1 405.502 3.762 20 0 HHADMP Cn1cnc2cc(C[NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CC34CCOCC4)ccc21 ZINC000555617830 1073684197 /nfs/dbraw/zinc/68/41/97/1073684197.db2.gz WXTXMKCJTHDOPO-QFIPXVFZSA-N 2 1 404.558 3.592 20 0 HHADMP COc1cc(-c2noc(C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)n2)ccc1OC(F)F ZINC000590786959 1074004013 /nfs/dbraw/zinc/00/40/13/1074004013.db2.gz OFDWLNPNIQJGCI-UHFFFAOYSA-N 2 1 424.492 3.899 20 0 HHADMP COc1cc(-c2noc(C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)n2)ccc1OC(F)F ZINC000590786959 1074004021 /nfs/dbraw/zinc/00/40/21/1074004021.db2.gz OFDWLNPNIQJGCI-UHFFFAOYSA-N 2 1 424.492 3.899 20 0 HHADMP c1cc([C@H]2CCC[NH+](Cc3ccc(C[N@H+]4CCC[C@H](c5cc[nH]n5)C4)cc3)C2)n[nH]1 ZINC000590929119 1074040191 /nfs/dbraw/zinc/04/01/91/1074040191.db2.gz SYVKQYURDAZAGE-VXKWHMMOSA-N 2 1 404.562 3.892 20 0 HHADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)CC1 ZINC000573012030 1074060738 /nfs/dbraw/zinc/06/07/38/1074060738.db2.gz XOOLFLCEHCGNMG-LJQANCHMSA-N 2 1 406.368 3.744 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000591423564 1074284872 /nfs/dbraw/zinc/28/48/72/1074284872.db2.gz STWFERHIVONAJZ-SFHVURJKSA-N 2 1 401.595 3.979 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000591569007 1074414993 /nfs/dbraw/zinc/41/49/93/1074414993.db2.gz RWZDDQHUSAMBML-FQEVSTJZSA-N 2 1 420.548 3.589 20 0 HHADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000760889082 1074522870 /nfs/dbraw/zinc/52/28/70/1074522870.db2.gz YCZHVHCDJYOFGV-FCHUYYIVSA-N 2 1 414.981 3.988 20 0 HHADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000760889082 1074522874 /nfs/dbraw/zinc/52/28/74/1074522874.db2.gz YCZHVHCDJYOFGV-FCHUYYIVSA-N 2 1 414.981 3.988 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)cc2)C1 ZINC000592487477 1074768465 /nfs/dbraw/zinc/76/84/65/1074768465.db2.gz RHZDGFRKNGRWID-TXTKFYIRSA-N 2 1 412.622 3.981 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCc2nc3cc(Cl)ccc3s2)CC1 ZINC000593041926 1075156869 /nfs/dbraw/zinc/15/68/69/1075156869.db2.gz QKJFRKFFOMRMOP-UHFFFAOYSA-N 2 1 415.950 3.668 20 0 HHADMP C[NH+](C)CCCOc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000593499182 1075204126 /nfs/dbraw/zinc/20/41/26/1075204126.db2.gz QKSPAGYCXYWOLF-UHFFFAOYSA-N 2 1 410.562 3.757 20 0 HHADMP Cc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000593501645 1075205343 /nfs/dbraw/zinc/20/53/43/1075205343.db2.gz XEPZDVWNJNADKG-UHFFFAOYSA-N 2 1 410.562 3.675 20 0 HHADMP C[N@H+]1CCN(CCC[NH2+]CCC(=O)Nc2cccc(Cl)c2)[C@H](c2ccccc2)C1 ZINC000575085533 1075472882 /nfs/dbraw/zinc/47/28/82/1075472882.db2.gz PROQYXZLQQGDOT-QFIPXVFZSA-N 2 1 414.981 3.637 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000597886127 1075724570 /nfs/dbraw/zinc/72/45/70/1075724570.db2.gz NLYICHZNBUWONR-RPBOFIJWSA-N 2 1 420.601 3.807 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000597886127 1075724572 /nfs/dbraw/zinc/72/45/72/1075724572.db2.gz NLYICHZNBUWONR-RPBOFIJWSA-N 2 1 420.601 3.807 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000597886127 1075724574 /nfs/dbraw/zinc/72/45/74/1075724574.db2.gz NLYICHZNBUWONR-RPBOFIJWSA-N 2 1 420.601 3.807 20 0 HHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)n1 ZINC001164625894 719122546 /nfs/dbraw/zinc/12/25/46/719122546.db2.gz ZGGBMEVYVGNMOO-JKSUJKDBSA-N 2 1 405.587 3.663 20 0 HHADMP c1csc(C[N@H+]2CCOC3(CCN(c4ccc(C[NH+]5CCCC5)cn4)CC3)C2)c1 ZINC001164699019 719897561 /nfs/dbraw/zinc/89/75/61/719897561.db2.gz VPRXYASVYSBLSB-UHFFFAOYSA-N 2 1 412.603 3.610 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164837699 720725692 /nfs/dbraw/zinc/72/56/92/720725692.db2.gz GVXBTJLHYDGHST-DEOSSOPVSA-N 2 1 420.601 3.937 20 0 HHADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(OC(C)C)cc[nH+]3)C2)C1 ZINC001164777318 721353184 /nfs/dbraw/zinc/35/31/84/721353184.db2.gz GABSRKGGDDCUFS-HSZRJFAPSA-N 2 1 414.550 3.593 20 0 HHADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(OC(C)C)cc[nH+]3)C2)C1 ZINC001164777318 721353188 /nfs/dbraw/zinc/35/31/88/721353188.db2.gz GABSRKGGDDCUFS-HSZRJFAPSA-N 2 1 414.550 3.593 20 0 HHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc4c3CC[NH2+]C4)C[C@@H]21 ZINC001165023261 721821511 /nfs/dbraw/zinc/82/15/11/721821511.db2.gz ILVJZIUBJHOFLR-LKUPVBHCSA-N 2 1 411.981 3.513 20 0 HHADMP Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2cc(Cl)nc4c2CC[NH2+]C4)C3)c1 ZINC001164997303 722206673 /nfs/dbraw/zinc/20/66/73/722206673.db2.gz YYQVGNJWPVIKER-JOCHJYFZSA-N 2 1 400.929 3.765 20 0 HHADMP COc1cc2[nH+]c(NC[C@H]3CCC[N@H+](C)[C@H]3c3cccs3)nc(N)c2cc1OC ZINC000301427506 970922896 /nfs/dbraw/zinc/92/28/96/970922896.db2.gz PKGSEYIAMXYORZ-BFUOFWGJSA-N 2 1 413.547 3.786 20 0 HHADMP COc1cc2[nH+]c(NC[C@H]3CCC[N@@H+](C)[C@H]3c3cccs3)nc(N)c2cc1OC ZINC000301427506 970922902 /nfs/dbraw/zinc/92/29/02/970922902.db2.gz PKGSEYIAMXYORZ-BFUOFWGJSA-N 2 1 413.547 3.786 20 0 HHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(Nc4ccccc4)nc3)CC2)CC1 ZINC000553084361 1013053803 /nfs/dbraw/zinc/05/38/03/1013053803.db2.gz HMJVZOIUZVSHPP-UHFFFAOYSA-N 2 1 407.562 3.960 20 0 HHADMP COc1cccc2c(NCc3cccc(C[N@@H+]4CCC[C@@H](C(N)=O)C4)c3)cc(C)[nH+]c12 ZINC000301662113 971018918 /nfs/dbraw/zinc/01/89/18/971018918.db2.gz JWFSIFMNWAYEQY-HXUWFJFHSA-N 2 1 418.541 3.861 20 0 HHADMP COc1cccc2c(NCc3cccc(C[N@H+]4CCC[C@@H](C(N)=O)C4)c3)cc(C)[nH+]c12 ZINC000301662113 971018932 /nfs/dbraw/zinc/01/89/32/971018932.db2.gz JWFSIFMNWAYEQY-HXUWFJFHSA-N 2 1 418.541 3.861 20 0 HHADMP COC(=O)c1ccc(C)c(NC(=O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000303210524 971562509 /nfs/dbraw/zinc/56/25/09/971562509.db2.gz QWDWYHMDIMHINT-UHFFFAOYSA-N 2 1 423.557 3.564 20 0 HHADMP COC(=O)c1ccc(C)c(NC(=O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000303210524 971562519 /nfs/dbraw/zinc/56/25/19/971562519.db2.gz QWDWYHMDIMHINT-UHFFFAOYSA-N 2 1 423.557 3.564 20 0 HHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3sc4ccccc4c3Cl)CC2)CC1 ZINC000303316654 971624459 /nfs/dbraw/zinc/62/44/59/971624459.db2.gz ADJIRRCTFZFFOM-UHFFFAOYSA-N 2 1 405.995 3.931 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccs1 ZINC000303511334 971811206 /nfs/dbraw/zinc/81/12/06/971811206.db2.gz WZXRDMFTZUQEJA-VTHDOGFWSA-N 2 1 412.603 3.846 20 0 HHADMP COc1cc2c(c(C[N@@H+](C)CCC3CC[NH+](C4CCN(C)CC4)CC3)c1)O[C@@H](C)C2 ZINC000537622285 1013169616 /nfs/dbraw/zinc/16/96/16/1013169616.db2.gz UVBAUHAVYBPALI-IBGZPJMESA-N 2 1 415.622 3.647 20 0 HHADMP CC[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000537626895 1013175836 /nfs/dbraw/zinc/17/58/36/1013175836.db2.gz HTSZSSGGQABZSX-VWLOTQADSA-N 2 1 420.601 3.844 20 0 HHADMP Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c(-c2cccnc2)n1 ZINC000537629188 1013181077 /nfs/dbraw/zinc/18/10/77/1013181077.db2.gz YPRNXLDQKOHPBD-RUZDIDTESA-N 2 1 401.558 3.970 20 0 HHADMP Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c(-c2cccnc2)n1 ZINC000537629188 1013181087 /nfs/dbraw/zinc/18/10/87/1013181087.db2.gz YPRNXLDQKOHPBD-RUZDIDTESA-N 2 1 401.558 3.970 20 0 HHADMP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c(-c2cccnc2)n1 ZINC000537629188 1013181094 /nfs/dbraw/zinc/18/10/94/1013181094.db2.gz YPRNXLDQKOHPBD-RUZDIDTESA-N 2 1 401.558 3.970 20 0 HHADMP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c(-c2cccnc2)n1 ZINC000537629188 1013181106 /nfs/dbraw/zinc/18/11/06/1013181106.db2.gz YPRNXLDQKOHPBD-RUZDIDTESA-N 2 1 401.558 3.970 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(-c2nc(C)cs2)c1 ZINC000303855936 972396535 /nfs/dbraw/zinc/39/65/35/972396535.db2.gz VTBXIOJACAZABA-HXUWFJFHSA-N 2 1 400.592 3.607 20 0 HHADMP C[N@@H+](C[C@H](O)COc1ccccc1C(F)(F)F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000542279950 1013239582 /nfs/dbraw/zinc/23/95/82/1013239582.db2.gz GPFFQIDIBHXNBY-UXHICEINSA-N 2 1 422.491 3.899 20 0 HHADMP C[NH+](C[C@H](O)COc1ccccc1C(F)(F)F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000542279950 1013239595 /nfs/dbraw/zinc/23/95/95/1013239595.db2.gz GPFFQIDIBHXNBY-UXHICEINSA-N 2 1 422.491 3.899 20 0 HHADMP C[NH+](C[C@H](O)COc1ccccc1C(F)(F)F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000542279950 1013239599 /nfs/dbraw/zinc/23/95/99/1013239599.db2.gz GPFFQIDIBHXNBY-UXHICEINSA-N 2 1 422.491 3.899 20 0 HHADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc(C)c1OCc1ccccn1 ZINC000537693793 1013258577 /nfs/dbraw/zinc/25/85/77/1013258577.db2.gz ZEHFMTWICMAZAS-WXFUMESZSA-N 2 1 409.574 3.961 20 0 HHADMP CC(=O)N1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC12CCCCC2 ZINC000537708016 1013274573 /nfs/dbraw/zinc/27/45/73/1013274573.db2.gz PTQJCLMDYUIQRH-UHFFFAOYSA-N 2 1 412.622 3.584 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)[C@@H]3CCCc4ccccc43)cc2)CC1 ZINC000015404752 962750251 /nfs/dbraw/zinc/75/02/51/962750251.db2.gz NADGZBQIVRLZTD-XMMPIXPASA-N 2 1 406.574 3.776 20 0 HHADMP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537841368 1013403183 /nfs/dbraw/zinc/40/31/83/1013403183.db2.gz KPQBNVKEQBPCAJ-FQEVSTJZSA-N 2 1 406.574 3.593 20 0 HHADMP C[C@@H](C(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000553508007 1013408451 /nfs/dbraw/zinc/40/84/51/1013408451.db2.gz USJWGZDRYOVUNP-LVXARBLLSA-N 2 1 403.570 3.558 20 0 HHADMP C[C@@H](C(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)[N@H+]1CCc2ccccc2C1 ZINC000553508007 1013408456 /nfs/dbraw/zinc/40/84/56/1013408456.db2.gz USJWGZDRYOVUNP-LVXARBLLSA-N 2 1 403.570 3.558 20 0 HHADMP C[C@@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)[NH+]1CCc2ccccc2C1 ZINC000553508007 1013408460 /nfs/dbraw/zinc/40/84/60/1013408460.db2.gz USJWGZDRYOVUNP-LVXARBLLSA-N 2 1 403.570 3.558 20 0 HHADMP C[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[NH+]1CCc2ccccc2C1 ZINC000553508007 1013408462 /nfs/dbraw/zinc/40/84/62/1013408462.db2.gz USJWGZDRYOVUNP-LVXARBLLSA-N 2 1 403.570 3.558 20 0 HHADMP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537845753 1013410701 /nfs/dbraw/zinc/41/07/01/1013410701.db2.gz MQNXDKRPRHHRCB-NHCUHLMSSA-N 2 1 408.590 3.928 20 0 HHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000542464942 1013412619 /nfs/dbraw/zinc/41/26/19/1013412619.db2.gz OGSLXVOJLSWOIF-SFHVURJKSA-N 2 1 422.508 3.749 20 0 HHADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)NC(=O)Nc2ccccc2)CC1)CC1CC1 ZINC000537847683 1013413778 /nfs/dbraw/zinc/41/37/78/1013413778.db2.gz RVFKERGQSSKSEC-UHFFFAOYSA-N 2 1 400.567 3.559 20 0 HHADMP C[C@H]([NH2+]CC(=O)N(Cc1ccccc1)CC(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542534438 1013479167 /nfs/dbraw/zinc/47/91/67/1013479167.db2.gz ZXNRDLASFZPDMX-HKUYNNGSSA-N 2 1 411.512 3.820 20 0 HHADMP C[C@H]([NH2+]CC(=O)N(Cc1ccccc1)CC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542534438 1013479172 /nfs/dbraw/zinc/47/91/72/1013479172.db2.gz ZXNRDLASFZPDMX-HKUYNNGSSA-N 2 1 411.512 3.820 20 0 HHADMP CCOc1c(Cl)cc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1OC ZINC000025362155 964252322 /nfs/dbraw/zinc/25/23/22/964252322.db2.gz YJGJOINJLNCNMV-SFHVURJKSA-N 2 1 424.010 3.887 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(F)c1 ZINC000050137158 964274906 /nfs/dbraw/zinc/27/49/06/964274906.db2.gz INRDCHYKSJUYII-LAUBAEHRSA-N 2 1 418.582 3.701 20 0 HHADMP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C3CC[NH+](Cc4nccn4C)CC3)cc2)C1 ZINC000053190974 965085385 /nfs/dbraw/zinc/08/53/85/965085385.db2.gz YNHXUMGCKRVRJS-IBGZPJMESA-N 2 1 409.578 3.503 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3CC[NH+](Cc4nccn4C)CC3)cc2)C1 ZINC000053190974 965085402 /nfs/dbraw/zinc/08/54/02/965085402.db2.gz YNHXUMGCKRVRJS-IBGZPJMESA-N 2 1 409.578 3.503 20 0 HHADMP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000537968728 1013545738 /nfs/dbraw/zinc/54/57/38/1013545738.db2.gz UQUXZMXAHBYJMN-YESZJQIVSA-N 2 1 415.500 3.902 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)cc1 ZINC000537983465 1013558967 /nfs/dbraw/zinc/55/89/67/1013558967.db2.gz MYEAIQUEHOLAKK-ZHIIOGTKSA-N 2 1 400.526 3.988 20 0 HHADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000054608210 965581946 /nfs/dbraw/zinc/58/19/46/965581946.db2.gz ROMRTVQEVZZHAO-UHFFFAOYSA-N 2 1 410.566 3.564 20 0 HHADMP Cc1ccccc1C[NH+]1CCN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000031148615 965911629 /nfs/dbraw/zinc/91/16/29/965911629.db2.gz UTPQXBXXEFQDMY-UHFFFAOYSA-N 2 1 420.601 3.529 20 0 HHADMP CC(C)[C@@H](CNC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[NH+]1CCC(C)CC1 ZINC000031900556 966150514 /nfs/dbraw/zinc/15/05/14/966150514.db2.gz MDLZWDPOWHQNDE-ZFGGDYGUSA-N 2 1 415.622 3.782 20 0 HHADMP CC(C)[C@@H](CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[NH+]1CCC(C)CC1 ZINC000031900556 966150521 /nfs/dbraw/zinc/15/05/21/966150521.db2.gz MDLZWDPOWHQNDE-ZFGGDYGUSA-N 2 1 415.622 3.782 20 0 HHADMP CC1CC[NH+]([C@H](CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)c2ccccc2)CC1 ZINC000060558567 966205940 /nfs/dbraw/zinc/20/59/40/966205940.db2.gz FIJYCEJZSHJIAU-JOCHJYFZSA-N 2 1 400.611 3.975 20 0 HHADMP C[N@@H+](CCCNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)C1CCCCC1 ZINC000061036533 966356594 /nfs/dbraw/zinc/35/65/94/966356594.db2.gz YRQFKUJHJOYFSS-UHFFFAOYSA-N 2 1 406.640 3.914 20 0 HHADMP C[NH+]1CCN(c2ccccc2NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC000056572571 966377424 /nfs/dbraw/zinc/37/74/24/966377424.db2.gz NMWIDMIBZQTULW-UHFFFAOYSA-N 2 1 413.610 3.558 20 0 HHADMP CC1CC[NH+](CCCNC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000061498509 966480399 /nfs/dbraw/zinc/48/03/99/966480399.db2.gz OTBLKSCVJBFHQI-OAQYLSRUSA-N 2 1 400.611 3.982 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000061530288 966491730 /nfs/dbraw/zinc/49/17/30/966491730.db2.gz VJJXBTXYGWCTMQ-KDURUIRLSA-N 2 1 421.029 3.972 20 0 HHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000061791068 966555635 /nfs/dbraw/zinc/55/56/35/966555635.db2.gz SUKYRTAGKQKNSJ-LJQANCHMSA-N 2 1 418.651 3.910 20 0 HHADMP CN1CC[NH+](Cc2ccc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)cc2)CC1 ZINC000041617668 966605420 /nfs/dbraw/zinc/60/54/20/966605420.db2.gz ISRATFSFDXLRHJ-UHFFFAOYSA-N 2 1 406.574 3.672 20 0 HHADMP Cn1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000063319757 966816684 /nfs/dbraw/zinc/81/66/84/966816684.db2.gz YJRMWFWLAOLBHT-UHFFFAOYSA-N 2 1 424.589 3.993 20 0 HHADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000063463937 966866553 /nfs/dbraw/zinc/86/65/53/966866553.db2.gz HKGHCUKOIZSBEJ-VWLOTQADSA-N 2 1 420.601 3.994 20 0 HHADMP C[C@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542830216 1013695933 /nfs/dbraw/zinc/69/59/33/1013695933.db2.gz WRJRGDVYSMYONG-CDXJDZJCSA-N 2 1 407.002 3.895 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[NH+](Cc3ccccc3)C2)c1 ZINC000064228750 967095518 /nfs/dbraw/zinc/09/55/18/967095518.db2.gz LPNLNVPJXQNWJU-XMMPIXPASA-N 2 1 408.590 3.850 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000064228750 967095536 /nfs/dbraw/zinc/09/55/36/967095536.db2.gz LPNLNVPJXQNWJU-XMMPIXPASA-N 2 1 408.590 3.850 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000064228750 967095547 /nfs/dbraw/zinc/09/55/47/967095547.db2.gz LPNLNVPJXQNWJU-XMMPIXPASA-N 2 1 408.590 3.850 20 0 HHADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000542848286 1013707152 /nfs/dbraw/zinc/70/71/52/1013707152.db2.gz WWOWGQWSIVPEPS-CYFREDJKSA-N 2 1 424.589 3.978 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CCCCC1 ZINC000064644159 967258193 /nfs/dbraw/zinc/25/81/93/967258193.db2.gz WPXNNRWHGFYPLT-RXVVDRJESA-N 2 1 406.640 3.770 20 0 HHADMP CC(C)(C)CC[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000064754332 967283855 /nfs/dbraw/zinc/28/38/55/967283855.db2.gz WQTROVHLLRLLEK-LJQANCHMSA-N 2 1 406.640 3.724 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCC[NH+](C)Cc1ccco1 ZINC000553944220 1013714933 /nfs/dbraw/zinc/71/49/33/1013714933.db2.gz BSAFTAIEFDSPOU-OFNKIYASSA-N 2 1 412.578 3.654 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000553944220 1013714942 /nfs/dbraw/zinc/71/49/42/1013714942.db2.gz BSAFTAIEFDSPOU-OFNKIYASSA-N 2 1 412.578 3.654 20 0 HHADMP O[C@@H](C[NH2+]Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C[NH+]1CCCC1 ZINC000065274804 967423556 /nfs/dbraw/zinc/42/35/56/967423556.db2.gz VUBXASSPMUCRKP-QFIPXVFZSA-N 2 1 424.976 3.798 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)c1ccco1 ZINC000065482492 967490176 /nfs/dbraw/zinc/49/01/76/967490176.db2.gz OFFCNPLMGWDUCD-JOCHJYFZSA-N 2 1 412.578 3.888 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000065518110 967503427 /nfs/dbraw/zinc/50/34/27/967503427.db2.gz HKBRHTMMHRLPAP-JOCHJYFZSA-N 2 1 412.578 3.573 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000065521303 967505289 /nfs/dbraw/zinc/50/52/89/967505289.db2.gz HNHRFVTWCULQJE-KNQAVFIVSA-N 2 1 412.553 3.734 20 0 HHADMP COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000538167282 1013727634 /nfs/dbraw/zinc/72/76/34/1013727634.db2.gz BIADSYMNYYTWES-QZTJIDSGSA-N 2 1 413.537 3.654 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(N3CCCCC3)nc2)cc1 ZINC000542884874 1013733020 /nfs/dbraw/zinc/73/30/20/1013733020.db2.gz IPJATEMUJFEVKK-GOSISDBHSA-N 2 1 418.545 3.855 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)NCCCC[NH+]3CCCC[C@H]3C)CC2)cc1 ZINC000046750616 967951512 /nfs/dbraw/zinc/95/15/12/967951512.db2.gz QNQKXEJUBQDBKQ-OAQYLSRUSA-N 2 1 416.610 3.567 20 0 HHADMP COc1ccc(C[NH+]2CCCN(C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000046750616 967951518 /nfs/dbraw/zinc/95/15/18/967951518.db2.gz QNQKXEJUBQDBKQ-OAQYLSRUSA-N 2 1 416.610 3.567 20 0 HHADMP COc1ccc(C[NH+]2CCCN(C(=O)NCCCC[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000046750616 967951521 /nfs/dbraw/zinc/95/15/21/967951521.db2.gz QNQKXEJUBQDBKQ-OAQYLSRUSA-N 2 1 416.610 3.567 20 0 HHADMP COc1ccc(CNC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1OC ZINC000538263618 1013805388 /nfs/dbraw/zinc/80/53/88/1013805388.db2.gz ZXKAFKFTEJECIY-DLBZAZTESA-N 2 1 422.529 3.553 20 0 HHADMP C[NH+](C)CCOC1CC[NH+](Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000538306822 1013839900 /nfs/dbraw/zinc/83/99/00/1013839900.db2.gz ZXUKIQQODAOXHQ-UHFFFAOYSA-N 2 1 407.299 3.593 20 0 HHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000554259099 1013880962 /nfs/dbraw/zinc/88/09/62/1013880962.db2.gz BGEUWRNNUZZKRW-FQEVSTJZSA-N 2 1 402.539 3.563 20 0 HHADMP CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000109345940 969503027 /nfs/dbraw/zinc/50/30/27/969503027.db2.gz DZCPSWVQTZMQMQ-BGYRXZFFSA-N 2 1 409.574 3.678 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000109345940 969503032 /nfs/dbraw/zinc/50/30/32/969503032.db2.gz DZCPSWVQTZMQMQ-BGYRXZFFSA-N 2 1 409.574 3.678 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000109345940 969503041 /nfs/dbraw/zinc/50/30/41/969503041.db2.gz DZCPSWVQTZMQMQ-BGYRXZFFSA-N 2 1 409.574 3.678 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000109345940 969503046 /nfs/dbraw/zinc/50/30/46/969503046.db2.gz DZCPSWVQTZMQMQ-BGYRXZFFSA-N 2 1 409.574 3.678 20 0 HHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)CC1 ZINC000554262956 1013882583 /nfs/dbraw/zinc/88/25/83/1013882583.db2.gz FGQCGUPWBLXWQL-HYBUGGRVSA-N 2 1 406.574 3.507 20 0 HHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)CC1 ZINC000554262956 1013882589 /nfs/dbraw/zinc/88/25/89/1013882589.db2.gz FGQCGUPWBLXWQL-HYBUGGRVSA-N 2 1 406.574 3.507 20 0 HHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@H](C)C[C@@H]2c2cccnc2)CC1 ZINC000554262956 1013882596 /nfs/dbraw/zinc/88/25/96/1013882596.db2.gz FGQCGUPWBLXWQL-HYBUGGRVSA-N 2 1 406.574 3.507 20 0 HHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@H](C)C[C@@H]2c2cccnc2)CC1 ZINC000554262956 1013882602 /nfs/dbraw/zinc/88/26/02/1013882602.db2.gz FGQCGUPWBLXWQL-HYBUGGRVSA-N 2 1 406.574 3.507 20 0 HHADMP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000110434157 969667692 /nfs/dbraw/zinc/66/76/92/969667692.db2.gz ZUIILEJJBWWFLI-FGTMMUONSA-N 2 1 407.986 3.797 20 0 HHADMP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000110434157 969667712 /nfs/dbraw/zinc/66/77/12/969667712.db2.gz ZUIILEJJBWWFLI-FGTMMUONSA-N 2 1 407.986 3.797 20 0 HHADMP C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000110798231 969724858 /nfs/dbraw/zinc/72/48/58/969724858.db2.gz LUBUYOLPYIHKPW-IBGZPJMESA-N 2 1 411.615 3.865 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc(CC[NH+]4CCCC4)cc3)CC2)cs1 ZINC000111215512 969806407 /nfs/dbraw/zinc/80/64/07/969806407.db2.gz ZTYLGFUAWFTPDU-UHFFFAOYSA-N 2 1 412.603 3.941 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000195647005 969931254 /nfs/dbraw/zinc/93/12/54/969931254.db2.gz LPZZQPMYULKADW-PGRDOPGGSA-N 2 1 424.614 3.631 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000195647005 969931260 /nfs/dbraw/zinc/93/12/60/969931260.db2.gz LPZZQPMYULKADW-PGRDOPGGSA-N 2 1 424.614 3.631 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000195647005 969931265 /nfs/dbraw/zinc/93/12/65/969931265.db2.gz LPZZQPMYULKADW-PGRDOPGGSA-N 2 1 424.614 3.631 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000195647005 969931271 /nfs/dbraw/zinc/93/12/71/969931271.db2.gz LPZZQPMYULKADW-PGRDOPGGSA-N 2 1 424.614 3.631 20 0 HHADMP C[N@@H+]1CCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)[C@H](c2ccccc2)C1 ZINC000142213543 970145908 /nfs/dbraw/zinc/14/59/08/970145908.db2.gz UMXYMHSJYZKITR-QFIPXVFZSA-N 2 1 412.603 3.658 20 0 HHADMP C[N@H+]1CCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)[C@H](c2ccccc2)C1 ZINC000142213543 970145911 /nfs/dbraw/zinc/14/59/11/970145911.db2.gz UMXYMHSJYZKITR-QFIPXVFZSA-N 2 1 412.603 3.658 20 0 HHADMP C[C@@H]1[C@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000554451172 1013954575 /nfs/dbraw/zinc/95/45/75/1013954575.db2.gz BRMZGOPGHCSNAC-HYBUGGRVSA-N 2 1 406.574 3.613 20 0 HHADMP COCC[NH+]1CCC([NH2+]Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)CC1 ZINC000237108647 970224039 /nfs/dbraw/zinc/22/40/39/970224039.db2.gz ZKGGTIGXTKOELD-INIZCTEOSA-N 2 1 414.390 3.759 20 0 HHADMP COCC[NH+]1CCC([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000237129232 970228151 /nfs/dbraw/zinc/22/81/51/970228151.db2.gz IDDWQCWOKBMEFX-UHFFFAOYSA-N 2 1 410.587 3.860 20 0 HHADMP COc1ccc(C[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)cc1F ZINC000237264230 970250732 /nfs/dbraw/zinc/25/07/32/970250732.db2.gz VEEBAIFZFXYVGY-UHFFFAOYSA-N 2 1 402.510 3.614 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[NH2+][C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2cc1C ZINC000554540719 1013973913 /nfs/dbraw/zinc/97/39/13/1013973913.db2.gz FMGXGZHMWJYQCE-MDNUFGMLSA-N 2 1 406.574 3.514 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C1 ZINC000237522874 970307729 /nfs/dbraw/zinc/30/77/29/970307729.db2.gz FZEHORXTBNHYEL-LJQANCHMSA-N 2 1 412.578 3.850 20 0 HHADMP Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237609078 970322454 /nfs/dbraw/zinc/32/24/54/970322454.db2.gz PCJHEHXABYOZDC-IYBDPMFKSA-N 2 1 408.949 3.952 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2)c1 ZINC000237837523 970377454 /nfs/dbraw/zinc/37/74/54/970377454.db2.gz XCCGEOUNMRPKIH-UHFFFAOYSA-N 2 1 422.356 3.944 20 0 HHADMP OC1CC[NH+](CCC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000238158973 970452552 /nfs/dbraw/zinc/45/25/52/970452552.db2.gz FDBFFPONZUQKRJ-UHFFFAOYSA-N 2 1 410.587 3.596 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000250822033 970540070 /nfs/dbraw/zinc/54/00/70/970540070.db2.gz TVXWIIZQHMUYKK-RPBOFIJWSA-N 2 1 405.586 3.579 20 0 HHADMP O=C(NC[C@H]1CC[NH+](CCc2ccccc2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000250822033 970540077 /nfs/dbraw/zinc/54/00/77/970540077.db2.gz TVXWIIZQHMUYKK-RPBOFIJWSA-N 2 1 405.586 3.579 20 0 HHADMP O=C(NC[C@H]1CC[NH+](CCc2ccccc2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000250822033 970540083 /nfs/dbraw/zinc/54/00/83/970540083.db2.gz TVXWIIZQHMUYKK-RPBOFIJWSA-N 2 1 405.586 3.579 20 0 HHADMP COc1c(Br)cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000252673003 970557163 /nfs/dbraw/zinc/55/71/63/970557163.db2.gz GBMCKFUSKZUQKF-OLZOCXBDSA-N 2 1 418.173 3.937 20 0 HHADMP COc1c(Br)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000252673003 970557167 /nfs/dbraw/zinc/55/71/67/970557167.db2.gz GBMCKFUSKZUQKF-OLZOCXBDSA-N 2 1 418.173 3.937 20 0 HHADMP COc1cccc([C@@H](CNC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)[NH+]2CCCC2)c1 ZINC000195614941 970557294 /nfs/dbraw/zinc/55/72/94/970557294.db2.gz XWGUUOPZAGNVJO-DENIHFKCSA-N 2 1 416.610 3.642 20 0 HHADMP C[N@H+]1CCCN(c2ccc(-c3noc(-c4ccc(C[NH+]5CCCC5)cc4)n3)cn2)CC1 ZINC000554808386 1014053080 /nfs/dbraw/zinc/05/30/80/1014053080.db2.gz PBEWOZAGPSYAFG-UHFFFAOYSA-N 2 1 418.545 3.536 20 0 HHADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)COc1ccc(Cl)cc1Cl ZINC000389120859 972809796 /nfs/dbraw/zinc/80/97/96/972809796.db2.gz OPVHWSGYZVPTEK-LJQANCHMSA-N 2 1 409.357 3.987 20 0 HHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000389148565 972810345 /nfs/dbraw/zinc/81/03/45/972810345.db2.gz WPULOWLNJNWNCW-AEFFLSMTSA-N 2 1 416.363 3.888 20 0 HHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000389148565 972810358 /nfs/dbraw/zinc/81/03/58/972810358.db2.gz WPULOWLNJNWNCW-AEFFLSMTSA-N 2 1 416.363 3.888 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000554820708 1014059440 /nfs/dbraw/zinc/05/94/40/1014059440.db2.gz XYZLXLFCWACCFM-XMMPIXPASA-N 2 1 405.586 3.993 20 0 HHADMP CSc1cccc(F)c1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000409806305 973279338 /nfs/dbraw/zinc/27/93/38/973279338.db2.gz TWESAFCCYUANED-UHFFFAOYSA-N 2 1 407.599 3.816 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000410311086 973852658 /nfs/dbraw/zinc/85/26/58/973852658.db2.gz SCZHKFZVCCRAIK-NRFANRHFSA-N 2 1 400.611 3.505 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000410332402 973908311 /nfs/dbraw/zinc/90/83/11/973908311.db2.gz KIOGENWTLDECBW-UHFFFAOYSA-N 2 1 420.601 3.795 20 0 HHADMP CC1CC[NH+](CCCNC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000410351205 973940409 /nfs/dbraw/zinc/94/04/09/973940409.db2.gz LJIMGDZKNHUUJC-NRFANRHFSA-N 2 1 400.611 3.840 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000410371394 973966541 /nfs/dbraw/zinc/96/65/41/973966541.db2.gz DLVJHFXFMXZIMX-UHFFFAOYSA-N 2 1 412.578 3.926 20 0 HHADMP CC[N@@H+](CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1)CCC(F)(F)F ZINC000425995995 974109482 /nfs/dbraw/zinc/10/94/82/974109482.db2.gz NXSIUMKCLISUEY-DOTOQJQBSA-N 2 1 420.545 3.705 20 0 HHADMP CC[NH+](CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)CCC(F)(F)F ZINC000425995995 974109487 /nfs/dbraw/zinc/10/94/87/974109487.db2.gz NXSIUMKCLISUEY-DOTOQJQBSA-N 2 1 420.545 3.705 20 0 HHADMP CC[NH+](CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)CCC(F)(F)F ZINC000425995995 974109512 /nfs/dbraw/zinc/10/95/12/974109512.db2.gz NXSIUMKCLISUEY-DOTOQJQBSA-N 2 1 420.545 3.705 20 0 HHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2ccnc2)C1 ZINC000426012226 974130393 /nfs/dbraw/zinc/13/03/93/974130393.db2.gz CGHFYUATANJIIN-STZQEDGTSA-N 2 1 409.578 3.921 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000426125908 974248525 /nfs/dbraw/zinc/24/85/25/974248525.db2.gz IBOJGOYEACMSQB-UGKGYDQZSA-N 2 1 402.583 3.745 20 0 HHADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000426134919 974256001 /nfs/dbraw/zinc/25/60/01/974256001.db2.gz BJMHUCWDMVPPGA-OAQYLSRUSA-N 2 1 402.583 3.889 20 0 HHADMP CCc1nc(C[NH+]2CCC(CNC(=O)C3(C[NH+](C)C)CCCCC3)CC2)cs1 ZINC000426288617 974373310 /nfs/dbraw/zinc/37/33/10/974373310.db2.gz KDWHYSRYEALAQY-UHFFFAOYSA-N 2 1 406.640 3.546 20 0 HHADMP Cc1cc(C)c(NC(=O)C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC000426774532 974650746 /nfs/dbraw/zinc/65/07/46/974650746.db2.gz PCFGJWRWGKJECM-SFTDATJTSA-N 2 1 401.595 3.762 20 0 HHADMP CC(C)N(C(=O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000426785551 974658337 /nfs/dbraw/zinc/65/83/37/974658337.db2.gz QEYFBUYZMLUQJX-OYRHEFFESA-N 2 1 401.595 3.639 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)cc1 ZINC000427147388 974940046 /nfs/dbraw/zinc/94/00/46/974940046.db2.gz MAYPNNHMUCOQPI-HSZRJFAPSA-N 2 1 401.595 3.636 20 0 HHADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000427486127 975142542 /nfs/dbraw/zinc/14/25/42/975142542.db2.gz HVFNCLUCCBFCMC-UHFFFAOYSA-N 2 1 406.574 3.591 20 0 HHADMP CNC(=O)c1cccc(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000428233813 975553094 /nfs/dbraw/zinc/55/30/94/975553094.db2.gz USPILPOFVBLRPK-ISJGIBHGSA-N 2 1 405.586 3.869 20 0 HHADMP Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)C2)cn1 ZINC000428243775 975559709 /nfs/dbraw/zinc/55/97/09/975559709.db2.gz UPEIXSMZLXRGCV-ZCAIMPEWSA-N 2 1 407.606 3.669 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NCCC[NH+](C)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000428273327 975587280 /nfs/dbraw/zinc/58/72/80/975587280.db2.gz ZTRSPCYDEJKXMZ-QPPBQGQZSA-N 2 1 408.590 3.861 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NCCC[N@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000428273327 975587287 /nfs/dbraw/zinc/58/72/87/975587287.db2.gz ZTRSPCYDEJKXMZ-QPPBQGQZSA-N 2 1 408.590 3.861 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NCCC[N@@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000428273327 975587294 /nfs/dbraw/zinc/58/72/94/975587294.db2.gz ZTRSPCYDEJKXMZ-QPPBQGQZSA-N 2 1 408.590 3.861 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000428923091 976224429 /nfs/dbraw/zinc/22/44/29/976224429.db2.gz DJMRWTSJNGWGGY-GHTZIAJQSA-N 2 1 413.528 3.883 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000428923091 976224437 /nfs/dbraw/zinc/22/44/37/976224437.db2.gz DJMRWTSJNGWGGY-GHTZIAJQSA-N 2 1 413.528 3.883 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000429245102 976534411 /nfs/dbraw/zinc/53/44/11/976534411.db2.gz IWUXFGACOSWQHF-SFHVURJKSA-N 2 1 424.467 3.862 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000429245102 976534420 /nfs/dbraw/zinc/53/44/20/976534420.db2.gz IWUXFGACOSWQHF-SFHVURJKSA-N 2 1 424.467 3.862 20 0 HHADMP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cc1Cl ZINC000429406999 976683067 /nfs/dbraw/zinc/68/30/67/976683067.db2.gz JHEHYAROWHZYDG-SFHLNBCPSA-N 2 1 418.990 3.744 20 0 HHADMP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1Cl ZINC000429406999 976683071 /nfs/dbraw/zinc/68/30/71/976683071.db2.gz JHEHYAROWHZYDG-SFHLNBCPSA-N 2 1 418.990 3.744 20 0 HHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000430014776 977271986 /nfs/dbraw/zinc/27/19/86/977271986.db2.gz YOLGGRGMPDONIR-QFIPXVFZSA-N 2 1 400.950 3.985 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1SCCc2sccc21 ZINC000430665244 977676695 /nfs/dbraw/zinc/67/66/95/977676695.db2.gz AHJIKHQYPNERDW-OAQYLSRUSA-N 2 1 421.676 3.733 20 0 HHADMP Cc1ccc(C(=O)CCC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000430676414 977686695 /nfs/dbraw/zinc/68/66/95/977686695.db2.gz DCYIEWJZCNCFIJ-UHFFFAOYSA-N 2 1 419.635 3.674 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCc1cc(F)ccc1F ZINC000430677504 977687973 /nfs/dbraw/zinc/68/79/73/977687973.db2.gz GGEGNFYKEDXMBO-UHFFFAOYSA-N 2 1 407.549 3.552 20 0 HHADMP COc1ccc(Cl)cc1CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430681633 977691854 /nfs/dbraw/zinc/69/18/54/977691854.db2.gz FHNIQJPHMVLCMQ-UHFFFAOYSA-N 2 1 422.013 3.546 20 0 HHADMP Cc1onc(-c2ccccc2)c1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430684117 977694340 /nfs/dbraw/zinc/69/43/40/977694340.db2.gz MEWJVUYANWHZHD-UHFFFAOYSA-N 2 1 424.589 3.918 20 0 HHADMP COc1ccccc1COC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000430828637 977784344 /nfs/dbraw/zinc/78/43/44/977784344.db2.gz BXGZBILIQYUYHZ-TUACAJSNSA-N 2 1 412.574 3.558 20 0 HHADMP COc1ccccc1COC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000430828637 977784355 /nfs/dbraw/zinc/78/43/55/977784355.db2.gz BXGZBILIQYUYHZ-TUACAJSNSA-N 2 1 412.574 3.558 20 0 HHADMP COc1ccccc1COC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000430828637 977784362 /nfs/dbraw/zinc/78/43/62/977784362.db2.gz BXGZBILIQYUYHZ-TUACAJSNSA-N 2 1 412.574 3.558 20 0 HHADMP COc1ccccc1COC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000430828637 977784368 /nfs/dbraw/zinc/78/43/68/977784368.db2.gz BXGZBILIQYUYHZ-TUACAJSNSA-N 2 1 412.574 3.558 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC(=O)Nc3ccc(F)c(Cl)c3)CC2)CC1 ZINC000430919431 977886806 /nfs/dbraw/zinc/88/68/06/977886806.db2.gz QKKHABHKWFQOON-UHFFFAOYSA-N 2 1 424.992 3.546 20 0 HHADMP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430933414 977898265 /nfs/dbraw/zinc/89/82/65/977898265.db2.gz KMYFRULWLBFBNU-HXUWFJFHSA-N 2 1 414.638 3.704 20 0 HHADMP C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430938841 977901407 /nfs/dbraw/zinc/90/14/07/977901407.db2.gz JLVRCGAIPLCUNB-KRWDZBQOSA-N 2 1 417.623 3.987 20 0 HHADMP Cc1cc(Cl)ccc1NC(=O)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430939102 977901909 /nfs/dbraw/zinc/90/19/09/977901909.db2.gz FCWLCPBJUQJVAL-UHFFFAOYSA-N 2 1 421.029 3.715 20 0 HHADMP CSc1ccc(OCC[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000430940634 977902768 /nfs/dbraw/zinc/90/27/68/977902768.db2.gz QCSGITRELBZVAL-UHFFFAOYSA-N 2 1 405.652 3.915 20 0 HHADMP CSc1ccc(OCC[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000430940634 977902775 /nfs/dbraw/zinc/90/27/75/977902775.db2.gz QCSGITRELBZVAL-UHFFFAOYSA-N 3 1 405.652 3.915 20 0 HHADMP CSc1ccc(OCC[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000430940634 977902780 /nfs/dbraw/zinc/90/27/80/977902780.db2.gz QCSGITRELBZVAL-UHFFFAOYSA-N 3 1 405.652 3.915 20 0 HHADMP C[C@@H](c1nc(-c2cccs2)no1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430950406 977909520 /nfs/dbraw/zinc/90/95/20/977909520.db2.gz HRRZKZOGLXTBSP-KRWDZBQOSA-N 2 1 417.623 3.987 20 0 HHADMP Cc1cc(NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000431129376 978037249 /nfs/dbraw/zinc/03/72/49/978037249.db2.gz PZEDYIDVXYKRCU-HXUWFJFHSA-N 2 1 424.593 3.587 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1c(F)cc(F)cc1F ZINC000431197207 978088172 /nfs/dbraw/zinc/08/81/72/978088172.db2.gz JGVXCAIPLFEZKS-UHFFFAOYSA-N 2 1 412.500 3.764 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCC(C)(C)c1cccs1 ZINC000431694094 978440897 /nfs/dbraw/zinc/44/08/97/978440897.db2.gz VLAYSTUZJXHEOU-UHFFFAOYSA-N 2 1 420.667 3.863 20 0 HHADMP C[NH+](C)[C@@H](CC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccccc1 ZINC000431764077 978494154 /nfs/dbraw/zinc/49/41/54/978494154.db2.gz DVZZVKIOQALTKB-QFIPXVFZSA-N 2 1 401.501 3.738 20 0 HHADMP C[C@@H](Cc1ccccc1F)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431774105 978502067 /nfs/dbraw/zinc/50/20/67/978502067.db2.gz DKZIRCDHLBFQMT-IBGZPJMESA-N 2 1 418.601 3.594 20 0 HHADMP Cc1ccc2c(c1)CC[C@H]2NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431780249 978507517 /nfs/dbraw/zinc/50/75/17/978507517.db2.gz XRYHWQHBCCBTPK-XMMPIXPASA-N 2 1 412.622 3.820 20 0 HHADMP COc1ccc([C@H](C)NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000431788223 978513700 /nfs/dbraw/zinc/51/37/00/978513700.db2.gz YESJTVVECGKOIX-IBGZPJMESA-N 2 1 416.610 3.594 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000431800759 978523418 /nfs/dbraw/zinc/52/34/18/978523418.db2.gz MFDSOLXSNPCEJE-PKTZIBPZSA-N 2 1 416.585 3.519 20 0 HHADMP C[C@@H](CCc1ccccc1)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431863708 978558586 /nfs/dbraw/zinc/55/85/86/978558586.db2.gz STVQKRYTJGZUSI-NRFANRHFSA-N 2 1 414.638 3.845 20 0 HHADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431914594 978597830 /nfs/dbraw/zinc/59/78/30/978597830.db2.gz SZBCSCOWTKTEJO-HSZRJFAPSA-N 2 1 410.606 3.701 20 0 HHADMP C[C@@H](CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)[N@H+]1CCC[C@@H](C)C1 ZINC000431920828 978602253 /nfs/dbraw/zinc/60/22/53/978602253.db2.gz VKLDBZDPELXNDY-YADHBBJMSA-N 2 1 412.622 3.805 20 0 HHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432344569 978769280 /nfs/dbraw/zinc/76/92/80/978769280.db2.gz DUGBGPBPDNJGDO-KRWDZBQOSA-N 2 1 404.986 3.792 20 0 HHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432344569 978769283 /nfs/dbraw/zinc/76/92/83/978769283.db2.gz DUGBGPBPDNJGDO-KRWDZBQOSA-N 2 1 404.986 3.792 20 0 HHADMP C[C@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC[N@H+](C2CCC2)C1 ZINC000432770914 978969087 /nfs/dbraw/zinc/96/90/87/978969087.db2.gz YJAVSROXDNWEFJ-LJQANCHMSA-N 2 1 416.635 3.616 20 0 HHADMP COc1cc(C[NH+]2CC[C@H](C)C[C@@H]2[C@H](C)O)cc(C[N@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c1 ZINC000432791799 978975204 /nfs/dbraw/zinc/97/52/04/978975204.db2.gz IBLPFWAWDGOHMX-NPIQEYAPSA-N 2 1 418.622 3.658 20 0 HHADMP COc1cc(C[NH+]2CC[C@H](C)C[C@H]2[C@@H](C)O)cc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c1 ZINC000432791799 978975207 /nfs/dbraw/zinc/97/52/07/978975207.db2.gz IBLPFWAWDGOHMX-NPIQEYAPSA-N 2 1 418.622 3.658 20 0 HHADMP COc1cc(C[NH+]2CC[C@H](C)C[C@H]2[C@@H](C)O)cc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c1 ZINC000432791799 978975209 /nfs/dbraw/zinc/97/52/09/978975209.db2.gz IBLPFWAWDGOHMX-NPIQEYAPSA-N 2 1 418.622 3.658 20 0 HHADMP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N[C@@H]1CCOc2ccccc21 ZINC000433074016 979059571 /nfs/dbraw/zinc/05/95/71/979059571.db2.gz HNVFANWBLDJCNU-HSZRJFAPSA-N 2 1 419.569 3.615 20 0 HHADMP CC(=O)c1cccc(OC[C@H](O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433125930 979086072 /nfs/dbraw/zinc/08/60/72/979086072.db2.gz AOCAPWMPOZLDCS-XMMPIXPASA-N 2 1 422.569 3.617 20 0 HHADMP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433125348 979086626 /nfs/dbraw/zinc/08/66/26/979086626.db2.gz JMSVDUMRINIFTE-FQEVSTJZSA-N 2 1 420.557 3.711 20 0 HHADMP COc1cc(C[NH+]2CCCC[C@@H]2C[C@H](C)O)cc(C[N@H+]2CCCC[C@H]2C[C@@H](C)O)c1 ZINC000433203440 979139173 /nfs/dbraw/zinc/13/91/73/979139173.db2.gz XOAMQSBXMMFFRC-XZOTUCIWSA-N 2 1 418.622 3.946 20 0 HHADMP COc1cc(C[NH+]2CCCC[C@H]2C[C@@H](C)O)cc(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)c1 ZINC000433203440 979139177 /nfs/dbraw/zinc/13/91/77/979139177.db2.gz XOAMQSBXMMFFRC-XZOTUCIWSA-N 2 1 418.622 3.946 20 0 HHADMP COc1cc(C[NH+]2CCCC[C@H]2C[C@@H](C)O)cc(C[N@H+]2CCCC[C@@H]2C[C@H](C)O)c1 ZINC000433203440 979139184 /nfs/dbraw/zinc/13/91/84/979139184.db2.gz XOAMQSBXMMFFRC-XZOTUCIWSA-N 2 1 418.622 3.946 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCC[NH+]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000433916925 979678073 /nfs/dbraw/zinc/67/80/73/979678073.db2.gz BUZXBLUSUDDOFT-BLIXFSHQSA-N 2 1 422.976 3.788 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000433916925 979678082 /nfs/dbraw/zinc/67/80/82/979678082.db2.gz BUZXBLUSUDDOFT-BLIXFSHQSA-N 2 1 422.976 3.788 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000433916925 979678088 /nfs/dbraw/zinc/67/80/88/979678088.db2.gz BUZXBLUSUDDOFT-BLIXFSHQSA-N 2 1 422.976 3.788 20 0 HHADMP O=C(C[NH+]1CCC(F)(c2ccccc2)CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000434495084 980210739 /nfs/dbraw/zinc/21/07/39/980210739.db2.gz RSCVWOQFDZKHAE-UHFFFAOYSA-N 2 1 409.549 3.859 20 0 HHADMP Cc1cc(NC(=O)N[C@H](C)C[NH+]2CCCCC2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435529250 980923592 /nfs/dbraw/zinc/92/35/92/980923592.db2.gz REHXLUIXCROLAO-IFMALSPDSA-N 2 1 424.593 3.634 20 0 HHADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000435752639 981016183 /nfs/dbraw/zinc/01/61/83/981016183.db2.gz YYJWXWHMNNBPIF-JOCHJYFZSA-N 2 1 413.610 3.665 20 0 HHADMP CN(c1ccccc1)c1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000435787788 981031443 /nfs/dbraw/zinc/03/14/43/981031443.db2.gz ARPKZWPMIPPINP-RUZDIDTESA-N 2 1 402.542 3.576 20 0 HHADMP CN(c1ccccc1)c1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000435787788 981031449 /nfs/dbraw/zinc/03/14/49/981031449.db2.gz ARPKZWPMIPPINP-RUZDIDTESA-N 2 1 402.542 3.576 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)c2)CC1 ZINC000436373917 981333736 /nfs/dbraw/zinc/33/37/36/981333736.db2.gz VKXANMCAAMFMNR-HSZRJFAPSA-N 2 1 413.610 3.747 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)CC1 ZINC000448201574 981613407 /nfs/dbraw/zinc/61/34/07/981613407.db2.gz BPRREHYMYNSSMY-IBGZPJMESA-N 2 1 409.578 3.610 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000448211652 981625609 /nfs/dbraw/zinc/62/56/09/981625609.db2.gz HTNARSARNMKQHO-VQTJNVASSA-N 2 1 406.640 3.627 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000448211652 981625611 /nfs/dbraw/zinc/62/56/11/981625611.db2.gz HTNARSARNMKQHO-VQTJNVASSA-N 2 1 406.640 3.627 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000448211652 981625614 /nfs/dbraw/zinc/62/56/14/981625614.db2.gz HTNARSARNMKQHO-VQTJNVASSA-N 2 1 406.640 3.627 20 0 HHADMP Cn1cc[nH+]c1CC1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000448211610 981625656 /nfs/dbraw/zinc/62/56/56/981625656.db2.gz HJJGOCRBOXLETD-UHFFFAOYSA-N 2 1 423.605 3.960 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000448258931 981659601 /nfs/dbraw/zinc/65/96/01/981659601.db2.gz ZQWFAPQCWZSRTH-FCEUIQTBSA-N 2 1 400.611 3.801 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC[NH+]1Cc1ccccc1 ZINC000448258931 981659603 /nfs/dbraw/zinc/65/96/03/981659603.db2.gz ZQWFAPQCWZSRTH-FCEUIQTBSA-N 2 1 400.611 3.801 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC[NH+]1Cc1ccccc1 ZINC000448258931 981659605 /nfs/dbraw/zinc/65/96/05/981659605.db2.gz ZQWFAPQCWZSRTH-FCEUIQTBSA-N 2 1 400.611 3.801 20 0 HHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000448365748 981726124 /nfs/dbraw/zinc/72/61/24/981726124.db2.gz JUQVWUMRZUEICR-XXBNENTESA-N 2 1 414.594 3.888 20 0 HHADMP C[C@H](c1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1)[NH+]1CCOCC1 ZINC000448369235 981728984 /nfs/dbraw/zinc/72/89/84/981728984.db2.gz ZDTSRSLZHSSQNB-XQFWAAQXSA-N 2 1 412.578 3.560 20 0 HHADMP C[C@H](c1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1)[NH+]1CCOCC1 ZINC000448369235 981728989 /nfs/dbraw/zinc/72/89/89/981728989.db2.gz ZDTSRSLZHSSQNB-XQFWAAQXSA-N 2 1 412.578 3.560 20 0 HHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448372772 981731666 /nfs/dbraw/zinc/73/16/66/981731666.db2.gz HJKLAKOZFNWZGG-KNQAVFIVSA-N 2 1 414.594 3.888 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000448400993 981754473 /nfs/dbraw/zinc/75/44/73/981754473.db2.gz BVDJJDMFKOTTOO-NRFANRHFSA-N 2 1 418.651 3.767 20 0 HHADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448410869 981762661 /nfs/dbraw/zinc/76/26/61/981762661.db2.gz QODYRXIYBAKHNU-DENIHFKCSA-N 2 1 414.619 3.716 20 0 HHADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448410869 981762664 /nfs/dbraw/zinc/76/26/64/981762664.db2.gz QODYRXIYBAKHNU-DENIHFKCSA-N 2 1 414.619 3.716 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000448463437 981797229 /nfs/dbraw/zinc/79/72/29/981797229.db2.gz BTRHOMJDMUWTTQ-BVSLBCMMSA-N 2 1 416.610 3.594 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000448465792 981800418 /nfs/dbraw/zinc/80/04/18/981800418.db2.gz JNSWEHQNSGGOBB-MZKRTTBSSA-N 2 1 400.611 3.790 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000448465792 981800435 /nfs/dbraw/zinc/80/04/35/981800435.db2.gz JNSWEHQNSGGOBB-MZKRTTBSSA-N 2 1 400.611 3.790 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000448465792 981800454 /nfs/dbraw/zinc/80/04/54/981800454.db2.gz JNSWEHQNSGGOBB-MZKRTTBSSA-N 2 1 400.611 3.790 20 0 HHADMP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448466109 981800753 /nfs/dbraw/zinc/80/07/53/981800753.db2.gz MIGILULBEDXFGB-DFQSSKMNSA-N 2 1 402.608 3.543 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH+](CC(C)C)C1 ZINC000448467177 981803099 /nfs/dbraw/zinc/80/30/99/981803099.db2.gz PLJYOJUAHGTOGW-ZEQRLZLVSA-N 2 1 414.638 3.908 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000448467177 981803111 /nfs/dbraw/zinc/80/31/11/981803111.db2.gz PLJYOJUAHGTOGW-ZEQRLZLVSA-N 2 1 414.638 3.908 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000448467177 981803121 /nfs/dbraw/zinc/80/31/21/981803121.db2.gz PLJYOJUAHGTOGW-ZEQRLZLVSA-N 2 1 414.638 3.908 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)[C@@H](C)C1 ZINC000448468505 981807504 /nfs/dbraw/zinc/80/75/04/981807504.db2.gz VLBWCCBUGWWFAQ-MZKRTTBSSA-N 2 1 400.611 3.933 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)[C@@H](C)C1 ZINC000448468505 981807517 /nfs/dbraw/zinc/80/75/17/981807517.db2.gz VLBWCCBUGWWFAQ-MZKRTTBSSA-N 2 1 400.611 3.933 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)[C@@H](C)C1 ZINC000448468505 981807530 /nfs/dbraw/zinc/80/75/30/981807530.db2.gz VLBWCCBUGWWFAQ-MZKRTTBSSA-N 2 1 400.611 3.933 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000448472118 981813506 /nfs/dbraw/zinc/81/35/06/981813506.db2.gz NNRRTMNVLASYNP-DHIUTWEWSA-N 2 1 400.611 3.518 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000448472118 981813523 /nfs/dbraw/zinc/81/35/23/981813523.db2.gz NNRRTMNVLASYNP-DHIUTWEWSA-N 2 1 400.611 3.518 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000448472118 981813552 /nfs/dbraw/zinc/81/35/52/981813552.db2.gz NNRRTMNVLASYNP-DHIUTWEWSA-N 2 1 400.611 3.518 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000448519927 981848322 /nfs/dbraw/zinc/84/83/22/981848322.db2.gz GRHRPPPGXFAHBV-AXLRLQSMSA-N 2 1 424.633 3.801 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448519927 981848341 /nfs/dbraw/zinc/84/83/41/981848341.db2.gz GRHRPPPGXFAHBV-AXLRLQSMSA-N 2 1 424.633 3.801 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448519927 981848348 /nfs/dbraw/zinc/84/83/48/981848348.db2.gz GRHRPPPGXFAHBV-AXLRLQSMSA-N 2 1 424.633 3.801 20 0 HHADMP Cc1ccc(NC(=O)NC(=O)C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c(C)c1 ZINC000460348091 982119642 /nfs/dbraw/zinc/11/96/42/982119642.db2.gz OHGNULMKFDOMLA-WOJBJXKFSA-N 2 1 422.573 3.698 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N1CCSc2ccccc21 ZINC000460357752 982131445 /nfs/dbraw/zinc/13/14/45/982131445.db2.gz UZBOCPFHYBXUFS-OALUTQOASA-N 2 1 409.599 3.872 20 0 HHADMP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000437573633 982205441 /nfs/dbraw/zinc/20/54/41/982205441.db2.gz BYQJZDWMBXVVHX-IBGZPJMESA-N 2 1 422.017 3.820 20 0 HHADMP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000437847561 982404455 /nfs/dbraw/zinc/40/44/55/982404455.db2.gz SGFAEQRCFUTSCL-QGZVFWFLSA-N 2 1 403.477 3.732 20 0 HHADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000437847561 982404459 /nfs/dbraw/zinc/40/44/59/982404459.db2.gz SGFAEQRCFUTSCL-QGZVFWFLSA-N 2 1 403.477 3.732 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000438155829 982619977 /nfs/dbraw/zinc/61/99/77/982619977.db2.gz RPPMGCCWCBAQSX-UPVQGACJSA-N 2 1 412.622 3.947 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438155829 982619987 /nfs/dbraw/zinc/61/99/87/982619987.db2.gz RPPMGCCWCBAQSX-UPVQGACJSA-N 2 1 412.622 3.947 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000438155829 982619991 /nfs/dbraw/zinc/61/99/91/982619991.db2.gz RPPMGCCWCBAQSX-UPVQGACJSA-N 2 1 412.622 3.947 20 0 HHADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438348771 982737187 /nfs/dbraw/zinc/73/71/87/982737187.db2.gz YXCYIYFJHSEKDB-HSZRJFAPSA-N 2 1 413.610 3.737 20 0 HHADMP CCC(CC)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000461073734 982770791 /nfs/dbraw/zinc/77/07/91/982770791.db2.gz HOZFQAKOLRXEIW-TUACAJSNSA-N 2 1 415.622 3.635 20 0 HHADMP CCC(CC)[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000461073734 982770797 /nfs/dbraw/zinc/77/07/97/982770797.db2.gz HOZFQAKOLRXEIW-TUACAJSNSA-N 2 1 415.622 3.635 20 0 HHADMP O=C(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438540366 982878297 /nfs/dbraw/zinc/87/82/97/982878297.db2.gz JMGMOUMKVMIBDJ-JOCHJYFZSA-N 2 1 419.997 3.706 20 0 HHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000438824140 983097507 /nfs/dbraw/zinc/09/75/07/983097507.db2.gz BEXCUMYLOOATKT-KUXWUFDLSA-N 2 1 421.629 3.902 20 0 HHADMP O=C(N1CC[C@H](C[NH+]2CCCCC2)C1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000461446674 983111305 /nfs/dbraw/zinc/11/13/05/983111305.db2.gz LGWDIEQKFINQDK-IRLDBZIGSA-N 2 1 423.523 3.775 20 0 HHADMP O=C(c1ccc(Cn2ccnc2)cc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461451810 983117370 /nfs/dbraw/zinc/11/73/70/983117370.db2.gz TVJLIYYADXNOPH-BJKOFHAPSA-N 2 1 400.526 3.526 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000439737464 983520387 /nfs/dbraw/zinc/52/03/87/983520387.db2.gz YFPIWVYQNDNJPA-WZONZLPQSA-N 2 1 410.537 3.527 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000439737464 983520393 /nfs/dbraw/zinc/52/03/93/983520393.db2.gz YFPIWVYQNDNJPA-WZONZLPQSA-N 2 1 410.537 3.527 20 0 HHADMP O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000439962369 983596514 /nfs/dbraw/zinc/59/65/14/983596514.db2.gz PYDWEYTUCSKEKF-JOCHJYFZSA-N 2 1 412.578 3.847 20 0 HHADMP O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000440138106 983657010 /nfs/dbraw/zinc/65/70/10/983657010.db2.gz VIMIWNLDFXVBNV-QFIPXVFZSA-N 2 1 412.578 3.847 20 0 HHADMP C[NH+](C)CC1CCC(NC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CC1 ZINC000440854862 983937325 /nfs/dbraw/zinc/93/73/25/983937325.db2.gz DCKCPVGUZXJWSB-UHFFFAOYSA-N 2 1 412.578 3.831 20 0 HHADMP C[NH+](C)CC1CCC(NC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CC1 ZINC000440854862 983937329 /nfs/dbraw/zinc/93/73/29/983937329.db2.gz DCKCPVGUZXJWSB-UHFFFAOYSA-N 2 1 412.578 3.831 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000441249300 984137608 /nfs/dbraw/zinc/13/76/08/984137608.db2.gz CGOWRYYKJZHGBW-AGILITTLSA-N 2 1 423.557 3.991 20 0 HHADMP CN(C)c1cccc([C@H]2CCC[N@H+]2CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000441346049 984199674 /nfs/dbraw/zinc/19/96/74/984199674.db2.gz MPMHRIHVXPMAQE-RUZDIDTESA-N 2 1 420.601 3.802 20 0 HHADMP O=C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Br)cc1F ZINC000441400474 984231584 /nfs/dbraw/zinc/23/15/84/984231584.db2.gz LJDZWPZAVWQOHJ-AUUYWEPGSA-N 2 1 424.358 3.866 20 0 HHADMP O=C(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Br)cc1F ZINC000441400474 984231589 /nfs/dbraw/zinc/23/15/89/984231589.db2.gz LJDZWPZAVWQOHJ-AUUYWEPGSA-N 2 1 424.358 3.866 20 0 HHADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(Br)cc1F ZINC000441400474 984231594 /nfs/dbraw/zinc/23/15/94/984231594.db2.gz LJDZWPZAVWQOHJ-AUUYWEPGSA-N 2 1 424.358 3.866 20 0 HHADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(Br)cc1F ZINC000441400474 984231599 /nfs/dbraw/zinc/23/15/99/984231599.db2.gz LJDZWPZAVWQOHJ-AUUYWEPGSA-N 2 1 424.358 3.866 20 0 HHADMP COc1ccc([C@H](CNC(=O)C[N@H+](C)CCc2cccs2)[NH+]2CCCCC2)cc1 ZINC000441508826 984294302 /nfs/dbraw/zinc/29/43/02/984294302.db2.gz IYATXXMFQFSZIU-QFIPXVFZSA-N 2 1 415.603 3.574 20 0 HHADMP COc1ccc([C@H](CNC(=O)C[N@@H+](C)CCc2cccs2)[NH+]2CCCCC2)cc1 ZINC000441508826 984294306 /nfs/dbraw/zinc/29/43/06/984294306.db2.gz IYATXXMFQFSZIU-QFIPXVFZSA-N 2 1 415.603 3.574 20 0 HHADMP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000461891082 984914008 /nfs/dbraw/zinc/91/40/08/984914008.db2.gz UMJSDSXNRKBIFU-NRFANRHFSA-N 2 1 401.620 3.519 20 0 HHADMP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000461891082 984914015 /nfs/dbraw/zinc/91/40/15/984914015.db2.gz UMJSDSXNRKBIFU-NRFANRHFSA-N 2 1 401.620 3.519 20 0 HHADMP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1cc(C[NH+]2CCCC2)on1 ZINC000462058734 985032688 /nfs/dbraw/zinc/03/26/88/985032688.db2.gz YWNGGIUKXHCACO-UHFFFAOYSA-N 2 1 416.953 3.566 20 0 HHADMP COCC[NH+]1CCC(NC[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462114858 985084262 /nfs/dbraw/zinc/08/42/62/985084262.db2.gz YJTDARXPPBEYCY-NQIIRXRSSA-N 2 1 413.528 3.789 20 0 HHADMP CSC1(CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[NH+](C)CC1 ZINC000462515259 985465757 /nfs/dbraw/zinc/46/57/57/985465757.db2.gz WVLPFSFPAKDHIT-TZIWHRDSSA-N 2 1 418.651 3.508 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000462520336 985470205 /nfs/dbraw/zinc/47/02/05/985470205.db2.gz HDTDJCAZWWLAFN-NTKDMRAZSA-N 2 1 424.564 3.610 20 0 HHADMP CCN(C(=O)CC1([NH+]2CCOCC2)CCCC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000467980531 985625578 /nfs/dbraw/zinc/62/55/78/985625578.db2.gz ZCIXFDIJGGGPMO-JTHBVZDNSA-N 2 1 413.606 3.706 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000462687606 985627509 /nfs/dbraw/zinc/62/75/09/985627509.db2.gz SDJGLGSSJNUORS-GBXCKJPGSA-N 2 1 406.574 3.602 20 0 HHADMP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000462736457 985680455 /nfs/dbraw/zinc/68/04/55/985680455.db2.gz DYYDCWUAOMDMKU-QFIPXVFZSA-N 2 1 400.611 3.805 20 0 HHADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC[NH+](C2CCCC2)CC1 ZINC000462750524 985692167 /nfs/dbraw/zinc/69/21/67/985692167.db2.gz PDDLMEREFMMYAH-QHCPKHFHSA-N 2 1 412.622 3.949 20 0 HHADMP O=C(NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000462750524 985692171 /nfs/dbraw/zinc/69/21/71/985692171.db2.gz PDDLMEREFMMYAH-QHCPKHFHSA-N 2 1 412.622 3.949 20 0 HHADMP O=C(NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000462750524 985692177 /nfs/dbraw/zinc/69/21/77/985692177.db2.gz PDDLMEREFMMYAH-QHCPKHFHSA-N 2 1 412.622 3.949 20 0 HHADMP COc1ccc(F)cc1C[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000462778202 985714514 /nfs/dbraw/zinc/71/45/14/985714514.db2.gz KAQRZLQGOMTOPF-UHFFFAOYSA-N 2 1 402.510 3.614 20 0 HHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000443634769 985814968 /nfs/dbraw/zinc/81/49/68/985814968.db2.gz SRCGFKJHYNDGLX-UTKZUKDTSA-N 2 1 407.002 3.534 20 0 HHADMP CC(C)O[C@H]1C[C@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C1(C)C ZINC000463015380 985970586 /nfs/dbraw/zinc/97/05/86/985970586.db2.gz WZIACWMBCMAXBR-GOTSBHOMSA-N 2 1 404.595 3.858 20 0 HHADMP Fc1ccc(CC[NH+]2CCC(NCC3([NH+]4CCSCC4)CCCC3)CC2)cc1 ZINC000463146795 986116739 /nfs/dbraw/zinc/11/67/39/986116739.db2.gz UCUQNSITBVTMCI-UHFFFAOYSA-N 2 1 405.627 3.784 20 0 HHADMP c1ccc(CC[NH+]2CCC([NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)CC2)cc1 ZINC000463156662 986127957 /nfs/dbraw/zinc/12/79/57/986127957.db2.gz OJVGQIMCXHRJAL-UHFFFAOYSA-N 3 1 407.602 3.958 20 0 HHADMP c1ccc(CC[NH+]2CCC(NCc3ccc(OCC[NH+]4CCCC4)cc3)CC2)cc1 ZINC000463156662 986127961 /nfs/dbraw/zinc/12/79/61/986127961.db2.gz OJVGQIMCXHRJAL-UHFFFAOYSA-N 2 1 407.602 3.958 20 0 HHADMP COc1cc(NCC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc(OC)c1 ZINC000463206541 986178227 /nfs/dbraw/zinc/17/82/27/986178227.db2.gz PVQPHZZXXFVEKT-UHFFFAOYSA-N 2 1 401.526 3.552 20 0 HHADMP Cc1cc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)nc(C)n1 ZINC000463232393 986199916 /nfs/dbraw/zinc/19/99/16/986199916.db2.gz FQSBSXOUDQOSIF-CWAQXLGLSA-N 2 1 405.590 3.847 20 0 HHADMP C[C@@H](CCc1ccccc1F)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000468510744 986211999 /nfs/dbraw/zinc/21/19/99/986211999.db2.gz IDMUSRFNJHKOJW-IBGZPJMESA-N 2 1 413.537 3.597 20 0 HHADMP C[NH+](C)CCC1CC[NH+](Cc2cc(Br)cc(Br)c2N)CC1 ZINC000463285235 986252285 /nfs/dbraw/zinc/25/22/85/986252285.db2.gz RVUMIWZHCHTVHH-UHFFFAOYSA-N 2 1 419.205 3.958 20 0 HHADMP C[NH+](C)CCOc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000463287787 986255044 /nfs/dbraw/zinc/25/50/44/986255044.db2.gz XXIYGAKOUPKXLD-QILAJZQNSA-N 3 1 407.602 3.955 20 0 HHADMP C[NH+](C)CCOc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000463287787 986255048 /nfs/dbraw/zinc/25/50/48/986255048.db2.gz XXIYGAKOUPKXLD-QILAJZQNSA-N 2 1 407.602 3.955 20 0 HHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000468553295 986259075 /nfs/dbraw/zinc/25/90/75/986259075.db2.gz KYSNQVXFUYSATI-WZONZLPQSA-N 2 1 404.501 3.836 20 0 HHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000468553295 986259087 /nfs/dbraw/zinc/25/90/87/986259087.db2.gz KYSNQVXFUYSATI-WZONZLPQSA-N 2 1 404.501 3.836 20 0 HHADMP Cc1cc(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)n([C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000444236749 986425852 /nfs/dbraw/zinc/42/58/52/986425852.db2.gz JLMRDNBASFIIHV-CUXKYVRBSA-N 2 1 409.578 3.838 20 0 HHADMP Cc1cc(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000444236749 986425855 /nfs/dbraw/zinc/42/58/55/986425855.db2.gz JLMRDNBASFIIHV-CUXKYVRBSA-N 2 1 409.578 3.838 20 0 HHADMP Cc1cc(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000444236749 986425859 /nfs/dbraw/zinc/42/58/59/986425859.db2.gz JLMRDNBASFIIHV-CUXKYVRBSA-N 2 1 409.578 3.838 20 0 HHADMP COc1cccc([C@@H](CNC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[NH+](C)C)c1 ZINC000444340850 986519890 /nfs/dbraw/zinc/51/98/90/986519890.db2.gz RKCFRBDBMQKOPT-GAJHUEQPSA-N 2 1 421.545 3.852 20 0 HHADMP COc1cccc([C@@H](CNC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[NH+](C)C)c1 ZINC000444340853 986520003 /nfs/dbraw/zinc/52/00/03/986520003.db2.gz RKCFRBDBMQKOPT-UZUQRXQVSA-N 2 1 421.545 3.852 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000444345816 986528410 /nfs/dbraw/zinc/52/84/10/986528410.db2.gz VZDJPGVXDFBAQU-ZEQRLZLVSA-N 2 1 420.601 3.835 20 0 HHADMP CC[C@@H]1CCCC[C@@H]1OCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000463567040 986544231 /nfs/dbraw/zinc/54/42/31/986544231.db2.gz DNJIRFAWRFWPKA-GGAORHGYSA-N 2 1 407.643 3.627 20 0 HHADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)c2sc(-c3ccccc3)nc2C)CC1 ZINC000468897387 986604317 /nfs/dbraw/zinc/60/43/17/986604317.db2.gz ILPIMYNAZQPNFJ-QGZVFWFLSA-N 2 1 400.592 3.712 20 0 HHADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)c2sc(-c3ccccc3)nc2C)CC1 ZINC000468897387 986604323 /nfs/dbraw/zinc/60/43/23/986604323.db2.gz ILPIMYNAZQPNFJ-QGZVFWFLSA-N 2 1 400.592 3.712 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000444589003 986775454 /nfs/dbraw/zinc/77/54/54/986775454.db2.gz HLZFNKPXTBQIKQ-MOPGFXCFSA-N 2 1 417.557 3.988 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000444589003 986775458 /nfs/dbraw/zinc/77/54/58/986775458.db2.gz HLZFNKPXTBQIKQ-MOPGFXCFSA-N 2 1 417.557 3.988 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cc1 ZINC000444599649 986786472 /nfs/dbraw/zinc/78/64/72/986786472.db2.gz XCUXMGMUVYRACY-XMSQKQJNSA-N 2 1 405.546 3.714 20 0 HHADMP O=C(CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000444604135 986791333 /nfs/dbraw/zinc/79/13/33/986791333.db2.gz ZWZROUKWMIXLAX-IZZNHLLZSA-N 2 1 417.597 3.948 20 0 HHADMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000444604135 986791338 /nfs/dbraw/zinc/79/13/38/986791338.db2.gz ZWZROUKWMIXLAX-IZZNHLLZSA-N 2 1 417.597 3.948 20 0 HHADMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000444604135 986791348 /nfs/dbraw/zinc/79/13/48/986791348.db2.gz ZWZROUKWMIXLAX-IZZNHLLZSA-N 2 1 417.597 3.948 20 0 HHADMP C[NH+](C)CCCOc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000469086337 986798793 /nfs/dbraw/zinc/79/87/93/986798793.db2.gz WPFQYQYYYDTFSF-XMMPIXPASA-N 2 1 409.574 3.688 20 0 HHADMP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CC[NH+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444719349 986893205 /nfs/dbraw/zinc/89/32/05/986893205.db2.gz QSIKBQNPTBOQHK-GOTSBHOMSA-N 2 1 410.606 3.844 20 0 HHADMP O=C(N[C@H]1CC[NH+]2CCC[C@H]2C1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444719349 986893218 /nfs/dbraw/zinc/89/32/18/986893218.db2.gz QSIKBQNPTBOQHK-GOTSBHOMSA-N 2 1 410.606 3.844 20 0 HHADMP O=C(N[C@H]1CC[NH+]2CCC[C@H]2C1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444719349 986893229 /nfs/dbraw/zinc/89/32/29/986893229.db2.gz QSIKBQNPTBOQHK-GOTSBHOMSA-N 2 1 410.606 3.844 20 0 HHADMP COc1ccc2[nH]c(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CCN(C)CC3)cc2c1 ZINC000469367107 987064354 /nfs/dbraw/zinc/06/43/54/987064354.db2.gz JKVZYQIGWXERQP-GOTSBHOMSA-N 2 1 412.578 3.586 20 0 HHADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000469412310 987103683 /nfs/dbraw/zinc/10/36/83/987103683.db2.gz QNYMGVBWKFZHFK-HNNXBMFYSA-N 2 1 405.493 3.835 20 0 HHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000469412310 987103690 /nfs/dbraw/zinc/10/36/90/987103690.db2.gz QNYMGVBWKFZHFK-HNNXBMFYSA-N 2 1 405.493 3.835 20 0 HHADMP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)cc2)CC1 ZINC000469522179 987197933 /nfs/dbraw/zinc/19/79/33/987197933.db2.gz OSSKTXKJDNBDDQ-VXKWHMMOSA-N 2 1 412.622 3.555 20 0 HHADMP Cc1nc2ccc(C(=O)N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)cc2s1 ZINC000469533550 987208507 /nfs/dbraw/zinc/20/85/07/987208507.db2.gz PPYUKALFBGOZHT-UHFFFAOYSA-N 2 1 414.619 3.873 20 0 HHADMP C[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000469535864 987209765 /nfs/dbraw/zinc/20/97/65/987209765.db2.gz RBKPKSUULAVPJJ-SFHVURJKSA-N 2 1 422.013 3.762 20 0 HHADMP CC1(C)CCC[N@@H+](CCNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000445236639 987296146 /nfs/dbraw/zinc/29/61/46/987296146.db2.gz HDLXXKWJZTZNJM-UHFFFAOYSA-N 2 1 404.624 3.521 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCCO3)[C@@H](C)C1 ZINC000469788832 987433748 /nfs/dbraw/zinc/43/37/48/987433748.db2.gz CEQKYUZXWDFLTE-FXAWDEMLSA-N 2 1 410.986 3.770 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)[C@H](C)C1 ZINC000469790663 987435338 /nfs/dbraw/zinc/43/53/38/987435338.db2.gz MKNOEWVVPDQTHP-SBHAEUEKSA-N 2 1 415.578 3.679 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)[C@H](C)C1 ZINC000469790663 987435340 /nfs/dbraw/zinc/43/53/40/987435340.db2.gz MKNOEWVVPDQTHP-SBHAEUEKSA-N 2 1 415.578 3.679 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)[C@@H]1c1cccs1 ZINC000463965943 988078973 /nfs/dbraw/zinc/07/89/73/988078973.db2.gz GDDMLHPIZHQLKB-DBXWQHBBSA-N 2 1 416.591 3.860 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000470189806 988107519 /nfs/dbraw/zinc/10/75/19/988107519.db2.gz YYJRYHDKKDOQEV-PKOBYXMFSA-N 2 1 412.500 3.624 20 0 HHADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000470244623 988185126 /nfs/dbraw/zinc/18/51/26/988185126.db2.gz BLWAUKUMOFTGKJ-OLZOCXBDSA-N 2 1 405.178 3.756 20 0 HHADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000470244622 988185351 /nfs/dbraw/zinc/18/53/51/988185351.db2.gz BLWAUKUMOFTGKJ-CHWSQXEVSA-N 2 1 405.178 3.756 20 0 HHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470278176 988232349 /nfs/dbraw/zinc/23/23/49/988232349.db2.gz DBWPAVZEZMZTNC-QYZOEREBSA-N 2 1 412.500 3.576 20 0 HHADMP CC(C)[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1)C(F)(F)F ZINC000470438726 988410232 /nfs/dbraw/zinc/41/02/32/988410232.db2.gz QDUNKIFWJZALSO-SQNIBIBYSA-N 2 1 406.537 3.552 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000470721913 988747882 /nfs/dbraw/zinc/74/78/82/988747882.db2.gz DKPGWNBOOJNERT-RPWUZVMVSA-N 2 1 408.590 3.904 20 0 HHADMP CN(C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470737997 988773837 /nfs/dbraw/zinc/77/38/37/988773837.db2.gz RSBXVYPWAVAJSW-RTWAWAEBSA-N 2 1 400.592 3.657 20 0 HHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000470738475 988774848 /nfs/dbraw/zinc/77/48/48/988774848.db2.gz UQOHPESREWGJKE-UGKGYDQZSA-N 2 1 419.013 3.850 20 0 HHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000470738473 988775422 /nfs/dbraw/zinc/77/54/22/988775422.db2.gz UQOHPESREWGJKE-KNQAVFIVSA-N 2 1 419.013 3.850 20 0 HHADMP CN(C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470746265 988785933 /nfs/dbraw/zinc/78/59/33/988785933.db2.gz NBRJZGGTDAKGQS-ZEQRLZLVSA-N 2 1 406.574 3.567 20 0 HHADMP CN(C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470746265 988785939 /nfs/dbraw/zinc/78/59/39/988785939.db2.gz NBRJZGGTDAKGQS-ZEQRLZLVSA-N 2 1 406.574 3.567 20 0 HHADMP CN(C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470746265 988785947 /nfs/dbraw/zinc/78/59/47/988785947.db2.gz NBRJZGGTDAKGQS-ZEQRLZLVSA-N 2 1 406.574 3.567 20 0 HHADMP CN(C(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470748193 988788180 /nfs/dbraw/zinc/78/81/80/988788180.db2.gz VDAGWHDDPZLPHF-VQTJNVASSA-N 2 1 400.592 3.657 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000470751259 988792686 /nfs/dbraw/zinc/79/26/86/988792686.db2.gz IWRWDLMRKGFVGG-JTHBVZDNSA-N 2 1 424.589 3.604 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000470751259 988792694 /nfs/dbraw/zinc/79/26/94/988792694.db2.gz IWRWDLMRKGFVGG-JTHBVZDNSA-N 2 1 424.589 3.604 20 0 HHADMP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c2cccs2)CC1 ZINC000470753552 988795729 /nfs/dbraw/zinc/79/57/29/988795729.db2.gz FHYVVMZHKKIDFX-LEWJYISDSA-N 2 1 418.651 3.894 20 0 HHADMP O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000470889736 988962079 /nfs/dbraw/zinc/96/20/79/988962079.db2.gz RKFTUJNFWUKAHZ-RBBKRZOGSA-N 2 1 419.013 3.822 20 0 HHADMP O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000470889736 988962088 /nfs/dbraw/zinc/96/20/88/988962088.db2.gz RKFTUJNFWUKAHZ-RBBKRZOGSA-N 2 1 419.013 3.822 20 0 HHADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000464781621 989008834 /nfs/dbraw/zinc/00/88/34/989008834.db2.gz TZRHTPKXKAGFNB-ZBFHGGJFSA-N 2 1 419.791 3.506 20 0 HHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000464781621 989008842 /nfs/dbraw/zinc/00/88/42/989008842.db2.gz TZRHTPKXKAGFNB-ZBFHGGJFSA-N 2 1 419.791 3.506 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000464831201 989071238 /nfs/dbraw/zinc/07/12/38/989071238.db2.gz MPJWFGCNURPBCP-WOJBJXKFSA-N 2 1 406.640 3.798 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000464946264 989238198 /nfs/dbraw/zinc/23/81/98/989238198.db2.gz HBVNEOJGRTUJAJ-QHCPKHFHSA-N 2 1 400.611 3.840 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000464953761 989249933 /nfs/dbraw/zinc/24/99/33/989249933.db2.gz RUVSFWPOPZYDDZ-HSZRJFAPSA-N 2 1 400.611 3.696 20 0 HHADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000471296945 989457503 /nfs/dbraw/zinc/45/75/03/989457503.db2.gz IPMVNTXRPUDXAV-UPVQGACJSA-N 2 1 409.549 3.819 20 0 HHADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000471296945 989457513 /nfs/dbraw/zinc/45/75/13/989457513.db2.gz IPMVNTXRPUDXAV-UPVQGACJSA-N 2 1 409.549 3.819 20 0 HHADMP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000471296945 989457522 /nfs/dbraw/zinc/45/75/22/989457522.db2.gz IPMVNTXRPUDXAV-UPVQGACJSA-N 2 1 409.549 3.819 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000471296945 989457535 /nfs/dbraw/zinc/45/75/35/989457535.db2.gz IPMVNTXRPUDXAV-UPVQGACJSA-N 2 1 409.549 3.819 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000471353964 989521932 /nfs/dbraw/zinc/52/19/32/989521932.db2.gz PYHUUYXWWXUFQK-NHCUHLMSSA-N 2 1 405.586 3.708 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000471540223 989740147 /nfs/dbraw/zinc/74/01/47/989740147.db2.gz NFXCXSOIQNGGAA-KNQAVFIVSA-N 2 1 414.981 3.764 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000471540223 989740153 /nfs/dbraw/zinc/74/01/53/989740153.db2.gz NFXCXSOIQNGGAA-KNQAVFIVSA-N 2 1 414.981 3.764 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000465393398 989743197 /nfs/dbraw/zinc/74/31/97/989743197.db2.gz CBQMQEYQJKMSGF-WWNPGLIZSA-N 2 1 400.611 3.659 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000465393398 989743204 /nfs/dbraw/zinc/74/32/04/989743204.db2.gz CBQMQEYQJKMSGF-WWNPGLIZSA-N 2 1 400.611 3.659 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000465393398 989743215 /nfs/dbraw/zinc/74/32/15/989743215.db2.gz CBQMQEYQJKMSGF-WWNPGLIZSA-N 2 1 400.611 3.659 20 0 HHADMP COc1ccc([C@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)[NH+]2CCCCC2)cc1 ZINC000465414480 989760929 /nfs/dbraw/zinc/76/09/29/989760929.db2.gz UAAXPWBGJFOSFQ-GMAHTHKFSA-N 2 1 416.610 3.738 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000465427308 989772534 /nfs/dbraw/zinc/77/25/34/989772534.db2.gz ISGJCDQGFBPFQF-XMMPIXPASA-N 2 1 420.601 3.815 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)Cc1ccccc1 ZINC000465430292 989775403 /nfs/dbraw/zinc/77/54/03/989775403.db2.gz GZZLNGWVANCJRP-JAXLGGSGSA-N 2 1 414.619 3.603 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cccc(F)c1 ZINC000465436236 989782117 /nfs/dbraw/zinc/78/21/17/989782117.db2.gz VDNNLCITTCDJBT-YFVAEKQCSA-N 2 1 418.582 3.872 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000471601326 989804910 /nfs/dbraw/zinc/80/49/10/989804910.db2.gz ILCSXOJUXBVGFF-UNMCSNQZSA-N 2 1 414.619 3.952 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000471601323 989805066 /nfs/dbraw/zinc/80/50/66/989805066.db2.gz ILCSXOJUXBVGFF-IFMALSPDSA-N 2 1 414.619 3.952 20 0 HHADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000465519177 989871714 /nfs/dbraw/zinc/87/17/14/989871714.db2.gz GAZXOGIOPQNTAQ-ZRCGQRJVSA-N 2 1 400.611 3.790 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C)[NH+]1CCCC[C@H]1C ZINC000465530012 989889694 /nfs/dbraw/zinc/88/96/94/989889694.db2.gz XYXNTLFRXBQKCP-FUPPJEDESA-N 2 1 400.611 3.803 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000465530012 989889706 /nfs/dbraw/zinc/88/97/06/989889706.db2.gz XYXNTLFRXBQKCP-FUPPJEDESA-N 2 1 400.611 3.803 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000465530012 989889713 /nfs/dbraw/zinc/88/97/13/989889713.db2.gz XYXNTLFRXBQKCP-FUPPJEDESA-N 2 1 400.611 3.803 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000465535290 989898384 /nfs/dbraw/zinc/89/83/84/989898384.db2.gz AKSOEXCWGRUFFJ-JTJHWIPRSA-N 2 1 406.640 3.798 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000465535290 989898391 /nfs/dbraw/zinc/89/83/91/989898391.db2.gz AKSOEXCWGRUFFJ-JTJHWIPRSA-N 2 1 406.640 3.798 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000465535290 989898397 /nfs/dbraw/zinc/89/83/97/989898397.db2.gz AKSOEXCWGRUFFJ-JTJHWIPRSA-N 2 1 406.640 3.798 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000465546586 989909409 /nfs/dbraw/zinc/90/94/09/989909409.db2.gz DKWSYRFWXPDAHT-FQEVSTJZSA-N 2 1 400.611 3.840 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)CC[C@H]3CCCC[NH+]3C)cc2)C1 ZINC000465555708 989919295 /nfs/dbraw/zinc/91/92/95/989919295.db2.gz YTUMEWAKMNNPCI-NZQKXSOJSA-N 2 1 400.611 3.934 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N(C)CC[C@H]3CCCC[N@@H+]3C)cc2)C1 ZINC000465555708 989919306 /nfs/dbraw/zinc/91/93/06/989919306.db2.gz YTUMEWAKMNNPCI-NZQKXSOJSA-N 2 1 400.611 3.934 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N(C)CC[C@H]3CCCC[N@H+]3C)cc2)C1 ZINC000465555708 989919316 /nfs/dbraw/zinc/91/93/16/989919316.db2.gz YTUMEWAKMNNPCI-NZQKXSOJSA-N 2 1 400.611 3.934 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000465558289 989923093 /nfs/dbraw/zinc/92/30/93/989923093.db2.gz OJSHDXLCLWFLLM-FQEVSTJZSA-N 2 1 400.611 3.982 20 0 HHADMP CCC(CC)[C@H](CNC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1)[NH+]1CCCC1 ZINC000465583080 989955383 /nfs/dbraw/zinc/95/53/83/989955383.db2.gz WIGWJFSJTIXYHY-NRFANRHFSA-N 2 1 401.599 3.559 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000465593856 989973219 /nfs/dbraw/zinc/97/32/19/989973219.db2.gz HMOPEAUISYGQEZ-HSZRJFAPSA-N 2 1 400.611 3.662 20 0 HHADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)cc1 ZINC000465622469 990007823 /nfs/dbraw/zinc/00/78/23/990007823.db2.gz DPJFTPIAZXZHNA-UHFFFAOYSA-N 2 1 409.578 3.700 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000465632453 990018984 /nfs/dbraw/zinc/01/89/84/990018984.db2.gz NUQFQCDREPOLJM-PZJWPPBQSA-N 2 1 400.592 3.692 20 0 HHADMP C[N@@H+](CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000465747439 990132895 /nfs/dbraw/zinc/13/28/95/990132895.db2.gz FOPKXCHERTVZLH-FPOVZHCZSA-N 2 1 400.592 3.562 20 0 HHADMP C[NH+](CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000465747439 990132902 /nfs/dbraw/zinc/13/29/02/990132902.db2.gz FOPKXCHERTVZLH-FPOVZHCZSA-N 2 1 400.592 3.562 20 0 HHADMP C[NH+](CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000465747439 990132908 /nfs/dbraw/zinc/13/29/08/990132908.db2.gz FOPKXCHERTVZLH-FPOVZHCZSA-N 2 1 400.592 3.562 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000465802920 990184659 /nfs/dbraw/zinc/18/46/59/990184659.db2.gz ACUDIURRAXXKJN-FYYLOGMGSA-N 2 1 400.611 3.660 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)[NH+](C)C)cc1 ZINC000465814223 990197528 /nfs/dbraw/zinc/19/75/28/990197528.db2.gz MCZJROCUIXGTTD-XUZZJYLKSA-N 2 1 408.590 3.904 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)c1ccco1 ZINC000465816776 990199867 /nfs/dbraw/zinc/19/98/67/990199867.db2.gz QOMPIPPTCAWZJW-RBBKRZOGSA-N 2 1 412.578 3.969 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000465820544 990203881 /nfs/dbraw/zinc/20/38/81/990203881.db2.gz XWPIDDUSNUAZJM-PKTZIBPZSA-N 2 1 424.589 3.888 20 0 HHADMP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000472046585 990214561 /nfs/dbraw/zinc/21/45/61/990214561.db2.gz ANSKSUSALNRMDI-QHCPKHFHSA-N 2 1 400.611 3.566 20 0 HHADMP CC(C)[C@@H](CNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[NH+]1CCCC1 ZINC000465894669 991022037 /nfs/dbraw/zinc/02/20/37/991022037.db2.gz NQOFXSUZJZTECK-HSZRJFAPSA-N 2 1 412.578 3.831 20 0 HHADMP CC(C)[C@@H](CNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[NH+]1CCCC1 ZINC000465894669 991022043 /nfs/dbraw/zinc/02/20/43/991022043.db2.gz NQOFXSUZJZTECK-HSZRJFAPSA-N 2 1 412.578 3.831 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)NCC(C)(C)[NH2+][C@@H](C)c3ccccc3)CC2)[nH+]c1 ZINC000465920322 991052938 /nfs/dbraw/zinc/05/29/38/991052938.db2.gz NPEHTLYFJPJYTR-IBGZPJMESA-N 2 1 409.578 3.787 20 0 HHADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C1 ZINC000466019181 991186665 /nfs/dbraw/zinc/18/66/65/991186665.db2.gz URPLGJDYOHXKND-HXUWFJFHSA-N 2 1 412.578 3.785 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C1 ZINC000466019181 991186668 /nfs/dbraw/zinc/18/66/68/991186668.db2.gz URPLGJDYOHXKND-HXUWFJFHSA-N 2 1 412.578 3.785 20 0 HHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C1 ZINC000466019181 991186671 /nfs/dbraw/zinc/18/66/71/991186671.db2.gz URPLGJDYOHXKND-HXUWFJFHSA-N 2 1 412.578 3.785 20 0 HHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000466019181 991186677 /nfs/dbraw/zinc/18/66/77/991186677.db2.gz URPLGJDYOHXKND-HXUWFJFHSA-N 2 1 412.578 3.785 20 0 HHADMP C[NH+](C)Cc1cc(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ccc1F ZINC000466024544 991193799 /nfs/dbraw/zinc/19/37/99/991193799.db2.gz DBGUQKKTMYBEAV-DYESRHJHSA-N 2 1 418.582 3.831 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)o1 ZINC000466070826 991242375 /nfs/dbraw/zinc/24/23/75/991242375.db2.gz AFVHFAJPTNEXAO-GHTZIAJQSA-N 2 1 418.607 3.806 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000466101826 991280959 /nfs/dbraw/zinc/28/09/59/991280959.db2.gz QKOQKGNCIMHUIM-NFBKMPQASA-N 2 1 400.611 3.803 20 0 HHADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000466215524 991426627 /nfs/dbraw/zinc/42/66/27/991426627.db2.gz GJSHKGGAMBPOHR-HOYKHHGWSA-N 2 1 406.574 3.697 20 0 HHADMP Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1NC(=O)CC[NH+](C)C ZINC000466247870 991484301 /nfs/dbraw/zinc/48/43/01/991484301.db2.gz NBFJHAQUAIIVPV-NRFANRHFSA-N 2 1 422.573 3.736 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1F ZINC000466288699 991537117 /nfs/dbraw/zinc/53/71/17/991537117.db2.gz RMMYDVJWINAGKA-DYESRHJHSA-N 2 1 421.520 3.782 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1F ZINC000466288699 991537125 /nfs/dbraw/zinc/53/71/25/991537125.db2.gz RMMYDVJWINAGKA-DYESRHJHSA-N 2 1 421.520 3.782 20 0 HHADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000466514669 991801872 /nfs/dbraw/zinc/80/18/72/991801872.db2.gz MFVNFIKDQCKASI-UNMCSNQZSA-N 2 1 421.589 3.531 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C[N@H+]1Cc1ccccc1 ZINC000466532435 991832254 /nfs/dbraw/zinc/83/22/54/991832254.db2.gz ITWDBXIRVCAVIE-SDUSCBPUSA-N 2 1 420.601 3.813 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C[NH+]1Cc1ccccc1 ZINC000466532435 991832269 /nfs/dbraw/zinc/83/22/69/991832269.db2.gz ITWDBXIRVCAVIE-SDUSCBPUSA-N 2 1 420.601 3.813 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[NH+]1Cc1ccccc1 ZINC000466532435 991832279 /nfs/dbraw/zinc/83/22/79/991832279.db2.gz ITWDBXIRVCAVIE-SDUSCBPUSA-N 2 1 420.601 3.813 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NC1CC(c2ccccc2)C1 ZINC000466704042 992017722 /nfs/dbraw/zinc/01/77/22/992017722.db2.gz QFRKEFKPJKMQMK-UHFFFAOYSA-N 2 1 412.622 3.770 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000466872524 992193464 /nfs/dbraw/zinc/19/34/64/992193464.db2.gz LEXPMDFXKIYXLW-ZZYHAFTGSA-N 2 1 422.617 3.747 20 0 HHADMP CN(C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000467080031 992385860 /nfs/dbraw/zinc/38/58/60/992385860.db2.gz CDBDCEPIZKKORY-DEOSSOPVSA-N 2 1 408.590 3.597 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)NCc2ccc(CC[NH+](C)C)cc2)C[N@H+]1Cc1ccccc1 ZINC000467089123 992394622 /nfs/dbraw/zinc/39/46/22/992394622.db2.gz CDCCVLITFFGNTR-PXDATVDWSA-N 2 1 422.617 3.891 20 0 HHADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000467353572 992672964 /nfs/dbraw/zinc/67/29/64/992672964.db2.gz AXZFBKPRWYVEOG-KRWDZBQOSA-N 2 1 419.491 3.814 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@@H]1c1ccccc1 ZINC000472116374 993167867 /nfs/dbraw/zinc/16/78/67/993167867.db2.gz XIJMQZFUDGIYMM-GUMHCPJTSA-N 2 1 424.511 3.536 20 0 HHADMP CC1CC[NH+](C2CCC(NC(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000472116889 993168933 /nfs/dbraw/zinc/16/89/33/993168933.db2.gz BYNKWJPCXZCIPS-ZKMFCFPVSA-N 2 1 412.622 3.851 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000472167573 993214568 /nfs/dbraw/zinc/21/45/68/993214568.db2.gz ACRQQWWHRYHHSN-NOZRDPDXSA-N 2 1 420.601 3.718 20 0 HHADMP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000472167573 993214574 /nfs/dbraw/zinc/21/45/74/993214574.db2.gz ACRQQWWHRYHHSN-NOZRDPDXSA-N 2 1 420.601 3.718 20 0 HHADMP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000472167573 993214581 /nfs/dbraw/zinc/21/45/81/993214581.db2.gz ACRQQWWHRYHHSN-NOZRDPDXSA-N 2 1 420.601 3.718 20 0 HHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000472269763 993291882 /nfs/dbraw/zinc/29/18/82/993291882.db2.gz XXTBMTNFKKIXKQ-QGZVFWFLSA-N 2 1 412.456 3.688 20 0 HHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000472269763 993291888 /nfs/dbraw/zinc/29/18/88/993291888.db2.gz XXTBMTNFKKIXKQ-QGZVFWFLSA-N 2 1 412.456 3.688 20 0 HHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000472281593 993300463 /nfs/dbraw/zinc/30/04/63/993300463.db2.gz UMLIGCCZUOOCNM-QGZVFWFLSA-N 2 1 412.456 3.688 20 0 HHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000472281593 993300470 /nfs/dbraw/zinc/30/04/70/993300470.db2.gz UMLIGCCZUOOCNM-QGZVFWFLSA-N 2 1 412.456 3.688 20 0 HHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000472336025 993344402 /nfs/dbraw/zinc/34/44/02/993344402.db2.gz MCICTZYMVBSAEY-DHIUTWEWSA-N 2 1 410.562 3.974 20 0 HHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472369900 993366992 /nfs/dbraw/zinc/36/69/92/993366992.db2.gz QKZCBNJEJYUEMB-DEOSSOPVSA-N 2 1 408.590 3.802 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCc1ccc2ncccc2c1 ZINC000472543307 993524678 /nfs/dbraw/zinc/52/46/78/993524678.db2.gz UKUBQYKKEBBLRF-UHFFFAOYSA-N 2 1 423.605 3.573 20 0 HHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3cccc(N4CCOCC4)c3)cc2)CC1 ZINC000480724203 993592541 /nfs/dbraw/zinc/59/25/41/993592541.db2.gz AVVSARSSYVLUJM-QFIPXVFZSA-N 2 1 422.617 3.512 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480740845 993607786 /nfs/dbraw/zinc/60/77/86/993607786.db2.gz QIICOEVYXFXFLT-YUXAGFNASA-N 2 1 419.635 3.965 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480740845 993607789 /nfs/dbraw/zinc/60/77/89/993607789.db2.gz QIICOEVYXFXFLT-YUXAGFNASA-N 2 1 419.635 3.965 20 0 HHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000480763716 993629238 /nfs/dbraw/zinc/62/92/38/993629238.db2.gz HJWBAQWDWPQYLN-IBGZPJMESA-N 2 1 410.400 3.670 20 0 HHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480769014 993633602 /nfs/dbraw/zinc/63/36/02/993633602.db2.gz HSYLNLIRTACIJN-OALUTQOASA-N 2 1 419.635 3.823 20 0 HHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480769014 993633607 /nfs/dbraw/zinc/63/36/07/993633607.db2.gz HSYLNLIRTACIJN-OALUTQOASA-N 2 1 419.635 3.823 20 0 HHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480769013 993633639 /nfs/dbraw/zinc/63/36/39/993633639.db2.gz HSYLNLIRTACIJN-MOPGFXCFSA-N 2 1 419.635 3.823 20 0 HHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480769013 993633644 /nfs/dbraw/zinc/63/36/44/993633644.db2.gz HSYLNLIRTACIJN-MOPGFXCFSA-N 2 1 419.635 3.823 20 0 HHADMP COc1ccc([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1NC(C)=O ZINC000480779469 993646183 /nfs/dbraw/zinc/64/61/83/993646183.db2.gz LDOXMKHIEXZRKA-DVECYGJZSA-N 2 1 424.589 3.683 20 0 HHADMP Cc1ccc(C[C@@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C2CC2)cc1 ZINC000480887773 993748920 /nfs/dbraw/zinc/74/89/20/993748920.db2.gz VBWDNCVODFRYNS-RUZDIDTESA-N 2 1 421.585 3.767 20 0 HHADMP CC1(C)Cc2occc2[C@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000480914628 993770705 /nfs/dbraw/zinc/77/07/05/993770705.db2.gz ZPACQKBIRLPHIC-OAQYLSRUSA-N 2 1 411.546 3.744 20 0 HHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1)c1ccco1 ZINC000481096710 993934354 /nfs/dbraw/zinc/93/43/54/993934354.db2.gz XKSAXJPXGCOJGT-BQFCYCMXSA-N 2 1 404.580 3.516 20 0 HHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1)c1ccco1 ZINC000481096710 993934363 /nfs/dbraw/zinc/93/43/63/993934363.db2.gz XKSAXJPXGCOJGT-BQFCYCMXSA-N 2 1 404.580 3.516 20 0 HHADMP COc1ccccc1[C@H](C)N(C)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481167834 993998769 /nfs/dbraw/zinc/99/87/69/993998769.db2.gz AKVPHDKSGHKZBB-ZRCGQRJVSA-N 2 1 409.574 3.715 20 0 HHADMP COc1ccccc1[C@H](C)N(C)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481167834 993998781 /nfs/dbraw/zinc/99/87/81/993998781.db2.gz AKVPHDKSGHKZBB-ZRCGQRJVSA-N 2 1 409.574 3.715 20 0 HHADMP Cc1ccc(SCCNC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481176840 994007893 /nfs/dbraw/zinc/00/78/93/994007893.db2.gz STLMYHFEORQIOK-NZQKXSOJSA-N 2 1 411.615 3.704 20 0 HHADMP Cc1ccc(SCCNC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481176840 994007909 /nfs/dbraw/zinc/00/79/09/994007909.db2.gz STLMYHFEORQIOK-NZQKXSOJSA-N 2 1 411.615 3.704 20 0 HHADMP Cc1ccc(SCCNC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481176842 994008123 /nfs/dbraw/zinc/00/81/23/994008123.db2.gz STLMYHFEORQIOK-REWPJTCUSA-N 2 1 411.615 3.704 20 0 HHADMP Cc1ccc(SCCNC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481176842 994008130 /nfs/dbraw/zinc/00/81/30/994008130.db2.gz STLMYHFEORQIOK-REWPJTCUSA-N 2 1 411.615 3.704 20 0 HHADMP CC(C)Oc1ccc(CCNC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481186323 994018442 /nfs/dbraw/zinc/01/84/42/994018442.db2.gz XURPMCXJMVLQPN-PXDATVDWSA-N 2 1 423.601 3.633 20 0 HHADMP CC(C)Oc1ccc(CCNC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481186323 994018453 /nfs/dbraw/zinc/01/84/53/994018453.db2.gz XURPMCXJMVLQPN-PXDATVDWSA-N 2 1 423.601 3.633 20 0 HHADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481188135 994020698 /nfs/dbraw/zinc/02/06/98/994020698.db2.gz HKMUWUFPZVYELM-PMAPCBKXSA-N 2 1 415.528 3.512 20 0 HHADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481188135 994020704 /nfs/dbraw/zinc/02/07/04/994020704.db2.gz HKMUWUFPZVYELM-PMAPCBKXSA-N 2 1 415.528 3.512 20 0 HHADMP CCCOc1cccc(CNC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481191254 994024612 /nfs/dbraw/zinc/02/46/12/994024612.db2.gz QHDOZHSLZYOGKA-GBXCKJPGSA-N 2 1 409.574 3.592 20 0 HHADMP CCCOc1cccc(CNC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481191254 994024618 /nfs/dbraw/zinc/02/46/18/994024618.db2.gz QHDOZHSLZYOGKA-GBXCKJPGSA-N 2 1 409.574 3.592 20 0 HHADMP C(=C/C[N@H+]1CC[C@]2(C1)OCc1ccccc12)\C[NH+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473157789 994029322 /nfs/dbraw/zinc/02/93/22/994029322.db2.gz GLAGBFCIXIEDBZ-RBINCUJASA-N 2 1 402.538 3.805 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000481200947 994034255 /nfs/dbraw/zinc/03/42/55/994034255.db2.gz QSRBRXJEAZSEMW-XLIONFOSSA-N 2 1 423.479 3.671 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000481200947 994034262 /nfs/dbraw/zinc/03/42/62/994034262.db2.gz QSRBRXJEAZSEMW-XLIONFOSSA-N 2 1 423.479 3.671 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)c1 ZINC000473819581 994747898 /nfs/dbraw/zinc/74/78/98/994747898.db2.gz SMPUFSXTHJLZCJ-UHFFFAOYSA-N 2 1 409.578 3.602 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)N3CC[N@H+](Cc4ccccc4)C[C@@H]3C)c2)CC1 ZINC000473836865 994770985 /nfs/dbraw/zinc/77/09/85/994770985.db2.gz NUMHDJJISPMPOL-NRFANRHFSA-N 2 1 421.589 3.567 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)N3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)c2)CC1 ZINC000473836865 994770995 /nfs/dbraw/zinc/77/09/95/994770995.db2.gz NUMHDJJISPMPOL-NRFANRHFSA-N 2 1 421.589 3.567 20 0 HHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000481922787 994795319 /nfs/dbraw/zinc/79/53/19/994795319.db2.gz YVXQFZRIXCXDDQ-QGZVFWFLSA-N 2 1 419.491 3.814 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cc2cccc(F)c2o1 ZINC000473870868 994811827 /nfs/dbraw/zinc/81/18/27/994811827.db2.gz FIKXQVCUDQAOTP-SJLPKXTDSA-N 2 1 404.530 3.690 20 0 HHADMP COc1c(Br)cccc1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000482003192 994905142 /nfs/dbraw/zinc/90/51/42/994905142.db2.gz DBCKOIWRPRLYCY-HZPDHXFCSA-N 2 1 411.384 3.779 20 0 HHADMP CN(CC[N@H+](C)C1CC1)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000474004515 994993403 /nfs/dbraw/zinc/99/34/03/994993403.db2.gz HEUDVUDJUWMNCR-UHFFFAOYSA-N 2 1 413.393 3.693 20 0 HHADMP CN(CC[N@@H+](C)C1CC1)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000474004515 994993415 /nfs/dbraw/zinc/99/34/15/994993415.db2.gz HEUDVUDJUWMNCR-UHFFFAOYSA-N 2 1 413.393 3.693 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)N(CC)[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000474004301 994993838 /nfs/dbraw/zinc/99/38/38/994993838.db2.gz DWQSMMCUOXEMAB-NZQKXSOJSA-N 2 1 400.611 3.975 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)[C@H](C)C1 ZINC000482113772 995060917 /nfs/dbraw/zinc/06/09/17/995060917.db2.gz ZDPWPNAUSQCHQU-AUSIDOKSSA-N 2 1 410.562 3.561 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)[C@@H](C)C1 ZINC000482113774 995061173 /nfs/dbraw/zinc/06/11/73/995061173.db2.gz ZDPWPNAUSQCHQU-CVDCTZTESA-N 2 1 410.562 3.561 20 0 HHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000482124129 995072605 /nfs/dbraw/zinc/07/26/05/995072605.db2.gz IHSOZUWFEBVAQW-IRXDYDNUSA-N 2 1 407.605 3.682 20 0 HHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000482124129 995072617 /nfs/dbraw/zinc/07/26/17/995072617.db2.gz IHSOZUWFEBVAQW-IRXDYDNUSA-N 2 1 407.605 3.682 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N[C@@H](C)c2ccc3ccccc3c2)[C@@H](C)C1 ZINC000482142891 995093447 /nfs/dbraw/zinc/09/34/47/995093447.db2.gz NPPZURPXADIRSC-SKPFHBQLSA-N 2 1 411.590 3.744 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N[C@@H](C)c2ccc3ccccc3c2)[C@@H](C)C1 ZINC000482142891 995093456 /nfs/dbraw/zinc/09/34/56/995093456.db2.gz NPPZURPXADIRSC-SKPFHBQLSA-N 2 1 411.590 3.744 20 0 HHADMP CC(=O)N1CC[NH+](CCOc2ccc(CC[NH2+][C@H](C)c3cccc(C)c3C)cc2)CC1 ZINC000482236693 995219392 /nfs/dbraw/zinc/21/93/92/995219392.db2.gz BWEPINYUUHELQK-JOCHJYFZSA-N 2 1 423.601 3.740 20 0 HHADMP CCC[N@H+](Cc1cc(C(=O)OCC)co1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000474267648 995265276 /nfs/dbraw/zinc/26/52/76/995265276.db2.gz FUPVJLZCLSCZSU-UHFFFAOYSA-N 2 1 400.523 3.744 20 0 HHADMP CCC[N@@H+](Cc1cc(C(=O)OCC)co1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000474267648 995265285 /nfs/dbraw/zinc/26/52/85/995265285.db2.gz FUPVJLZCLSCZSU-UHFFFAOYSA-N 2 1 400.523 3.744 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)C1 ZINC000482339975 995318484 /nfs/dbraw/zinc/31/84/84/995318484.db2.gz YSELBMWTMOUDCI-RTBURBONSA-N 2 1 419.591 3.529 20 0 HHADMP C[C@H](c1ccc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000474429369 995393003 /nfs/dbraw/zinc/39/30/03/995393003.db2.gz FWMLGLZRMLDXKM-YYDVJCTNSA-N 2 1 410.562 3.893 20 0 HHADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000482531379 995540193 /nfs/dbraw/zinc/54/01/93/995540193.db2.gz PYMBABHAAZIMIA-PKTZIBPZSA-N 2 1 410.606 3.696 20 0 HHADMP Cc1cccc(COc2ccc([C@@H](C)[NH2+]CCC[N@H+]3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000482545834 995553973 /nfs/dbraw/zinc/55/39/73/995553973.db2.gz ZZSIUXHJRJQHRJ-OFNKIYASSA-N 2 1 409.574 3.812 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCOc4ccc(F)cc43)c2)C1 ZINC000482636848 995631154 /nfs/dbraw/zinc/63/11/54/995631154.db2.gz ACUSLUYAUQRTRU-DENIHFKCSA-N 2 1 411.521 3.527 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCSc4ccc(F)cc43)c2)C1 ZINC000482636037 995631463 /nfs/dbraw/zinc/63/14/63/995631463.db2.gz LIPGILONEZTONQ-RXVVDRJESA-N 2 1 413.562 3.850 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCOc4ccc(F)cc43)c2)C1 ZINC000482636850 995632019 /nfs/dbraw/zinc/63/20/19/995632019.db2.gz ACUSLUYAUQRTRU-SIKLNZKXSA-N 2 1 411.521 3.527 20 0 HHADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cc(F)ccc1F ZINC000482645626 995641125 /nfs/dbraw/zinc/64/11/25/995641125.db2.gz HVBUYWRQTNHSSO-GCJKJVERSA-N 2 1 401.501 3.903 20 0 HHADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cc(F)ccc1F ZINC000482645626 995641136 /nfs/dbraw/zinc/64/11/36/995641136.db2.gz HVBUYWRQTNHSSO-GCJKJVERSA-N 2 1 401.501 3.903 20 0 HHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cc(F)ccc1F ZINC000482645628 995641358 /nfs/dbraw/zinc/64/13/58/995641358.db2.gz HVBUYWRQTNHSSO-XMSQKQJNSA-N 2 1 401.501 3.903 20 0 HHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cc(F)ccc1F ZINC000482645628 995641363 /nfs/dbraw/zinc/64/13/63/995641363.db2.gz HVBUYWRQTNHSSO-XMSQKQJNSA-N 2 1 401.501 3.903 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)[C@H](C)C1 ZINC000482718475 995704987 /nfs/dbraw/zinc/70/49/87/995704987.db2.gz DEJNONSBDYGESA-YADHBBJMSA-N 2 1 409.659 3.527 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@@H](C)[C@@H](c3ccccc3C)[NH+](C)C)CC2)cs1 ZINC000474786923 995710882 /nfs/dbraw/zinc/71/08/82/995710882.db2.gz CVKDJYPFVBOFJS-JTSKRJEESA-N 2 1 414.619 3.780 20 0 HHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000474821632 995727694 /nfs/dbraw/zinc/72/76/94/995727694.db2.gz KWBAGQHBWIWRBA-KJXAQDMKSA-N 2 1 401.570 3.903 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000474821632 995727700 /nfs/dbraw/zinc/72/77/00/995727700.db2.gz KWBAGQHBWIWRBA-KJXAQDMKSA-N 2 1 401.570 3.903 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000474821632 995727708 /nfs/dbraw/zinc/72/77/08/995727708.db2.gz KWBAGQHBWIWRBA-KJXAQDMKSA-N 2 1 401.570 3.903 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000474821632 995727713 /nfs/dbraw/zinc/72/77/13/995727713.db2.gz KWBAGQHBWIWRBA-KJXAQDMKSA-N 2 1 401.570 3.903 20 0 HHADMP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474830324 995736214 /nfs/dbraw/zinc/73/62/14/995736214.db2.gz HQVVCXOWGXCUEA-DEOSSOPVSA-N 2 1 409.549 3.819 20 0 HHADMP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474830324 995736222 /nfs/dbraw/zinc/73/62/22/995736222.db2.gz HQVVCXOWGXCUEA-DEOSSOPVSA-N 2 1 409.549 3.819 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(OC(F)F)cc1 ZINC000482815308 995768374 /nfs/dbraw/zinc/76/83/74/995768374.db2.gz NDFIUNBJVZVHMZ-UZLBHIALSA-N 2 1 417.500 3.836 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc2ccccc2n1 ZINC000482822861 995772512 /nfs/dbraw/zinc/77/25/12/995772512.db2.gz ROSTXYBSWIOPMC-XMSQKQJNSA-N 2 1 402.542 3.783 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000482837318 995782544 /nfs/dbraw/zinc/78/25/44/995782544.db2.gz JFLPRGGTXVSZRN-TZRRMPRUSA-N 2 1 412.622 3.660 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000482837318 995782547 /nfs/dbraw/zinc/78/25/47/995782547.db2.gz JFLPRGGTXVSZRN-TZRRMPRUSA-N 2 1 412.622 3.660 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000482837318 995782552 /nfs/dbraw/zinc/78/25/52/995782552.db2.gz JFLPRGGTXVSZRN-TZRRMPRUSA-N 2 1 412.622 3.660 20 0 HHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1OC ZINC000474947636 995818526 /nfs/dbraw/zinc/81/85/26/995818526.db2.gz YWJZJISTFBZJJM-MSYCTHLASA-N 2 1 412.574 3.942 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(OCc2ccccc2)c1 ZINC000482888641 995820005 /nfs/dbraw/zinc/82/00/05/995820005.db2.gz NCICFCUKCGZANS-FQEVSTJZSA-N 2 1 409.574 3.859 20 0 HHADMP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000482890249 995820780 /nfs/dbraw/zinc/82/07/80/995820780.db2.gz QURAODCOWGFOBH-HNNXBMFYSA-N 2 1 418.582 3.851 20 0 HHADMP CN(C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475010992 995867520 /nfs/dbraw/zinc/86/75/20/995867520.db2.gz ZVBHFUOAEHBXFQ-DEOSSOPVSA-N 2 1 406.574 3.698 20 0 HHADMP Cc1ccc(NCCCNC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)[nH+]c1 ZINC000475125495 995938270 /nfs/dbraw/zinc/93/82/70/995938270.db2.gz SLHJUJYFNTYQEJ-VWLOTQADSA-N 2 1 421.589 3.890 20 0 HHADMP Cc1ccc(NCCCNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)[nH+]c1 ZINC000475125495 995938275 /nfs/dbraw/zinc/93/82/75/995938275.db2.gz SLHJUJYFNTYQEJ-VWLOTQADSA-N 2 1 421.589 3.890 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)NC(C)(C)CC[NH+]3CCCCCC3)CC2)[nH+]1 ZINC000483072423 995954674 /nfs/dbraw/zinc/95/46/74/995954674.db2.gz KOYNDIGVENSCLJ-UHFFFAOYSA-N 2 1 401.599 3.703 20 0 HHADMP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000475299793 996054423 /nfs/dbraw/zinc/05/44/23/996054423.db2.gz WSHHGPRMSYKESG-UHFFFAOYSA-N 2 1 404.986 3.574 20 0 HHADMP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000475299793 996054429 /nfs/dbraw/zinc/05/44/29/996054429.db2.gz WSHHGPRMSYKESG-UHFFFAOYSA-N 2 1 404.986 3.574 20 0 HHADMP CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000483425492 996170519 /nfs/dbraw/zinc/17/05/19/996170519.db2.gz XZBBAMOCNKZCAQ-QGZVFWFLSA-N 2 1 413.528 3.947 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)C[C@@H]1C ZINC000483526930 996233549 /nfs/dbraw/zinc/23/35/49/996233549.db2.gz BGVGGBODMNSYOA-IEIRFRATSA-N 2 1 416.610 3.736 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000475718100 996320994 /nfs/dbraw/zinc/32/09/94/996320994.db2.gz XCTBWRBYQPIXTL-BRWVUGGUSA-N 2 1 422.411 3.791 20 0 HHADMP COc1ccc(COC[C@H](O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000475727865 996327596 /nfs/dbraw/zinc/32/75/96/996327596.db2.gz IIPOAZWBCIIKJS-RSXGOPAZSA-N 2 1 424.585 3.561 20 0 HHADMP COc1ccc(COC[C@H](O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000475727865 996327604 /nfs/dbraw/zinc/32/76/04/996327604.db2.gz IIPOAZWBCIIKJS-RSXGOPAZSA-N 2 1 424.585 3.561 20 0 HHADMP COc1ccc(COC[C@H](O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000475727865 996327606 /nfs/dbraw/zinc/32/76/06/996327606.db2.gz IIPOAZWBCIIKJS-RSXGOPAZSA-N 2 1 424.585 3.561 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C[C@H]1C ZINC000483692273 996331763 /nfs/dbraw/zinc/33/17/63/996331763.db2.gz LFHINYXDWLSOAU-OFNKIYASSA-N 2 1 400.611 3.933 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C[C@@H]1C ZINC000483736247 996357632 /nfs/dbraw/zinc/35/76/32/996357632.db2.gz XWUFURULOHRTGX-REWPJTCUSA-N 2 1 400.611 3.933 20 0 HHADMP C[N@@H+](CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)Cc1ccc(F)cc1 ZINC000483810552 996402831 /nfs/dbraw/zinc/40/28/31/996402831.db2.gz UTLOQPVNIHOARV-CWAQXLGLSA-N 2 1 424.564 3.752 20 0 HHADMP C[NH+](CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccc(F)cc1 ZINC000483810552 996402834 /nfs/dbraw/zinc/40/28/34/996402834.db2.gz UTLOQPVNIHOARV-CWAQXLGLSA-N 2 1 424.564 3.752 20 0 HHADMP C[NH+](CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccc(F)cc1 ZINC000483810552 996402838 /nfs/dbraw/zinc/40/28/38/996402838.db2.gz UTLOQPVNIHOARV-CWAQXLGLSA-N 2 1 424.564 3.752 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccc(Br)cc2)[C@@H](C)C1 ZINC000483834886 996417255 /nfs/dbraw/zinc/41/72/55/996417255.db2.gz KWJNCKUAQHBDOD-QKLQHJQFSA-N 2 1 413.400 3.943 20 0 HHADMP C[C@@H](NC(=O)NCCC[N@@H+](C)C1CCCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000483876473 996442359 /nfs/dbraw/zinc/44/23/59/996442359.db2.gz NCAXXXXIOCUBMW-IFMALSPDSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@@H](NC(=O)NCCC[NH+](C)C1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000483876473 996442362 /nfs/dbraw/zinc/44/23/62/996442362.db2.gz NCAXXXXIOCUBMW-IFMALSPDSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@@H](NC(=O)NCCC[NH+](C)C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000483876473 996442365 /nfs/dbraw/zinc/44/23/65/996442365.db2.gz NCAXXXXIOCUBMW-IFMALSPDSA-N 2 1 400.611 3.851 20 0 HHADMP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000483921765 996470108 /nfs/dbraw/zinc/47/01/08/996470108.db2.gz BYZUHPGPLFPTED-KNQAVFIVSA-N 2 1 402.583 3.712 20 0 HHADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000483921765 996470112 /nfs/dbraw/zinc/47/01/12/996470112.db2.gz BYZUHPGPLFPTED-KNQAVFIVSA-N 2 1 402.583 3.712 20 0 HHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(NC(=O)NC4CC4)cc3)CC2)nc(C)[nH+]1 ZINC000484303488 996691153 /nfs/dbraw/zinc/69/11/53/996691153.db2.gz ZGJRQLXZXONGOL-INIZCTEOSA-N 2 1 408.550 3.697 20 0 HHADMP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)C2)c1 ZINC000484468575 996787981 /nfs/dbraw/zinc/78/79/81/996787981.db2.gz CBURAPDKZNIBHY-FZOAFFARSA-N 2 1 409.574 3.783 20 0 HHADMP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)C2)c1 ZINC000484468575 996787990 /nfs/dbraw/zinc/78/79/90/996787990.db2.gz CBURAPDKZNIBHY-FZOAFFARSA-N 2 1 409.574 3.783 20 0 HHADMP C[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000484494403 996818127 /nfs/dbraw/zinc/81/81/27/996818127.db2.gz DBOWFVLFTVEABP-QPXQOZNCSA-N 2 1 415.603 3.865 20 0 HHADMP CC(C)[N@H+](Cc1ccc(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1)C[C@@H]1CCCCO1 ZINC000484656671 996994061 /nfs/dbraw/zinc/99/40/61/996994061.db2.gz RKGZSXRFOMQKID-GMAHTHKFSA-N 2 1 416.610 3.882 20 0 HHADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000476781619 997338942 /nfs/dbraw/zinc/33/89/42/997338942.db2.gz SFRQSLFMWQDCIK-NRFANRHFSA-N 2 1 420.479 3.810 20 0 HHADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000476781619 997338945 /nfs/dbraw/zinc/33/89/45/997338945.db2.gz SFRQSLFMWQDCIK-NRFANRHFSA-N 2 1 420.479 3.810 20 0 HHADMP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000476800478 997349040 /nfs/dbraw/zinc/34/90/40/997349040.db2.gz BTIBYTIPGTZFFQ-XLIONFOSSA-N 2 1 422.017 3.676 20 0 HHADMP C[C@H]1[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000476871371 997447229 /nfs/dbraw/zinc/44/72/29/997447229.db2.gz DDGXYIOIMSQKNG-RDPSFJRHSA-N 2 1 406.574 3.745 20 0 HHADMP COc1ccc(CN(C)C(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000476970547 997588654 /nfs/dbraw/zinc/58/86/54/997588654.db2.gz IDMWKYCPJJDQQX-FQEVSTJZSA-N 2 1 401.595 3.630 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477029980 997662085 /nfs/dbraw/zinc/66/20/85/997662085.db2.gz UVCJNNBNFQYANB-CZAAIQMYSA-N 2 1 407.961 3.995 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477029980 997662092 /nfs/dbraw/zinc/66/20/92/997662092.db2.gz UVCJNNBNFQYANB-CZAAIQMYSA-N 2 1 407.961 3.995 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477029980 997662100 /nfs/dbraw/zinc/66/21/00/997662100.db2.gz UVCJNNBNFQYANB-CZAAIQMYSA-N 2 1 407.961 3.995 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000485287351 997685977 /nfs/dbraw/zinc/68/59/77/997685977.db2.gz KJAGNMNWNJMGSH-KZTDQWPFSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000485287351 997685980 /nfs/dbraw/zinc/68/59/80/997685980.db2.gz KJAGNMNWNJMGSH-KZTDQWPFSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000485287351 997685984 /nfs/dbraw/zinc/68/59/84/997685984.db2.gz KJAGNMNWNJMGSH-KZTDQWPFSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@H]4[C@H](CCC[NH+]4C)C3)cc2)C1 ZINC000485292010 997693992 /nfs/dbraw/zinc/69/39/92/997693992.db2.gz RQJQZFOYMGOVMN-JDBUVZGPSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cc2)C1 ZINC000485292010 997694001 /nfs/dbraw/zinc/69/40/01/997694001.db2.gz RQJQZFOYMGOVMN-JDBUVZGPSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)cc2)C1 ZINC000485292010 997694006 /nfs/dbraw/zinc/69/40/06/997694006.db2.gz RQJQZFOYMGOVMN-JDBUVZGPSA-N 2 1 412.622 3.790 20 0 HHADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@H](c3cccc(Cl)c3)[NH+]3CCCC3)CC[C@@H]21 ZINC000485309384 997718545 /nfs/dbraw/zinc/71/85/45/997718545.db2.gz QLUILISEMYLTTC-HLAWJBBLSA-N 2 1 404.986 3.603 20 0 HHADMP CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC1 ZINC000477162628 997825848 /nfs/dbraw/zinc/82/58/48/997825848.db2.gz OENSZYKEFMDVDC-OAQYLSRUSA-N 2 1 407.002 3.867 20 0 HHADMP CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1 ZINC000477162628 997825859 /nfs/dbraw/zinc/82/58/59/997825859.db2.gz OENSZYKEFMDVDC-OAQYLSRUSA-N 2 1 407.002 3.867 20 0 HHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000485397056 997826007 /nfs/dbraw/zinc/82/60/07/997826007.db2.gz QOGMAKAGWABNOU-ACRUOGEOSA-N 2 1 400.611 3.648 20 0 HHADMP C[C@@H](NC(=O)NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000485399172 997829528 /nfs/dbraw/zinc/82/95/28/997829528.db2.gz FZBFZFFPJBXAFO-ZJSXRUAMSA-N 2 1 420.601 3.645 20 0 HHADMP C[C@@H](NC(=O)NCCC[NH+]1CCc2ccccc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485399172 997829538 /nfs/dbraw/zinc/82/95/38/997829538.db2.gz FZBFZFFPJBXAFO-ZJSXRUAMSA-N 2 1 420.601 3.645 20 0 HHADMP C[C@@H](NC(=O)NCCC[NH+]1CCc2ccccc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485399172 997829549 /nfs/dbraw/zinc/82/95/49/997829549.db2.gz FZBFZFFPJBXAFO-ZJSXRUAMSA-N 2 1 420.601 3.645 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000485616731 998064122 /nfs/dbraw/zinc/06/41/22/998064122.db2.gz SCOYMBMQABTCGM-SGNDLWITSA-N 2 1 412.622 3.803 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000485616731 998064129 /nfs/dbraw/zinc/06/41/29/998064129.db2.gz SCOYMBMQABTCGM-SGNDLWITSA-N 2 1 412.622 3.803 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000485616731 998064140 /nfs/dbraw/zinc/06/41/40/998064140.db2.gz SCOYMBMQABTCGM-SGNDLWITSA-N 2 1 412.622 3.803 20 0 HHADMP C[N@H+]1CCCC[C@H]1CCC(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000486142744 998591571 /nfs/dbraw/zinc/59/15/71/998591571.db2.gz CUSNNNUHYKEPGJ-QHCPKHFHSA-N 2 1 421.589 3.607 20 0 HHADMP C[C@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486332031 998715847 /nfs/dbraw/zinc/71/58/47/998715847.db2.gz KOYVDNCUSQWYGT-GMAHTHKFSA-N 2 1 400.611 3.708 20 0 HHADMP COc1cccc([C@H]2[C@H](NC(=O)NC3CC[NH+](C(C)(C)C)CC3)CC[N@H+]2C2CC2)c1 ZINC000486338760 998718887 /nfs/dbraw/zinc/71/88/87/998718887.db2.gz ANHRPVDGPRPBCN-YADHBBJMSA-N 2 1 414.594 3.535 20 0 HHADMP C[C@H](NC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486345987 998722240 /nfs/dbraw/zinc/72/22/40/998722240.db2.gz NVVYLASQGGVKBB-KGSLCBSSSA-N 2 1 400.611 3.564 20 0 HHADMP C[C@H](NC(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486345987 998722242 /nfs/dbraw/zinc/72/22/42/998722242.db2.gz NVVYLASQGGVKBB-KGSLCBSSSA-N 2 1 400.611 3.564 20 0 HHADMP C[C@H](NC(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486345987 998722245 /nfs/dbraw/zinc/72/22/45/998722245.db2.gz NVVYLASQGGVKBB-KGSLCBSSSA-N 2 1 400.611 3.564 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC000478045176 998732044 /nfs/dbraw/zinc/73/20/44/998732044.db2.gz WHPDCDQCHPDPSC-OEMFJLHTSA-N 2 1 410.606 3.555 20 0 HHADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CC1 ZINC000478045176 998732048 /nfs/dbraw/zinc/73/20/48/998732048.db2.gz WHPDCDQCHPDPSC-OEMFJLHTSA-N 2 1 410.606 3.555 20 0 HHADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CC1 ZINC000478045176 998732061 /nfs/dbraw/zinc/73/20/61/998732061.db2.gz WHPDCDQCHPDPSC-OEMFJLHTSA-N 2 1 410.606 3.555 20 0 HHADMP C[NH+]1CCC(CC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000486400026 998748628 /nfs/dbraw/zinc/74/86/28/998748628.db2.gz CYYNJHYJDGFUSF-WIYYLYMNSA-N 2 1 411.512 3.936 20 0 HHADMP O=C([C@H]1CCCc2[nH+]ccn21)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000486546408 998818320 /nfs/dbraw/zinc/81/83/20/998818320.db2.gz OHADSFLQRCNNMU-RBUKOAKNSA-N 2 1 420.479 3.674 20 0 HHADMP O=C([C@H]1CCCc2[nH+]ccn21)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000486546408 998818325 /nfs/dbraw/zinc/81/83/25/998818325.db2.gz OHADSFLQRCNNMU-RBUKOAKNSA-N 2 1 420.479 3.674 20 0 HHADMP CC(C)([C@@H](NC(=O)[C@H]1CCCc2[nH+]ccn21)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000487040716 999045695 /nfs/dbraw/zinc/04/56/95/999045695.db2.gz MXBBQYYERDNJIN-QUCCMNQESA-N 2 1 402.489 3.771 20 0 HHADMP c1c[nH]c([C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)c2cccnc2)n1 ZINC000479051513 999268037 /nfs/dbraw/zinc/26/80/37/999268037.db2.gz AFQMIPRJWZCVHH-HSZRJFAPSA-N 2 1 405.546 3.555 20 0 HHADMP C[C@H]1CN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC[N@H+](C2CCC2)C1 ZINC000487813544 999299398 /nfs/dbraw/zinc/29/93/98/999299398.db2.gz AKLPGEYHIDGSAU-GOSISDBHSA-N 2 1 419.013 3.820 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)c1cccc(OC)c1 ZINC000488127783 999385063 /nfs/dbraw/zinc/38/50/63/999385063.db2.gz KTTUZGZRALDDOT-WMZHIEFXSA-N 2 1 416.610 3.594 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000479356960 999401024 /nfs/dbraw/zinc/40/10/24/999401024.db2.gz YFRAGQBVWRWOFJ-HPJCCJEISA-N 2 1 412.622 3.931 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)NCc3ccccc3C[NH+]3CCC(C)CC3)CC2)c1 ZINC000479361385 999403774 /nfs/dbraw/zinc/40/37/74/999403774.db2.gz QFAOKUYCQZGFQT-UHFFFAOYSA-N 2 1 421.589 3.654 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479452873 999424249 /nfs/dbraw/zinc/42/42/49/999424249.db2.gz IKOHPKNNYIWQFB-SVFBPWRDSA-N 2 1 415.603 3.512 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCn1cc(Br)cn1 ZINC000479463628 999428636 /nfs/dbraw/zinc/42/86/36/999428636.db2.gz JPLBEFKDVFFOMN-XLIONFOSSA-N 2 1 405.384 3.926 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCn1cc(Br)cn1 ZINC000479463628 999428638 /nfs/dbraw/zinc/42/86/38/999428638.db2.gz JPLBEFKDVFFOMN-XLIONFOSSA-N 2 1 405.384 3.926 20 0 HHADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1OCC(=O)N(C)C ZINC000479467637 999429993 /nfs/dbraw/zinc/42/99/93/999429993.db2.gz WGSLIKXTTAGDKC-FYYLOGMGSA-N 2 1 409.574 3.716 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccco1 ZINC000488459711 999493517 /nfs/dbraw/zinc/49/35/17/999493517.db2.gz LSQMJNCSWBNXGG-WIOPSUGQSA-N 2 1 424.589 3.970 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000488478567 999501580 /nfs/dbraw/zinc/50/15/80/999501580.db2.gz PNTLBZWSVYIENC-GBXCKJPGSA-N 2 1 423.626 3.876 20 0 HHADMP C[C@@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488544535 999523094 /nfs/dbraw/zinc/52/30/94/999523094.db2.gz GYMXRTKQPARUTO-OFNKIYASSA-N 2 1 421.589 3.508 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488564334 999529334 /nfs/dbraw/zinc/52/93/34/999529334.db2.gz WSWSAXMBFHUAFX-RRJCBXKSSA-N 2 1 420.601 3.859 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488564334 999529337 /nfs/dbraw/zinc/52/93/37/999529337.db2.gz WSWSAXMBFHUAFX-RRJCBXKSSA-N 2 1 420.601 3.859 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488564334 999529339 /nfs/dbraw/zinc/52/93/39/999529339.db2.gz WSWSAXMBFHUAFX-RRJCBXKSSA-N 2 1 420.601 3.859 20 0 HHADMP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000488615964 999547030 /nfs/dbraw/zinc/54/70/30/999547030.db2.gz UWXLIELEJAWHTD-HBGVWJBISA-N 2 1 408.537 3.520 20 0 HHADMP CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000488615964 999547033 /nfs/dbraw/zinc/54/70/33/999547033.db2.gz UWXLIELEJAWHTD-HBGVWJBISA-N 2 1 408.537 3.520 20 0 HHADMP CC[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000488615964 999547036 /nfs/dbraw/zinc/54/70/36/999547036.db2.gz UWXLIELEJAWHTD-HBGVWJBISA-N 2 1 408.537 3.520 20 0 HHADMP CC[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000488615964 999547039 /nfs/dbraw/zinc/54/70/39/999547039.db2.gz UWXLIELEJAWHTD-HBGVWJBISA-N 2 1 408.537 3.520 20 0 HHADMP CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@]3(CC[N@@H+](C)C3)C2)n1 ZINC000488710017 999583029 /nfs/dbraw/zinc/58/30/29/999583029.db2.gz DJIUUFRJHPTDKU-QHCPKHFHSA-N 2 1 407.587 3.952 20 0 HHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@]3(CC[N@H+](C)C3)C2)n1 ZINC000488710017 999583032 /nfs/dbraw/zinc/58/30/32/999583032.db2.gz DJIUUFRJHPTDKU-QHCPKHFHSA-N 2 1 407.587 3.952 20 0 HHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@]3(CC[N@@H+](C)C3)C2)n1 ZINC000488710017 999583035 /nfs/dbraw/zinc/58/30/35/999583035.db2.gz DJIUUFRJHPTDKU-QHCPKHFHSA-N 2 1 407.587 3.952 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1)C(C)C ZINC000479978498 999671553 /nfs/dbraw/zinc/67/15/53/999671553.db2.gz GUWYLZLJPXXDDL-UHFFFAOYSA-N 2 1 423.601 3.804 20 0 HHADMP C[C@@]1(CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000489080105 999692816 /nfs/dbraw/zinc/69/28/16/999692816.db2.gz SSVJJAWOOPCUOB-VWLOTQADSA-N 2 1 421.589 3.652 20 0 HHADMP Cc1ccc2nc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CCN(C)CC3)ccc2c1 ZINC000489127501 999707121 /nfs/dbraw/zinc/70/71/21/999707121.db2.gz KWOSIOYHNADJGN-BJKOFHAPSA-N 2 1 408.590 3.952 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)[NH+]2CCCC2)o1 ZINC000489140514 999710420 /nfs/dbraw/zinc/71/04/20/999710420.db2.gz PODMZCDOARQAQW-PTUXOGIPSA-N 2 1 424.589 3.935 20 0 HHADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCOc3ccc(I)cc32)CC1 ZINC000480146244 999730049 /nfs/dbraw/zinc/73/00/49/999730049.db2.gz ODEFZAAJKGWOPU-QGZVFWFLSA-N 2 1 414.331 3.969 20 0 HHADMP C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000489322800 999745420 /nfs/dbraw/zinc/74/54/20/999745420.db2.gz KNAJZFAVCSOQDF-DEOSSOPVSA-N 2 1 420.601 3.957 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000489441933 999768087 /nfs/dbraw/zinc/76/80/87/999768087.db2.gz UHHNSNJAHWYPCW-WIOPSUGQSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000489441933 999768088 /nfs/dbraw/zinc/76/80/88/999768088.db2.gz UHHNSNJAHWYPCW-WIOPSUGQSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000489441933 999768089 /nfs/dbraw/zinc/76/80/89/999768089.db2.gz UHHNSNJAHWYPCW-WIOPSUGQSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000489445077 999769076 /nfs/dbraw/zinc/76/90/76/999769076.db2.gz LFSJCEPQUHZTHX-GBXCKJPGSA-N 2 1 412.622 3.993 20 0 HHADMP CC(C)OC(=O)Cc1nc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cs1 ZINC000489632240 999806551 /nfs/dbraw/zinc/80/65/51/999806551.db2.gz HDRGOFRHRIPCBF-UHFFFAOYSA-N 2 1 415.603 3.981 20 0 HHADMP CC(C)OC(=O)Cc1nc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cs1 ZINC000489632240 999806553 /nfs/dbraw/zinc/80/65/53/999806553.db2.gz HDRGOFRHRIPCBF-UHFFFAOYSA-N 2 1 415.603 3.981 20 0 HHADMP Cc1ccccc1C[C@@H](C)NC(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489648078 999809572 /nfs/dbraw/zinc/80/95/72/999809572.db2.gz LEFYMHHBSOBXBW-JOCHJYFZSA-N 2 1 407.602 3.886 20 0 HHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000480529714 999819461 /nfs/dbraw/zinc/81/94/61/999819461.db2.gz TVJDBJDOJQPTBI-UHFFFAOYSA-N 2 1 409.372 3.648 20 0 HHADMP O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000489705650 999821208 /nfs/dbraw/zinc/82/12/08/999821208.db2.gz ASMSJACZXWNPHD-QHCPKHFHSA-N 2 1 420.601 3.646 20 0 HHADMP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C[C@@H](C)C1 ZINC000489730562 999826631 /nfs/dbraw/zinc/82/66/31/999826631.db2.gz XRDJWZMUHRBGPF-BSZKWMGISA-N 2 1 412.622 3.515 20 0 HHADMP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H](C)C1 ZINC000489730562 999826636 /nfs/dbraw/zinc/82/66/36/999826636.db2.gz XRDJWZMUHRBGPF-BSZKWMGISA-N 2 1 412.622 3.515 20 0 HHADMP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H](C)C1 ZINC000489730562 999826637 /nfs/dbraw/zinc/82/66/37/999826637.db2.gz XRDJWZMUHRBGPF-BSZKWMGISA-N 2 1 412.622 3.515 20 0 HHADMP C[C@H]1C[C@@H](CCNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000489748314 999830124 /nfs/dbraw/zinc/83/01/24/999830124.db2.gz SVCRWWTZCMULTF-QNWVGRARSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@H]1C[C@@H](CCNC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000489748314 999830125 /nfs/dbraw/zinc/83/01/25/999830125.db2.gz SVCRWWTZCMULTF-QNWVGRARSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@H]1C[C@@H](CCNC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000489748314 999830129 /nfs/dbraw/zinc/83/01/29/999830129.db2.gz SVCRWWTZCMULTF-QNWVGRARSA-N 2 1 412.622 3.803 20 0 HHADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000480602973 999838228 /nfs/dbraw/zinc/83/82/28/999838228.db2.gz QVTVGOFFACSMMH-OALUTQOASA-N 2 1 415.603 3.820 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000480603091 999838485 /nfs/dbraw/zinc/83/84/85/999838485.db2.gz BONYMJMIMVSADF-YADARESESA-N 2 1 409.549 3.931 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000480603091 999838487 /nfs/dbraw/zinc/83/84/87/999838487.db2.gz BONYMJMIMVSADF-YADARESESA-N 2 1 409.549 3.931 20 0 HHADMP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)cn2)C[C@H](C)O1 ZINC000480610462 999840368 /nfs/dbraw/zinc/84/03/68/999840368.db2.gz JBXGLJXHPLELGM-IUBSTNSRSA-N 2 1 408.590 3.695 20 0 HHADMP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000480612508 999840964 /nfs/dbraw/zinc/84/09/64/999840964.db2.gz PCVCLOQGRHLGNT-RBUKOAKNSA-N 2 1 415.603 3.677 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000489822705 999844395 /nfs/dbraw/zinc/84/43/95/999844395.db2.gz ALPXHNMMCNAVAI-GIWBLDEGSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000489822705 999844398 /nfs/dbraw/zinc/84/43/98/999844398.db2.gz ALPXHNMMCNAVAI-GIWBLDEGSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000489822705 999844400 /nfs/dbraw/zinc/84/44/00/999844400.db2.gz ALPXHNMMCNAVAI-GIWBLDEGSA-N 2 1 400.611 3.708 20 0 HHADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000480693259 999860945 /nfs/dbraw/zinc/86/09/45/999860945.db2.gz LVUBWGURNGAAHS-HSZRJFAPSA-N 2 1 409.574 3.836 20 0 HHADMP O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480712630 999865699 /nfs/dbraw/zinc/86/56/99/999865699.db2.gz UEMPRNMYSBOYDG-GOSISDBHSA-N 2 1 405.533 3.700 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000480712630 999865702 /nfs/dbraw/zinc/86/57/02/999865702.db2.gz UEMPRNMYSBOYDG-GOSISDBHSA-N 2 1 405.533 3.700 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480712630 999865707 /nfs/dbraw/zinc/86/57/07/999865707.db2.gz UEMPRNMYSBOYDG-GOSISDBHSA-N 2 1 405.533 3.700 20 0 HHADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]3CCOCC3)c1)[C@H](C)C2 ZINC000490167612 999903359 /nfs/dbraw/zinc/90/33/59/999903359.db2.gz LIRXSGAKYOHSQE-KBMIEXCESA-N 2 1 407.558 3.679 20 0 HHADMP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490932096 1000025229 /nfs/dbraw/zinc/02/52/29/1000025229.db2.gz HOHCUPUJOZGPRT-QHCPKHFHSA-N 2 1 424.614 3.674 20 0 HHADMP C[C@@H](CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)[N@@H+]1CCc2ccccc2C1 ZINC000490959955 1000027738 /nfs/dbraw/zinc/02/77/38/1000027738.db2.gz HNGNLSUNKDQPBK-IBGZPJMESA-N 2 1 424.614 3.804 20 0 HHADMP C[C@@H](CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)[N@H+]1CCc2ccccc2C1 ZINC000490959955 1000027739 /nfs/dbraw/zinc/02/77/39/1000027739.db2.gz HNGNLSUNKDQPBK-IBGZPJMESA-N 2 1 424.614 3.804 20 0 HHADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C[C@@H](C)C1 ZINC000490987272 1000030701 /nfs/dbraw/zinc/03/07/01/1000030701.db2.gz JECUWBIRVDRUDJ-PABCKOPISA-N 2 1 412.622 3.659 20 0 HHADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C[C@@H](C)C1 ZINC000490987272 1000030703 /nfs/dbraw/zinc/03/07/03/1000030703.db2.gz JECUWBIRVDRUDJ-PABCKOPISA-N 2 1 412.622 3.659 20 0 HHADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C[C@@H](C)C1 ZINC000490987272 1000030706 /nfs/dbraw/zinc/03/07/06/1000030706.db2.gz JECUWBIRVDRUDJ-PABCKOPISA-N 2 1 412.622 3.659 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490991945 1000031279 /nfs/dbraw/zinc/03/12/79/1000031279.db2.gz YZYYXNADPVXONB-CJFMBICVSA-N 2 1 411.565 3.863 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490991945 1000031280 /nfs/dbraw/zinc/03/12/80/1000031280.db2.gz YZYYXNADPVXONB-CJFMBICVSA-N 2 1 411.565 3.863 20 0 HHADMP C[C@H]1C[N@@H+](CCCCOc2ccccc2C(F)(F)F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000491000197 1000032319 /nfs/dbraw/zinc/03/23/19/1000032319.db2.gz ZNPCSTRDFBTRSB-AZUAARDMSA-N 2 1 413.528 3.822 20 0 HHADMP CCCC[N@H+](C)CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000491050898 1000039468 /nfs/dbraw/zinc/03/94/68/1000039468.db2.gz ICDRSZNAXAGRRO-UHFFFAOYSA-N 2 1 415.409 3.989 20 0 HHADMP CCCC[N@@H+](C)CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000491050898 1000039470 /nfs/dbraw/zinc/03/94/70/1000039470.db2.gz ICDRSZNAXAGRRO-UHFFFAOYSA-N 2 1 415.409 3.989 20 0 HHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1 ZINC000491322667 1000065178 /nfs/dbraw/zinc/06/51/78/1000065178.db2.gz MBUQRKSMZJUWPH-IBGZPJMESA-N 2 1 424.593 3.846 20 0 HHADMP Cc1ccc(NC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000492043716 1000106474 /nfs/dbraw/zinc/10/64/74/1000106474.db2.gz ODQKYHVPXFCZEC-IFMALSPDSA-N 2 1 424.589 3.968 20 0 HHADMP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1cccc2[nH]ccc21 ZINC000493999876 1000260605 /nfs/dbraw/zinc/26/06/05/1000260605.db2.gz MTXVFJVVVGCWHD-UHFFFAOYSA-N 2 1 408.571 3.787 20 0 HHADMP CCc1ccc([C@@H](CNC(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)[NH+](C)C)cc1 ZINC000504983743 1000487965 /nfs/dbraw/zinc/48/79/65/1000487965.db2.gz UPOSTTUUJZZYJB-LAUBAEHRSA-N 2 1 414.619 3.659 20 0 HHADMP CCc1ccc([C@@H](CNC(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)[NH+](C)C)cc1 ZINC000504983743 1000487969 /nfs/dbraw/zinc/48/79/69/1000487969.db2.gz UPOSTTUUJZZYJB-LAUBAEHRSA-N 2 1 414.619 3.659 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000504988738 1000491248 /nfs/dbraw/zinc/49/12/48/1000491248.db2.gz OQEJYYQWACTUJV-NQIIRXRSSA-N 2 1 414.619 3.877 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000504988738 1000491251 /nfs/dbraw/zinc/49/12/51/1000491251.db2.gz OQEJYYQWACTUJV-NQIIRXRSSA-N 2 1 414.619 3.877 20 0 HHADMP Cc1csc([C@H]([NH2+][C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C2CC2)n1 ZINC000495449517 1001016063 /nfs/dbraw/zinc/01/60/63/1001016063.db2.gz CZPUNVLCNQHVNN-DYESRHJHSA-N 2 1 412.603 3.662 20 0 HHADMP C[NH+](C)[C@@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000505808252 1001037295 /nfs/dbraw/zinc/03/72/95/1001037295.db2.gz VYFULIRZQQEKHG-HSZRJFAPSA-N 2 1 408.546 3.743 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000505822709 1001045180 /nfs/dbraw/zinc/04/51/80/1001045180.db2.gz BVPXTIMFUREAGJ-CQSZACIVSA-N 2 1 411.377 3.963 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505857478 1001064769 /nfs/dbraw/zinc/06/47/69/1001064769.db2.gz RPKLXANYESHXOI-JTHBVZDNSA-N 2 1 421.585 3.557 20 0 HHADMP C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000506466905 1001425850 /nfs/dbraw/zinc/42/58/50/1001425850.db2.gz OMWYFIXUWMCVAR-TXTKFYIRSA-N 2 1 406.574 3.702 20 0 HHADMP CN(CC[NH+]1CCCC1)C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000497594578 1001451247 /nfs/dbraw/zinc/45/12/47/1001451247.db2.gz AXNWHRMWVFFXHC-NRFANRHFSA-N 2 1 412.603 3.585 20 0 HHADMP CN(CC[NH+]1CCCC1)C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000497594578 1001451248 /nfs/dbraw/zinc/45/12/48/1001451248.db2.gz AXNWHRMWVFFXHC-NRFANRHFSA-N 2 1 412.603 3.585 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000497614451 1001459424 /nfs/dbraw/zinc/45/94/24/1001459424.db2.gz VZOGTBVZOALAJJ-PXDATVDWSA-N 2 1 420.601 3.780 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000497614451 1001459426 /nfs/dbraw/zinc/45/94/26/1001459426.db2.gz VZOGTBVZOALAJJ-PXDATVDWSA-N 2 1 420.601 3.780 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)[NH+]1CCc2ccccc2C1 ZINC000506922044 1001595008 /nfs/dbraw/zinc/59/50/08/1001595008.db2.gz MPHMXBZYNIRUCI-BHDDXSALSA-N 2 1 412.622 3.729 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000506922044 1001595012 /nfs/dbraw/zinc/59/50/12/1001595012.db2.gz MPHMXBZYNIRUCI-BHDDXSALSA-N 2 1 412.622 3.729 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)[N@H+]1CCc2ccccc2C1 ZINC000506922044 1001595016 /nfs/dbraw/zinc/59/50/16/1001595016.db2.gz MPHMXBZYNIRUCI-BHDDXSALSA-N 2 1 412.622 3.729 20 0 HHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000498031327 1001613612 /nfs/dbraw/zinc/61/36/12/1001613612.db2.gz VFXJYNMFKMHWMY-GHTZIAJQSA-N 2 1 418.607 3.888 20 0 HHADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000498031327 1001613615 /nfs/dbraw/zinc/61/36/15/1001613615.db2.gz VFXJYNMFKMHWMY-GHTZIAJQSA-N 2 1 418.607 3.888 20 0 HHADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000498031327 1001613617 /nfs/dbraw/zinc/61/36/17/1001613617.db2.gz VFXJYNMFKMHWMY-GHTZIAJQSA-N 2 1 418.607 3.888 20 0 HHADMP CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c2cccs2)CC1 ZINC000498129002 1001653743 /nfs/dbraw/zinc/65/37/43/1001653743.db2.gz XWSNDZCNSOGXDG-XUVXKRRUSA-N 2 1 404.624 3.647 20 0 HHADMP CCC[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)[C@H](C)c1cc2ccccc2o1 ZINC000507012370 1001763552 /nfs/dbraw/zinc/76/35/52/1001763552.db2.gz JNJYUVICXFLJCZ-CTNGQTDRSA-N 2 1 415.578 3.679 20 0 HHADMP CCC[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)[C@H](C)c1cc2ccccc2o1 ZINC000507012370 1001763556 /nfs/dbraw/zinc/76/35/56/1001763556.db2.gz JNJYUVICXFLJCZ-CTNGQTDRSA-N 2 1 415.578 3.679 20 0 HHADMP CCC[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)[C@H](C)c1cc2ccccc2o1 ZINC000507012370 1001763560 /nfs/dbraw/zinc/76/35/60/1001763560.db2.gz JNJYUVICXFLJCZ-CTNGQTDRSA-N 2 1 415.578 3.679 20 0 HHADMP Cc1ccccc1[C@@H]1CC[N@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000507204342 1001893277 /nfs/dbraw/zinc/89/32/77/1001893277.db2.gz KOXRIQXRZFPBCN-FYYLOGMGSA-N 2 1 405.586 3.954 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCCC1 ZINC000498618104 1002019098 /nfs/dbraw/zinc/01/90/98/1002019098.db2.gz MBWNPKBSVCRBNA-GOTSBHOMSA-N 2 1 407.558 3.613 20 0 HHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000498694778 1002081538 /nfs/dbraw/zinc/08/15/38/1002081538.db2.gz MUJJAMOIVZRVSW-WIOPSUGQSA-N 2 1 422.617 3.979 20 0 HHADMP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498714417 1002096919 /nfs/dbraw/zinc/09/69/19/1002096919.db2.gz LGMVSNSZTXYGLX-FPOVZHCZSA-N 2 1 414.619 3.732 20 0 HHADMP O=C(NC1CCCCC1)N1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000507513871 1002125083 /nfs/dbraw/zinc/12/50/83/1002125083.db2.gz RTOBICLHCSPRRE-GVXSCFBNSA-N 2 1 424.633 3.993 20 0 HHADMP CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000507671330 1002266859 /nfs/dbraw/zinc/26/68/59/1002266859.db2.gz ZBRVFYNQFVJMKR-UHFFFAOYSA-N 2 1 424.589 3.686 20 0 HHADMP CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000507671330 1002266868 /nfs/dbraw/zinc/26/68/68/1002266868.db2.gz ZBRVFYNQFVJMKR-UHFFFAOYSA-N 2 1 424.589 3.686 20 0 HHADMP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000498901018 1002292513 /nfs/dbraw/zinc/29/25/13/1002292513.db2.gz LFBZTXRTUWDKPR-FYYLOGMGSA-N 2 1 400.611 3.947 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000499001075 1002379950 /nfs/dbraw/zinc/37/99/50/1002379950.db2.gz CERCVZRFZTUYEO-UPVQGACJSA-N 2 1 423.605 3.537 20 0 HHADMP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2coc(-c3cccs3)n2)CC1 ZINC000507921493 1002455205 /nfs/dbraw/zinc/45/52/05/1002455205.db2.gz IXJQKSWYRWWETI-UHFFFAOYSA-N 2 1 416.591 3.607 20 0 HHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C3CCC(C(=O)OC(C)(C)C)CC3)cc2)CC1 ZINC000507954583 1002488230 /nfs/dbraw/zinc/48/82/30/1002488230.db2.gz WNIVRYGOEZHRDT-UHFFFAOYSA-N 2 1 415.622 3.814 20 0 HHADMP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000499102910 1002494355 /nfs/dbraw/zinc/49/43/55/1002494355.db2.gz RWWPEEVHFFMJDR-GGAORHGYSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@H]1CN(c2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cn2)CCO1 ZINC000499164061 1002550255 /nfs/dbraw/zinc/55/02/55/1002550255.db2.gz YXYQLPRCDOGRNK-ZNEWLNCYSA-N 2 1 406.574 3.592 20 0 HHADMP C[C@H]1CN(c2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cn2)CCO1 ZINC000499164061 1002550264 /nfs/dbraw/zinc/55/02/64/1002550264.db2.gz YXYQLPRCDOGRNK-ZNEWLNCYSA-N 2 1 406.574 3.592 20 0 HHADMP Cc1ccc(COc2ccc(C[NH2+]CCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)cc2)cc1 ZINC000508078478 1002600237 /nfs/dbraw/zinc/60/02/37/1002600237.db2.gz GRHKWQPPIDXEKT-XMMPIXPASA-N 2 1 409.574 3.606 20 0 HHADMP Cc1ccc(COc2ccc(C[NH2+]CCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)cc2)cc1 ZINC000508078478 1002600243 /nfs/dbraw/zinc/60/02/43/1002600243.db2.gz GRHKWQPPIDXEKT-XMMPIXPASA-N 2 1 409.574 3.606 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000508091258 1002614238 /nfs/dbraw/zinc/61/42/38/1002614238.db2.gz WHHRRKOTRUNNNH-GOSISDBHSA-N 2 1 413.587 3.796 20 0 HHADMP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000499252945 1002652173 /nfs/dbraw/zinc/65/21/73/1002652173.db2.gz HKUVZUSSFYXYFV-OOSCYNTBSA-N 3 1 419.613 3.929 20 0 HHADMP OC1CC[NH+](Cc2ccccc2CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000499252945 1002652178 /nfs/dbraw/zinc/65/21/78/1002652178.db2.gz HKUVZUSSFYXYFV-OOSCYNTBSA-N 2 1 419.613 3.929 20 0 HHADMP OC1CC[NH+](Cc2ccccc2CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000499252945 1002652181 /nfs/dbraw/zinc/65/21/81/1002652181.db2.gz HKUVZUSSFYXYFV-OOSCYNTBSA-N 2 1 419.613 3.929 20 0 HHADMP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000499252946 1002652298 /nfs/dbraw/zinc/65/22/98/1002652298.db2.gz HKUVZUSSFYXYFV-PBROBROCSA-N 3 1 419.613 3.929 20 0 HHADMP OC1CC[NH+](Cc2ccccc2CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000499252946 1002652302 /nfs/dbraw/zinc/65/23/02/1002652302.db2.gz HKUVZUSSFYXYFV-PBROBROCSA-N 2 1 419.613 3.929 20 0 HHADMP OC1CC[NH+](Cc2ccccc2CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000499252946 1002652309 /nfs/dbraw/zinc/65/23/09/1002652309.db2.gz HKUVZUSSFYXYFV-PBROBROCSA-N 2 1 419.613 3.929 20 0 HHADMP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000508330140 1002833878 /nfs/dbraw/zinc/83/38/78/1002833878.db2.gz FEHQMBWAFUXIPC-UHFFFAOYSA-N 2 1 417.504 3.981 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NCC2(C)CC[NH+](C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000508383747 1002876763 /nfs/dbraw/zinc/87/67/63/1002876763.db2.gz RWJGKQQPWZNXST-UXHICEINSA-N 2 1 408.537 3.520 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NCC2(C)CC[NH+](C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000508383747 1002876779 /nfs/dbraw/zinc/87/67/79/1002876779.db2.gz RWJGKQQPWZNXST-UXHICEINSA-N 2 1 408.537 3.520 20 0 HHADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000508560410 1003030040 /nfs/dbraw/zinc/03/00/40/1003030040.db2.gz JWCVNKVGCYLAOY-QFIPXVFZSA-N 2 1 419.560 3.915 20 0 HHADMP C[C@@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508699968 1003138200 /nfs/dbraw/zinc/13/82/00/1003138200.db2.gz PKRGUNZVTGYIRH-IRLDBZIGSA-N 2 1 422.569 3.964 20 0 HHADMP C[C@H]([NH2+]C1CCN(C(=O)NC2CCCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508712686 1003150621 /nfs/dbraw/zinc/15/06/21/1003150621.db2.gz ROMYTALSLJVDQV-UNMCSNQZSA-N 2 1 412.622 3.993 20 0 HHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[NH+](C)C ZINC000508868863 1003289578 /nfs/dbraw/zinc/28/95/78/1003289578.db2.gz WHLUKCHCCLLDGP-NMTNEYKDSA-N 2 1 423.605 3.716 20 0 HHADMP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(C)CCC[N@@H+](C)Cc1ccco1)[NH+](C)C ZINC000508870112 1003290804 /nfs/dbraw/zinc/29/08/04/1003290804.db2.gz KQWLJAFLZGJYEH-DENIHFKCSA-N 2 1 400.567 3.743 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3conc3Cc3ccccc3)CC2)CC1 ZINC000508878886 1003299765 /nfs/dbraw/zinc/29/97/65/1003299765.db2.gz NPVHUWXHDSPBHZ-UHFFFAOYSA-N 2 1 410.606 3.894 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(OC[C@H]4CCCO4)cc3)CC2)C[C@H](C)O1 ZINC000508894901 1003325468 /nfs/dbraw/zinc/32/54/68/1003325468.db2.gz ONCUEROBNHKBTE-TYBLODHISA-N 2 1 416.606 3.956 20 0 HHADMP C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000508941894 1003395040 /nfs/dbraw/zinc/39/50/40/1003395040.db2.gz MRMXCLTWGKVCQD-LQWHRVPQSA-N 2 1 411.512 3.820 20 0 HHADMP C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000508941894 1003395028 /nfs/dbraw/zinc/39/50/28/1003395028.db2.gz MRMXCLTWGKVCQD-LQWHRVPQSA-N 2 1 411.512 3.820 20 0 HHADMP C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000508941894 1003395051 /nfs/dbraw/zinc/39/50/51/1003395051.db2.gz MRMXCLTWGKVCQD-LQWHRVPQSA-N 2 1 411.512 3.820 20 0 HHADMP CC(C)N1CC[NH+](CCCN2CC[NH+](CCC34CC5CC(CC(C5)C3)C4)CC2)CC1 ZINC000500123143 1003485398 /nfs/dbraw/zinc/48/53/98/1003485398.db2.gz JXDUEGWGWLYQNA-UHFFFAOYSA-N 2 1 416.698 3.627 20 0 HHADMP CCC[NH+](C)[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)c1ccc(Cl)cc1 ZINC000509021446 1003493115 /nfs/dbraw/zinc/49/31/15/1003493115.db2.gz HVGVBRFKUTXKMU-CEWLAPEOSA-N 2 1 407.002 3.849 20 0 HHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21)c1ccc(Cl)cc1 ZINC000509021446 1003493105 /nfs/dbraw/zinc/49/31/05/1003493105.db2.gz HVGVBRFKUTXKMU-CEWLAPEOSA-N 2 1 407.002 3.849 20 0 HHADMP CCC[NH+](C)[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1ccc(Cl)cc1 ZINC000509021446 1003493109 /nfs/dbraw/zinc/49/31/09/1003493109.db2.gz HVGVBRFKUTXKMU-CEWLAPEOSA-N 2 1 407.002 3.849 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C1 ZINC000500137296 1003497150 /nfs/dbraw/zinc/49/71/50/1003497150.db2.gz APELLRRKFKZSSU-REWPJTCUSA-N 2 1 418.626 3.744 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000500138408 1003498050 /nfs/dbraw/zinc/49/80/50/1003498050.db2.gz LEOIRSLBWXUPGQ-OYRHEFFESA-N 2 1 400.611 3.840 20 0 HHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000509231494 1003641513 /nfs/dbraw/zinc/64/15/13/1003641513.db2.gz HALBOAWOVGVYMS-LQWHRVPQSA-N 2 1 411.512 3.678 20 0 HHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000509231494 1003641523 /nfs/dbraw/zinc/64/15/23/1003641523.db2.gz HALBOAWOVGVYMS-LQWHRVPQSA-N 2 1 411.512 3.678 20 0 HHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000509231494 1003641520 /nfs/dbraw/zinc/64/15/20/1003641520.db2.gz HALBOAWOVGVYMS-LQWHRVPQSA-N 2 1 411.512 3.678 20 0 HHADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000500440982 1003720098 /nfs/dbraw/zinc/72/00/98/1003720098.db2.gz LPZQMXGMIRQWNG-QHCPKHFHSA-N 2 1 424.614 3.547 20 0 HHADMP CCC[C@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccn1 ZINC000500479544 1003739790 /nfs/dbraw/zinc/73/97/90/1003739790.db2.gz PIWOPQBPOHVRMU-QFIPXVFZSA-N 2 1 400.611 3.620 20 0 HHADMP CCCN(CC[NH+]1CCCC1)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000500624486 1003840490 /nfs/dbraw/zinc/84/04/90/1003840490.db2.gz LZEZABBXEWOQLL-GMAHTHKFSA-N 2 1 400.611 3.805 20 0 HHADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000509467916 1003884038 /nfs/dbraw/zinc/88/40/38/1003884038.db2.gz GRTSBFFXPGGFSI-QFIPXVFZSA-N 2 1 419.491 3.819 20 0 HHADMP Cc1ccc(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)cc1NC(=O)C[NH+]1CCCCC1 ZINC000511943796 1003911649 /nfs/dbraw/zinc/91/16/49/1003911649.db2.gz OLZXLJJEKMIADV-QRVBRYPASA-N 2 1 400.567 3.619 20 0 HHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cc(N2CCCC[C@@H]2CO)ncn1 ZINC000509527016 1003924080 /nfs/dbraw/zinc/92/40/80/1003924080.db2.gz MKEATENXYFMQJE-NHCUHLMSSA-N 2 1 409.578 3.540 20 0 HHADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(c3cccc(Br)c3)CCOCC2)s1 ZINC000512087950 1004013327 /nfs/dbraw/zinc/01/33/27/1004013327.db2.gz MAZAFSWSTXNIMI-UHFFFAOYSA-N 2 1 424.408 3.805 20 0 HHADMP CCCC[NH+]1CCC(NC(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512091900 1004016476 /nfs/dbraw/zinc/01/64/76/1004016476.db2.gz VJTDYHOPKZALOV-IRLDBZIGSA-N 2 1 400.611 3.851 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000512160584 1004067125 /nfs/dbraw/zinc/06/71/25/1004067125.db2.gz XXWFIBRIVXIFLS-QFIPXVFZSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000509751168 1004071106 /nfs/dbraw/zinc/07/11/06/1004071106.db2.gz MDQWNMBXPCFGAF-UZKOGDIHSA-N 2 1 414.619 3.951 20 0 HHADMP C[N@@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501033214 1004136909 /nfs/dbraw/zinc/13/69/09/1004136909.db2.gz RPCZZHUKHNOXOQ-GOSISDBHSA-N 2 1 424.372 3.977 20 0 HHADMP CCN(C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1nc2ccccc2s1 ZINC000501037981 1004141198 /nfs/dbraw/zinc/14/11/98/1004141198.db2.gz IKLFRJODDYPJFU-UHFFFAOYSA-N 2 1 423.586 3.893 20 0 HHADMP O=C(CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)N1CCc2sccc2C1 ZINC000512247342 1004150680 /nfs/dbraw/zinc/15/06/80/1004150680.db2.gz XUAYSCCNWGPNOY-XMMPIXPASA-N 2 1 409.599 3.621 20 0 HHADMP O=C(CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)N1CCc2sccc2C1 ZINC000512247342 1004150683 /nfs/dbraw/zinc/15/06/83/1004150683.db2.gz XUAYSCCNWGPNOY-XMMPIXPASA-N 2 1 409.599 3.621 20 0 HHADMP O=C(CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N1CCc2sccc2C1 ZINC000512247342 1004150691 /nfs/dbraw/zinc/15/06/91/1004150691.db2.gz XUAYSCCNWGPNOY-XMMPIXPASA-N 2 1 409.599 3.621 20 0 HHADMP CC(C)c1ccc(CCNC(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501049925 1004151437 /nfs/dbraw/zinc/15/14/37/1004151437.db2.gz VJPLHZBZULCLHJ-UHFFFAOYSA-N 2 1 408.590 3.712 20 0 HHADMP CCC[N@H+](CC(=O)NCCCc1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512280680 1004182281 /nfs/dbraw/zinc/18/22/81/1004182281.db2.gz OTMRLTMUMURSMJ-UHFFFAOYSA-N 2 1 423.605 3.523 20 0 HHADMP CCC[N@@H+](CC(=O)NCCCc1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512280680 1004182284 /nfs/dbraw/zinc/18/22/84/1004182284.db2.gz OTMRLTMUMURSMJ-UHFFFAOYSA-N 2 1 423.605 3.523 20 0 HHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000501086359 1004192222 /nfs/dbraw/zinc/19/22/22/1004192222.db2.gz JQPQUJQINIOIJN-ZWOKBUDYSA-N 2 1 410.965 3.646 20 0 HHADMP CCC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000501086359 1004192224 /nfs/dbraw/zinc/19/22/24/1004192224.db2.gz JQPQUJQINIOIJN-ZWOKBUDYSA-N 2 1 410.965 3.646 20 0 HHADMP CCC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000501086359 1004192229 /nfs/dbraw/zinc/19/22/29/1004192229.db2.gz JQPQUJQINIOIJN-ZWOKBUDYSA-N 2 1 410.965 3.646 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2cc(Br)ccc2F)C2CC2)CC1 ZINC000501089111 1004194422 /nfs/dbraw/zinc/19/44/22/1004194422.db2.gz LMKPOQRIXHUNAH-UHFFFAOYSA-N 2 1 412.391 3.969 20 0 HHADMP O=C(CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)N1CCc2ccccc2C1 ZINC000512292358 1004196131 /nfs/dbraw/zinc/19/61/31/1004196131.db2.gz GWNQOESKEUHKMT-AREMUKBSSA-N 2 1 403.570 3.559 20 0 HHADMP O=C(CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)N1CCc2ccccc2C1 ZINC000512292358 1004196136 /nfs/dbraw/zinc/19/61/36/1004196136.db2.gz GWNQOESKEUHKMT-AREMUKBSSA-N 2 1 403.570 3.559 20 0 HHADMP O=C(CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N1CCc2ccccc2C1 ZINC000512292358 1004196146 /nfs/dbraw/zinc/19/61/46/1004196146.db2.gz GWNQOESKEUHKMT-AREMUKBSSA-N 2 1 403.570 3.559 20 0 HHADMP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000512318212 1004213739 /nfs/dbraw/zinc/21/37/39/1004213739.db2.gz LWGIFKQRFKQVNC-OKZBNKHCSA-N 2 1 403.567 3.664 20 0 HHADMP CCCOc1ccc(OCC[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512420366 1004285875 /nfs/dbraw/zinc/28/58/75/1004285875.db2.gz KIPPITDWANVEBZ-XMMPIXPASA-N 2 1 423.601 3.746 20 0 HHADMP CCCOc1ccc(OCC[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512420366 1004285884 /nfs/dbraw/zinc/28/58/84/1004285884.db2.gz KIPPITDWANVEBZ-XMMPIXPASA-N 2 1 423.601 3.746 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000512424415 1004290344 /nfs/dbraw/zinc/29/03/44/1004290344.db2.gz QEZCTSWPITYHFM-FGCOXFRFSA-N 2 1 412.622 3.660 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000512424415 1004290352 /nfs/dbraw/zinc/29/03/52/1004290352.db2.gz QEZCTSWPITYHFM-FGCOXFRFSA-N 2 1 412.622 3.660 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000512424415 1004290360 /nfs/dbraw/zinc/29/03/60/1004290360.db2.gz QEZCTSWPITYHFM-FGCOXFRFSA-N 2 1 412.622 3.660 20 0 HHADMP Fc1cc(OCCN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)ccc1Cl ZINC000512443334 1004305112 /nfs/dbraw/zinc/30/51/12/1004305112.db2.gz AVAZASRDQYOLOQ-HXUWFJFHSA-N 2 1 417.956 3.750 20 0 HHADMP C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000501363432 1004368376 /nfs/dbraw/zinc/36/83/76/1004368376.db2.gz OYYQOQXUWOFVGB-HBUYNFGHSA-N 2 1 408.590 3.888 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000501386035 1004382191 /nfs/dbraw/zinc/38/21/91/1004382191.db2.gz OSAKFSIFBSQEAN-PEARBKPGSA-N 2 1 420.601 3.859 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501386035 1004382200 /nfs/dbraw/zinc/38/22/00/1004382200.db2.gz OSAKFSIFBSQEAN-PEARBKPGSA-N 2 1 420.601 3.859 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501386035 1004382209 /nfs/dbraw/zinc/38/22/09/1004382209.db2.gz OSAKFSIFBSQEAN-PEARBKPGSA-N 2 1 420.601 3.859 20 0 HHADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000501391654 1004387137 /nfs/dbraw/zinc/38/71/37/1004387137.db2.gz MXORZUICMDFBIS-KWOQKUFVSA-N 2 1 424.589 3.508 20 0 HHADMP O[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)N(Cc2ccccc2)C1 ZINC000512626891 1004439600 /nfs/dbraw/zinc/43/96/00/1004439600.db2.gz XJBSZPFXRJJPGE-RFNQJFSXSA-N 2 1 419.613 3.512 20 0 HHADMP O[C@@H]1C[C@H](CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[NH+](Cc2ccccc2)C1 ZINC000512626891 1004439604 /nfs/dbraw/zinc/43/96/04/1004439604.db2.gz XJBSZPFXRJJPGE-RFNQJFSXSA-N 2 1 419.613 3.512 20 0 HHADMP O[C@@H]1C[C@H](CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[NH+](Cc2ccccc2)C1 ZINC000512626891 1004439610 /nfs/dbraw/zinc/43/96/10/1004439610.db2.gz XJBSZPFXRJJPGE-RFNQJFSXSA-N 2 1 419.613 3.512 20 0 HHADMP O[C@@H]1C[C@H](CN[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)[N@H+](Cc2ccccc2)C1 ZINC000512626891 1004439615 /nfs/dbraw/zinc/43/96/15/1004439615.db2.gz XJBSZPFXRJJPGE-RFNQJFSXSA-N 2 1 419.613 3.512 20 0 HHADMP O[C@@H]1C[C@H](CN[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)[N@@H+](Cc2ccccc2)C1 ZINC000512626891 1004439620 /nfs/dbraw/zinc/43/96/20/1004439620.db2.gz XJBSZPFXRJJPGE-RFNQJFSXSA-N 2 1 419.613 3.512 20 0 HHADMP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000501475645 1004449366 /nfs/dbraw/zinc/44/93/66/1004449366.db2.gz GLRJZVOLSXEBMQ-MSOLQXFVSA-N 2 1 407.002 3.867 20 0 HHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)CC2)nc(C)n1 ZINC000512646884 1004457985 /nfs/dbraw/zinc/45/79/85/1004457985.db2.gz DXVFLLNVKUKELA-ICDZXHCJSA-N 2 1 419.617 3.953 20 0 HHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)CC2)nc(C)[nH+]1 ZINC000512646884 1004457994 /nfs/dbraw/zinc/45/79/94/1004457994.db2.gz DXVFLLNVKUKELA-ICDZXHCJSA-N 3 1 419.617 3.953 20 0 HHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)CC2)nc(C)[nH+]1 ZINC000512646884 1004457998 /nfs/dbraw/zinc/45/79/98/1004457998.db2.gz DXVFLLNVKUKELA-ICDZXHCJSA-N 3 1 419.617 3.953 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCCc4nnc5n4CCCCC5)[C@@H]3C2)cc1 ZINC000512660857 1004471037 /nfs/dbraw/zinc/47/10/37/1004471037.db2.gz OZZQFECGXHBAKY-YTFSRNRJSA-N 2 1 407.606 3.827 20 0 HHADMP C[C@@H]1CN(Cc2ccccc2NC(=O)NC[C@H](c2ccsc2)N(C)C)C[C@H](C)O1 ZINC000501506004 1004475067 /nfs/dbraw/zinc/47/50/67/1004475067.db2.gz UPNBDBJBPNSPRT-LLGFUMIMSA-N 2 1 416.591 3.782 20 0 HHADMP O=C(NCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1c(F)cccc1F ZINC000512664571 1004475271 /nfs/dbraw/zinc/47/52/71/1004475271.db2.gz AGGAYOSRUVRURH-NNMXDRDESA-N 2 1 413.512 3.585 20 0 HHADMP O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000512839057 1004599597 /nfs/dbraw/zinc/59/95/97/1004599597.db2.gz QSJMWBQRMBBUJR-PMACEKPBSA-N 2 1 424.511 3.550 20 0 HHADMP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512847110 1004609466 /nfs/dbraw/zinc/60/94/66/1004609466.db2.gz SWCSUPMLXZHRNY-LJQANCHMSA-N 2 1 414.516 3.509 20 0 HHADMP Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501772289 1004710747 /nfs/dbraw/zinc/71/07/47/1004710747.db2.gz FFXDEXNYVYSRIT-UHFFFAOYSA-N 2 1 411.594 3.790 20 0 HHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC(c3ccc(O)cc3)CC2)CC1 ZINC000501779794 1004719340 /nfs/dbraw/zinc/71/93/40/1004719340.db2.gz KHYFEYRCCBIZES-UHFFFAOYSA-N 2 1 421.585 3.615 20 0 HHADMP Cc1cc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)n([C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000501782856 1004724323 /nfs/dbraw/zinc/72/43/23/1004724323.db2.gz WVCOUOZXZZHEMJ-FCHUYYIVSA-N 2 1 409.578 3.842 20 0 HHADMP Cc1cc(NC(=O)CC[C@@H]2CCCC[NH+]2C)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000501782856 1004724331 /nfs/dbraw/zinc/72/43/31/1004724331.db2.gz WVCOUOZXZZHEMJ-FCHUYYIVSA-N 2 1 409.578 3.842 20 0 HHADMP Cc1cc(NC(=O)CC[C@@H]2CCCC[NH+]2C)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000501782856 1004724345 /nfs/dbraw/zinc/72/43/45/1004724345.db2.gz WVCOUOZXZZHEMJ-FCHUYYIVSA-N 2 1 409.578 3.842 20 0 HHADMP C[NH+](C)CCCC1CC[NH+](Cc2csc(CC(=O)Nc3ccccc3)n2)CC1 ZINC000501791853 1004734599 /nfs/dbraw/zinc/73/45/99/1004734599.db2.gz GYEPWCKAMZIMNU-UHFFFAOYSA-N 2 1 400.592 3.878 20 0 HHADMP C[C@@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000501810955 1004751249 /nfs/dbraw/zinc/75/12/49/1004751249.db2.gz UCBVFNDYXBJEPL-RDPSFJRHSA-N 2 1 406.574 3.570 20 0 HHADMP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000513053839 1004781347 /nfs/dbraw/zinc/78/13/47/1004781347.db2.gz YTHRMBRBLMNGSX-DENIHFKCSA-N 2 1 421.651 3.848 20 0 HHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[NH+](C)C ZINC000501868342 1004787326 /nfs/dbraw/zinc/78/73/26/1004787326.db2.gz DZMFYQMBFHKKLS-GJPOJAMWSA-N 2 1 400.611 3.938 20 0 HHADMP C[C@H](CCc1c(F)cccc1F)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000510666208 1004788277 /nfs/dbraw/zinc/78/82/77/1004788277.db2.gz DGYPZNCPERXQDD-XLIONFOSSA-N 2 1 415.528 3.773 20 0 HHADMP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@@H]3CCC[N@H+]3Cc3ccccc3)cc2)CC1 ZINC000513216680 1004865626 /nfs/dbraw/zinc/86/56/26/1004865626.db2.gz GRRXCLPAKYCFIJ-VWLOTQADSA-N 2 1 420.601 3.611 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC[C@@H]3CCC[NH+]3Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000513234639 1004874291 /nfs/dbraw/zinc/87/42/91/1004874291.db2.gz ZUYJQEUFYOUOOO-BKSPAHHJSA-N 2 1 421.585 3.690 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC[C@@H]3CCC[NH+]3Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000513234639 1004874292 /nfs/dbraw/zinc/87/42/92/1004874292.db2.gz ZUYJQEUFYOUOOO-BKSPAHHJSA-N 2 1 421.585 3.690 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@@H]3CCC[N@@H+]3Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000513234639 1004874301 /nfs/dbraw/zinc/87/43/01/1004874301.db2.gz ZUYJQEUFYOUOOO-BKSPAHHJSA-N 2 1 421.585 3.690 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@@H]3CCC[N@H+]3Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000513234639 1004874305 /nfs/dbraw/zinc/87/43/05/1004874305.db2.gz ZUYJQEUFYOUOOO-BKSPAHHJSA-N 2 1 421.585 3.690 20 0 HHADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000513326813 1004913644 /nfs/dbraw/zinc/91/36/44/1004913644.db2.gz XHTMEJGLHUXJHV-SQJMNOBHSA-N 3 1 407.602 3.786 20 0 HHADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC000513326813 1004913648 /nfs/dbraw/zinc/91/36/48/1004913648.db2.gz XHTMEJGLHUXJHV-SQJMNOBHSA-N 3 1 407.602 3.786 20 0 HHADMP CCC[NH+]1CCC(NC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000502152585 1004925912 /nfs/dbraw/zinc/92/59/12/1004925912.db2.gz DVWDYZNWNRQLAP-UHFFFAOYSA-N 2 1 420.601 3.978 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)N2CCCC23CC[NH+](C)CC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000510937658 1004943875 /nfs/dbraw/zinc/94/38/75/1004943875.db2.gz PFBBKXYFSGJOKD-YLJYHZDGSA-N 2 1 422.976 3.742 20 0 HHADMP C[N@H+](CCN1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1)Cc1ccccc1 ZINC000513454973 1004973897 /nfs/dbraw/zinc/97/38/97/1004973897.db2.gz JIVUZYSBFMINTA-UHFFFAOYSA-N 2 1 417.557 3.519 20 0 HHADMP C[N@@H+](CCN1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1)Cc1ccccc1 ZINC000513454973 1004973900 /nfs/dbraw/zinc/97/39/00/1004973900.db2.gz JIVUZYSBFMINTA-UHFFFAOYSA-N 2 1 417.557 3.519 20 0 HHADMP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1 ZINC000511003559 1004975657 /nfs/dbraw/zinc/97/56/57/1004975657.db2.gz YHAQXVMDLJZFGI-RBUKOAKNSA-N 2 1 422.573 3.994 20 0 HHADMP Cc1c(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000513494274 1004990300 /nfs/dbraw/zinc/99/03/00/1004990300.db2.gz GZYATTMPLJNKEO-OFNKIYASSA-N 2 1 418.585 3.875 20 0 HHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)CC1 ZINC000502321477 1005010892 /nfs/dbraw/zinc/01/08/92/1005010892.db2.gz NWZMKALPLLOFIW-QFIPXVFZSA-N 2 1 407.606 3.741 20 0 HHADMP O=C(NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000513559748 1005022969 /nfs/dbraw/zinc/02/29/69/1005022969.db2.gz IMNHAVPSTIKJAJ-VWNXMTODSA-N 2 1 409.549 3.819 20 0 HHADMP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000513559748 1005022974 /nfs/dbraw/zinc/02/29/74/1005022974.db2.gz IMNHAVPSTIKJAJ-VWNXMTODSA-N 2 1 409.549 3.819 20 0 HHADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000513559748 1005022978 /nfs/dbraw/zinc/02/29/78/1005022978.db2.gz IMNHAVPSTIKJAJ-VWNXMTODSA-N 2 1 409.549 3.819 20 0 HHADMP CCC[N@H+](Cc1cc(C(=O)OC)ccc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000511130763 1005035344 /nfs/dbraw/zinc/03/53/44/1005035344.db2.gz LGSQNBBCDUVTJF-UHFFFAOYSA-N 2 1 414.525 3.900 20 0 HHADMP CCC[N@@H+](Cc1cc(C(=O)OC)ccc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000511130763 1005035350 /nfs/dbraw/zinc/03/53/50/1005035350.db2.gz LGSQNBBCDUVTJF-UHFFFAOYSA-N 2 1 414.525 3.900 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)cc2)C[C@@H](C)O1 ZINC000511144311 1005043440 /nfs/dbraw/zinc/04/34/40/1005043440.db2.gz RPMQTHKQGPWDMS-OTPAQWSUSA-N 2 1 421.585 3.577 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(Cl)c4cccnc34)CC2)CC1 ZINC000513646781 1005064933 /nfs/dbraw/zinc/06/49/33/1005064933.db2.gz BOYNBCAFZTUCLN-UHFFFAOYSA-N 2 1 414.981 3.654 20 0 HHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)[C@@H]2CCC[C@H]21 ZINC000513659791 1005070323 /nfs/dbraw/zinc/07/03/23/1005070323.db2.gz DFIYNZOZFXAOLQ-YQFWSFKMSA-N 2 1 402.892 3.795 20 0 HHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(-c4ccccc4Cl)o3)CC2)CC1 ZINC000513672071 1005076111 /nfs/dbraw/zinc/07/61/11/1005076111.db2.gz IMTMAYFQNANUBL-UHFFFAOYSA-N 2 1 415.965 3.976 20 0 HHADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)[C@H]2CCC[C@H]21 ZINC000513713123 1005092648 /nfs/dbraw/zinc/09/26/48/1005092648.db2.gz KSUGCHXFERAQFU-QHAWAJNXSA-N 2 1 406.412 3.876 20 0 HHADMP C[C@@H](NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511264636 1005097400 /nfs/dbraw/zinc/09/74/00/1005097400.db2.gz GNAPRKGDUHLXKV-IFMALSPDSA-N 2 1 404.643 3.937 20 0 HHADMP C[C@H](NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511292749 1005111307 /nfs/dbraw/zinc/11/13/07/1005111307.db2.gz KBAPVHAQTGJLFJ-MDNUFGMLSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@H](NC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511292749 1005111311 /nfs/dbraw/zinc/11/13/11/1005111311.db2.gz KBAPVHAQTGJLFJ-MDNUFGMLSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@H](NC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511292749 1005111316 /nfs/dbraw/zinc/11/13/16/1005111316.db2.gz KBAPVHAQTGJLFJ-MDNUFGMLSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511295577 1005112727 /nfs/dbraw/zinc/11/27/27/1005112727.db2.gz VJVWGCQWQIPVME-RDCABSMISA-N 2 1 412.622 3.849 20 0 HHADMP C[C@H](NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511295577 1005112730 /nfs/dbraw/zinc/11/27/30/1005112730.db2.gz VJVWGCQWQIPVME-RDCABSMISA-N 2 1 412.622 3.849 20 0 HHADMP C[C@H](NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511295577 1005112733 /nfs/dbraw/zinc/11/27/33/1005112733.db2.gz VJVWGCQWQIPVME-RDCABSMISA-N 2 1 412.622 3.849 20 0 HHADMP C[C@@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511439994 1005177310 /nfs/dbraw/zinc/17/73/10/1005177310.db2.gz UKTAAPMOLZIFFO-UYAOXDASSA-N 2 1 418.651 3.912 20 0 HHADMP CC1CC[NH+](C2CCC(NC(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)CC2)CC1 ZINC000502786661 1005217113 /nfs/dbraw/zinc/21/71/13/1005217113.db2.gz AZWLARRDQPYDEV-UHFFFAOYSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000514010173 1005226700 /nfs/dbraw/zinc/22/67/00/1005226700.db2.gz UIPGEXGCRCZARZ-GBXCKJPGSA-N 2 1 406.574 3.917 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1F ZINC000514010889 1005227319 /nfs/dbraw/zinc/22/73/19/1005227319.db2.gz HELQLRGFGHSHDK-UHFFFAOYSA-N 2 1 409.509 3.641 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCC[N@H+](C)Cc2ccccc2)cc1F ZINC000514010889 1005227324 /nfs/dbraw/zinc/22/73/24/1005227324.db2.gz HELQLRGFGHSHDK-UHFFFAOYSA-N 2 1 409.509 3.641 20 0 HHADMP CCC1(CNC(=O)N(C)CCCn2cc[nH+]c2C)CC[NH+](Cc2ccccc2)CC1 ZINC000514028782 1005234723 /nfs/dbraw/zinc/23/47/23/1005234723.db2.gz JRUXSCMQWSNZTQ-UHFFFAOYSA-N 2 1 411.594 3.915 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+](C)CC[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000502846391 1005242249 /nfs/dbraw/zinc/24/22/49/1005242249.db2.gz DLLVJGFCBLTAFY-LPHOPBHVSA-N 2 1 414.516 3.824 20 0 HHADMP COc1cccc([C@@H](CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)[NH+]2CCCC2)c1 ZINC000502876861 1005254775 /nfs/dbraw/zinc/25/47/75/1005254775.db2.gz OUXAFMGAYVMMRK-NZQKXSOJSA-N 2 1 416.610 3.643 20 0 HHADMP COc1ccc([C@@H](CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000502889492 1005261001 /nfs/dbraw/zinc/26/10/01/1005261001.db2.gz XLQGQNXYHWLEGP-NZQKXSOJSA-N 2 1 416.610 3.643 20 0 HHADMP COC(=O)c1csc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000514092019 1005261613 /nfs/dbraw/zinc/26/16/13/1005261613.db2.gz AWZCNEYYMBQCHX-IXDOHACOSA-N 2 1 402.560 3.995 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc1F ZINC000514127380 1005278839 /nfs/dbraw/zinc/27/88/39/1005278839.db2.gz UFBINUHMHRVWMD-QGZVFWFLSA-N 2 1 401.530 3.774 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc1F ZINC000514127380 1005278842 /nfs/dbraw/zinc/27/88/42/1005278842.db2.gz UFBINUHMHRVWMD-QGZVFWFLSA-N 2 1 401.530 3.774 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000511716130 1005289698 /nfs/dbraw/zinc/28/96/98/1005289698.db2.gz OSOHPZREVPZDDS-JQVVWYNYSA-N 2 1 401.620 3.713 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000514217836 1005318228 /nfs/dbraw/zinc/31/82/28/1005318228.db2.gz FYLCBCWZHFBBAJ-QDSKXPNFSA-N 2 1 406.574 3.958 20 0 HHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000514241155 1005328508 /nfs/dbraw/zinc/32/85/08/1005328508.db2.gz FTUYMKXCXNONPV-QHCPKHFHSA-N 2 1 424.976 3.999 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000514312051 1005335772 /nfs/dbraw/zinc/33/57/72/1005335772.db2.gz VWPQYBZKVQSXOM-LOSJGSFVSA-N 2 1 420.601 3.807 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000514312051 1005335777 /nfs/dbraw/zinc/33/57/77/1005335777.db2.gz VWPQYBZKVQSXOM-LOSJGSFVSA-N 2 1 420.601 3.807 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000514312051 1005335783 /nfs/dbraw/zinc/33/57/83/1005335783.db2.gz VWPQYBZKVQSXOM-LOSJGSFVSA-N 2 1 420.601 3.807 20 0 HHADMP CC(C)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000503200426 1005367275 /nfs/dbraw/zinc/36/72/75/1005367275.db2.gz VHHPFCWJYRMNCP-BJKOFHAPSA-N 2 1 414.638 3.607 20 0 HHADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000503504851 1005439419 /nfs/dbraw/zinc/43/94/19/1005439419.db2.gz RXSZDTPGWWGBER-DHIUTWEWSA-N 2 1 424.589 3.670 20 0 HHADMP CC(C)[NH+](CCN(C)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000503991612 1005527484 /nfs/dbraw/zinc/52/74/84/1005527484.db2.gz CZWJVSDHMORGLZ-NHCUHLMSSA-N 2 1 418.626 3.556 20 0 HHADMP CC(C)[NH+](CCN(C)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000503991616 1005527516 /nfs/dbraw/zinc/52/75/16/1005527516.db2.gz CZWJVSDHMORGLZ-SFTDATJTSA-N 2 1 418.626 3.556 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000504174513 1005566865 /nfs/dbraw/zinc/56/68/65/1005566865.db2.gz AEOFQZMZCHSEKT-URXFXBBRSA-N 2 1 406.574 3.739 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000504174513 1005566867 /nfs/dbraw/zinc/56/68/67/1005566867.db2.gz AEOFQZMZCHSEKT-URXFXBBRSA-N 2 1 406.574 3.739 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000504174513 1005566869 /nfs/dbraw/zinc/56/68/69/1005566869.db2.gz AEOFQZMZCHSEKT-URXFXBBRSA-N 2 1 406.574 3.739 20 0 HHADMP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000504380052 1005612233 /nfs/dbraw/zinc/61/22/33/1005612233.db2.gz ADBUEAPDUYHHFJ-BBRMVZONSA-N 2 1 408.896 3.515 20 0 HHADMP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000504380052 1005612237 /nfs/dbraw/zinc/61/22/37/1005612237.db2.gz ADBUEAPDUYHHFJ-BBRMVZONSA-N 2 1 408.896 3.515 20 0 HHADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000504434462 1005627967 /nfs/dbraw/zinc/62/79/67/1005627967.db2.gz MUVYAVKRUMMNBR-JOCHJYFZSA-N 2 1 400.611 3.805 20 0 HHADMP C[N@@H+]1CC[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000534098081 1006070320 /nfs/dbraw/zinc/07/03/20/1006070320.db2.gz ITVHSFLCWYCQJK-LEWJYISDSA-N 2 1 404.986 3.603 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000534098081 1006070334 /nfs/dbraw/zinc/07/03/34/1006070334.db2.gz ITVHSFLCWYCQJK-LEWJYISDSA-N 2 1 404.986 3.603 20 0 HHADMP CCC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534234861 1006237271 /nfs/dbraw/zinc/23/72/71/1006237271.db2.gz HPXMCMLKKRIICK-OXJNMPFZSA-N 2 1 410.965 3.646 20 0 HHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534252796 1006261358 /nfs/dbraw/zinc/26/13/58/1006261358.db2.gz WXIITULMASAQNE-WIRSXHRWSA-N 2 1 422.976 3.740 20 0 HHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534252796 1006261372 /nfs/dbraw/zinc/26/13/72/1006261372.db2.gz WXIITULMASAQNE-WIRSXHRWSA-N 2 1 422.976 3.740 20 0 HHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534252796 1006261383 /nfs/dbraw/zinc/26/13/83/1006261383.db2.gz WXIITULMASAQNE-WIRSXHRWSA-N 2 1 422.976 3.740 20 0 HHADMP COCCC[NH+]1CCC([NH2+]Cc2cc(Br)cc(Br)c2)CC1 ZINC000515087699 1006279735 /nfs/dbraw/zinc/27/97/35/1006279735.db2.gz MKJFINJUAZMLMS-UHFFFAOYSA-N 2 1 420.189 3.802 20 0 HHADMP COc1ccccc1-c1ccc([C@H](C)[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000531629612 1006316141 /nfs/dbraw/zinc/31/61/41/1006316141.db2.gz XJWNCCLNUCCXDD-IBGZPJMESA-N 2 1 417.557 3.755 20 0 HHADMP COCC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000531700846 1006364316 /nfs/dbraw/zinc/36/43/16/1006364316.db2.gz FAVAUQJXFZHRNA-CYBMUJFWSA-N 2 1 421.891 3.776 20 0 HHADMP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000531702942 1006366123 /nfs/dbraw/zinc/36/61/23/1006366123.db2.gz VTPWDIVJHXSBPR-CVDCTZTESA-N 2 1 421.651 3.647 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CSCCc4ccccc43)c2)C1 ZINC000531714449 1006372829 /nfs/dbraw/zinc/37/28/29/1006372829.db2.gz QARYEOHTAXOFRJ-GGAORHGYSA-N 2 1 409.599 3.504 20 0 HHADMP C[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C(c1ccccc1)c1ccccc1 ZINC000531885324 1006498772 /nfs/dbraw/zinc/49/87/72/1006498772.db2.gz FRJOFJKEVFSUML-HXUWFJFHSA-N 2 1 401.558 3.539 20 0 HHADMP Cc1c([C@H](C)N[C@@H](CN2CCN(C)CC2)c2ccccc2)nnn1-c1ccc(C)cc1 ZINC000531965631 1006550710 /nfs/dbraw/zinc/55/07/10/1006550710.db2.gz IULGAGIYLCRUTO-RDPSFJRHSA-N 2 1 418.589 3.523 20 0 HHADMP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1OCc1cccs1 ZINC000532015411 1006576728 /nfs/dbraw/zinc/57/67/28/1006576728.db2.gz FVOAUDAWAFMPPF-RTWAWAEBSA-N 2 1 416.587 3.803 20 0 HHADMP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1OCc1cccs1 ZINC000532015412 1006576955 /nfs/dbraw/zinc/57/69/55/1006576955.db2.gz FVOAUDAWAFMPPF-SFTDATJTSA-N 2 1 416.587 3.803 20 0 HHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](CCC(F)(F)F)CC3CC3)CC2)cc1 ZINC000538354424 1006622789 /nfs/dbraw/zinc/62/27/89/1006622789.db2.gz WFCZFTVXULPWSU-UHFFFAOYSA-N 2 1 411.512 3.694 20 0 HHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](CCC(F)(F)F)CC3CC3)CC2)cc1 ZINC000538354424 1006622794 /nfs/dbraw/zinc/62/27/94/1006622794.db2.gz WFCZFTVXULPWSU-UHFFFAOYSA-N 2 1 411.512 3.694 20 0 HHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](CCC(F)(F)F)CC3CC3)CC2)cc1 ZINC000538354424 1006622801 /nfs/dbraw/zinc/62/28/01/1006622801.db2.gz WFCZFTVXULPWSU-UHFFFAOYSA-N 2 1 411.512 3.694 20 0 HHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](CCC(F)(F)F)CC3CC3)CC2)cc1 ZINC000538354424 1006622808 /nfs/dbraw/zinc/62/28/08/1006622808.db2.gz WFCZFTVXULPWSU-UHFFFAOYSA-N 2 1 411.512 3.694 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)NCC1=CC[N@@H+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000538383167 1006653251 /nfs/dbraw/zinc/65/32/51/1006653251.db2.gz JAPJYNNHZXEVKT-LJQANCHMSA-N 2 1 412.500 3.649 20 0 HHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](CC(=O)N[C@H](c3cccs3)C(C)(C)C)CC2)C[C@H](C)O1 ZINC000532155697 1006679925 /nfs/dbraw/zinc/67/99/25/1006679925.db2.gz LQJOAGYNAJSJEF-KGVIQGDOSA-N 2 1 421.651 3.773 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](CC(=O)N[C@H](c3cccs3)C(C)(C)C)CC2)C[C@H](C)O1 ZINC000532155697 1006679928 /nfs/dbraw/zinc/67/99/28/1006679928.db2.gz LQJOAGYNAJSJEF-KGVIQGDOSA-N 2 1 421.651 3.773 20 0 HHADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000515801648 1006681543 /nfs/dbraw/zinc/68/15/43/1006681543.db2.gz RHJUZCAWZSJKJO-DEOSSOPVSA-N 2 1 422.573 3.520 20 0 HHADMP CSc1ccccc1CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000538568505 1006834133 /nfs/dbraw/zinc/83/41/33/1006834133.db2.gz LAUAOJJNHUYYGZ-UHFFFAOYSA-N 2 1 403.636 3.606 20 0 HHADMP C[NH+]1CCN([C@H](C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)c2cccs2)CC1 ZINC000532442873 1006887067 /nfs/dbraw/zinc/88/70/67/1006887067.db2.gz YOPNFEVMEUKCRA-OAQYLSRUSA-N 2 1 420.573 3.573 20 0 HHADMP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000532482528 1006921795 /nfs/dbraw/zinc/92/17/95/1006921795.db2.gz JNFRTOQVDOKOIA-XXBNENTESA-N 2 1 421.651 3.647 20 0 HHADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)C[NH+]1CCCCC1 ZINC000516159436 1006922516 /nfs/dbraw/zinc/92/25/16/1006922516.db2.gz WZAMFSOTDOJMPI-LEWJYISDSA-N 2 1 400.611 3.982 20 0 HHADMP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)Cn2c[nH+]c3c2CCCC3)cc1 ZINC000538653781 1006926283 /nfs/dbraw/zinc/92/62/83/1006926283.db2.gz TZXJGRANJBNCJA-UHFFFAOYSA-N 2 1 402.542 3.807 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N(C)CC[NH+]2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538661370 1006935143 /nfs/dbraw/zinc/93/51/43/1006935143.db2.gz DTWSHTNXTMZZSG-WOJBJXKFSA-N 2 1 410.965 3.740 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N(C)CC[NH+]2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538661370 1006935152 /nfs/dbraw/zinc/93/51/52/1006935152.db2.gz DTWSHTNXTMZZSG-WOJBJXKFSA-N 2 1 410.965 3.740 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N2CCC(C[NH+](C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538664643 1006945595 /nfs/dbraw/zinc/94/55/95/1006945595.db2.gz SBXBGNNGVVDIOZ-RTWAWAEBSA-N 2 1 424.992 3.986 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N2CCC(C[NH+](C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538664643 1006945603 /nfs/dbraw/zinc/94/56/03/1006945603.db2.gz SBXBGNNGVVDIOZ-RTWAWAEBSA-N 2 1 424.992 3.986 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CCC(C[NH+](C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538664644 1006945639 /nfs/dbraw/zinc/94/56/39/1006945639.db2.gz SBXBGNNGVVDIOZ-SFTDATJTSA-N 2 1 424.992 3.986 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CCC(C[NH+](C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538664644 1006945645 /nfs/dbraw/zinc/94/56/45/1006945645.db2.gz SBXBGNNGVVDIOZ-SFTDATJTSA-N 2 1 424.992 3.986 20 0 HHADMP CC1CC[NH+](C[C@H]2CCCN(CC[N@@H+]3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)C2)CC1 ZINC000532512102 1006949778 /nfs/dbraw/zinc/94/97/78/1006949778.db2.gz VSCVSEXCYTWUMT-WMPKNSHKSA-N 3 1 418.714 3.874 20 0 HHADMP CC1CC[NH+](C[C@H]2CCCN(CC[N@H+]3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)C2)CC1 ZINC000532512102 1006949796 /nfs/dbraw/zinc/94/97/96/1006949796.db2.gz VSCVSEXCYTWUMT-WMPKNSHKSA-N 3 1 418.714 3.874 20 0 HHADMP CC1CC[NH+](C[C@@H]2CCCN(CC[N@@H+]3CCC[C@H](C[NH+]4CCC(C)CC4)C3)C2)CC1 ZINC000532512102 1006949808 /nfs/dbraw/zinc/94/98/08/1006949808.db2.gz VSCVSEXCYTWUMT-WMPKNSHKSA-N 3 1 418.714 3.874 20 0 HHADMP CC1CC[NH+](C[C@@H]2CCCN(CC[N@H+]3CCC[C@H](C[NH+]4CCC(C)CC4)C3)C2)CC1 ZINC000532512102 1006949821 /nfs/dbraw/zinc/94/98/21/1006949821.db2.gz VSCVSEXCYTWUMT-WMPKNSHKSA-N 3 1 418.714 3.874 20 0 HHADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000516242083 1006969754 /nfs/dbraw/zinc/96/97/54/1006969754.db2.gz BDVNZVGMKQKDAU-KSZLIROESA-N 2 1 422.564 3.595 20 0 HHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000516242083 1006969767 /nfs/dbraw/zinc/96/97/67/1006969767.db2.gz BDVNZVGMKQKDAU-KSZLIROESA-N 2 1 422.564 3.595 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534941580 1006982284 /nfs/dbraw/zinc/98/22/84/1006982284.db2.gz RNIMVNXRSAWZHZ-BLIXFSHQSA-N 2 1 424.992 3.749 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534941580 1006982291 /nfs/dbraw/zinc/98/22/91/1006982291.db2.gz RNIMVNXRSAWZHZ-BLIXFSHQSA-N 2 1 424.992 3.749 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534941580 1006982297 /nfs/dbraw/zinc/98/22/97/1006982297.db2.gz RNIMVNXRSAWZHZ-BLIXFSHQSA-N 2 1 424.992 3.749 20 0 HHADMP CCCCCOc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1OC ZINC000538723105 1006998381 /nfs/dbraw/zinc/99/83/81/1006998381.db2.gz JWSYAJCHUQDEQD-IFMALSPDSA-N 2 1 403.611 3.722 20 0 HHADMP CCCCCOc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1OC ZINC000538723105 1006998389 /nfs/dbraw/zinc/99/83/89/1006998389.db2.gz JWSYAJCHUQDEQD-IFMALSPDSA-N 2 1 403.611 3.722 20 0 HHADMP C[C@@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000538723146 1006998903 /nfs/dbraw/zinc/99/89/03/1006998903.db2.gz LTQFEOQCUGRVQZ-QPPBQGQZSA-N 2 1 423.649 3.687 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000538723146 1006998915 /nfs/dbraw/zinc/99/89/15/1006998915.db2.gz LTQFEOQCUGRVQZ-QPPBQGQZSA-N 2 1 423.649 3.687 20 0 HHADMP C[C@H](C(=O)NC(=O)Nc1ccccc1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534965521 1007017765 /nfs/dbraw/zinc/01/77/65/1007017765.db2.gz WSTKMHCJGWFMHG-HXUWFJFHSA-N 2 1 420.557 3.711 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000534978439 1007037498 /nfs/dbraw/zinc/03/74/98/1007037498.db2.gz AAVKOJXJFSXDLC-AVRDEDQJSA-N 2 1 412.553 3.740 20 0 HHADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000534997508 1007057346 /nfs/dbraw/zinc/05/73/46/1007057346.db2.gz MWMZJOSDBPWKDX-VQTJNVASSA-N 2 1 417.619 3.665 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000538796498 1007077148 /nfs/dbraw/zinc/07/71/48/1007077148.db2.gz JUNSLBJIZCKGDM-SGNDLWITSA-N 2 1 417.557 3.618 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000538796498 1007077161 /nfs/dbraw/zinc/07/71/61/1007077161.db2.gz JUNSLBJIZCKGDM-SGNDLWITSA-N 2 1 417.557 3.618 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000538901180 1007180785 /nfs/dbraw/zinc/18/07/85/1007180785.db2.gz CUAAXVSXZCQTOY-UHFFFAOYSA-N 2 1 423.605 3.981 20 0 HHADMP CCC1(CNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000532813861 1007198836 /nfs/dbraw/zinc/19/88/36/1007198836.db2.gz JUYQMOTUHIFZJC-JOCHJYFZSA-N 2 1 400.611 3.662 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCc1ccc(Cl)cc1 ZINC000538944171 1007228474 /nfs/dbraw/zinc/22/84/74/1007228474.db2.gz ORYNHWPCTPRUMI-UHFFFAOYSA-N 2 1 400.954 3.590 20 0 HHADMP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538944850 1007229614 /nfs/dbraw/zinc/22/96/14/1007229614.db2.gz AEIBKPXBPQRBRB-FQEVSTJZSA-N 2 1 424.589 3.848 20 0 HHADMP COc1ccccc1[C@H](C)NC(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538945740 1007230207 /nfs/dbraw/zinc/23/02/07/1007230207.db2.gz HCZXZJCIRBCBCK-IBGZPJMESA-N 2 1 410.562 3.506 20 0 HHADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000516684187 1007230540 /nfs/dbraw/zinc/23/05/40/1007230540.db2.gz BKKYLQULDWEEAM-OALUTQOASA-N 2 1 407.002 3.678 20 0 HHADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000516684187 1007230553 /nfs/dbraw/zinc/23/05/53/1007230553.db2.gz BKKYLQULDWEEAM-OALUTQOASA-N 2 1 407.002 3.678 20 0 HHADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000516684187 1007230563 /nfs/dbraw/zinc/23/05/63/1007230563.db2.gz BKKYLQULDWEEAM-OALUTQOASA-N 2 1 407.002 3.678 20 0 HHADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000516684187 1007230577 /nfs/dbraw/zinc/23/05/77/1007230577.db2.gz BKKYLQULDWEEAM-OALUTQOASA-N 2 1 407.002 3.678 20 0 HHADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000516684181 1007231084 /nfs/dbraw/zinc/23/10/84/1007231084.db2.gz BKKYLQULDWEEAM-MOPGFXCFSA-N 2 1 407.002 3.678 20 0 HHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000516684181 1007231093 /nfs/dbraw/zinc/23/10/93/1007231093.db2.gz BKKYLQULDWEEAM-MOPGFXCFSA-N 2 1 407.002 3.678 20 0 HHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000516684181 1007231099 /nfs/dbraw/zinc/23/10/99/1007231099.db2.gz BKKYLQULDWEEAM-MOPGFXCFSA-N 2 1 407.002 3.678 20 0 HHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000516684181 1007231105 /nfs/dbraw/zinc/23/11/05/1007231105.db2.gz BKKYLQULDWEEAM-MOPGFXCFSA-N 2 1 407.002 3.678 20 0 HHADMP CC[N@H+](CCC1CC[NH+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1)CC1CC1 ZINC000538947894 1007234193 /nfs/dbraw/zinc/23/41/93/1007234193.db2.gz GEEHSTHTRUUZDX-HSZRJFAPSA-N 2 1 401.570 3.979 20 0 HHADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1)CC1CC1 ZINC000538947894 1007234202 /nfs/dbraw/zinc/23/42/02/1007234202.db2.gz GEEHSTHTRUUZDX-HSZRJFAPSA-N 2 1 401.570 3.979 20 0 HHADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)NC(=O)Nc2ccccc2F)CC1)CC1CC1 ZINC000538951816 1007239336 /nfs/dbraw/zinc/23/93/36/1007239336.db2.gz YOZZRLLQBTUDEA-QGZVFWFLSA-N 2 1 418.557 3.696 20 0 HHADMP CCOC(=O)c1sc2nc(C[NH+](C)C)nc(NCC[N@H+](C)C3CCCC3)c2c1C ZINC000517093448 1007405080 /nfs/dbraw/zinc/40/50/80/1007405080.db2.gz VWVDYHYVYAZVBF-UHFFFAOYSA-N 2 1 419.595 3.524 20 0 HHADMP CCOC(=O)c1sc2nc(C[NH+](C)C)nc(NCC[N@@H+](C)C3CCCC3)c2c1C ZINC000517093448 1007405089 /nfs/dbraw/zinc/40/50/89/1007405089.db2.gz VWVDYHYVYAZVBF-UHFFFAOYSA-N 2 1 419.595 3.524 20 0 HHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3ccc(Cl)c4cccnc34)CC2)C[C@H](C)O1 ZINC000539147604 1007443483 /nfs/dbraw/zinc/44/34/83/1007443483.db2.gz KJUBIFNNADDWPM-HDICACEKSA-N 2 1 417.981 3.978 20 0 HHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3ccc(Cl)c4cccnc34)CC2)C[C@H](C)O1 ZINC000539147604 1007443491 /nfs/dbraw/zinc/44/34/91/1007443491.db2.gz KJUBIFNNADDWPM-HDICACEKSA-N 2 1 417.981 3.978 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000539160044 1007459805 /nfs/dbraw/zinc/45/98/05/1007459805.db2.gz JFSQSMZKTFPLNM-SFHVURJKSA-N 2 1 415.603 3.949 20 0 HHADMP CCCC[N@H+](CC)Cc1cccc(CNC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)c1 ZINC000539190236 1007490047 /nfs/dbraw/zinc/49/00/47/1007490047.db2.gz NTUPDIXIORZYAN-UHFFFAOYSA-N 2 1 422.573 3.509 20 0 HHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)c1 ZINC000539190236 1007490056 /nfs/dbraw/zinc/49/00/56/1007490056.db2.gz NTUPDIXIORZYAN-UHFFFAOYSA-N 2 1 422.573 3.509 20 0 HHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)c1 ZINC000539190236 1007490065 /nfs/dbraw/zinc/49/00/65/1007490065.db2.gz NTUPDIXIORZYAN-UHFFFAOYSA-N 2 1 422.573 3.509 20 0 HHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)c1 ZINC000539190236 1007490076 /nfs/dbraw/zinc/49/00/76/1007490076.db2.gz NTUPDIXIORZYAN-UHFFFAOYSA-N 2 1 422.573 3.509 20 0 HHADMP CCC1(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000533153964 1007492706 /nfs/dbraw/zinc/49/27/06/1007492706.db2.gz QMDRRGRFVIRUPN-RBBKRZOGSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@H]([NH2+][C@@H](C)c1ccccc1OC(F)F)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539246919 1007540340 /nfs/dbraw/zinc/54/03/40/1007540340.db2.gz SUIXEXFTMZKZEF-LNLFQRSKSA-N 2 1 417.500 3.718 20 0 HHADMP C[C@H]([NH2+][C@@H](C)c1ccccc1OC(F)F)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000539246919 1007540344 /nfs/dbraw/zinc/54/03/44/1007540344.db2.gz SUIXEXFTMZKZEF-LNLFQRSKSA-N 2 1 417.500 3.718 20 0 HHADMP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)cc2)C1 ZINC000535504087 1007560811 /nfs/dbraw/zinc/56/08/11/1007560811.db2.gz NCWMMKZGCFVACT-DUXKGJEZSA-N 2 1 407.002 3.897 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)cc2)C1 ZINC000535504087 1007560823 /nfs/dbraw/zinc/56/08/23/1007560823.db2.gz NCWMMKZGCFVACT-DUXKGJEZSA-N 2 1 407.002 3.897 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)C1 ZINC000535504087 1007560833 /nfs/dbraw/zinc/56/08/33/1007560833.db2.gz NCWMMKZGCFVACT-DUXKGJEZSA-N 2 1 407.002 3.897 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)C1 ZINC000535504087 1007560839 /nfs/dbraw/zinc/56/08/39/1007560839.db2.gz NCWMMKZGCFVACT-DUXKGJEZSA-N 2 1 407.002 3.897 20 0 HHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl ZINC000535508656 1007564546 /nfs/dbraw/zinc/56/45/46/1007564546.db2.gz RRBKQBQDPXOMSR-KBXCAEBGSA-N 2 1 401.776 3.916 20 0 HHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc3cnccn23)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000533329942 1007639817 /nfs/dbraw/zinc/63/98/17/1007639817.db2.gz XQHNAPJHPAUFJI-OXQOHEQNSA-N 2 1 403.452 3.921 20 0 HHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc3cnccn23)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000533329942 1007639818 /nfs/dbraw/zinc/63/98/18/1007639818.db2.gz XQHNAPJHPAUFJI-OXQOHEQNSA-N 2 1 403.452 3.921 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000517462795 1007686969 /nfs/dbraw/zinc/68/69/69/1007686969.db2.gz RGWYIFWCOJKEGX-LPHOPBHVSA-N 2 1 414.516 3.729 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C(=O)N1c1ccccc1 ZINC000539393250 1007698984 /nfs/dbraw/zinc/69/89/84/1007698984.db2.gz SATZVJOUZUAUKP-BVYCBKJFSA-N 2 1 405.542 3.758 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535684349 1007716013 /nfs/dbraw/zinc/71/60/13/1007716013.db2.gz UVCMNOQSPBAABU-LVCYWYKZSA-N 2 1 422.976 3.742 20 0 HHADMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC1 ZINC000533407889 1007717324 /nfs/dbraw/zinc/71/73/24/1007717324.db2.gz GQEGQJVCOAWYHM-UHFFFAOYSA-N 2 1 401.551 3.719 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC1 ZINC000533407889 1007717330 /nfs/dbraw/zinc/71/73/30/1007717330.db2.gz GQEGQJVCOAWYHM-UHFFFAOYSA-N 2 1 401.551 3.719 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)c1ccco1 ZINC000535700316 1007736696 /nfs/dbraw/zinc/73/66/96/1007736696.db2.gz MWRIBEWDSUTFTP-NRFANRHFSA-N 2 1 410.562 3.580 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccco1 ZINC000535700316 1007736706 /nfs/dbraw/zinc/73/67/06/1007736706.db2.gz MWRIBEWDSUTFTP-NRFANRHFSA-N 2 1 410.562 3.580 20 0 HHADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1 ZINC000517548626 1007763898 /nfs/dbraw/zinc/76/38/98/1007763898.db2.gz ZPTPDEQKDWHNPF-UHFFFAOYSA-N 2 1 421.463 3.751 20 0 HHADMP CC(C)Oc1ccc([C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[NH+](C)C)cc1 ZINC000517613011 1007817441 /nfs/dbraw/zinc/81/74/41/1007817441.db2.gz RBUVQXTYDFFTIR-NZQKXSOJSA-N 2 1 401.595 3.847 20 0 HHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)C1 ZINC000517642182 1007852150 /nfs/dbraw/zinc/85/21/50/1007852150.db2.gz MYFMURLKOKAAFQ-PCCBWWKXSA-N 2 1 415.622 3.926 20 0 HHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)C1 ZINC000517642182 1007852160 /nfs/dbraw/zinc/85/21/60/1007852160.db2.gz MYFMURLKOKAAFQ-PCCBWWKXSA-N 2 1 415.622 3.926 20 0 HHADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000539576614 1007892403 /nfs/dbraw/zinc/89/24/03/1007892403.db2.gz PLFDCUCPLRVQCQ-VQTJNVASSA-N 2 1 411.512 3.874 20 0 HHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000533600560 1007899345 /nfs/dbraw/zinc/89/93/45/1007899345.db2.gz VQOAEOUGDJZRAA-UHFFFAOYSA-N 2 1 411.615 3.876 20 0 HHADMP C[C@@H](C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000517717980 1007929295 /nfs/dbraw/zinc/92/92/95/1007929295.db2.gz QONAVWLDJDPODB-WMZHIEFXSA-N 2 1 419.569 3.538 20 0 HHADMP C[C@@H](C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000517717980 1007929299 /nfs/dbraw/zinc/92/92/99/1007929299.db2.gz QONAVWLDJDPODB-WMZHIEFXSA-N 2 1 419.569 3.538 20 0 HHADMP C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@H]3CCC[N@@H+](C)[C@H]3c3cccs3)C2)CC1 ZINC000535935037 1007963642 /nfs/dbraw/zinc/96/36/42/1007963642.db2.gz GPPXWEFGOPPFLW-SFHLNBCPSA-N 2 1 404.624 3.504 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1F ZINC000517806589 1007982971 /nfs/dbraw/zinc/98/29/71/1007982971.db2.gz QQHWTPSOOHXFMH-AOMKIAJQSA-N 2 1 401.530 3.630 20 0 HHADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)cc1 ZINC000533742282 1008068455 /nfs/dbraw/zinc/06/84/55/1008068455.db2.gz CAVLSVTVELROBP-UHFFFAOYSA-N 2 1 420.344 3.804 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000536047514 1008080153 /nfs/dbraw/zinc/08/01/53/1008080153.db2.gz JEKJEEROPHKUCO-UCFCWBNQSA-N 2 1 406.574 3.868 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000536047514 1008080160 /nfs/dbraw/zinc/08/01/60/1008080160.db2.gz JEKJEEROPHKUCO-UCFCWBNQSA-N 2 1 406.574 3.868 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC[NH+]1Cc1ccccc1 ZINC000536047514 1008080168 /nfs/dbraw/zinc/08/01/68/1008080168.db2.gz JEKJEEROPHKUCO-UCFCWBNQSA-N 2 1 406.574 3.868 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC[NH+]1Cc1ccccc1 ZINC000536047514 1008080175 /nfs/dbraw/zinc/08/01/75/1008080175.db2.gz JEKJEEROPHKUCO-UCFCWBNQSA-N 2 1 406.574 3.868 20 0 HHADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000536048774 1008080531 /nfs/dbraw/zinc/08/05/31/1008080531.db2.gz YKJPVFYUNMIUHS-PQFKCJEGSA-N 2 1 404.558 3.668 20 0 HHADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000536048774 1008080537 /nfs/dbraw/zinc/08/05/37/1008080537.db2.gz YKJPVFYUNMIUHS-PQFKCJEGSA-N 2 1 404.558 3.668 20 0 HHADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000536048774 1008080544 /nfs/dbraw/zinc/08/05/44/1008080544.db2.gz YKJPVFYUNMIUHS-PQFKCJEGSA-N 2 1 404.558 3.668 20 0 HHADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000536048774 1008080551 /nfs/dbraw/zinc/08/05/51/1008080551.db2.gz YKJPVFYUNMIUHS-PQFKCJEGSA-N 2 1 404.558 3.668 20 0 HHADMP COc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000539820840 1008114943 /nfs/dbraw/zinc/11/49/43/1008114943.db2.gz TZNHTWLVBMIBGW-XUZZJYLKSA-N 2 1 423.601 3.732 20 0 HHADMP COc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000539820840 1008114949 /nfs/dbraw/zinc/11/49/49/1008114949.db2.gz TZNHTWLVBMIBGW-XUZZJYLKSA-N 2 1 423.601 3.732 20 0 HHADMP COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1OCCC(C)C ZINC000539823185 1008117173 /nfs/dbraw/zinc/11/71/73/1008117173.db2.gz UCSDVHLHPLMUBZ-IRLDBZIGSA-N 2 1 403.611 3.578 20 0 HHADMP COc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1OCCC(C)C ZINC000539823185 1008117176 /nfs/dbraw/zinc/11/71/76/1008117176.db2.gz UCSDVHLHPLMUBZ-IRLDBZIGSA-N 2 1 403.611 3.578 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000533850260 1008155975 /nfs/dbraw/zinc/15/59/75/1008155975.db2.gz SXHZDDNMKHYELS-DNVFCKCGSA-N 2 1 406.574 3.629 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000533850260 1008155980 /nfs/dbraw/zinc/15/59/80/1008155980.db2.gz SXHZDDNMKHYELS-DNVFCKCGSA-N 2 1 406.574 3.629 20 0 HHADMP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1OCc1ccccc1 ZINC000539893863 1008169047 /nfs/dbraw/zinc/16/90/47/1008169047.db2.gz AQVGFWWBZVZKKV-CQOQZXRMSA-N 2 1 410.558 3.958 20 0 HHADMP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1OCc1ccccc1 ZINC000539893863 1008169052 /nfs/dbraw/zinc/16/90/52/1008169052.db2.gz AQVGFWWBZVZKKV-CQOQZXRMSA-N 2 1 410.558 3.958 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540013139 1008236543 /nfs/dbraw/zinc/23/65/43/1008236543.db2.gz FIJAHTMPBWBXMQ-OAQYLSRUSA-N 2 1 415.626 3.984 20 0 HHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1)CC1CC1 ZINC000540016188 1008239333 /nfs/dbraw/zinc/23/93/33/1008239333.db2.gz QEXMLIXLBRLXGI-OAQYLSRUSA-N 2 1 406.640 3.894 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000518403938 1008291051 /nfs/dbraw/zinc/29/10/51/1008291051.db2.gz ZOLRYPWHXBENQY-HUVFLSCGSA-N 2 1 406.574 3.786 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000518403938 1008291055 /nfs/dbraw/zinc/29/10/55/1008291055.db2.gz ZOLRYPWHXBENQY-HUVFLSCGSA-N 2 1 406.574 3.786 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000518403938 1008291058 /nfs/dbraw/zinc/29/10/58/1008291058.db2.gz ZOLRYPWHXBENQY-HUVFLSCGSA-N 2 1 406.574 3.786 20 0 HHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CC(=O)N(C)[C@@H]3c3ccc(F)c(F)c3)CC2)C1 ZINC000540141855 1008309051 /nfs/dbraw/zinc/30/90/51/1008309051.db2.gz VARMALGSQVPGGL-AGWQHXNASA-N 2 1 405.533 3.869 20 0 HHADMP Cc1cc(N2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c2cc(F)ccc2[nH+]1 ZINC000540206709 1008335739 /nfs/dbraw/zinc/33/57/39/1008335739.db2.gz YFVOZSLGHBDXRA-ROUUACIJSA-N 2 1 401.526 3.777 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1)CC(C)C ZINC000518525198 1008337958 /nfs/dbraw/zinc/33/79/58/1008337958.db2.gz LPLXVNBGTRVIOE-IBGZPJMESA-N 2 1 403.546 3.876 20 0 HHADMP COc1ccc([C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C2CC2)cc1 ZINC000540301486 1008372584 /nfs/dbraw/zinc/37/25/84/1008372584.db2.gz ZTIGUNRSIQFLEE-UPVQGACJSA-N 2 1 407.558 3.633 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCC2([NH+]3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000518718781 1008402609 /nfs/dbraw/zinc/40/26/09/1008402609.db2.gz IBOCWAXANJVHQY-UHFFFAOYSA-N 2 1 422.658 3.562 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000518718781 1008402615 /nfs/dbraw/zinc/40/26/15/1008402615.db2.gz IBOCWAXANJVHQY-UHFFFAOYSA-N 2 1 422.658 3.562 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000518718781 1008402619 /nfs/dbraw/zinc/40/26/19/1008402619.db2.gz IBOCWAXANJVHQY-UHFFFAOYSA-N 2 1 422.658 3.562 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)c3ccccc3Br)CC2)CC1 ZINC000518747568 1008412421 /nfs/dbraw/zinc/41/24/21/1008412421.db2.gz KCRZUUYEYWYNKO-KRWDZBQOSA-N 2 1 422.411 3.776 20 0 HHADMP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000518835807 1008439566 /nfs/dbraw/zinc/43/95/66/1008439566.db2.gz NCRBPJNONLGJGW-HBMCJLEFSA-N 2 1 404.986 3.621 20 0 HHADMP O=C(NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000518835807 1008439569 /nfs/dbraw/zinc/43/95/69/1008439569.db2.gz NCRBPJNONLGJGW-HBMCJLEFSA-N 2 1 404.986 3.621 20 0 HHADMP O=C(NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000518835807 1008439572 /nfs/dbraw/zinc/43/95/72/1008439572.db2.gz NCRBPJNONLGJGW-HBMCJLEFSA-N 2 1 404.986 3.621 20 0 HHADMP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000519077389 1008521270 /nfs/dbraw/zinc/52/12/70/1008521270.db2.gz BXYGQHNDHNJHOH-KRWDZBQOSA-N 2 1 414.516 3.653 20 0 HHADMP Cc1ccc(CNC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(-c2cnn(C)c2)c1 ZINC000548981770 1008559972 /nfs/dbraw/zinc/55/99/72/1008559972.db2.gz BIWYPHMXRVIDNX-DEOSSOPVSA-N 2 1 404.558 3.776 20 0 HHADMP Cc1ccc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(-c2cnn(C)c2)c1 ZINC000548981770 1008559980 /nfs/dbraw/zinc/55/99/80/1008559980.db2.gz BIWYPHMXRVIDNX-DEOSSOPVSA-N 2 1 404.558 3.776 20 0 HHADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000543020927 1008599212 /nfs/dbraw/zinc/59/92/12/1008599212.db2.gz JXACVNGTPYVCHL-QHCPKHFHSA-N 2 1 400.611 3.654 20 0 HHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000549165707 1008738471 /nfs/dbraw/zinc/73/84/71/1008738471.db2.gz NDEZSROHKNLTCS-SIKLNZKXSA-N 2 1 402.966 3.970 20 0 HHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000549165707 1008738484 /nfs/dbraw/zinc/73/84/84/1008738484.db2.gz NDEZSROHKNLTCS-SIKLNZKXSA-N 2 1 402.966 3.970 20 0 HHADMP COc1ccc([C@@H](C)[N@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000549168520 1008741244 /nfs/dbraw/zinc/74/12/44/1008741244.db2.gz NZWXSHJWHDRZCW-HXUWFJFHSA-N 2 1 409.574 3.777 20 0 HHADMP COc1ccc([C@@H](C)[N@@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000549168520 1008741256 /nfs/dbraw/zinc/74/12/56/1008741256.db2.gz NZWXSHJWHDRZCW-HXUWFJFHSA-N 2 1 409.574 3.777 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)[C@H](C)C1 ZINC000549204274 1008776205 /nfs/dbraw/zinc/77/62/05/1008776205.db2.gz GSJJVAWKWIXWHH-HJNYFJLDSA-N 2 1 400.611 3.659 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[C@H](C)C1 ZINC000549204274 1008776218 /nfs/dbraw/zinc/77/62/18/1008776218.db2.gz GSJJVAWKWIXWHH-HJNYFJLDSA-N 2 1 400.611 3.659 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[C@H](C)C1 ZINC000549204274 1008776226 /nfs/dbraw/zinc/77/62/26/1008776226.db2.gz GSJJVAWKWIXWHH-HJNYFJLDSA-N 2 1 400.611 3.659 20 0 HHADMP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000519501137 1008872554 /nfs/dbraw/zinc/87/25/54/1008872554.db2.gz LCYAQGBPYVCXQY-QFIPXVFZSA-N 2 1 414.981 3.688 20 0 HHADMP COCCOc1cccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000519706090 1008969599 /nfs/dbraw/zinc/96/95/99/1008969599.db2.gz KXDIQQFHILEBAQ-DEOSSOPVSA-N 2 1 424.585 3.730 20 0 HHADMP COc1cccc(OC)c1OCCCC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000519724003 1008977556 /nfs/dbraw/zinc/97/75/56/1008977556.db2.gz JTCYGAKUZHAHNU-BGYRXZFFSA-N 2 1 420.594 3.684 20 0 HHADMP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000543405214 1008998405 /nfs/dbraw/zinc/99/84/05/1008998405.db2.gz YMNYKFPOZSWZTL-RSXGOPAZSA-N 2 1 407.602 3.523 20 0 HHADMP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000543405214 1008998412 /nfs/dbraw/zinc/99/84/12/1008998412.db2.gz YMNYKFPOZSWZTL-RSXGOPAZSA-N 2 1 407.602 3.523 20 0 HHADMP C[C@H]([NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543460037 1009044859 /nfs/dbraw/zinc/04/48/59/1009044859.db2.gz GHVSZNLYWPTAIO-MPGHIAIKSA-N 2 1 401.378 3.976 20 0 HHADMP C[C@@H](NCCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000543459925 1009045638 /nfs/dbraw/zinc/04/56/38/1009045638.db2.gz GXWPTFVXFJZKIL-ZCQNZVIGSA-N 3 1 404.687 3.862 20 0 HHADMP C[C@@H](NCCC[NH2+][C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543459925 1009045651 /nfs/dbraw/zinc/04/56/51/1009045651.db2.gz GXWPTFVXFJZKIL-ZCQNZVIGSA-N 4 1 404.687 3.862 20 0 HHADMP C[C@@H](NCCC[NH2+][C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543459925 1009045668 /nfs/dbraw/zinc/04/56/68/1009045668.db2.gz GXWPTFVXFJZKIL-ZCQNZVIGSA-N 4 1 404.687 3.862 20 0 HHADMP C[C@@H]([NH2+]CCCN[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543459925 1009045694 /nfs/dbraw/zinc/04/56/94/1009045694.db2.gz GXWPTFVXFJZKIL-ZCQNZVIGSA-N 4 1 404.687 3.862 20 0 HHADMP C[C@@H]([NH2+]CCCN[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543459925 1009045705 /nfs/dbraw/zinc/04/57/05/1009045705.db2.gz GXWPTFVXFJZKIL-ZCQNZVIGSA-N 4 1 404.687 3.862 20 0 HHADMP C[C@@H]([NH2+]CCCN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000543459925 1009045717 /nfs/dbraw/zinc/04/57/17/1009045717.db2.gz GXWPTFVXFJZKIL-ZCQNZVIGSA-N 3 1 404.687 3.862 20 0 HHADMP C[C@@H]([NH2+]CCCN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000543459925 1009045732 /nfs/dbraw/zinc/04/57/32/1009045732.db2.gz GXWPTFVXFJZKIL-ZCQNZVIGSA-N 3 1 404.687 3.862 20 0 HHADMP C[C@@H]([NH2+]CCc1nc2sc3c(c2c(N)n1)CCCC3)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543461624 1009047643 /nfs/dbraw/zinc/04/76/43/1009047643.db2.gz OKPCECKVSASATC-HZPDHXFCSA-N 2 1 413.635 3.937 20 0 HHADMP C[C@H]([NH2+]CCc1nc2sc3c(c2c(N)n1)CCCC3)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543461625 1009048547 /nfs/dbraw/zinc/04/85/47/1009048547.db2.gz OKPCECKVSASATC-JKSUJKDBSA-N 2 1 413.635 3.937 20 0 HHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543461829 1009049544 /nfs/dbraw/zinc/04/95/44/1009049544.db2.gz TYQRNOFNMGTFCY-MSOLQXFVSA-N 2 1 413.562 3.909 20 0 HHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543461829 1009049549 /nfs/dbraw/zinc/04/95/49/1009049549.db2.gz TYQRNOFNMGTFCY-MSOLQXFVSA-N 2 1 413.562 3.909 20 0 HHADMP CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)c2ccccc21 ZINC000549529218 1009139795 /nfs/dbraw/zinc/13/97/95/1009139795.db2.gz JRMQVTYKQKBRRH-BJKOFHAPSA-N 2 1 408.542 3.790 20 0 HHADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000543683701 1009292459 /nfs/dbraw/zinc/29/24/59/1009292459.db2.gz CEGHVJVUQXVJBP-YWMUFLPLSA-N 2 1 424.992 3.844 20 0 HHADMP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000520149566 1009300017 /nfs/dbraw/zinc/30/00/17/1009300017.db2.gz KZBVKZPCFMXTLB-RUZDIDTESA-N 2 1 418.585 3.822 20 0 HHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(F)c(Br)c2)c2cccs2)CC1 ZINC000520190656 1009330855 /nfs/dbraw/zinc/33/08/55/1009330855.db2.gz DHSMMBPMEPLIDW-QGZVFWFLSA-N 2 1 412.372 3.728 20 0 HHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000543765820 1009336564 /nfs/dbraw/zinc/33/65/64/1009336564.db2.gz OTKCHXMBQMELGZ-VWLOTQADSA-N 2 1 417.553 3.907 20 0 HHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)C1 ZINC000520348274 1009484796 /nfs/dbraw/zinc/48/47/96/1009484796.db2.gz NWTNNLXTIZJGDY-GOSISDBHSA-N 2 1 406.640 3.680 20 0 HHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)C1 ZINC000520348274 1009484805 /nfs/dbraw/zinc/48/48/05/1009484805.db2.gz NWTNNLXTIZJGDY-GOSISDBHSA-N 2 1 406.640 3.680 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000520377902 1009514259 /nfs/dbraw/zinc/51/42/59/1009514259.db2.gz VAXDCPJHALNHQD-CWAQXLGLSA-N 2 1 406.574 3.743 20 0 HHADMP COC(=O)COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000544024226 1009623648 /nfs/dbraw/zinc/62/36/48/1009623648.db2.gz VYRLDAXQZIEWCW-RUZDIDTESA-N 2 1 408.542 3.727 20 0 HHADMP COC(=O)COc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000544024226 1009623655 /nfs/dbraw/zinc/62/36/55/1009623655.db2.gz VYRLDAXQZIEWCW-RUZDIDTESA-N 2 1 408.542 3.727 20 0 HHADMP COC(=O)COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000544024226 1009623662 /nfs/dbraw/zinc/62/36/62/1009623662.db2.gz VYRLDAXQZIEWCW-RUZDIDTESA-N 2 1 408.542 3.727 20 0 HHADMP COC(=O)COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000544024226 1009623668 /nfs/dbraw/zinc/62/36/68/1009623668.db2.gz VYRLDAXQZIEWCW-RUZDIDTESA-N 2 1 408.542 3.727 20 0 HHADMP CC[C@H](C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000550280388 1009828668 /nfs/dbraw/zinc/82/86/68/1009828668.db2.gz LLBPXIWFMJNNKX-PQNGQFLHSA-N 2 1 415.622 3.635 20 0 HHADMP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000520764672 1009833749 /nfs/dbraw/zinc/83/37/49/1009833749.db2.gz ZJUDDNFNTBCQPJ-LJQANCHMSA-N 2 1 424.564 3.536 20 0 HHADMP CC(C)CSCCCNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000550342890 1009875898 /nfs/dbraw/zinc/87/58/98/1009875898.db2.gz RVQVBKKTAOJLRN-UHFFFAOYSA-N 2 1 412.688 3.603 20 0 HHADMP CC[NH+](CC)CCOc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)cc1 ZINC000544266400 1009880304 /nfs/dbraw/zinc/88/03/04/1009880304.db2.gz QZGCLINNCATOOM-UHFFFAOYSA-N 2 1 416.591 3.883 20 0 HHADMP CC[NH+](CC)CCOc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)cc1 ZINC000544266400 1009880319 /nfs/dbraw/zinc/88/03/19/1009880319.db2.gz QZGCLINNCATOOM-UHFFFAOYSA-N 2 1 416.591 3.883 20 0 HHADMP COCCn1cc2c(n1)[C@H]([NH2+][C@@H]1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CCC2 ZINC000546936193 1009896004 /nfs/dbraw/zinc/89/60/04/1009896004.db2.gz VRDHTHSZMZVNNW-MZURWIMNSA-N 2 1 408.590 3.797 20 0 HHADMP COCCn1cc2c(n1)[C@H]([NH2+][C@@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CCC2 ZINC000546936193 1009896022 /nfs/dbraw/zinc/89/60/22/1009896022.db2.gz VRDHTHSZMZVNNW-MZURWIMNSA-N 2 1 408.590 3.797 20 0 HHADMP Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000550507554 1009987159 /nfs/dbraw/zinc/98/71/59/1009987159.db2.gz NVGYMCAWEBILMN-CYXNTTPDSA-N 2 1 417.597 3.907 20 0 HHADMP C[N@H+]1CCN(CCC[NH2+]Cc2csc(Br)c2)[C@H](c2ccccc2)C1 ZINC000520951084 1010001557 /nfs/dbraw/zinc/00/15/57/1010001557.db2.gz ONVYDJDRMVMEKV-SFHVURJKSA-N 2 1 408.409 3.979 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544424320 1010046699 /nfs/dbraw/zinc/04/66/99/1010046699.db2.gz JTXWEHMBPYRQRB-QYZOEREBSA-N 2 1 422.013 3.808 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544424320 1010046712 /nfs/dbraw/zinc/04/67/12/1010046712.db2.gz JTXWEHMBPYRQRB-QYZOEREBSA-N 2 1 422.013 3.808 20 0 HHADMP C[C@H]1CCC[N@@H+](CCNC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000521067531 1010085470 /nfs/dbraw/zinc/08/54/70/1010085470.db2.gz XZPJCZGQZXTZOW-KRWDZBQOSA-N 2 1 414.516 3.511 20 0 HHADMP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000544488231 1010112241 /nfs/dbraw/zinc/11/22/41/1010112241.db2.gz AZABDBWGDJLCQL-OAQYLSRUSA-N 2 1 414.638 3.795 20 0 HHADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)CC3 ZINC000547310617 1010248737 /nfs/dbraw/zinc/24/87/37/1010248737.db2.gz XZMBMDDNBPBAMB-UZUQRXQVSA-N 2 1 424.614 3.674 20 0 HHADMP c1ccc(C[NH+]2CCN(Cc3nc(-c4cccc(C[NH+]5CCCC5)c4)no3)CC2)cc1 ZINC000544676113 1010291679 /nfs/dbraw/zinc/29/16/79/1010291679.db2.gz LIHAOVBVGCOXIA-UHFFFAOYSA-N 2 1 417.557 3.650 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000551006384 1010311915 /nfs/dbraw/zinc/31/19/15/1010311915.db2.gz SKOYLVAHHFCDKP-KUWBRRTOSA-N 2 1 407.558 3.830 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000551006384 1010311928 /nfs/dbraw/zinc/31/19/28/1010311928.db2.gz SKOYLVAHHFCDKP-KUWBRRTOSA-N 2 1 407.558 3.830 20 0 HHADMP CC[C@H]1CN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000544790908 1010386358 /nfs/dbraw/zinc/38/63/58/1010386358.db2.gz MSNCWQHBQXUXPK-QFIPXVFZSA-N 2 1 410.562 3.755 20 0 HHADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000551267114 1010483865 /nfs/dbraw/zinc/48/38/65/1010483865.db2.gz LFHONFHOWSXCCL-XTWGIRIWSA-N 2 1 415.603 3.689 20 0 HHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000521770408 1010605105 /nfs/dbraw/zinc/60/51/05/1010605105.db2.gz CPPASIHKLUSUIY-PKTZIBPZSA-N 2 1 400.611 3.505 20 0 HHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000521770408 1010605114 /nfs/dbraw/zinc/60/51/14/1010605114.db2.gz CPPASIHKLUSUIY-PKTZIBPZSA-N 2 1 400.611 3.505 20 0 HHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000521770408 1010605121 /nfs/dbraw/zinc/60/51/21/1010605121.db2.gz CPPASIHKLUSUIY-PKTZIBPZSA-N 2 1 400.611 3.505 20 0 HHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000522048952 1010778398 /nfs/dbraw/zinc/77/83/98/1010778398.db2.gz HSRBPTIWPJAPJF-GGAORHGYSA-N 2 1 414.638 3.751 20 0 HHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000522048952 1010778408 /nfs/dbraw/zinc/77/84/08/1010778408.db2.gz HSRBPTIWPJAPJF-GGAORHGYSA-N 2 1 414.638 3.751 20 0 HHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000522048952 1010778412 /nfs/dbraw/zinc/77/84/12/1010778412.db2.gz HSRBPTIWPJAPJF-GGAORHGYSA-N 2 1 414.638 3.751 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000522276246 1010900046 /nfs/dbraw/zinc/90/00/46/1010900046.db2.gz WWJAVQHXIZELPN-RUZDIDTESA-N 2 1 420.601 3.923 20 0 HHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000522287882 1010908248 /nfs/dbraw/zinc/90/82/48/1010908248.db2.gz LGCASIBYTWCTMY-RUZDIDTESA-N 2 1 422.617 3.633 20 0 HHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000522323797 1010930180 /nfs/dbraw/zinc/93/01/80/1010930180.db2.gz CPQCBBXNEBWNIQ-ZRCGQRJVSA-N 2 1 400.611 3.694 20 0 HHADMP CC(C)[NH+]1CC[C@H](CNC(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000522323797 1010930184 /nfs/dbraw/zinc/93/01/84/1010930184.db2.gz CPQCBBXNEBWNIQ-ZRCGQRJVSA-N 2 1 400.611 3.694 20 0 HHADMP CC(C)[NH+]1CC[C@H](CNC(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000522323797 1010930190 /nfs/dbraw/zinc/93/01/90/1010930190.db2.gz CPQCBBXNEBWNIQ-ZRCGQRJVSA-N 2 1 400.611 3.694 20 0 HHADMP COc1ccc([C@@H]([NH2+]CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C2CC2)cc1 ZINC000540589277 1011244838 /nfs/dbraw/zinc/24/48/38/1011244838.db2.gz UKZWCWHEAKABBD-DFBJGRDBSA-N 2 1 407.558 3.641 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000522823340 1011256858 /nfs/dbraw/zinc/25/68/58/1011256858.db2.gz NYNHWDQLFCZTFP-FQEVSTJZSA-N 2 1 400.611 3.840 20 0 HHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)cc1 ZINC000522830472 1011267049 /nfs/dbraw/zinc/26/70/49/1011267049.db2.gz WPUAUFSFDLGKCP-SQJMNOBHSA-N 2 1 420.601 3.984 20 0 HHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000522830472 1011267061 /nfs/dbraw/zinc/26/70/61/1011267061.db2.gz WPUAUFSFDLGKCP-SQJMNOBHSA-N 2 1 420.601 3.984 20 0 HHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000522830472 1011267071 /nfs/dbraw/zinc/26/70/71/1011267071.db2.gz WPUAUFSFDLGKCP-SQJMNOBHSA-N 2 1 420.601 3.984 20 0 HHADMP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000522869318 1011311534 /nfs/dbraw/zinc/31/15/34/1011311534.db2.gz OOWQKKSSNNDGEZ-VWLOTQADSA-N 2 1 420.601 3.986 20 0 HHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000522962600 1011409821 /nfs/dbraw/zinc/40/98/21/1011409821.db2.gz LGUFVWCWINZARY-GOSISDBHSA-N 2 1 402.970 3.733 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(Sc3ccccn3)cc2)CC1 ZINC000522995058 1011447710 /nfs/dbraw/zinc/44/77/10/1011447710.db2.gz DPXQPQCJDVNRAA-UHFFFAOYSA-N 2 1 405.527 3.632 20 0 HHADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000540919306 1011587189 /nfs/dbraw/zinc/58/71/89/1011587189.db2.gz VRLHYACCAGWFNP-UIFIKXQLSA-N 2 1 404.986 3.603 20 0 HHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000540921016 1011587935 /nfs/dbraw/zinc/58/79/35/1011587935.db2.gz IIZVPNVIAKHNIZ-HJNYFJLDSA-N 2 1 409.578 3.530 20 0 HHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000540921016 1011587949 /nfs/dbraw/zinc/58/79/49/1011587949.db2.gz IIZVPNVIAKHNIZ-HJNYFJLDSA-N 2 1 409.578 3.530 20 0 HHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000540991770 1011624838 /nfs/dbraw/zinc/62/48/38/1011624838.db2.gz KMKKEUCSBJFLKA-GHTZIAJQSA-N 2 1 406.448 3.929 20 0 HHADMP COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000541026864 1011662627 /nfs/dbraw/zinc/66/26/27/1011662627.db2.gz JTEJWBBRHLNADE-SJORKVTESA-N 2 1 420.513 3.954 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccsc2)nc1C ZINC000523179772 1011664812 /nfs/dbraw/zinc/66/48/12/1011664812.db2.gz JLVDLYPZQJUMHS-IBGZPJMESA-N 2 1 400.592 3.607 20 0 HHADMP O=C1[C@@H]([NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CCN1c1ccccc1F ZINC000536486725 1011699641 /nfs/dbraw/zinc/69/96/41/1011699641.db2.gz ULSXXMYZFPJKHB-QHCPKHFHSA-N 2 1 407.533 3.919 20 0 HHADMP O=C1[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCN1c1ccccc1F ZINC000536486725 1011699648 /nfs/dbraw/zinc/69/96/48/1011699648.db2.gz ULSXXMYZFPJKHB-QHCPKHFHSA-N 2 1 407.533 3.919 20 0 HHADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3c[nH]nc3-c3cccc(Cl)c3)CC2)CC1 ZINC000536709429 1011880961 /nfs/dbraw/zinc/88/09/61/1011880961.db2.gz AZJREBAJMOIVKD-UHFFFAOYSA-N 2 1 401.986 3.721 20 0 HHADMP CC[C@H](C)CN(C)c1ccc(F)cc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000536711494 1011883083 /nfs/dbraw/zinc/88/30/83/1011883083.db2.gz ZYBRHPGWOIGQQC-NZQKXSOJSA-N 2 1 404.618 3.908 20 0 HHADMP CC[C@H](C)CN(C)c1ccc(F)cc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000536711496 1011884173 /nfs/dbraw/zinc/88/41/73/1011884173.db2.gz ZYBRHPGWOIGQQC-REWPJTCUSA-N 2 1 404.618 3.908 20 0 HHADMP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536724941 1011896734 /nfs/dbraw/zinc/89/67/34/1011896734.db2.gz XIJVAYLLIATETK-XXBNENTESA-N 2 1 422.573 3.648 20 0 HHADMP COC(=O)COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000541236584 1011914240 /nfs/dbraw/zinc/91/42/40/1011914240.db2.gz RINXAIIBXPUZPT-VWNXMTODSA-N 2 1 408.542 3.725 20 0 HHADMP COC(=O)COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000541236584 1011914247 /nfs/dbraw/zinc/91/42/47/1011914247.db2.gz RINXAIIBXPUZPT-VWNXMTODSA-N 2 1 408.542 3.725 20 0 HHADMP COC(=O)COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000541236584 1011914251 /nfs/dbraw/zinc/91/42/51/1011914251.db2.gz RINXAIIBXPUZPT-VWNXMTODSA-N 2 1 408.542 3.725 20 0 HHADMP COC(=O)COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000541236584 1011914254 /nfs/dbraw/zinc/91/42/54/1011914254.db2.gz RINXAIIBXPUZPT-VWNXMTODSA-N 2 1 408.542 3.725 20 0 HHADMP CS(=O)(=O)C1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000552062345 1012081596 /nfs/dbraw/zinc/08/15/96/1012081596.db2.gz VCXBAGKTBJZJEB-TTWXDQCFSA-N 2 1 404.620 3.623 20 0 HHADMP CS(=O)(=O)C1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000552062345 1012081603 /nfs/dbraw/zinc/08/16/03/1012081603.db2.gz VCXBAGKTBJZJEB-TTWXDQCFSA-N 2 1 404.620 3.623 20 0 HHADMP O=C(C1CCC1)N(CCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CC1 ZINC000536857052 1012090307 /nfs/dbraw/zinc/09/03/07/1012090307.db2.gz JGOMTYJZSGRQBR-UHFFFAOYSA-N 2 1 401.570 3.603 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)[C@@H](C)C1 ZINC000536867109 1012104649 /nfs/dbraw/zinc/10/46/49/1012104649.db2.gz BPSWHGMSGAWXFC-LPHOPBHVSA-N 2 1 406.958 3.659 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)[C@H](C)C1 ZINC000536867111 1012105150 /nfs/dbraw/zinc/10/51/50/1012105150.db2.gz BPSWHGMSGAWXFC-VQIMIIECSA-N 2 1 406.958 3.659 20 0 HHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000552101571 1012118774 /nfs/dbraw/zinc/11/87/74/1012118774.db2.gz VRVIUDRYZOVPPA-PMACEKPBSA-N 2 1 416.516 3.594 20 0 HHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000552101571 1012118783 /nfs/dbraw/zinc/11/87/83/1012118783.db2.gz VRVIUDRYZOVPPA-PMACEKPBSA-N 2 1 416.516 3.594 20 0 HHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3cc(Cl)cc4cccnc43)CC2)C[C@H](C)O1 ZINC000536933593 1012223820 /nfs/dbraw/zinc/22/38/20/1012223820.db2.gz FNPXNMKRIUNDJU-HDICACEKSA-N 2 1 417.981 3.978 20 0 HHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3cc(Cl)cc4cccnc43)CC2)C[C@H](C)O1 ZINC000536933593 1012223835 /nfs/dbraw/zinc/22/38/35/1012223835.db2.gz FNPXNMKRIUNDJU-HDICACEKSA-N 2 1 417.981 3.978 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000536951194 1012249998 /nfs/dbraw/zinc/24/99/98/1012249998.db2.gz NXRSQNIHTSVDJY-OTWHNJEPSA-N 2 1 415.603 3.663 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000536951194 1012250013 /nfs/dbraw/zinc/25/00/13/1012250013.db2.gz NXRSQNIHTSVDJY-OTWHNJEPSA-N 2 1 415.603 3.663 20 0 HHADMP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3nc4ccc(Cl)cc4n3C)cn2)CC1 ZINC000536951637 1012250296 /nfs/dbraw/zinc/25/02/96/1012250296.db2.gz SUVHKSXWORAIAP-MRXNPFEDSA-N 2 1 412.969 3.614 20 0 HHADMP CCCC[N@H+](C)CC1CCN(C(=O)C2CC[NH+](Cc3csc(C)n3)CC2)CC1 ZINC000523660982 1012255298 /nfs/dbraw/zinc/25/52/98/1012255298.db2.gz OAJAQDGEDGBJSB-UHFFFAOYSA-N 2 1 406.640 3.634 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)C2CC[NH+](Cc3csc(C)n3)CC2)CC1 ZINC000523660982 1012255313 /nfs/dbraw/zinc/25/53/13/1012255313.db2.gz OAJAQDGEDGBJSB-UHFFFAOYSA-N 2 1 406.640 3.634 20 0 HHADMP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537024860 1012332304 /nfs/dbraw/zinc/33/23/04/1012332304.db2.gz BVBJXQYOUKGGML-TUNNFDKTSA-N 2 1 409.574 3.904 20 0 HHADMP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537024860 1012332313 /nfs/dbraw/zinc/33/23/13/1012332313.db2.gz BVBJXQYOUKGGML-TUNNFDKTSA-N 2 1 409.574 3.904 20 0 HHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](c3cccs3)C3CC3)CC2)cc1 ZINC000541580036 1012370763 /nfs/dbraw/zinc/37/07/63/1012370763.db2.gz OLCXNMOQQCJPHN-QHCPKHFHSA-N 2 1 413.587 3.532 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](c3cccs3)C3CC3)CC2)cc1 ZINC000541580036 1012370775 /nfs/dbraw/zinc/37/07/75/1012370775.db2.gz OLCXNMOQQCJPHN-QHCPKHFHSA-N 2 1 413.587 3.532 20 0 HHADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000552365593 1012375047 /nfs/dbraw/zinc/37/50/47/1012375047.db2.gz JXMKCBCKCLRFQL-BAGYTPMASA-N 2 1 417.544 3.619 20 0 HHADMP O=C([C@@H]1C[NH+](Cc2ccccc2)CCC1(F)F)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000552365593 1012375060 /nfs/dbraw/zinc/37/50/60/1012375060.db2.gz JXMKCBCKCLRFQL-BAGYTPMASA-N 2 1 417.544 3.619 20 0 HHADMP O=C([C@@H]1C[NH+](Cc2ccccc2)CCC1(F)F)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000552365593 1012375074 /nfs/dbraw/zinc/37/50/74/1012375074.db2.gz JXMKCBCKCLRFQL-BAGYTPMASA-N 2 1 417.544 3.619 20 0 HHADMP CCC(CC)[C@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000541585580 1012376314 /nfs/dbraw/zinc/37/63/14/1012376314.db2.gz JMEVJTUYOHUSRD-QHCPKHFHSA-N 2 1 415.622 3.542 20 0 HHADMP CC(C)c1ccc(OCCNC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000541600284 1012395488 /nfs/dbraw/zinc/39/54/88/1012395488.db2.gz AZAUJVGXOSFHEH-CTNGQTDRSA-N 2 1 401.595 3.548 20 0 HHADMP CC(C)c1ccc(OCCNC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000541600284 1012395503 /nfs/dbraw/zinc/39/55/03/1012395503.db2.gz AZAUJVGXOSFHEH-CTNGQTDRSA-N 2 1 401.595 3.548 20 0 HHADMP C[NH+]1CCC(Oc2ccc(CNC(=O)[C@H]3CCCC[N@H+]3Cc3ccccc3)cc2)CC1 ZINC000552434300 1012454364 /nfs/dbraw/zinc/45/43/64/1012454364.db2.gz IOPBZVKEVFELOG-RUZDIDTESA-N 2 1 421.585 3.831 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000552437818 1012457178 /nfs/dbraw/zinc/45/71/78/1012457178.db2.gz WEJOBTDAWSVVEA-NRFANRHFSA-N 2 1 408.546 3.541 20 0 HHADMP COc1cccc(F)c1[C@@H](C)[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000537155109 1012550405 /nfs/dbraw/zinc/55/04/05/1012550405.db2.gz VZJMRNRCHYWSOD-MSOLQXFVSA-N 2 1 413.537 3.654 20 0 HHADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000523856572 1012552518 /nfs/dbraw/zinc/55/25/18/1012552518.db2.gz VFGQAQGVVUSBPY-RUZDIDTESA-N 2 1 407.602 3.895 20 0 HHADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000523856572 1012552527 /nfs/dbraw/zinc/55/25/27/1012552527.db2.gz VFGQAQGVVUSBPY-RUZDIDTESA-N 2 1 407.602 3.895 20 0 HHADMP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000541743324 1012600252 /nfs/dbraw/zinc/60/02/52/1012600252.db2.gz HPOQQGSJPZJKHR-IRMYBRCSSA-N 2 1 422.635 3.559 20 0 HHADMP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000541743324 1012600259 /nfs/dbraw/zinc/60/02/59/1012600259.db2.gz HPOQQGSJPZJKHR-IRMYBRCSSA-N 2 1 422.635 3.559 20 0 HHADMP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(F)cc(Br)c1 ZINC000537293387 1012752340 /nfs/dbraw/zinc/75/23/40/1012752340.db2.gz QECHETUXIGUJNH-LJQANCHMSA-N 2 1 400.380 3.903 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000541889036 1012756421 /nfs/dbraw/zinc/75/64/21/1012756421.db2.gz KTHFGKJKZJJUGZ-VNRZQXBUSA-N 2 1 407.602 3.776 20 0 HHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000524027096 1012774711 /nfs/dbraw/zinc/77/47/11/1012774711.db2.gz BMTVQUVELAPSGV-UHFFFAOYSA-N 2 1 424.589 3.799 20 0 HHADMP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)ccc1OC(F)F ZINC000541919152 1012779542 /nfs/dbraw/zinc/77/95/42/1012779542.db2.gz UKXIEJQYSJCWLI-KXBFYZLASA-N 2 1 406.473 3.714 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCCc2cccc3cccnc32)cc1 ZINC000541954916 1012817768 /nfs/dbraw/zinc/81/77/68/1012817768.db2.gz AOPOPFBPCXHYGJ-SFHVURJKSA-N 2 1 413.525 3.738 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1)Cc1ccccc1 ZINC000541985057 1012860378 /nfs/dbraw/zinc/86/03/78/1012860378.db2.gz VUAXFXAEEMVMCC-HSZRJFAPSA-N 2 1 419.613 3.752 20 0 HHADMP CC[NH+]1CCN(Cc2ccc(N[C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cc2)CC1 ZINC000537397187 1012880580 /nfs/dbraw/zinc/88/05/80/1012880580.db2.gz RMMJHWSQNKLQDJ-OFVILXPXSA-N 2 1 407.606 3.542 20 0 HHADMP CCN1CC[NH+](Cc2ccc(N[C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cc2)CC1 ZINC000537397187 1012880596 /nfs/dbraw/zinc/88/05/96/1012880596.db2.gz RMMJHWSQNKLQDJ-OFVILXPXSA-N 2 1 407.606 3.542 20 0 HHADMP CCN1CC[NH+](Cc2ccc(N[C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cc2)CC1 ZINC000537397187 1012880614 /nfs/dbraw/zinc/88/06/14/1012880614.db2.gz RMMJHWSQNKLQDJ-OFVILXPXSA-N 2 1 407.606 3.542 20 0 HHADMP CCCn1c2ccccc2nc1C[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000524114645 1012890769 /nfs/dbraw/zinc/89/07/69/1012890769.db2.gz HUDDVLSIMVZYDV-XMMPIXPASA-N 2 1 405.590 3.915 20 0 HHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccc4cc(OC)ccc4c3)CC2)CC1 ZINC000552906189 1012906492 /nfs/dbraw/zinc/90/64/92/1012906492.db2.gz QMMSCFWAIIMOGJ-UHFFFAOYSA-N 2 1 409.574 3.661 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC[N@@H+](C)[C@H]3c3ccccc3)cc2F)CC1 ZINC001648988551 1071812808 /nfs/dbraw/zinc/81/28/08/1071812808.db2.gz VKJQINRUMXEBDS-REWPJTCUSA-N 2 1 410.537 3.599 20 0 HHADMP COc1ccc2c(c1)C[C@@H]([NH+]1CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC1)C2 ZINC001168272056 1072058775 /nfs/dbraw/zinc/05/87/75/1072058775.db2.gz KBHSHFOUPLSSLC-ZEQRLZLVSA-N 2 1 406.570 3.918 20 0 HHADMP C[N@@H+](Cc1ccccc1CNC(=S)NCC1CC[NH+](C)CC1)C1CCCCC1 ZINC000760478552 1072386935 /nfs/dbraw/zinc/38/69/35/1072386935.db2.gz MIEPKYPTNJVLBB-UHFFFAOYSA-N 2 1 402.652 3.757 20 0 HHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(-n4ccnc4)c(Cl)c3)CC2)CC1 ZINC001625994103 1072477186 /nfs/dbraw/zinc/47/71/86/1072477186.db2.gz QMBLMRWINISKNR-UHFFFAOYSA-N 2 1 415.969 3.661 20 0 HHADMP CC(C)CCN1[C@]2(CC[N@H+](C3CCC([NH+](C)C)CC3)C2)c2ccccc2S1(=O)=O ZINC001168318896 1072497026 /nfs/dbraw/zinc/49/70/26/1072497026.db2.gz HVSPOIPTKKWUFK-XPJNUEMQSA-N 2 1 419.635 3.511 20 0 HHADMP CC[NH+]1CCC(CNC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000587018650 1072509270 /nfs/dbraw/zinc/50/92/70/1072509270.db2.gz NKUQNCGMTFXZBZ-UHFFFAOYSA-N 2 1 420.601 3.835 20 0 HHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)CC2)n[nH]1 ZINC000571574766 1072661292 /nfs/dbraw/zinc/66/12/92/1072661292.db2.gz CIQJEUIEXKDYKC-OEMFJLHTSA-N 2 1 407.606 3.967 20 0 HHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(Br)cc(Br)c1N ZINC000571807001 1072859611 /nfs/dbraw/zinc/85/96/11/1072859611.db2.gz UNDIMZGPUYLOMS-UHFFFAOYSA-N 2 1 416.161 3.821 20 0 HHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(Br)cc(Br)c1N ZINC000571807001 1072859596 /nfs/dbraw/zinc/85/95/96/1072859596.db2.gz UNDIMZGPUYLOMS-UHFFFAOYSA-N 2 1 416.161 3.821 20 0 HHADMP CC(=O)c1ccc(OC[C@H](O)C[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)cc1 ZINC000554871899 1072917245 /nfs/dbraw/zinc/91/72/45/1072917245.db2.gz ZWCCQZAJIQJWGD-OHUGHZGNSA-N 2 1 424.585 3.897 20 0 HHADMP CC1CCN(CC[N@H+]2CCCC3(CCCN(CC[NH+]4CCC(C)CC4)C3)C2)CC1 ZINC000554947397 1072979387 /nfs/dbraw/zinc/97/93/87/1072979387.db2.gz ZRJWPOLVELSFOU-UHFFFAOYSA-N 2 1 404.687 3.628 20 0 HHADMP CC1CC[NH+](CCN2CCCC3(CCCN(CC[NH+]4CCC(C)CC4)C3)C2)CC1 ZINC000554947397 1072979400 /nfs/dbraw/zinc/97/94/00/1072979400.db2.gz ZRJWPOLVELSFOU-UHFFFAOYSA-N 2 1 404.687 3.628 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)C[C@H](C)O1 ZINC000588708715 1073154959 /nfs/dbraw/zinc/15/49/59/1073154959.db2.gz CZDIXZCFNFMBOA-CALCHBBNSA-N 2 1 404.580 3.552 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000588770148 1073220964 /nfs/dbraw/zinc/22/09/64/1073220964.db2.gz NMCLBFCAIWOWTJ-JOCHJYFZSA-N 2 1 410.562 3.972 20 0 HHADMP Cc1nc(C(C)C)ccc1C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000555379793 1073389023 /nfs/dbraw/zinc/38/90/23/1073389023.db2.gz MCGIWJOACKTZFD-UHFFFAOYSA-N 2 1 422.617 3.974 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC=C(c3ccc(O)cc3)CC2)CC1 ZINC000555404261 1073427741 /nfs/dbraw/zinc/42/77/41/1073427741.db2.gz DHJPIXVURJCRKH-UHFFFAOYSA-N 2 1 419.569 3.571 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)CC1 ZINC000555404261 1073427743 /nfs/dbraw/zinc/42/77/43/1073427743.db2.gz DHJPIXVURJCRKH-UHFFFAOYSA-N 2 1 419.569 3.571 20 0 HHADMP CC[N@H+](CC(=O)Nc1ccccc1Br)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999489 1073440409 /nfs/dbraw/zinc/44/04/09/1073440409.db2.gz LPANTXXUDSTENA-UHFFFAOYSA-N 2 1 404.352 3.971 20 0 HHADMP CC[N@@H+](CC(=O)Nc1ccccc1Br)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999489 1073440412 /nfs/dbraw/zinc/44/04/12/1073440412.db2.gz LPANTXXUDSTENA-UHFFFAOYSA-N 2 1 404.352 3.971 20 0 HHADMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)CC1 ZINC000590786508 1074004242 /nfs/dbraw/zinc/00/42/42/1074004242.db2.gz FKTPVCZHJIBTOI-HXUWFJFHSA-N 2 1 412.534 3.603 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)CC1 ZINC000590786508 1074004250 /nfs/dbraw/zinc/00/42/50/1074004250.db2.gz FKTPVCZHJIBTOI-HXUWFJFHSA-N 2 1 412.534 3.603 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1)C1CC1 ZINC000591465009 1074310440 /nfs/dbraw/zinc/31/04/40/1074310440.db2.gz HEPADBZETCWLAC-UHFFFAOYSA-N 2 1 421.585 3.558 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2cccc([C@@H](C)N3CCOCC3)c2)CC1 ZINC000591522929 1074363618 /nfs/dbraw/zinc/36/36/18/1074363618.db2.gz YZBRHKGQOQOVOE-LJQANCHMSA-N 2 1 402.583 3.664 20 0 HHADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1CCCCC1 ZINC000591656077 1074456043 /nfs/dbraw/zinc/45/60/43/1074456043.db2.gz HSQFEEWIFMHETD-XZOQPEGZSA-N 2 1 414.594 3.514 20 0 HHADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CCCCC1 ZINC000591656075 1074456080 /nfs/dbraw/zinc/45/60/80/1074456080.db2.gz HSQFEEWIFMHETD-GOTSBHOMSA-N 2 1 414.594 3.514 20 0 HHADMP C[C@H]([NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574096181 1075166610 /nfs/dbraw/zinc/16/66/10/1075166610.db2.gz MTFDLWIHFZTFCW-HYLPIGKTSA-N 2 1 421.585 3.523 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000574101981 1075167348 /nfs/dbraw/zinc/16/73/48/1075167348.db2.gz RWKHMKCEABRFFP-AAVWJAMMSA-N 2 1 408.586 3.942 20 0 HHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000574486380 1075255323 /nfs/dbraw/zinc/25/53/23/1075255323.db2.gz CENVCLIDYYPWND-UHFFFAOYSA-N 2 1 417.601 3.917 20 0 HHADMP CC1CC[NH+](CCc2cccc(NC(=O)NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)CC1 ZINC000575031420 1075447175 /nfs/dbraw/zinc/44/71/75/1075447175.db2.gz XOBRETWTROQNFA-OYRHEFFESA-N 2 1 416.610 3.582 20 0 HHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000595637219 1075494905 /nfs/dbraw/zinc/49/49/05/1075494905.db2.gz UPAJVEWQALGEMU-HSZRJFAPSA-N 2 1 400.611 3.647 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCC2([NH+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000595792725 1075510375 /nfs/dbraw/zinc/51/03/75/1075510375.db2.gz CYBMPBHLJHBVID-NRFANRHFSA-N 2 1 422.658 3.611 20 0 HHADMP C[C@H]1CCC[NH+](CCCCNC(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000595792725 1075510378 /nfs/dbraw/zinc/51/03/78/1075510378.db2.gz CYBMPBHLJHBVID-NRFANRHFSA-N 2 1 422.658 3.611 20 0 HHADMP C[C@H]1CCC[NH+](CCCCNC(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000595792725 1075510379 /nfs/dbraw/zinc/51/03/79/1075510379.db2.gz CYBMPBHLJHBVID-NRFANRHFSA-N 2 1 422.658 3.611 20 0 HHADMP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1C[N@H+](C(C)(C)c1ccnc(Cl)c1)C2 ZINC001164619704 719011809 /nfs/dbraw/zinc/01/18/09/719011809.db2.gz WVAPIRVRPSVBTR-VGSWGCGISA-N 2 1 405.970 3.615 20 0 HHADMP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3c2ccc(OCC3CC[NH2+]CC3)cn2)cc1 ZINC001164621619 719112007 /nfs/dbraw/zinc/11/20/07/719112007.db2.gz AIGUNJJEMLFYBB-UPVQGACJSA-N 2 1 406.574 3.561 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2ccnc(Cl)c2Cl)c2c1CC[NH2+]C2 ZINC001164684035 719606847 /nfs/dbraw/zinc/60/68/47/719606847.db2.gz MAYJFXBGQWNZPE-UHFFFAOYSA-N 2 1 404.292 3.668 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2ccnc(Cl)c2Cl)c2c1CC[NH2+]C2 ZINC001164684035 719606854 /nfs/dbraw/zinc/60/68/54/719606854.db2.gz MAYJFXBGQWNZPE-UHFFFAOYSA-N 2 1 404.292 3.668 20 0 HHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]c(C)cc3[nH]ccc31)CC2 ZINC001164714243 720123217 /nfs/dbraw/zinc/12/32/17/720123217.db2.gz BCGRFGYLELJLSL-FQEVSTJZSA-N 2 1 405.546 3.774 20 0 HHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164815523 720127662 /nfs/dbraw/zinc/12/76/62/720127662.db2.gz WGJNKQJMLWIAKY-OFNKIYASSA-N 2 1 419.013 3.516 20 0 HHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164815523 720127672 /nfs/dbraw/zinc/12/76/72/720127672.db2.gz WGJNKQJMLWIAKY-OFNKIYASSA-N 2 1 419.013 3.516 20 0 HHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(OC(C)C)cc[nH+]1)CC2 ZINC001164784930 721461520 /nfs/dbraw/zinc/46/15/20/721461520.db2.gz KVBICUUDTRLLMS-NRFANRHFSA-N 2 1 417.594 3.603 20 0 HHADMP Cc1cc(N2CCCC2)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]1 ZINC001165023329 721798044 /nfs/dbraw/zinc/79/80/44/721798044.db2.gz JMVKOGLXRJVCGQ-ILWGZMRPSA-N 2 1 406.578 3.517 20 0 HHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]21 ZINC001165027854 721823235 /nfs/dbraw/zinc/82/32/35/721823235.db2.gz UEPFLCHHEOWQHO-QPTUXGOLSA-N 2 1 405.590 3.809 20 0 HHADMP CCOC(=O)c1c[nH]c2cc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)[nH+]cc21 ZINC001164956134 722021268 /nfs/dbraw/zinc/02/12/68/722021268.db2.gz XBPQFMOUPXXGRF-UHFFFAOYSA-N 2 1 419.529 3.627 20 0 HHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@H]3CCCO[C@@H]32)nc1 ZINC001164961934 722051084 /nfs/dbraw/zinc/05/10/84/722051084.db2.gz ZDRHVYSMROUJSD-XAISMOLKSA-N 2 1 421.589 3.929 20 0 HHADMP CCOc1cc2[nH+]ccc(N3CCN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)c2cc1OCC ZINC000301824671 971077045 /nfs/dbraw/zinc/07/70/45/971077045.db2.gz IIEALBLXGVDOQD-YOFSQIOKSA-N 2 1 424.589 3.779 20 0 HHADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000303108493 971508305 /nfs/dbraw/zinc/50/83/05/971508305.db2.gz JUJMRWNNUAXHES-OAQYLSRUSA-N 2 1 411.512 3.820 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000303149339 971528851 /nfs/dbraw/zinc/52/88/51/971528851.db2.gz MKHHTMMZFCYHEK-FCHUYYIVSA-N 2 1 424.614 3.727 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000303149339 971528855 /nfs/dbraw/zinc/52/88/55/971528855.db2.gz MKHHTMMZFCYHEK-FCHUYYIVSA-N 2 1 424.614 3.727 20 0 HHADMP c1cc([C@@H]2CCC[NH+](Cc3cccc(C[N@H+]4CCC[C@H](c5cc[nH]n5)C4)c3)C2)n[nH]1 ZINC000303219690 971566703 /nfs/dbraw/zinc/56/67/03/971566703.db2.gz RKRSXOUGVWGPHL-SZPZYZBQSA-N 2 1 404.562 3.892 20 0 HHADMP c1cc([C@@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCC[C@H](c5cc[nH]n5)C4)c3)C2)n[nH]1 ZINC000303219690 971566708 /nfs/dbraw/zinc/56/67/08/971566708.db2.gz RKRSXOUGVWGPHL-SZPZYZBQSA-N 2 1 404.562 3.892 20 0 HHADMP c1cc([C@@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCC[C@H](c5cc[nH]n5)C4)c3)C2)n[nH]1 ZINC000303219690 971566716 /nfs/dbraw/zinc/56/67/16/971566716.db2.gz RKRSXOUGVWGPHL-SZPZYZBQSA-N 2 1 404.562 3.892 20 0 HHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000303338250 971640650 /nfs/dbraw/zinc/64/06/50/971640650.db2.gz DZBULENRJBTKLF-INIZCTEOSA-N 2 1 413.484 3.522 20 0 HHADMP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+](C)Cc1ccccc1 ZINC000303488679 971787275 /nfs/dbraw/zinc/78/72/75/971787275.db2.gz RRYOFSCGLHYOMC-CTNGQTDRSA-N 2 1 414.619 3.780 20 0 HHADMP C[C@H](CNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[N@H+](C)Cc1ccccc1 ZINC000303488679 971787279 /nfs/dbraw/zinc/78/72/79/971787279.db2.gz RRYOFSCGLHYOMC-CTNGQTDRSA-N 2 1 414.619 3.780 20 0 HHADMP C[C@H](CNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[N@@H+](C)Cc1ccccc1 ZINC000303488679 971787284 /nfs/dbraw/zinc/78/72/84/971787284.db2.gz RRYOFSCGLHYOMC-CTNGQTDRSA-N 2 1 414.619 3.780 20 0 HHADMP C[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+](C)Cc1ccccc1 ZINC000303488681 971787390 /nfs/dbraw/zinc/78/73/90/971787390.db2.gz RRYOFSCGLHYOMC-PZJWPPBQSA-N 2 1 414.619 3.780 20 0 HHADMP C[C@@H](CNC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)[N@H+](C)Cc1ccccc1 ZINC000303488681 971787393 /nfs/dbraw/zinc/78/73/93/971787393.db2.gz RRYOFSCGLHYOMC-PZJWPPBQSA-N 2 1 414.619 3.780 20 0 HHADMP C[C@@H](CNC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)[N@@H+](C)Cc1ccccc1 ZINC000303488681 971787396 /nfs/dbraw/zinc/78/73/96/971787396.db2.gz RRYOFSCGLHYOMC-PZJWPPBQSA-N 2 1 414.619 3.780 20 0 HHADMP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537843676 1013406879 /nfs/dbraw/zinc/40/68/79/1013406879.db2.gz SNSMOTRRWAKRJJ-LJQANCHMSA-N 2 1 412.553 3.506 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000537843390 1013405337 /nfs/dbraw/zinc/40/53/37/1013405337.db2.gz PRJGTRJNMMRSEK-OAQYLSRUSA-N 2 1 403.954 3.713 20 0 HHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](c3ccc(F)cc3)c3cnccn3)CC2)oc1C ZINC000542474793 1013421829 /nfs/dbraw/zinc/42/18/29/1013421829.db2.gz NPNATNMPRNGMDF-QHCPKHFHSA-N 2 1 409.509 3.812 20 0 HHADMP COc1c(C)cnc(CN2CCC([N@@H+](C)C[C@H](O)CCc3ccccc3)CC2)c1C ZINC000542510056 1013453950 /nfs/dbraw/zinc/45/39/50/1013453950.db2.gz IGYCETNERBBKOX-HSZRJFAPSA-N 2 1 411.590 3.597 20 0 HHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C[C@H](O)CCc3ccccc3)CC2)c1C ZINC000542510056 1013453957 /nfs/dbraw/zinc/45/39/57/1013453957.db2.gz IGYCETNERBBKOX-HSZRJFAPSA-N 2 1 411.590 3.597 20 0 HHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C[C@H](O)CCc3ccccc3)CC2)c1C ZINC000542510056 1013453965 /nfs/dbraw/zinc/45/39/65/1013453965.db2.gz IGYCETNERBBKOX-HSZRJFAPSA-N 2 1 411.590 3.597 20 0 HHADMP C[C@H]1C[NH+](Cc2ccc(C(=O)NCc3ccccc3C[NH+]3CCCC3)cc2)C[C@H](C)O1 ZINC000025073339 964165091 /nfs/dbraw/zinc/16/50/91/964165091.db2.gz SYICOCABLPOGAV-SFTDATJTSA-N 2 1 421.585 3.822 20 0 HHADMP C[C@H]([NH2+]CC(=O)N(Cc1ccccc1)CC(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542534443 1013478883 /nfs/dbraw/zinc/47/88/83/1013478883.db2.gz ZXNRDLASFZPDMX-PKOBYXMFSA-N 2 1 411.512 3.820 20 0 HHADMP C[C@H]([NH2+]CC(=O)N(Cc1ccccc1)CC(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542534443 1013478890 /nfs/dbraw/zinc/47/88/90/1013478890.db2.gz ZXNRDLASFZPDMX-PKOBYXMFSA-N 2 1 411.512 3.820 20 0 HHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccccc2OCc2ccccn2)c2cccs2)CC1 ZINC000025311217 964239258 /nfs/dbraw/zinc/23/92/58/964239258.db2.gz MMZJIMDCXLQBGZ-JOCHJYFZSA-N 2 1 422.598 3.800 20 0 HHADMP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)[C@H](c2ccccc2)C1 ZINC000050137119 964275108 /nfs/dbraw/zinc/27/51/08/964275108.db2.gz TZSUPYLNAXBTAV-UGKGYDQZSA-N 2 1 412.603 3.658 20 0 HHADMP C[N@H+]1CCN(C(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)[C@H](c2ccccc2)C1 ZINC000050137119 964275117 /nfs/dbraw/zinc/27/51/17/964275117.db2.gz TZSUPYLNAXBTAV-UGKGYDQZSA-N 2 1 412.603 3.658 20 0 HHADMP C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@H](c2ccccc2)C1 ZINC000050137119 964275127 /nfs/dbraw/zinc/27/51/27/964275127.db2.gz TZSUPYLNAXBTAV-UGKGYDQZSA-N 2 1 412.603 3.658 20 0 HHADMP C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[C@H](c2ccccc2)C1 ZINC000050137119 964275136 /nfs/dbraw/zinc/27/51/36/964275136.db2.gz TZSUPYLNAXBTAV-UGKGYDQZSA-N 2 1 412.603 3.658 20 0 HHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccccc2OCc2ccncc2)c2cccs2)CC1 ZINC000027217157 964822506 /nfs/dbraw/zinc/82/25/06/964822506.db2.gz OZJOHPKXXCJLKA-JOCHJYFZSA-N 2 1 422.598 3.800 20 0 HHADMP Cc1cc(NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)c2ccccc2[nH+]1 ZINC000052486261 964916607 /nfs/dbraw/zinc/91/66/07/964916607.db2.gz HWHNOTQXZOYZBJ-UHFFFAOYSA-N 2 1 404.514 3.816 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)cc2)C[C@H](C)O1 ZINC000028843816 965199477 /nfs/dbraw/zinc/19/94/77/965199477.db2.gz RDKNVXVDNQOLAV-BKSPAHHJSA-N 2 1 421.585 3.863 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)cc2)C[C@H](C)O1 ZINC000028843816 965199480 /nfs/dbraw/zinc/19/94/80/965199480.db2.gz RDKNVXVDNQOLAV-BKSPAHHJSA-N 2 1 421.585 3.863 20 0 HHADMP O=C(CCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)N1Cc2ccccc2C1 ZINC000537979153 1013555319 /nfs/dbraw/zinc/55/53/19/1013555319.db2.gz WQRAXAUEDYWIKI-UHFFFAOYSA-N 2 1 409.549 3.745 20 0 HHADMP CN(CCC[N@H+](C)Cc1ccco1)C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000553703133 1013558344 /nfs/dbraw/zinc/55/83/44/1013558344.db2.gz YVMUMVACJWONRO-NHCUHLMSSA-N 2 1 418.969 3.842 20 0 HHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000553703133 1013558351 /nfs/dbraw/zinc/55/83/51/1013558351.db2.gz YVMUMVACJWONRO-NHCUHLMSSA-N 2 1 418.969 3.842 20 0 HHADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000553703133 1013558356 /nfs/dbraw/zinc/55/83/56/1013558356.db2.gz YVMUMVACJWONRO-NHCUHLMSSA-N 2 1 418.969 3.842 20 0 HHADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000553703133 1013558364 /nfs/dbraw/zinc/55/83/64/1013558364.db2.gz YVMUMVACJWONRO-NHCUHLMSSA-N 2 1 418.969 3.842 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000537989278 1013563502 /nfs/dbraw/zinc/56/35/02/1013563502.db2.gz ALZXJSBTDDDEFU-BWKNWUBXSA-N 2 1 401.554 3.897 20 0 HHADMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2cc(C(C)(C)C)nn2C)CC1)CC(C)C ZINC000537994140 1013569373 /nfs/dbraw/zinc/56/93/73/1013569373.db2.gz AKHBXROPENVOPG-UHFFFAOYSA-N 2 1 405.631 3.736 20 0 HHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2cc(C(C)(C)C)nn2C)CC1)CC(C)C ZINC000537994140 1013569381 /nfs/dbraw/zinc/56/93/81/1013569381.db2.gz AKHBXROPENVOPG-UHFFFAOYSA-N 2 1 405.631 3.736 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000054718935 965621504 /nfs/dbraw/zinc/62/15/04/965621504.db2.gz UIPGEXGCRCZARZ-YKSBVNFPSA-N 2 1 406.574 3.917 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)CCC[N@@H+](C)Cc2ccco2)CC1 ZINC000553778001 1013607414 /nfs/dbraw/zinc/60/74/14/1013607414.db2.gz CRXIRUNDYRTKPD-UHFFFAOYSA-N 2 1 412.578 3.716 20 0 HHADMP Cc1cccc([C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000553796189 1013621139 /nfs/dbraw/zinc/62/11/39/1013621139.db2.gz MYDHTLNPMQQYRF-CMTIAEDTSA-N 2 1 417.597 3.765 20 0 HHADMP Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000553796189 1013621144 /nfs/dbraw/zinc/62/11/44/1013621144.db2.gz MYDHTLNPMQQYRF-CMTIAEDTSA-N 2 1 417.597 3.765 20 0 HHADMP Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000553796189 1013621149 /nfs/dbraw/zinc/62/11/49/1013621149.db2.gz MYDHTLNPMQQYRF-CMTIAEDTSA-N 2 1 417.597 3.765 20 0 HHADMP CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000060368513 966116219 /nfs/dbraw/zinc/11/62/19/966116219.db2.gz JVKFFEQAWQSNTG-KURKYZTESA-N 2 1 405.608 3.557 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCCCC1 ZINC000060549694 966200847 /nfs/dbraw/zinc/20/08/47/966200847.db2.gz XHDPAWJWYBKQRN-OAQYLSRUSA-N 2 1 416.610 3.738 20 0 HHADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000056611642 966392989 /nfs/dbraw/zinc/39/29/89/966392989.db2.gz ROUJFSLWMDTDNU-UHFFFAOYSA-N 2 1 414.619 3.658 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000056611642 966392995 /nfs/dbraw/zinc/39/29/95/966392995.db2.gz ROUJFSLWMDTDNU-UHFFFAOYSA-N 2 1 414.619 3.658 20 0 HHADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000061902166 966578421 /nfs/dbraw/zinc/57/84/21/966578421.db2.gz XAKNWLGXXLQMIV-DEOSSOPVSA-N 2 1 406.574 3.746 20 0 HHADMP COc1ccc([C@@H](C)[NH2+]CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)cc1F ZINC000538141023 1013702274 /nfs/dbraw/zinc/70/22/74/1013702274.db2.gz HFCXIZVCUBBZIU-LJQANCHMSA-N 2 1 413.537 3.528 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(N2CCCC2=O)c1 ZINC000542848723 1013707542 /nfs/dbraw/zinc/70/75/42/1013707542.db2.gz AYGYBKIWHFLYSD-YADARESESA-N 2 1 407.558 3.621 20 0 HHADMP COc1c(Br)cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1Br ZINC000044533243 967231524 /nfs/dbraw/zinc/23/15/24/967231524.db2.gz GIQVKPGWHORFGK-LLVKDONJSA-N 2 1 406.162 3.652 20 0 HHADMP COc1c(Br)cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1Br ZINC000044533243 967231529 /nfs/dbraw/zinc/23/15/29/967231529.db2.gz GIQVKPGWHORFGK-LLVKDONJSA-N 2 1 406.162 3.652 20 0 HHADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000065438546 967466190 /nfs/dbraw/zinc/46/61/90/967466190.db2.gz ZCQPNYXVNJPULG-UNMCSNQZSA-N 2 1 421.589 3.704 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000065518337 967503700 /nfs/dbraw/zinc/50/37/00/967503700.db2.gz IFLSSCHODIRPIR-GMAHTHKFSA-N 2 1 400.611 3.852 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000065518337 967503705 /nfs/dbraw/zinc/50/37/05/967503705.db2.gz IFLSSCHODIRPIR-GMAHTHKFSA-N 2 1 400.611 3.852 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000065518337 967503713 /nfs/dbraw/zinc/50/37/13/967503713.db2.gz IFLSSCHODIRPIR-GMAHTHKFSA-N 2 1 400.611 3.852 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000065522900 967506713 /nfs/dbraw/zinc/50/67/13/967506713.db2.gz ZOLRYPWHXBENQY-QDSKXPNFSA-N 2 1 406.574 3.786 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000065522900 967506722 /nfs/dbraw/zinc/50/67/22/967506722.db2.gz ZOLRYPWHXBENQY-QDSKXPNFSA-N 2 1 406.574 3.786 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000065522900 967506726 /nfs/dbraw/zinc/50/67/26/967506726.db2.gz ZOLRYPWHXBENQY-QDSKXPNFSA-N 2 1 406.574 3.786 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000045757754 967548395 /nfs/dbraw/zinc/54/83/95/967548395.db2.gz QVVSUMNUKAEMLP-NRFANRHFSA-N 2 1 400.611 3.913 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000538212118 1013765240 /nfs/dbraw/zinc/76/52/40/1013765240.db2.gz BZHKCZWNSWOHLR-OAHLLOKOSA-N 2 1 420.479 3.535 20 0 HHADMP Cn1ccnc1[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000538274532 1013814017 /nfs/dbraw/zinc/81/40/17/1013814017.db2.gz BACFZVUZOODLBT-VWLOTQADSA-N 2 1 415.585 3.983 20 0 HHADMP Cc1ccccc1[C@@H]([C@H](C)NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)[NH+](C)C ZINC000554146487 1013822015 /nfs/dbraw/zinc/82/20/15/1013822015.db2.gz XXMJZMOBFIXVDU-GBXCKJPGSA-N 2 1 424.589 3.683 20 0 HHADMP CC(C)c1ccc([C@@H](NC(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C(C)C)cc1 ZINC000071952702 968905032 /nfs/dbraw/zinc/90/50/32/968905032.db2.gz CPANKDKSJQXGTE-VWLOTQADSA-N 2 1 415.622 3.668 20 0 HHADMP C[NH+]1CCN(C(=O)C[C@@H]2CC3(CC[NH+](Cc4ccsc4)CC3)c3ccccc32)CC1 ZINC000096052927 969041805 /nfs/dbraw/zinc/04/18/05/969041805.db2.gz AEZMXAAKQIGKSV-OAQYLSRUSA-N 2 1 423.626 3.933 20 0 HHADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C1 ZINC000108818369 969422699 /nfs/dbraw/zinc/42/26/99/969422699.db2.gz YITRDOJXZCHVRM-NAZDKBRTSA-N 2 1 421.585 3.861 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C1 ZINC000108818369 969422703 /nfs/dbraw/zinc/42/27/03/969422703.db2.gz YITRDOJXZCHVRM-NAZDKBRTSA-N 2 1 421.585 3.861 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCOc3ccc(Br)cc3)CC2)C[C@H](C)O1 ZINC000110434852 969667443 /nfs/dbraw/zinc/66/74/43/969667443.db2.gz HLHJILOOAZETOR-CALCHBBNSA-N 2 1 411.384 3.649 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)CC2)cs1 ZINC000110938798 969744170 /nfs/dbraw/zinc/74/41/70/969744170.db2.gz QZOGGZCDTDEFOO-UWJYYQICSA-N 2 1 412.603 3.615 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3CC[N@H+]([C@@H](C)c4ccccc4)C3)CC2)cs1 ZINC000110938798 969744173 /nfs/dbraw/zinc/74/41/73/969744173.db2.gz QZOGGZCDTDEFOO-UWJYYQICSA-N 2 1 412.603 3.615 20 0 HHADMP CSc1ccccc1NC(=O)CC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000110990676 969755574 /nfs/dbraw/zinc/75/55/74/969755574.db2.gz ZCVSGCSRUJZSLD-HDICACEKSA-N 2 1 405.608 3.558 20 0 HHADMP COc1ccc([C@@H]([NH2+]CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)C2CC2)cc1 ZINC000195668041 969943848 /nfs/dbraw/zinc/94/38/48/969943848.db2.gz VKGIONKEOPYGRZ-SANMLTNESA-N 2 1 421.585 3.779 20 0 HHADMP C[NH+]1CCC2(CC1)C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1O2 ZINC000195702058 969967821 /nfs/dbraw/zinc/96/78/21/969967821.db2.gz HKTFANUMOZTRRK-PKTZIBPZSA-N 2 1 419.569 3.755 20 0 HHADMP c1c(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000236635600 970150301 /nfs/dbraw/zinc/15/03/01/970150301.db2.gz KSKUKHKDGLRDMY-FQEVSTJZSA-N 2 1 417.557 3.525 20 0 HHADMP CC(C)(C)OC(=O)N1CCc2cccc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)c21 ZINC000236773411 970170370 /nfs/dbraw/zinc/17/03/70/970170370.db2.gz FRYHNFIGBXQFMA-GOSISDBHSA-N 2 1 415.578 3.575 20 0 HHADMP CN(C)C(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000237067014 970216521 /nfs/dbraw/zinc/21/65/21/970216521.db2.gz OPUWBBVSFOYVFD-OXJNMPFZSA-N 2 1 422.495 3.908 20 0 HHADMP CN(C)C(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000237067014 970216526 /nfs/dbraw/zinc/21/65/26/970216526.db2.gz OPUWBBVSFOYVFD-OXJNMPFZSA-N 2 1 422.495 3.908 20 0 HHADMP COCC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000237129434 970228070 /nfs/dbraw/zinc/22/80/70/970228070.db2.gz CZPOYWKHVRNUEJ-UHFFFAOYSA-N 2 1 408.521 3.879 20 0 HHADMP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000237164159 970233377 /nfs/dbraw/zinc/23/33/77/970233377.db2.gz ZSGQBUWEGHQSTN-UHFFFAOYSA-N 2 1 424.420 3.851 20 0 HHADMP C[N@H+]1CCCN(CCC[NH2+]Cc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000237173501 970236109 /nfs/dbraw/zinc/23/61/09/970236109.db2.gz HBOMBCGNMXTEDC-UHFFFAOYSA-N 2 1 423.424 3.690 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000554575220 1013980928 /nfs/dbraw/zinc/98/09/28/1013980928.db2.gz BKPOTXYVJTWGTB-NZQKXSOJSA-N 2 1 400.611 3.659 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000554575220 1013980932 /nfs/dbraw/zinc/98/09/32/1013980932.db2.gz BKPOTXYVJTWGTB-NZQKXSOJSA-N 2 1 400.611 3.659 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000554575220 1013980936 /nfs/dbraw/zinc/98/09/36/1013980936.db2.gz BKPOTXYVJTWGTB-NZQKXSOJSA-N 2 1 400.611 3.659 20 0 HHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000237880223 970387746 /nfs/dbraw/zinc/38/77/46/970387746.db2.gz RYCMWQUGCVETKR-NRFANRHFSA-N 2 1 404.986 3.528 20 0 HHADMP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc(CSC(F)F)o3)c2)C1 ZINC000237934047 970398025 /nfs/dbraw/zinc/39/80/25/970398025.db2.gz GGBVBAZOJMLXND-KRWDZBQOSA-N 2 1 423.529 3.723 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(CSC(F)F)o3)c2)C1 ZINC000237934047 970398041 /nfs/dbraw/zinc/39/80/41/970398041.db2.gz GGBVBAZOJMLXND-KRWDZBQOSA-N 2 1 423.529 3.723 20 0 HHADMP C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000389148575 972809980 /nfs/dbraw/zinc/80/99/80/972809980.db2.gz WPULOWLNJNWNCW-WMZOPIPTSA-N 2 1 416.363 3.888 20 0 HHADMP C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000389148575 972809995 /nfs/dbraw/zinc/80/99/95/972809995.db2.gz WPULOWLNJNWNCW-WMZOPIPTSA-N 2 1 416.363 3.888 20 0 HHADMP CN(C)C(=O)N1CCC([NH2+]CCC[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000390523375 972824322 /nfs/dbraw/zinc/82/43/22/972824322.db2.gz HUAVYFFHQRPCMZ-UHFFFAOYSA-N 2 1 408.590 3.815 20 0 HHADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 ZINC000554836260 1014068948 /nfs/dbraw/zinc/06/89/48/1014068948.db2.gz GYRCLQRMWVCZSW-HSZRJFAPSA-N 2 1 406.574 3.577 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[NH+](C)C ZINC000410314051 973858457 /nfs/dbraw/zinc/85/84/57/973858457.db2.gz CHDNJTDPCUWEBE-HSZRJFAPSA-N 2 1 424.589 3.570 20 0 HHADMP CC[N@@H+](CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)CCC(F)(F)F ZINC000425977047 974085928 /nfs/dbraw/zinc/08/59/28/974085928.db2.gz JBPAXGJYWPKHMD-IEBWSBKVSA-N 2 1 414.516 3.613 20 0 HHADMP CC[NH+](CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)CCC(F)(F)F ZINC000425977047 974085936 /nfs/dbraw/zinc/08/59/36/974085936.db2.gz JBPAXGJYWPKHMD-IEBWSBKVSA-N 2 1 414.516 3.613 20 0 HHADMP CC[NH+](CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)CCC(F)(F)F ZINC000425977047 974085946 /nfs/dbraw/zinc/08/59/46/974085946.db2.gz JBPAXGJYWPKHMD-IEBWSBKVSA-N 2 1 414.516 3.613 20 0 HHADMP CC[N@@H+](CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1)CCC(F)(F)F ZINC000425995998 974109773 /nfs/dbraw/zinc/10/97/73/974109773.db2.gz NXSIUMKCLISUEY-RDJZCZTQSA-N 2 1 420.545 3.705 20 0 HHADMP CC[NH+](CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)CCC(F)(F)F ZINC000425995998 974109778 /nfs/dbraw/zinc/10/97/78/974109778.db2.gz NXSIUMKCLISUEY-RDJZCZTQSA-N 2 1 420.545 3.705 20 0 HHADMP CC[NH+](CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)CCC(F)(F)F ZINC000425995998 974109781 /nfs/dbraw/zinc/10/97/81/974109781.db2.gz NXSIUMKCLISUEY-RDJZCZTQSA-N 2 1 420.545 3.705 20 0 HHADMP Cc1cccc(C)c1NC(=O)CCC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425998320 974112334 /nfs/dbraw/zinc/11/23/34/974112334.db2.gz HWQHFSKLEAADRM-VWLOTQADSA-N 2 1 409.574 3.591 20 0 HHADMP Cc1cccc(C)c1NC(=O)CCC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425998320 974112337 /nfs/dbraw/zinc/11/23/37/974112337.db2.gz HWQHFSKLEAADRM-VWLOTQADSA-N 2 1 409.574 3.591 20 0 HHADMP Cc1cccc(C)c1NC(=O)CCC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425998320 974112341 /nfs/dbraw/zinc/11/23/41/974112341.db2.gz HWQHFSKLEAADRM-VWLOTQADSA-N 2 1 409.574 3.591 20 0 HHADMP Cc1cccc(C)c1NC(=O)CCC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425998320 974112343 /nfs/dbraw/zinc/11/23/43/974112343.db2.gz HWQHFSKLEAADRM-VWLOTQADSA-N 2 1 409.574 3.591 20 0 HHADMP C[C@@H](C(=O)N1CCCc2ccccc21)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426766161 974643281 /nfs/dbraw/zinc/64/32/81/974643281.db2.gz XJMKITFZRNUYOC-HBMCJLEFSA-N 2 1 413.606 3.566 20 0 HHADMP CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426810919 974677317 /nfs/dbraw/zinc/67/73/17/974677317.db2.gz KBLNOICVWSIREI-AQNXPRMDSA-N 2 1 401.595 3.787 20 0 HHADMP C[C@H](C(=O)NCCC1=CCCCC1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426814231 974679837 /nfs/dbraw/zinc/67/98/37/974679837.db2.gz DKEBYYZXAQBHCH-QHAWAJNXSA-N 2 1 405.627 3.593 20 0 HHADMP CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000426821456 974686792 /nfs/dbraw/zinc/68/67/92/974686792.db2.gz SUQMNRYMMKSTOV-FHWLQOOXSA-N 2 1 419.635 3.947 20 0 HHADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426828893 974693709 /nfs/dbraw/zinc/69/37/09/974693709.db2.gz XDZMWJNZRIXQDW-OTWHNJEPSA-N 2 1 405.558 3.672 20 0 HHADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426828893 974693725 /nfs/dbraw/zinc/69/37/25/974693725.db2.gz XDZMWJNZRIXQDW-OTWHNJEPSA-N 2 1 405.558 3.672 20 0 HHADMP Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426830482 974694942 /nfs/dbraw/zinc/69/49/42/974694942.db2.gz YMBRBDHFIOOISK-BHIFYINESA-N 2 1 415.622 3.553 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000426884843 974730986 /nfs/dbraw/zinc/73/09/86/974730986.db2.gz WIWDXIKTPYSSPV-AHRSYUTCSA-N 2 1 409.496 3.831 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000426884843 974730988 /nfs/dbraw/zinc/73/09/88/974730988.db2.gz WIWDXIKTPYSSPV-AHRSYUTCSA-N 2 1 409.496 3.831 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000426884843 974730989 /nfs/dbraw/zinc/73/09/89/974730989.db2.gz WIWDXIKTPYSSPV-AHRSYUTCSA-N 2 1 409.496 3.831 20 0 HHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427846672 975318863 /nfs/dbraw/zinc/31/88/63/975318863.db2.gz ANKNMWLWKUMMON-QUCCMNQESA-N 2 1 405.464 3.834 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCc4nnc5n4CCCCC5)[C@H]3C2)cc1 ZINC000428204068 975529166 /nfs/dbraw/zinc/52/91/66/975529166.db2.gz HWMXJODTTPMZFC-VABKMULXSA-N 2 1 407.606 3.827 20 0 HHADMP Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)C2)cn1 ZINC000428243756 975559590 /nfs/dbraw/zinc/55/95/90/975559590.db2.gz UPEIXSMZLXRGCV-BPJRBCGYSA-N 2 1 407.606 3.669 20 0 HHADMP CC(C)O[C@H](C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1 ZINC000428298973 975608632 /nfs/dbraw/zinc/60/86/32/975608632.db2.gz VWRCXRIPWNIAQV-PQNGQFLHSA-N 2 1 404.595 3.743 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000428719982 976008151 /nfs/dbraw/zinc/00/81/51/976008151.db2.gz QKDVGCMEHNUDRS-JTHBVZDNSA-N 2 1 415.622 3.542 20 0 HHADMP C[C@H]1C[C@H](NC(=O)NCC[NH+](C)Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000428918181 976218924 /nfs/dbraw/zinc/21/89/24/976218924.db2.gz AVYMYZDDJBTQJC-WMZHIEFXSA-N 2 1 412.553 3.610 20 0 HHADMP C[C@H]1C[C@H](NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000428918181 976218934 /nfs/dbraw/zinc/21/89/34/976218934.db2.gz AVYMYZDDJBTQJC-WMZHIEFXSA-N 2 1 412.553 3.610 20 0 HHADMP C[C@H]1C[C@H](NC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000428918181 976218949 /nfs/dbraw/zinc/21/89/49/976218949.db2.gz AVYMYZDDJBTQJC-WMZHIEFXSA-N 2 1 412.553 3.610 20 0 HHADMP Cc1cc(Br)cc(C)c1NC(=O)CCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429018255 976299589 /nfs/dbraw/zinc/29/95/89/976299589.db2.gz GXENHAKAOBMPIC-HXUWFJFHSA-N 2 1 408.384 3.812 20 0 HHADMP Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429018255 976299603 /nfs/dbraw/zinc/29/96/03/976299603.db2.gz GXENHAKAOBMPIC-HXUWFJFHSA-N 2 1 408.384 3.812 20 0 HHADMP Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429018255 976299609 /nfs/dbraw/zinc/29/96/09/976299609.db2.gz GXENHAKAOBMPIC-HXUWFJFHSA-N 2 1 408.384 3.812 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC000429344626 976608393 /nfs/dbraw/zinc/60/83/93/976608393.db2.gz KKKUAPLIQBHFRR-VWLOTQADSA-N 2 1 423.601 3.939 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429344626 976608403 /nfs/dbraw/zinc/60/84/03/976608403.db2.gz KKKUAPLIQBHFRR-VWLOTQADSA-N 2 1 423.601 3.939 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429344626 976608411 /nfs/dbraw/zinc/60/84/11/976608411.db2.gz KKKUAPLIQBHFRR-VWLOTQADSA-N 2 1 423.601 3.939 20 0 HHADMP CN(c1ccccc1C[N@H+](Cc1ccc(C(N)=O)cc1F)C1CC1)C1CC[NH+](C)CC1 ZINC000430109261 977322456 /nfs/dbraw/zinc/32/24/56/977322456.db2.gz XFWPVTAUOIRLRY-UHFFFAOYSA-N 2 1 424.564 3.620 20 0 HHADMP CN(c1ccccc1C[N@@H+](Cc1ccc(C(N)=O)cc1F)C1CC1)C1CC[NH+](C)CC1 ZINC000430109261 977322462 /nfs/dbraw/zinc/32/24/62/977322462.db2.gz XFWPVTAUOIRLRY-UHFFFAOYSA-N 2 1 424.564 3.620 20 0 HHADMP C[NH+]1CCC(N(Cc2ccco2)C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000430219266 977398750 /nfs/dbraw/zinc/39/87/50/977398750.db2.gz OJIHQQXUYNUELC-VWLOTQADSA-N 2 1 424.589 3.940 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCc1ccc(Cl)cc1F ZINC000430271160 977435898 /nfs/dbraw/zinc/43/58/98/977435898.db2.gz XCPQBQDZCDJWER-UHFFFAOYSA-N 2 1 424.992 3.817 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1(c2ccccc2F)CC1 ZINC000430666316 977678634 /nfs/dbraw/zinc/67/86/34/977678634.db2.gz CNMWZOQEJMGJAN-UHFFFAOYSA-N 2 1 401.570 3.512 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cc(F)c(F)c(F)c1F ZINC000430668227 977679232 /nfs/dbraw/zinc/67/92/32/977679232.db2.gz HHUONTQEFHYVIH-UHFFFAOYSA-N 2 1 415.475 3.511 20 0 HHADMP CC(C)c1ccc(OCC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000430668635 977680137 /nfs/dbraw/zinc/68/01/37/977680137.db2.gz IQWYZRLSRXTAJD-UHFFFAOYSA-N 2 1 415.622 3.844 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000430674278 977685801 /nfs/dbraw/zinc/68/58/01/977685801.db2.gz IKKUJKOZPNVGDU-WOJBJXKFSA-N 2 1 419.560 3.723 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccccc1C(F)(F)F ZINC000430675691 977686588 /nfs/dbraw/zinc/68/65/88/977686588.db2.gz BXZPVLKCCFMOAC-UHFFFAOYSA-N 2 1 411.512 3.974 20 0 HHADMP CCn1cc(CC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c2ccccc21 ZINC000430678148 977688980 /nfs/dbraw/zinc/68/89/80/977688980.db2.gz IMDHCOKYLJPLRA-UHFFFAOYSA-N 2 1 424.633 3.858 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CSc2ccccc21 ZINC000430680455 977690933 /nfs/dbraw/zinc/69/09/33/977690933.db2.gz YJDWKPASKGMMDU-OAQYLSRUSA-N 2 1 401.620 3.531 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@]1(C)CCc2ccccc2C1 ZINC000430682249 977692455 /nfs/dbraw/zinc/69/24/55/977692455.db2.gz WQBWHLITFSYLBN-AREMUKBSSA-N 2 1 411.634 3.836 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C[C@@H]1CCOc2ccccc21 ZINC000430684302 977694157 /nfs/dbraw/zinc/69/41/57/977694157.db2.gz CWRFQCNFHUHQCL-NRFANRHFSA-N 2 1 413.606 3.598 20 0 HHADMP Cc1ccc(C)c(OCCC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430687819 977695943 /nfs/dbraw/zinc/69/59/43/977695943.db2.gz ZUMGJOQGSKGGAE-UHFFFAOYSA-N 2 1 415.622 3.727 20 0 HHADMP C[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430688545 977697025 /nfs/dbraw/zinc/69/70/25/977697025.db2.gz YIIVGXABAPBQIQ-GOSISDBHSA-N 2 1 422.013 3.762 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3nc(-c4ccc(F)cc4)no3)CC2)CC1 ZINC000430927695 977892284 /nfs/dbraw/zinc/89/22/84/977892284.db2.gz RBMVLXCUCDCWPI-UHFFFAOYSA-N 2 1 415.557 3.504 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3nc(-c4ccc(F)cc4)no3)CC2)CC1 ZINC000430927695 977892290 /nfs/dbraw/zinc/89/22/90/977892290.db2.gz RBMVLXCUCDCWPI-UHFFFAOYSA-N 2 1 415.557 3.504 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)COc1cccc2ccccc21 ZINC000430989719 977935562 /nfs/dbraw/zinc/93/55/62/977935562.db2.gz ANXNGVZWLBYVHC-UHFFFAOYSA-N 2 1 423.601 3.873 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cnc(-c2ccco2)s1 ZINC000431058767 977988018 /nfs/dbraw/zinc/98/80/18/977988018.db2.gz UKCLNFJEPBAKKD-UHFFFAOYSA-N 2 1 416.591 3.671 20 0 HHADMP Cc1nc2ccc(NC(=O)N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)cc2o1 ZINC000431073951 978005053 /nfs/dbraw/zinc/00/50/53/978005053.db2.gz OAAYHSNNKHCTFY-UHFFFAOYSA-N 2 1 413.566 3.796 20 0 HHADMP Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)n(C2CC[NH+](C)CC2)n1 ZINC000431136353 978041646 /nfs/dbraw/zinc/04/16/46/978041646.db2.gz IXJRGBNMRRIYDZ-HXUWFJFHSA-N 2 1 424.593 3.587 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000431210793 978095097 /nfs/dbraw/zinc/09/50/97/978095097.db2.gz PHNKWDWCTNAUOS-UHFFFAOYSA-N 2 1 412.500 3.764 20 0 HHADMP CC(C)(C)[N@H+]1C[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)[C@H](C(F)(F)F)C1 ZINC000431254956 978140500 /nfs/dbraw/zinc/14/05/00/978140500.db2.gz JSTDIJBFLHKIPV-RTBURBONSA-N 2 1 411.512 3.676 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000431285378 978171711 /nfs/dbraw/zinc/17/17/11/978171711.db2.gz YVPRJPKAVUDZDI-QHCPKHFHSA-N 2 1 412.622 3.662 20 0 HHADMP Cc1ccc(C[C@H](C)NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000431699302 978443643 /nfs/dbraw/zinc/44/36/43/978443643.db2.gz VNEGJIJXGVZPFD-SFHVURJKSA-N 2 1 420.667 3.825 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431764527 978494269 /nfs/dbraw/zinc/49/42/69/978494269.db2.gz HLOKHPAXHVOTPI-QFIPXVFZSA-N 2 1 405.533 3.843 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431764527 978494274 /nfs/dbraw/zinc/49/42/74/978494274.db2.gz HLOKHPAXHVOTPI-QFIPXVFZSA-N 2 1 405.533 3.843 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000431976231 978626667 /nfs/dbraw/zinc/62/66/67/978626667.db2.gz BDEUTBFXFBYOJC-QFIPXVFZSA-N 2 1 412.622 3.554 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000432423079 978805686 /nfs/dbraw/zinc/80/56/86/978805686.db2.gz WQSCWERCBGAWBI-GDAAHCPNSA-N 2 1 411.512 3.847 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000432423079 978805702 /nfs/dbraw/zinc/80/57/02/978805702.db2.gz WQSCWERCBGAWBI-GDAAHCPNSA-N 2 1 411.512 3.847 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000432423079 978805709 /nfs/dbraw/zinc/80/57/09/978805709.db2.gz WQSCWERCBGAWBI-GDAAHCPNSA-N 2 1 411.512 3.847 20 0 HHADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000432752180 978959155 /nfs/dbraw/zinc/95/91/55/978959155.db2.gz JEISFWPULUXKDZ-UHFFFAOYSA-N 2 1 405.530 3.683 20 0 HHADMP C[C@@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC[N@H+](C2CCC2)C1 ZINC000432770911 978969125 /nfs/dbraw/zinc/96/91/25/978969125.db2.gz YJAVSROXDNWEFJ-IBGZPJMESA-N 2 1 416.635 3.616 20 0 HHADMP COc1cc(C[NH+]2CCOCC3(CCC3)C2)cc(C[N@H+]2CCOCC3(CCC3)C2)c1 ZINC000432838547 978988485 /nfs/dbraw/zinc/98/84/85/978988485.db2.gz FPHIZXGTHLFZBO-UHFFFAOYSA-N 2 1 414.590 3.700 20 0 HHADMP Cn1c(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nnc1-c1ccccc1 ZINC000433044323 979050648 /nfs/dbraw/zinc/05/06/48/979050648.db2.gz ISXDRRSOJFBTJQ-UHFFFAOYSA-N 2 1 401.558 3.970 20 0 HHADMP Cn1c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nnc1-c1ccccc1 ZINC000433044323 979050651 /nfs/dbraw/zinc/05/06/51/979050651.db2.gz ISXDRRSOJFBTJQ-UHFFFAOYSA-N 2 1 401.558 3.970 20 0 HHADMP O=C(CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1ccc2c(c1)OCO2 ZINC000433124900 979085702 /nfs/dbraw/zinc/08/57/02/979085702.db2.gz GTAZVWSUXYHGDG-UHFFFAOYSA-N 2 1 421.541 3.732 20 0 HHADMP O=C(NC1CC1)[C@H](c1ccccc1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433126784 979087483 /nfs/dbraw/zinc/08/74/83/979087483.db2.gz PRUDEJPOPQUNFI-DEOSSOPVSA-N 2 1 403.570 3.994 20 0 HHADMP O=c1[nH]c(CC[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc2ccccc21 ZINC000433172803 979117571 /nfs/dbraw/zinc/11/75/71/979117571.db2.gz IJYFYFDEPBETOQ-UHFFFAOYSA-N 2 1 402.542 3.866 20 0 HHADMP C[C@@H](C(=O)NCc1ccccc1F)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433181804 979124450 /nfs/dbraw/zinc/12/44/50/979124450.db2.gz YUUXOILLXOJFKK-FQEVSTJZSA-N 2 1 409.549 3.819 20 0 HHADMP O=C1[C@@H]([N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCN1c1ccccc1F ZINC000433181578 979124487 /nfs/dbraw/zinc/12/44/87/979124487.db2.gz YRKNDUVRKHFDGY-QHCPKHFHSA-N 2 1 407.533 3.919 20 0 HHADMP O=C1[C@@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCN1c1ccccc1F ZINC000433181578 979124490 /nfs/dbraw/zinc/12/44/90/979124490.db2.gz YRKNDUVRKHFDGY-QHCPKHFHSA-N 2 1 407.533 3.919 20 0 HHADMP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433193027 979132717 /nfs/dbraw/zinc/13/27/17/979132717.db2.gz OAWOTHNCYBBQKK-UHFFFAOYSA-N 2 1 420.557 3.572 20 0 HHADMP CC(=O)Nc1cccc(NC(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433193027 979132721 /nfs/dbraw/zinc/13/27/21/979132721.db2.gz OAWOTHNCYBBQKK-UHFFFAOYSA-N 2 1 420.557 3.572 20 0 HHADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000433239692 979170798 /nfs/dbraw/zinc/17/07/98/979170798.db2.gz IHAIAAAADDDVPO-UYTYNIKBSA-N 2 1 403.533 3.759 20 0 HHADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000433366007 979257790 /nfs/dbraw/zinc/25/77/90/979257790.db2.gz NJVJQSNAULLCAQ-IERDGZPVSA-N 2 1 403.929 3.964 20 0 HHADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000433959014 979716411 /nfs/dbraw/zinc/71/64/11/979716411.db2.gz RQLCQPKPVMVVDW-OAQYLSRUSA-N 2 1 404.986 3.621 20 0 HHADMP CCC(=O)c1cccc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000434120912 979876122 /nfs/dbraw/zinc/87/61/22/979876122.db2.gz OCDDYZNDPWFRIO-UHFFFAOYSA-N 2 1 414.594 3.939 20 0 HHADMP Cc1ccc(Cl)c(OC[C@@H](O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000434686213 980338955 /nfs/dbraw/zinc/33/89/55/980338955.db2.gz UPAZQMXKYLAVNL-IBGZPJMESA-N 2 1 403.954 3.801 20 0 HHADMP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cc(C)nn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000435525107 980919791 /nfs/dbraw/zinc/91/97/91/980919791.db2.gz HWVMTDVBQRFHFG-FGZHOGPDSA-N 2 1 424.593 3.587 20 0 HHADMP O=C1c2ccccc2C(=O)N1C1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000436275913 981280906 /nfs/dbraw/zinc/28/09/06/981280906.db2.gz QZZGVBNETLDEJG-UHFFFAOYSA-N 2 1 417.553 3.848 20 0 HHADMP Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H]3CCC[N@H+]3C3CCCCC3)CC2)cc1 ZINC000436289428 981284881 /nfs/dbraw/zinc/28/48/81/981284881.db2.gz MXICZKRKAYSMEY-JOCHJYFZSA-N 2 1 419.635 3.535 20 0 HHADMP C[C@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000436369012 981330430 /nfs/dbraw/zinc/33/04/30/981330430.db2.gz ULUHRMYWILSOSV-CEXWTWQISA-N 2 1 400.567 3.701 20 0 HHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCC(=O)Nc3ccc(Oc4ccccc4)cc3)C2)CC1 ZINC000436379745 981337388 /nfs/dbraw/zinc/33/73/88/981337388.db2.gz RVHDHONZNIQELI-QFIPXVFZSA-N 2 1 422.573 3.519 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000448210410 981624058 /nfs/dbraw/zinc/62/40/58/981624058.db2.gz ZYRWRMMFADRMTC-ZXMXYHOLSA-N 2 1 410.606 3.555 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448210410 981624063 /nfs/dbraw/zinc/62/40/63/981624063.db2.gz ZYRWRMMFADRMTC-ZXMXYHOLSA-N 2 1 410.606 3.555 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448210410 981624068 /nfs/dbraw/zinc/62/40/68/981624068.db2.gz ZYRWRMMFADRMTC-ZXMXYHOLSA-N 2 1 410.606 3.555 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000448211651 981625546 /nfs/dbraw/zinc/62/55/46/981625546.db2.gz HTNARSARNMKQHO-UXHICEINSA-N 2 1 406.640 3.627 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000448211651 981625549 /nfs/dbraw/zinc/62/55/49/981625549.db2.gz HTNARSARNMKQHO-UXHICEINSA-N 2 1 406.640 3.627 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000448211651 981625554 /nfs/dbraw/zinc/62/55/54/981625554.db2.gz HTNARSARNMKQHO-UXHICEINSA-N 2 1 406.640 3.627 20 0 HHADMP O=C(NCc1ccccc1C[NH+]1CCCCC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448213680 981627861 /nfs/dbraw/zinc/62/78/61/981627861.db2.gz NGRWJUMYLRBBQX-VWNXMTODSA-N 2 1 410.606 3.831 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000448258932 981659523 /nfs/dbraw/zinc/65/95/23/981659523.db2.gz ZQWFAPQCWZSRTH-HJNYFJLDSA-N 2 1 400.611 3.801 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC[NH+]1Cc1ccccc1 ZINC000448258932 981659524 /nfs/dbraw/zinc/65/95/24/981659524.db2.gz ZQWFAPQCWZSRTH-HJNYFJLDSA-N 2 1 400.611 3.801 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC[NH+]1Cc1ccccc1 ZINC000448258932 981659527 /nfs/dbraw/zinc/65/95/27/981659527.db2.gz ZQWFAPQCWZSRTH-HJNYFJLDSA-N 2 1 400.611 3.801 20 0 HHADMP Cc1nn(C)c(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1Br ZINC000448342659 981710574 /nfs/dbraw/zinc/71/05/74/981710574.db2.gz GVGXOYVMZHZBSR-UHFFFAOYSA-N 2 1 417.395 3.979 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)[C@H](C)C1 ZINC000448461687 981795676 /nfs/dbraw/zinc/79/56/76/981795676.db2.gz NGBYUQGICAQBLX-UTKZUKDTSA-N 2 1 407.002 3.676 20 0 HHADMP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448466115 981800985 /nfs/dbraw/zinc/80/09/85/981800985.db2.gz MIGILULBEDXFGB-YZGWKJHDSA-N 2 1 402.608 3.543 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1Cl ZINC000448468351 981806109 /nfs/dbraw/zinc/80/61/09/981806109.db2.gz UIAJPTZUTBSHCV-ZLGUVYLKSA-N 2 1 404.986 3.601 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1Cl ZINC000448468351 981806123 /nfs/dbraw/zinc/80/61/23/981806123.db2.gz UIAJPTZUTBSHCV-ZLGUVYLKSA-N 2 1 404.986 3.601 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000448469708 981809194 /nfs/dbraw/zinc/80/91/94/981809194.db2.gz AZOGSFQUXOJYAV-JTHBVZDNSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000448469708 981809203 /nfs/dbraw/zinc/80/92/03/981809203.db2.gz AZOGSFQUXOJYAV-JTHBVZDNSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000448469708 981809214 /nfs/dbraw/zinc/80/92/14/981809214.db2.gz AZOGSFQUXOJYAV-JTHBVZDNSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)C1 ZINC000448472320 981813304 /nfs/dbraw/zinc/81/33/04/981813304.db2.gz HPDJXXLUOZVRRP-DEOSSOPVSA-N 2 1 414.638 3.908 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000448472320 981813311 /nfs/dbraw/zinc/81/33/11/981813311.db2.gz HPDJXXLUOZVRRP-DEOSSOPVSA-N 2 1 414.638 3.908 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000448472320 981813317 /nfs/dbraw/zinc/81/33/17/981813317.db2.gz HPDJXXLUOZVRRP-DEOSSOPVSA-N 2 1 414.638 3.908 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000448475855 981819361 /nfs/dbraw/zinc/81/93/61/981819361.db2.gz WSIMCWXPAFJXGA-GGAORHGYSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000448475855 981819370 /nfs/dbraw/zinc/81/93/70/981819370.db2.gz WSIMCWXPAFJXGA-GGAORHGYSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000448475855 981819380 /nfs/dbraw/zinc/81/93/80/981819380.db2.gz WSIMCWXPAFJXGA-GGAORHGYSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000448519930 981848890 /nfs/dbraw/zinc/84/88/90/981848890.db2.gz GRHRPPPGXFAHBV-VCPJMCHLSA-N 2 1 424.633 3.801 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448519930 981848895 /nfs/dbraw/zinc/84/88/95/981848895.db2.gz GRHRPPPGXFAHBV-VCPJMCHLSA-N 2 1 424.633 3.801 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448519930 981848898 /nfs/dbraw/zinc/84/88/98/981848898.db2.gz GRHRPPPGXFAHBV-VCPJMCHLSA-N 2 1 424.633 3.801 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)[C@@H](C)C1 ZINC000448525332 981854433 /nfs/dbraw/zinc/85/44/33/981854433.db2.gz PZWWEFAUSYSLGH-AJSBUHFISA-N 2 1 414.638 3.831 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)[C@@H](C)C1 ZINC000448525332 981854441 /nfs/dbraw/zinc/85/44/41/981854441.db2.gz PZWWEFAUSYSLGH-AJSBUHFISA-N 2 1 414.638 3.831 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)[C@@H](C)C1 ZINC000448525332 981854454 /nfs/dbraw/zinc/85/44/54/981854454.db2.gz PZWWEFAUSYSLGH-AJSBUHFISA-N 2 1 414.638 3.831 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccco1 ZINC000460143493 981915391 /nfs/dbraw/zinc/91/53/91/981915391.db2.gz OUFAOHZLEGOQGG-YTFSRNRJSA-N 2 1 424.589 3.826 20 0 HHADMP C[NH+](C)CC[C@H](NC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C(C)(C)C ZINC000460339345 982111349 /nfs/dbraw/zinc/11/13/49/982111349.db2.gz CFXNUNXEOUXDBC-VSKRKVRLSA-N 2 1 400.611 3.516 20 0 HHADMP CCOC(=O)c1ccc(NC(=O)C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000460362088 982136640 /nfs/dbraw/zinc/13/66/40/982136640.db2.gz JQZOYXGNQHGEAR-OALUTQOASA-N 2 1 423.557 3.548 20 0 HHADMP O=C(C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000437525304 982150765 /nfs/dbraw/zinc/15/07/65/982150765.db2.gz MMBYQYZUTPTXCK-VQTJNVASSA-N 2 1 405.633 3.534 20 0 HHADMP O=C(C[N@H+]1CCS[C@@H]2CCCC[C@@H]21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000437525304 982150770 /nfs/dbraw/zinc/15/07/70/982150770.db2.gz MMBYQYZUTPTXCK-VQTJNVASSA-N 2 1 405.633 3.534 20 0 HHADMP O=C(C[N@@H+]1CCS[C@H]2CCCC[C@H]21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000437525302 982150890 /nfs/dbraw/zinc/15/08/90/982150890.db2.gz MMBYQYZUTPTXCK-UXHICEINSA-N 2 1 405.633 3.534 20 0 HHADMP O=C(C[N@H+]1CCS[C@H]2CCCC[C@H]21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000437525302 982150893 /nfs/dbraw/zinc/15/08/93/982150893.db2.gz MMBYQYZUTPTXCK-UXHICEINSA-N 2 1 405.633 3.534 20 0 HHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000437729014 982322123 /nfs/dbraw/zinc/32/21/23/982322123.db2.gz GAPIBSAZHGOMHV-VQTJNVASSA-N 2 1 402.583 3.745 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)CC2)cs1 ZINC000437836962 982393800 /nfs/dbraw/zinc/39/38/00/982393800.db2.gz INQLFAIBHJPLBM-OAQYLSRUSA-N 2 1 404.624 3.577 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)CC2)cs1 ZINC000437836962 982393809 /nfs/dbraw/zinc/39/38/09/982393809.db2.gz INQLFAIBHJPLBM-OAQYLSRUSA-N 2 1 404.624 3.577 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000438327498 982725442 /nfs/dbraw/zinc/72/54/42/982725442.db2.gz XRAIYDBQILRXGQ-PMVMPFDFSA-N 2 1 413.610 3.513 20 0 HHADMP CN(C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438327498 982725444 /nfs/dbraw/zinc/72/54/44/982725444.db2.gz XRAIYDBQILRXGQ-PMVMPFDFSA-N 2 1 413.610 3.513 20 0 HHADMP CN(C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000438327498 982725446 /nfs/dbraw/zinc/72/54/46/982725446.db2.gz XRAIYDBQILRXGQ-PMVMPFDFSA-N 2 1 413.610 3.513 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000438482358 982829183 /nfs/dbraw/zinc/82/91/83/982829183.db2.gz YBCVXSSISGOXMZ-RLWLMLJZSA-N 2 1 405.586 3.819 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C(F)(F)F)c(C)c1 ZINC000438542820 982881293 /nfs/dbraw/zinc/88/12/93/982881293.db2.gz VYLIOLGGDKAJDZ-KRWDZBQOSA-N 2 1 400.489 3.894 20 0 HHADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000461443381 983107788 /nfs/dbraw/zinc/10/77/88/983107788.db2.gz ARPUYQCAOHWZDA-TWJOJJKGSA-N 2 1 417.597 3.879 20 0 HHADMP O=C([C@@H]1CCC[NH+](Cc2ccccc2)C1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461443381 983107790 /nfs/dbraw/zinc/10/77/90/983107790.db2.gz ARPUYQCAOHWZDA-TWJOJJKGSA-N 2 1 417.597 3.879 20 0 HHADMP O=C([C@@H]1CCC[NH+](Cc2ccccc2)C1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461443381 983107795 /nfs/dbraw/zinc/10/77/95/983107795.db2.gz ARPUYQCAOHWZDA-TWJOJJKGSA-N 2 1 417.597 3.879 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000438842788 983110646 /nfs/dbraw/zinc/11/06/46/983110646.db2.gz SVJDIPHVPHNQKO-HYBUGGRVSA-N 2 1 421.589 3.571 20 0 HHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000438864273 983129681 /nfs/dbraw/zinc/12/96/81/983129681.db2.gz JOCLGXNKGOIQAE-UGKGYDQZSA-N 2 1 401.599 3.561 20 0 HHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000439132641 983266119 /nfs/dbraw/zinc/26/61/19/983266119.db2.gz HOQGLOLEKHFJIF-GOSISDBHSA-N 2 1 400.430 3.969 20 0 HHADMP C[N@H+](Cc1ccccc1NC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000439237345 983324124 /nfs/dbraw/zinc/32/41/24/983324124.db2.gz MPMIPXRLTRQWLS-FQEVSTJZSA-N 2 1 414.594 3.637 20 0 HHADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000439237345 983324131 /nfs/dbraw/zinc/32/41/31/983324131.db2.gz MPMIPXRLTRQWLS-FQEVSTJZSA-N 2 1 414.594 3.637 20 0 HHADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000439345769 983374239 /nfs/dbraw/zinc/37/42/39/983374239.db2.gz HFPUXBDCBLUPEV-FGZHOGPDSA-N 2 1 422.013 3.604 20 0 HHADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000439345769 983374244 /nfs/dbraw/zinc/37/42/44/983374244.db2.gz HFPUXBDCBLUPEV-FGZHOGPDSA-N 2 1 422.013 3.604 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000439737463 983520351 /nfs/dbraw/zinc/52/03/51/983520351.db2.gz YFPIWVYQNDNJPA-MBSDFSHPSA-N 2 1 410.537 3.527 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000439737463 983520356 /nfs/dbraw/zinc/52/03/56/983520356.db2.gz YFPIWVYQNDNJPA-MBSDFSHPSA-N 2 1 410.537 3.527 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000439756937 983526642 /nfs/dbraw/zinc/52/66/42/983526642.db2.gz MHWIRZRWXYTKCW-UGKGYDQZSA-N 2 1 424.564 3.775 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)CC1 ZINC000440184281 983673984 /nfs/dbraw/zinc/67/39/84/983673984.db2.gz HBDIIISMKFLCMC-HXUWFJFHSA-N 2 1 415.626 3.761 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000440185195 983674455 /nfs/dbraw/zinc/67/44/55/983674455.db2.gz JLOVRXCEPLEBFF-RDPSFJRHSA-N 2 1 421.589 3.523 20 0 HHADMP Brc1cccc(-c2cnc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)o2)c1 ZINC000441176979 984101980 /nfs/dbraw/zinc/10/19/80/984101980.db2.gz AMWLGRALWJALBH-UHFFFAOYSA-N 2 1 420.351 3.648 20 0 HHADMP COc1cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)ccc1OCc1ccc(F)cc1 ZINC000441354792 984203476 /nfs/dbraw/zinc/20/34/76/984203476.db2.gz IROBNSXJDZDKTM-UHFFFAOYSA-N 2 1 415.553 3.529 20 0 HHADMP Cc1c(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cnn1CCC(C)C ZINC000441450881 984259550 /nfs/dbraw/zinc/25/95/50/984259550.db2.gz QLFNISPEVPZNPV-UHFFFAOYSA-N 2 1 417.642 3.506 20 0 HHADMP C[NH+](C)CC1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000441519734 984299897 /nfs/dbraw/zinc/29/98/97/984299897.db2.gz BCCVQMOPMSMUTO-WDTLCOQZSA-N 2 1 412.622 3.803 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000441528797 984305466 /nfs/dbraw/zinc/30/54/66/984305466.db2.gz ZFKMEIIOZRDNCW-OOMBGRCJSA-N 2 1 400.611 3.660 20 0 HHADMP COCC[NH+]1CCC([NH2+]Cc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)CC1 ZINC000462039997 985015289 /nfs/dbraw/zinc/01/52/89/985015289.db2.gz QAQMDCHAWCWKRN-UHFFFAOYSA-N 2 1 410.484 3.708 20 0 HHADMP C[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000462126105 985096152 /nfs/dbraw/zinc/09/61/52/985096152.db2.gz MTTIHNXRYHMDSI-CTNGQTDRSA-N 2 1 400.592 3.692 20 0 HHADMP O=C(c1cc(C[NH+]2CCCC2)on1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000462184927 985166095 /nfs/dbraw/zinc/16/60/95/985166095.db2.gz CQERKZYYGVCEQN-UHFFFAOYSA-N 2 1 422.573 3.931 20 0 HHADMP O=C(c1cc(C[NH+]2CCCC2)on1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000462184927 985166102 /nfs/dbraw/zinc/16/61/02/985166102.db2.gz CQERKZYYGVCEQN-UHFFFAOYSA-N 2 1 422.573 3.931 20 0 HHADMP CC[NH+]1CCN(c2ccc(-c3noc([C@@H](C)[N@H+]4[C@H](C)CC[C@@H]4C)n3)cc2F)CC1 ZINC000443190327 985434921 /nfs/dbraw/zinc/43/49/21/985434921.db2.gz BDEWCVNYSCQGGZ-IXDOHACOSA-N 2 1 401.530 3.951 20 0 HHADMP CC[NH+]1CCN(c2ccc(-c3noc([C@@H](C)[N@@H+]4[C@H](C)CC[C@@H]4C)n3)cc2F)CC1 ZINC000443190327 985434923 /nfs/dbraw/zinc/43/49/23/985434923.db2.gz BDEWCVNYSCQGGZ-IXDOHACOSA-N 2 1 401.530 3.951 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000462520334 985470237 /nfs/dbraw/zinc/47/02/37/985470237.db2.gz HDTDJCAZWWLAFN-CYFREDJKSA-N 2 1 424.564 3.610 20 0 HHADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc(OCC(F)F)cc2)[C@@H](c2ccccc2)C1 ZINC000462680075 985618928 /nfs/dbraw/zinc/61/89/28/985618928.db2.gz TUYFFCFECSUIOE-JOCHJYFZSA-N 2 1 403.517 3.799 20 0 HHADMP C[C@H](NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000462714186 985660902 /nfs/dbraw/zinc/66/09/02/985660902.db2.gz DGBZWYRWDSMMQC-QKYMMTCKSA-N 2 1 420.601 3.717 20 0 HHADMP C[C@H](NC(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462714186 985660905 /nfs/dbraw/zinc/66/09/05/985660905.db2.gz DGBZWYRWDSMMQC-QKYMMTCKSA-N 2 1 420.601 3.717 20 0 HHADMP C[C@H](NC(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462714186 985660910 /nfs/dbraw/zinc/66/09/10/985660910.db2.gz DGBZWYRWDSMMQC-QKYMMTCKSA-N 2 1 420.601 3.717 20 0 HHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC000462750040 985691244 /nfs/dbraw/zinc/69/12/44/985691244.db2.gz LQQHJSJVTZDQQI-ZEQRLZLVSA-N 2 1 412.622 3.662 20 0 HHADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000462750040 985691248 /nfs/dbraw/zinc/69/12/48/985691248.db2.gz LQQHJSJVTZDQQI-ZEQRLZLVSA-N 2 1 412.622 3.662 20 0 HHADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000462750040 985691257 /nfs/dbraw/zinc/69/12/57/985691257.db2.gz LQQHJSJVTZDQQI-ZEQRLZLVSA-N 2 1 412.622 3.662 20 0 HHADMP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462750711 985692455 /nfs/dbraw/zinc/69/24/55/985692455.db2.gz QEJUMRHJLSDWBK-QHCPKHFHSA-N 2 1 400.611 3.806 20 0 HHADMP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462750710 985692767 /nfs/dbraw/zinc/69/27/67/985692767.db2.gz QEJUMRHJLSDWBK-HSZRJFAPSA-N 2 1 400.611 3.806 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000443636949 985821086 /nfs/dbraw/zinc/82/10/86/985821086.db2.gz HFQDYIPDCXTMNB-VLVHOKLOSA-N 2 1 400.611 3.646 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000443636949 985821102 /nfs/dbraw/zinc/82/11/02/985821102.db2.gz HFQDYIPDCXTMNB-VLVHOKLOSA-N 2 1 400.611 3.646 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000443636949 985821114 /nfs/dbraw/zinc/82/11/14/985821114.db2.gz HFQDYIPDCXTMNB-VLVHOKLOSA-N 2 1 400.611 3.646 20 0 HHADMP COc1ccccc1N1CC[C@@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000463108963 986070780 /nfs/dbraw/zinc/07/07/80/986070780.db2.gz IIQATHUZVHHXDW-NRFANRHFSA-N 2 1 411.565 3.957 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cccc(CN4CC[NH+](C)CC4)c3)cc2)C1 ZINC000468377806 986077172 /nfs/dbraw/zinc/07/71/72/986077172.db2.gz REGLJMGWHIBMDJ-OAQYLSRUSA-N 2 1 420.601 3.918 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC3CCC(C(F)(F)F)CC3)CC2)CC1 ZINC000468397123 986096243 /nfs/dbraw/zinc/09/62/43/986096243.db2.gz IKTDMNOPMVLVDA-UHFFFAOYSA-N 2 1 403.533 3.621 20 0 HHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCCN3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000463135947 986103255 /nfs/dbraw/zinc/10/32/55/986103255.db2.gz AYSITUWXHRVVMT-UHFFFAOYSA-N 2 1 424.608 3.635 20 0 HHADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000463187877 986158707 /nfs/dbraw/zinc/15/87/07/986158707.db2.gz FEMKAYLTHNBHIF-KAYWLYCHSA-N 2 1 421.629 3.963 20 0 HHADMP COc1ccc(Cl)cc1NC(=O)CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463204089 986175967 /nfs/dbraw/zinc/17/59/67/986175967.db2.gz IOWRSJIXOIQYIP-UHFFFAOYSA-N 2 1 415.965 3.974 20 0 HHADMP COc1cc(CN2CC[C@@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)cc(OC)c1 ZINC000463205222 986176846 /nfs/dbraw/zinc/17/68/46/986176846.db2.gz LXDSXARKZJSRRA-XMMPIXPASA-N 2 1 423.601 3.575 20 0 HHADMP O=C(CCc1ccccc1)N1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000463207989 986178911 /nfs/dbraw/zinc/17/89/11/986178911.db2.gz VBXUZHZKHSFZRK-VWLOTQADSA-N 2 1 405.586 3.517 20 0 HHADMP C[C@@H]1C[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)C[N@@H+](Cc2ccccc2)C1 ZINC000468509824 986211191 /nfs/dbraw/zinc/21/11/91/986211191.db2.gz IIVXHBQNCGPFQK-IFMALSPDSA-N 2 1 407.606 3.935 20 0 HHADMP C[N@@H+](Cc1cc(Br)cc(Br)c1N)C[C@@H]1CCC[NH+](C)C1 ZINC000463289007 986256417 /nfs/dbraw/zinc/25/64/17/986256417.db2.gz NXTHZLYNZHEHHO-LLVKDONJSA-N 2 1 405.178 3.567 20 0 HHADMP C[N@H+](Cc1cc(Br)cc(Br)c1N)C[C@@H]1CCC[NH+](C)C1 ZINC000463289007 986256427 /nfs/dbraw/zinc/25/64/27/986256427.db2.gz NXTHZLYNZHEHHO-LLVKDONJSA-N 2 1 405.178 3.567 20 0 HHADMP C[NH+](Cc1cc(Br)cc(Br)c1N)C[C@@H]1CCC[N@H+](C)C1 ZINC000463289007 986256439 /nfs/dbraw/zinc/25/64/39/986256439.db2.gz NXTHZLYNZHEHHO-LLVKDONJSA-N 2 1 405.178 3.567 20 0 HHADMP C[NH+](Cc1cc(Br)cc(Br)c1N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000463289007 986256448 /nfs/dbraw/zinc/25/64/48/986256448.db2.gz NXTHZLYNZHEHHO-LLVKDONJSA-N 2 1 405.178 3.567 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000463293889 986261304 /nfs/dbraw/zinc/26/13/04/986261304.db2.gz OMVYROOXAZLSTG-SNVBAGLBSA-N 2 1 416.161 3.725 20 0 HHADMP CC[NH+](Cc1cc(Br)ccc1C[N@H+](CC)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000463447630 986427601 /nfs/dbraw/zinc/42/76/01/986427601.db2.gz ZQVGRUYCIZJGGB-PMACEKPBSA-N 2 1 411.384 3.671 20 0 HHADMP CC[NH+](Cc1ccc(Br)cc1C[N@H+](CC)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000463447630 986427603 /nfs/dbraw/zinc/42/76/03/986427603.db2.gz ZQVGRUYCIZJGGB-PMACEKPBSA-N 2 1 411.384 3.671 20 0 HHADMP CC[NH+](Cc1ccc(Br)cc1C[N@@H+](CC)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000463447630 986427608 /nfs/dbraw/zinc/42/76/08/986427608.db2.gz ZQVGRUYCIZJGGB-PMACEKPBSA-N 2 1 411.384 3.671 20 0 HHADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000468903843 986611046 /nfs/dbraw/zinc/61/10/46/986611046.db2.gz HXUJIDFBLPLQQQ-WBVHZDCISA-N 2 1 411.456 3.770 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000468903843 986611050 /nfs/dbraw/zinc/61/10/50/986611050.db2.gz HXUJIDFBLPLQQQ-WBVHZDCISA-N 2 1 411.456 3.770 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000444478137 986664256 /nfs/dbraw/zinc/66/42/56/986664256.db2.gz PGHABIWUSPLKRB-HXUWFJFHSA-N 2 1 417.557 3.570 20 0 HHADMP C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1nc2ccccc2n1C(F)F ZINC000444665326 986849141 /nfs/dbraw/zinc/84/91/41/986849141.db2.gz OPKIFYRILFHNED-DNVCBOLYSA-N 2 1 415.488 3.501 20 0 HHADMP Cc1nc2c(s1)CCC[C@@H]2C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000469533449 987207776 /nfs/dbraw/zinc/20/77/76/987207776.db2.gz OQAZZSQPCJOBHZ-FQEVSTJZSA-N 2 1 418.651 3.526 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000469759304 987412670 /nfs/dbraw/zinc/41/26/70/987412670.db2.gz XZOSCLLMCVECPY-ZDWTUXFCSA-N 2 1 411.512 3.534 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000469759304 987412673 /nfs/dbraw/zinc/41/26/73/987412673.db2.gz XZOSCLLMCVECPY-ZDWTUXFCSA-N 2 1 411.512 3.534 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(I)cc2)[C@H](C)C1 ZINC000469761588 987415103 /nfs/dbraw/zinc/41/51/03/987415103.db2.gz AOJCYXCFGXFKNA-CRAIPNDOSA-N 2 1 416.347 3.518 20 0 HHADMP COc1ccccc1[C@H](C)N(C)C(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000469764596 987417188 /nfs/dbraw/zinc/41/71/88/987417188.db2.gz OQXIUPKTEAUYOK-NJYVYQBISA-N 2 1 423.601 3.961 20 0 HHADMP CCOCc1ccccc1CNC(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000469787010 987432285 /nfs/dbraw/zinc/43/22/85/987432285.db2.gz MSXYZNRLXOLQPZ-SFTDATJTSA-N 2 1 423.601 3.586 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)Cn2c3ccccc3c3ccccc32)[C@H](C)C1 ZINC000469794157 987437667 /nfs/dbraw/zinc/43/76/67/987437667.db2.gz NDMDLQMSRCPPOT-DPLHUUCSSA-N 2 1 423.601 3.882 20 0 HHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)cc(Br)c2N)[C@@H](C)C1 ZINC000469959640 987580541 /nfs/dbraw/zinc/58/05/41/987580541.db2.gz NJOQDDOOHOVBKW-XHDPSFHLSA-N 2 1 419.205 3.956 20 0 HHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)cc(Br)c2N)[C@@H](C)C1 ZINC000469959640 987580548 /nfs/dbraw/zinc/58/05/48/987580548.db2.gz NJOQDDOOHOVBKW-XHDPSFHLSA-N 2 1 419.205 3.956 20 0 HHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Br)cc(Br)c2N)[C@@H](C)C1 ZINC000469959640 987580552 /nfs/dbraw/zinc/58/05/52/987580552.db2.gz NJOQDDOOHOVBKW-XHDPSFHLSA-N 2 1 419.205 3.956 20 0 HHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Br)cc(Br)c2N)[C@@H](C)C1 ZINC000469959640 987580559 /nfs/dbraw/zinc/58/05/59/987580559.db2.gz NJOQDDOOHOVBKW-XHDPSFHLSA-N 2 1 419.205 3.956 20 0 HHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)cc(Br)c2N)[C@H](C)C1 ZINC000469959638 987580666 /nfs/dbraw/zinc/58/06/66/987580666.db2.gz NJOQDDOOHOVBKW-IAQYHMDHSA-N 2 1 419.205 3.956 20 0 HHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)cc(Br)c2N)[C@H](C)C1 ZINC000469959638 987580671 /nfs/dbraw/zinc/58/06/71/987580671.db2.gz NJOQDDOOHOVBKW-IAQYHMDHSA-N 2 1 419.205 3.956 20 0 HHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Br)cc(Br)c2N)[C@H](C)C1 ZINC000469959638 987580674 /nfs/dbraw/zinc/58/06/74/987580674.db2.gz NJOQDDOOHOVBKW-IAQYHMDHSA-N 2 1 419.205 3.956 20 0 HHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Br)cc(Br)c2N)[C@H](C)C1 ZINC000469959638 987580679 /nfs/dbraw/zinc/58/06/79/987580679.db2.gz NJOQDDOOHOVBKW-IAQYHMDHSA-N 2 1 419.205 3.956 20 0 HHADMP Nc1c(Br)cc(Br)cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000470089370 987988961 /nfs/dbraw/zinc/98/89/61/987988961.db2.gz ZNYSOPZKNYDMQY-UHFFFAOYSA-N 2 1 403.162 3.510 20 0 HHADMP C[C@H]1C[N@@H+](CCCNC(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)CCCO1 ZINC000470103211 988004926 /nfs/dbraw/zinc/00/49/26/988004926.db2.gz FHJBNGFZVWONSO-NRFANRHFSA-N 2 1 409.574 3.549 20 0 HHADMP C[C@H]1C[NH+](CCCNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CCCO1 ZINC000470103211 988004942 /nfs/dbraw/zinc/00/49/42/988004942.db2.gz FHJBNGFZVWONSO-NRFANRHFSA-N 2 1 409.574 3.549 20 0 HHADMP C[C@H]1C[NH+](CCCNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CCCO1 ZINC000470103211 988004946 /nfs/dbraw/zinc/00/49/46/988004946.db2.gz FHJBNGFZVWONSO-NRFANRHFSA-N 2 1 409.574 3.549 20 0 HHADMP C[C@H]1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463956400 988068413 /nfs/dbraw/zinc/06/84/13/988068413.db2.gz ZFRQRPIDJPEZKP-RBBKRZOGSA-N 2 1 410.562 3.723 20 0 HHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000470288077 988245950 /nfs/dbraw/zinc/24/59/50/988245950.db2.gz RSUOWORFSLYXLP-DHIUTWEWSA-N 2 1 400.611 3.803 20 0 HHADMP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000464326974 988461670 /nfs/dbraw/zinc/46/16/70/988461670.db2.gz YOCVQDCEFHAEMP-UNMCSNQZSA-N 2 1 423.523 3.822 20 0 HHADMP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000464326974 988461676 /nfs/dbraw/zinc/46/16/76/988461676.db2.gz YOCVQDCEFHAEMP-UNMCSNQZSA-N 2 1 423.523 3.822 20 0 HHADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000464326974 988461680 /nfs/dbraw/zinc/46/16/80/988461680.db2.gz YOCVQDCEFHAEMP-UNMCSNQZSA-N 2 1 423.523 3.822 20 0 HHADMP CCC1(CC)C[N@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCS1 ZINC000464580136 988758381 /nfs/dbraw/zinc/75/83/81/988758381.db2.gz FUKISDMJUMMCHA-IBGZPJMESA-N 2 1 403.636 3.763 20 0 HHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000470738670 988775828 /nfs/dbraw/zinc/77/58/28/988775828.db2.gz XACRDVLMOBIEOE-RBBKRZOGSA-N 2 1 412.622 3.934 20 0 HHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000470738670 988775834 /nfs/dbraw/zinc/77/58/34/988775834.db2.gz XACRDVLMOBIEOE-RBBKRZOGSA-N 2 1 412.622 3.934 20 0 HHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000470738670 988775844 /nfs/dbraw/zinc/77/58/44/988775844.db2.gz XACRDVLMOBIEOE-RBBKRZOGSA-N 2 1 412.622 3.934 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(C)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000470744483 988783589 /nfs/dbraw/zinc/78/35/89/988783589.db2.gz GYMNJHQBNLPOKB-FUPPJEDESA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000470744483 988783595 /nfs/dbraw/zinc/78/35/95/988783595.db2.gz GYMNJHQBNLPOKB-FUPPJEDESA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000470744483 988783598 /nfs/dbraw/zinc/78/35/98/988783598.db2.gz GYMNJHQBNLPOKB-FUPPJEDESA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)cc2)C1 ZINC000470748428 988789603 /nfs/dbraw/zinc/78/96/03/988789603.db2.gz WNNWFYUNFHKNQT-ZFGGDYGUSA-N 2 1 412.622 3.792 20 0 HHADMP Cc1cc(N2CCC[C@H]([NH+]3CCC(c4[nH]cc[nH+]4)CC3)C2=O)ccc1Br ZINC000464677358 988878907 /nfs/dbraw/zinc/87/89/07/988878907.db2.gz LIZMHPKVYMYQLT-SFHVURJKSA-N 2 1 417.351 3.856 20 0 HHADMP C[C@H](OC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000470998559 989064265 /nfs/dbraw/zinc/06/42/65/989064265.db2.gz YWPLWUGBPQKUQQ-IVDSKFSHSA-N 2 1 414.977 3.842 20 0 HHADMP C[C@H](OC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000470998559 989064277 /nfs/dbraw/zinc/06/42/77/989064277.db2.gz YWPLWUGBPQKUQQ-IVDSKFSHSA-N 2 1 414.977 3.842 20 0 HHADMP C[C@H](OC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000470998559 989064289 /nfs/dbraw/zinc/06/42/89/989064289.db2.gz YWPLWUGBPQKUQQ-IVDSKFSHSA-N 2 1 414.977 3.842 20 0 HHADMP C[N@@H+](C[C@H](O)COc1cccc(C(F)(F)F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464845009 989094509 /nfs/dbraw/zinc/09/45/09/989094509.db2.gz CYGBOULSMOBEQE-FPOVZHCZSA-N 2 1 422.491 3.899 20 0 HHADMP C[NH+](C[C@H](O)COc1cccc(C(F)(F)F)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464845009 989094526 /nfs/dbraw/zinc/09/45/26/989094526.db2.gz CYGBOULSMOBEQE-FPOVZHCZSA-N 2 1 422.491 3.899 20 0 HHADMP C[NH+](C[C@H](O)COc1cccc(C(F)(F)F)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464845009 989094540 /nfs/dbraw/zinc/09/45/40/989094540.db2.gz CYGBOULSMOBEQE-FPOVZHCZSA-N 2 1 422.491 3.899 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)C1 ZINC000464953961 989250163 /nfs/dbraw/zinc/25/01/63/989250163.db2.gz QMILYXIWNXVWBC-NZQKXSOJSA-N 2 1 400.611 3.696 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000464953961 989250173 /nfs/dbraw/zinc/25/01/73/989250173.db2.gz QMILYXIWNXVWBC-NZQKXSOJSA-N 2 1 400.611 3.696 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000464953961 989250186 /nfs/dbraw/zinc/25/01/86/989250186.db2.gz QMILYXIWNXVWBC-NZQKXSOJSA-N 2 1 400.611 3.696 20 0 HHADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccccc3OCC[NH+](C)C)cc2)C1 ZINC000465185715 989521229 /nfs/dbraw/zinc/52/12/29/989521229.db2.gz NSAYDFPNBHAEFD-IBGZPJMESA-N 2 1 411.546 3.600 20 0 HHADMP C[C@H]1CCN(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000465419394 989764666 /nfs/dbraw/zinc/76/46/66/989764666.db2.gz AXCMTPOHJMDEAW-CVDCTZTESA-N 2 1 412.553 3.734 20 0 HHADMP C[C@H]1CCN(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000465419395 989765172 /nfs/dbraw/zinc/76/51/72/989765172.db2.gz AXCMTPOHJMDEAW-WMZHIEFXSA-N 2 1 412.553 3.734 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000465477588 989825116 /nfs/dbraw/zinc/82/51/16/989825116.db2.gz PAZHEDOUHRYCDA-LEWJYISDSA-N 2 1 407.002 3.849 20 0 HHADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)c1 ZINC000465515230 989866829 /nfs/dbraw/zinc/86/68/29/989866829.db2.gz LOYLSXOQMJSGNQ-UHFFFAOYSA-N 2 1 409.578 3.700 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)Cc1ccccc1 ZINC000465518753 989871841 /nfs/dbraw/zinc/87/18/41/989871841.db2.gz DWRCMVFTDALZIF-XPWALMASSA-N 2 1 400.611 3.596 20 0 HHADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[NH+]1CCC[C@@H](C)C1 ZINC000465524049 989877969 /nfs/dbraw/zinc/87/79/69/989877969.db2.gz CXWNOOZFROGXJL-UXHICEINSA-N 2 1 412.578 3.831 20 0 HHADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[NH+]1CCC[C@@H](C)C1 ZINC000465524049 989877977 /nfs/dbraw/zinc/87/79/77/989877977.db2.gz CXWNOOZFROGXJL-UXHICEINSA-N 2 1 412.578 3.831 20 0 HHADMP C[C@@H](CNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)[N@@H+]1CCC[C@@H](C)C1 ZINC000465524049 989877982 /nfs/dbraw/zinc/87/79/82/989877982.db2.gz CXWNOOZFROGXJL-UXHICEINSA-N 2 1 412.578 3.831 20 0 HHADMP C[C@@H](CNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)[N@H+]1CCC[C@@H](C)C1 ZINC000465524049 989877987 /nfs/dbraw/zinc/87/79/87/989877987.db2.gz CXWNOOZFROGXJL-UXHICEINSA-N 2 1 412.578 3.831 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000465535366 989897878 /nfs/dbraw/zinc/89/78/78/989897878.db2.gz BCTGEQDNZZAAKC-MQSCRBSSSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000465535366 989897897 /nfs/dbraw/zinc/89/78/97/989897897.db2.gz BCTGEQDNZZAAKC-MQSCRBSSSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000465535366 989897906 /nfs/dbraw/zinc/89/79/06/989897906.db2.gz BCTGEQDNZZAAKC-MQSCRBSSSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N(C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000465536990 989900942 /nfs/dbraw/zinc/90/09/42/989900942.db2.gz FXQBONJHFUPACK-SRYPRDQNSA-N 2 1 400.611 3.789 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000465536990 989900951 /nfs/dbraw/zinc/90/09/51/989900951.db2.gz FXQBONJHFUPACK-SRYPRDQNSA-N 2 1 400.611 3.789 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000465536990 989900973 /nfs/dbraw/zinc/90/09/73/989900973.db2.gz FXQBONJHFUPACK-SRYPRDQNSA-N 2 1 400.611 3.789 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000465557311 989921226 /nfs/dbraw/zinc/92/12/26/989921226.db2.gz GAMJRHFIXIVUHP-APWZRJJASA-N 2 1 414.516 3.824 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)C1 ZINC000465558321 989923001 /nfs/dbraw/zinc/92/30/01/989923001.db2.gz OPQYAIVNLCCZQU-RTWAWAEBSA-N 2 1 400.611 3.792 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000465558321 989923010 /nfs/dbraw/zinc/92/30/10/989923010.db2.gz OPQYAIVNLCCZQU-RTWAWAEBSA-N 2 1 400.611 3.792 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000465558321 989923019 /nfs/dbraw/zinc/92/30/19/989923019.db2.gz OPQYAIVNLCCZQU-RTWAWAEBSA-N 2 1 400.611 3.792 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)NCc3ccccc3C[NH+]3CCCCC3)CC2)[nH+]c1 ZINC000465605214 989987884 /nfs/dbraw/zinc/98/78/84/989987884.db2.gz QXWWOIOYEURGSX-UHFFFAOYSA-N 2 1 421.589 3.844 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000465611561 989996993 /nfs/dbraw/zinc/99/69/93/989996993.db2.gz VPLDRZOSUHFDOU-YADHBBJMSA-N 2 1 400.611 3.947 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000465611561 989996999 /nfs/dbraw/zinc/99/69/99/989996999.db2.gz VPLDRZOSUHFDOU-YADHBBJMSA-N 2 1 400.611 3.947 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000465611561 989997008 /nfs/dbraw/zinc/99/70/08/989997008.db2.gz VPLDRZOSUHFDOU-YADHBBJMSA-N 2 1 400.611 3.947 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccccc1OC1CCCC1 ZINC000465646866 990033017 /nfs/dbraw/zinc/03/30/17/990033017.db2.gz SYJKNWIURDUAGE-NRFANRHFSA-N 2 1 416.610 3.566 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1oc2ccccc2c1C ZINC000465650845 990037154 /nfs/dbraw/zinc/03/71/54/990037154.db2.gz DATHXGFQGIJJML-RBUKOAKNSA-N 2 1 400.567 3.860 20 0 HHADMP C[C@H](CNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1CCc2ccccc2C1 ZINC000465691075 990076774 /nfs/dbraw/zinc/07/67/74/990076774.db2.gz JBYIQDSEVOCEAQ-FGZHOGPDSA-N 2 1 420.601 3.739 20 0 HHADMP C[C@H](CNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000465691075 990076780 /nfs/dbraw/zinc/07/67/80/990076780.db2.gz JBYIQDSEVOCEAQ-FGZHOGPDSA-N 2 1 420.601 3.739 20 0 HHADMP C[C@H](CNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000465691075 990076788 /nfs/dbraw/zinc/07/67/88/990076788.db2.gz JBYIQDSEVOCEAQ-FGZHOGPDSA-N 2 1 420.601 3.739 20 0 HHADMP C[C@@H](CNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1CCc2ccccc2C1 ZINC000465691077 990077289 /nfs/dbraw/zinc/07/72/89/990077289.db2.gz JBYIQDSEVOCEAQ-VXKWHMMOSA-N 2 1 420.601 3.739 20 0 HHADMP C[C@@H](CNC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000465691077 990077302 /nfs/dbraw/zinc/07/73/02/990077302.db2.gz JBYIQDSEVOCEAQ-VXKWHMMOSA-N 2 1 420.601 3.739 20 0 HHADMP C[C@@H](CNC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000465691077 990077313 /nfs/dbraw/zinc/07/73/13/990077313.db2.gz JBYIQDSEVOCEAQ-VXKWHMMOSA-N 2 1 420.601 3.739 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)C1 ZINC000465695385 990081631 /nfs/dbraw/zinc/08/16/31/990081631.db2.gz SCDACMSVAAFIER-RBBKRZOGSA-N 2 1 416.610 3.596 20 0 HHADMP C[C@@H]1CCC[C@](CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)([NH+](C)C)C1 ZINC000465704315 990090967 /nfs/dbraw/zinc/09/09/67/990090967.db2.gz GZZPFHUWBNERPK-VFSLUADLSA-N 2 1 406.640 3.941 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000465720269 990105799 /nfs/dbraw/zinc/10/57/99/990105799.db2.gz OECVPQHJARCGGS-GGAORHGYSA-N 2 1 400.611 3.833 20 0 HHADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000465724701 990110419 /nfs/dbraw/zinc/11/04/19/990110419.db2.gz NQINVCPYROKMRF-ONTIZHBOSA-N 2 1 414.619 3.603 20 0 HHADMP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000472056897 990221568 /nfs/dbraw/zinc/22/15/68/990221568.db2.gz AQAAFJQQMGFUIS-GHTZIAJQSA-N 2 1 424.992 3.989 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NCC[C@@H](C)[N@H+](C)Cc3ccccc3)CC2)cs1 ZINC000472060917 990224676 /nfs/dbraw/zinc/22/46/76/990224676.db2.gz ZGEXYXBNHYLVPE-GOSISDBHSA-N 2 1 414.619 3.690 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NCC[C@@H](C)[N@@H+](C)Cc3ccccc3)CC2)cs1 ZINC000472060917 990224686 /nfs/dbraw/zinc/22/46/86/990224686.db2.gz ZGEXYXBNHYLVPE-GOSISDBHSA-N 2 1 414.619 3.690 20 0 HHADMP C[C@H](CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000465872578 990986189 /nfs/dbraw/zinc/98/61/89/990986189.db2.gz IJXIFDAXZCJOJU-ZJSXRUAMSA-N 2 1 408.590 3.670 20 0 HHADMP C[C@H](CNC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000465872578 990986199 /nfs/dbraw/zinc/98/61/99/990986199.db2.gz IJXIFDAXZCJOJU-ZJSXRUAMSA-N 2 1 408.590 3.670 20 0 HHADMP C[C@H](CNC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000465872578 990986210 /nfs/dbraw/zinc/98/62/10/990986210.db2.gz IJXIFDAXZCJOJU-ZJSXRUAMSA-N 2 1 408.590 3.670 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000465888365 991012443 /nfs/dbraw/zinc/01/24/43/991012443.db2.gz CXBPDLFRDUZDJR-YADHBBJMSA-N 2 1 404.574 3.724 20 0 HHADMP CCSc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000465890208 991014810 /nfs/dbraw/zinc/01/48/10/991014810.db2.gz NERAMWYMTCSGDH-UYAOXDASSA-N 2 1 406.640 3.917 20 0 HHADMP CCSc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000465890205 991014817 /nfs/dbraw/zinc/01/48/17/991014817.db2.gz NERAMWYMTCSGDH-AZUAARDMSA-N 2 1 406.640 3.917 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000466011096 991176413 /nfs/dbraw/zinc/17/64/13/991176413.db2.gz BTXCFJPPGUAPFH-FCHUYYIVSA-N 2 1 402.627 3.906 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000466019700 991187978 /nfs/dbraw/zinc/18/79/78/991187978.db2.gz TYEUIYLJNVRUMX-QFIPXVFZSA-N 2 1 410.562 3.681 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000466019700 991187994 /nfs/dbraw/zinc/18/79/94/991187994.db2.gz TYEUIYLJNVRUMX-QFIPXVFZSA-N 2 1 410.562 3.681 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC[N@@H+]1C ZINC000466049557 991219900 /nfs/dbraw/zinc/21/99/00/991219900.db2.gz LDTXQDQXQSTVFO-OFNKIYASSA-N 2 1 406.574 3.586 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC[N@H+]1C ZINC000466049557 991219907 /nfs/dbraw/zinc/21/99/07/991219907.db2.gz LDTXQDQXQSTVFO-OFNKIYASSA-N 2 1 406.574 3.586 20 0 HHADMP C[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)[C@H]1c1cccs1 ZINC000466073883 991246870 /nfs/dbraw/zinc/24/68/70/991246870.db2.gz FLFWDCXWNFMOCO-ICSRJNTNSA-N 2 1 406.640 3.894 20 0 HHADMP C[NH+]1CCC[C@@H](CNC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)[C@H]1c1cccs1 ZINC000466079659 991255841 /nfs/dbraw/zinc/25/58/41/991255841.db2.gz PJFDWVHBZZTDRG-VWPQPMDRSA-N 2 1 412.603 3.829 20 0 HHADMP C[NH+]1CCC[C@@H](CNC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)[C@H]1c1cccs1 ZINC000466079659 991255852 /nfs/dbraw/zinc/25/58/52/991255852.db2.gz PJFDWVHBZZTDRG-VWPQPMDRSA-N 2 1 412.603 3.829 20 0 HHADMP C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[C@@H](c2ccccc2)C1 ZINC000466079659 991255865 /nfs/dbraw/zinc/25/58/65/991255865.db2.gz PJFDWVHBZZTDRG-VWPQPMDRSA-N 2 1 412.603 3.829 20 0 HHADMP C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[C@@H](c2ccccc2)C1 ZINC000466079659 991255876 /nfs/dbraw/zinc/25/58/76/991255876.db2.gz PJFDWVHBZZTDRG-VWPQPMDRSA-N 2 1 412.603 3.829 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)[C@@H]1c1cccs1 ZINC000466084604 991263381 /nfs/dbraw/zinc/26/33/81/991263381.db2.gz YNBSWHBLWPYFKI-SVFBPWRDSA-N 2 1 404.624 3.791 20 0 HHADMP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000466085939 991264680 /nfs/dbraw/zinc/26/46/80/991264680.db2.gz STOXPIUMCZQJLD-RBBKRZOGSA-N 2 1 414.619 3.904 20 0 HHADMP C[NH+](C)CCOc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000466097554 991276097 /nfs/dbraw/zinc/27/60/97/991276097.db2.gz HKDAGUGSKXQCMS-LAUBAEHRSA-N 2 1 416.591 3.893 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000466101829 991280873 /nfs/dbraw/zinc/28/08/73/991280873.db2.gz QKOQKGNCIMHUIM-REWPJTCUSA-N 2 1 400.611 3.803 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1F ZINC000466288702 991536926 /nfs/dbraw/zinc/53/69/26/991536926.db2.gz RMMYDVJWINAGKA-UWJYYQICSA-N 2 1 421.520 3.782 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1F ZINC000466288702 991536936 /nfs/dbraw/zinc/53/69/36/991536936.db2.gz RMMYDVJWINAGKA-UWJYYQICSA-N 2 1 421.520 3.782 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC1 ZINC000466290301 991539765 /nfs/dbraw/zinc/53/97/65/991539765.db2.gz XLMRODFYRRWIMY-XMMPIXPASA-N 2 1 412.622 3.805 20 0 HHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000466290301 991539774 /nfs/dbraw/zinc/53/97/74/991539774.db2.gz XLMRODFYRRWIMY-XMMPIXPASA-N 2 1 412.622 3.805 20 0 HHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000466290301 991539791 /nfs/dbraw/zinc/53/97/91/991539791.db2.gz XLMRODFYRRWIMY-XMMPIXPASA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000466512283 991798136 /nfs/dbraw/zinc/79/81/36/991798136.db2.gz DRKKXQOVZGGNLB-TZIWHRDSSA-N 2 1 410.562 3.548 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C[N@H+]1Cc1ccccc1 ZINC000466532433 991832619 /nfs/dbraw/zinc/83/26/19/991832619.db2.gz ITWDBXIRVCAVIE-NQHRYMMQSA-N 2 1 420.601 3.813 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C[NH+]1Cc1ccccc1 ZINC000466532433 991832629 /nfs/dbraw/zinc/83/26/29/991832629.db2.gz ITWDBXIRVCAVIE-NQHRYMMQSA-N 2 1 420.601 3.813 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[NH+]1Cc1ccccc1 ZINC000466532433 991832638 /nfs/dbraw/zinc/83/26/38/991832638.db2.gz ITWDBXIRVCAVIE-NQHRYMMQSA-N 2 1 420.601 3.813 20 0 HHADMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)CC1 ZINC000466730966 992041337 /nfs/dbraw/zinc/04/13/37/992041337.db2.gz JKFGXNXIWBODBA-RTBURBONSA-N 2 1 415.578 3.821 20 0 HHADMP FC(F)(F)c1ccc(-c2noc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)n2)cc1 ZINC000466915702 992230188 /nfs/dbraw/zinc/23/01/88/992230188.db2.gz BLJLXGMHGHFSTL-UHFFFAOYSA-N 2 1 424.467 3.832 20 0 HHADMP COC(=O)c1sc2cccc(F)c2c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466930749 992242790 /nfs/dbraw/zinc/24/27/90/992242790.db2.gz KFGWZBCJGHDHTB-UHFFFAOYSA-N 2 1 420.550 3.904 20 0 HHADMP C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000467086519 992391589 /nfs/dbraw/zinc/39/15/89/992391589.db2.gz UVAUSKFLYBGBSB-SQJMNOBHSA-N 2 1 422.617 3.985 20 0 HHADMP O=C(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000467210731 992535539 /nfs/dbraw/zinc/53/55/39/992535539.db2.gz HDNVJVJLTNSIAO-UHFFFAOYSA-N 2 1 423.557 3.994 20 0 HHADMP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000467360470 992678953 /nfs/dbraw/zinc/67/89/53/992678953.db2.gz XZSXSBVORMGCSS-XZOQPEGZSA-N 2 1 406.574 3.594 20 0 HHADMP C[NH+](C)C1(C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CCOCC1 ZINC000467425197 992725204 /nfs/dbraw/zinc/72/52/04/992725204.db2.gz YIKABLBBCYQZGO-IBGZPJMESA-N 2 1 411.384 3.617 20 0 HHADMP CN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000467776143 993015882 /nfs/dbraw/zinc/01/58/82/993015882.db2.gz KHIHTRMWQHKJGK-RUZDIDTESA-N 2 1 420.601 3.957 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@H]1c1ccccc1 ZINC000472116373 993167850 /nfs/dbraw/zinc/16/78/50/993167850.db2.gz XIJMQZFUDGIYMM-GHBBCFCZSA-N 2 1 424.511 3.536 20 0 HHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000472258476 993283747 /nfs/dbraw/zinc/28/37/47/993283747.db2.gz KEQNVNFFQKQGRB-WBVHZDCISA-N 2 1 416.393 3.603 20 0 HHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000472258476 993283753 /nfs/dbraw/zinc/28/37/53/993283753.db2.gz KEQNVNFFQKQGRB-WBVHZDCISA-N 2 1 416.393 3.603 20 0 HHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000472290760 993306715 /nfs/dbraw/zinc/30/67/15/993306715.db2.gz IKIYRZDGDLFSKQ-MRXNPFEDSA-N 2 1 402.366 3.755 20 0 HHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000472295388 993309770 /nfs/dbraw/zinc/30/97/70/993309770.db2.gz RAAVQKSMEWBGQB-HNNXBMFYSA-N 2 1 413.349 3.976 20 0 HHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000472295388 993309777 /nfs/dbraw/zinc/30/97/77/993309777.db2.gz RAAVQKSMEWBGQB-HNNXBMFYSA-N 2 1 413.349 3.976 20 0 HHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472297207 993310752 /nfs/dbraw/zinc/31/07/52/993310752.db2.gz KKZRMPCQHJPAPS-QHCPKHFHSA-N 2 1 408.590 3.718 20 0 HHADMP C[NH+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472297207 993310758 /nfs/dbraw/zinc/31/07/58/993310758.db2.gz KKZRMPCQHJPAPS-QHCPKHFHSA-N 2 1 408.590 3.718 20 0 HHADMP C[NH+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472297207 993310765 /nfs/dbraw/zinc/31/07/65/993310765.db2.gz KKZRMPCQHJPAPS-QHCPKHFHSA-N 2 1 408.590 3.718 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)[C@@H]1c1ccccc1 ZINC000472306123 993318451 /nfs/dbraw/zinc/31/84/51/993318451.db2.gz PJDRTUGOZDQTCH-GOTSBHOMSA-N 2 1 424.614 3.845 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000472384082 993379028 /nfs/dbraw/zinc/37/90/28/993379028.db2.gz GQGKBNWFIRTFTN-DEOSSOPVSA-N 2 1 412.622 3.806 20 0 HHADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000472384082 993379034 /nfs/dbraw/zinc/37/90/34/993379034.db2.gz GQGKBNWFIRTFTN-DEOSSOPVSA-N 2 1 412.622 3.806 20 0 HHADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000472384082 993379039 /nfs/dbraw/zinc/37/90/39/993379039.db2.gz GQGKBNWFIRTFTN-DEOSSOPVSA-N 2 1 412.622 3.806 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H](C)O1 ZINC000480717493 993586183 /nfs/dbraw/zinc/58/61/83/993586183.db2.gz SWAJLWRYADCJSZ-TXTKFYIRSA-N 2 1 413.606 3.567 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H](C)O1 ZINC000480717493 993586194 /nfs/dbraw/zinc/58/61/94/993586194.db2.gz SWAJLWRYADCJSZ-TXTKFYIRSA-N 2 1 413.606 3.567 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000480728548 993596233 /nfs/dbraw/zinc/59/62/33/993596233.db2.gz QHMHQCHGUOLFBD-HSALFYBXSA-N 2 1 404.562 3.991 20 0 HHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCCOc3ccc(OC)cc32)CC1 ZINC000480735535 993601548 /nfs/dbraw/zinc/60/15/48/993601548.db2.gz KUHJJOJNJJYOAQ-DEOSSOPVSA-N 2 1 409.574 3.836 20 0 HHADMP COc1ccc([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1NC(C)=O ZINC000480779471 993645982 /nfs/dbraw/zinc/64/59/82/993645982.db2.gz LDOXMKHIEXZRKA-YADARESESA-N 2 1 424.589 3.683 20 0 HHADMP COc1cc(F)c([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1OC ZINC000480797801 993666954 /nfs/dbraw/zinc/66/69/54/993666954.db2.gz RNHOMIFEZLSWMK-PGRDOPGGSA-N 2 1 415.553 3.872 20 0 HHADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000480834091 993709440 /nfs/dbraw/zinc/70/94/40/993709440.db2.gz OEHAAZDTQWOIBV-XMMPIXPASA-N 2 1 405.517 3.996 20 0 HHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)[C@H](C)C1 ZINC000480904686 993760390 /nfs/dbraw/zinc/76/03/90/993760390.db2.gz YITSPHCBWNHDQD-DENIHFKCSA-N 2 1 410.562 3.561 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)[C@H](C)C1 ZINC000480904686 993760400 /nfs/dbraw/zinc/76/04/00/993760400.db2.gz YITSPHCBWNHDQD-DENIHFKCSA-N 2 1 410.562 3.561 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1cc2c(s1)CCC2 ZINC000480903920 993760922 /nfs/dbraw/zinc/76/09/22/993760922.db2.gz ATIFIXBVVQABCH-QGZVFWFLSA-N 2 1 413.587 3.748 20 0 HHADMP Cc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)N2CCOCC2)cc1 ZINC000480906480 993763047 /nfs/dbraw/zinc/76/30/47/993763047.db2.gz BMDVODFWANFAOQ-HRNNMHKYSA-N 2 1 407.602 3.869 20 0 HHADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]3CCOCC3)c1)CCC2 ZINC000480909054 993765056 /nfs/dbraw/zinc/76/50/56/993765056.db2.gz GXYUTQVLUXOVRH-XMMPIXPASA-N 2 1 423.557 3.523 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1cnc2ccsc2c1 ZINC000480911033 993766939 /nfs/dbraw/zinc/76/69/39/993766939.db2.gz KXVWISFNJYHPLX-KRWDZBQOSA-N 2 1 424.570 3.808 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000481038216 993882375 /nfs/dbraw/zinc/88/23/75/993882375.db2.gz LXXLZAIUCJAWAL-SPEDKVCISA-N 2 1 401.576 3.619 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000481038216 993882384 /nfs/dbraw/zinc/88/23/84/993882384.db2.gz LXXLZAIUCJAWAL-SPEDKVCISA-N 2 1 401.576 3.619 20 0 HHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(-c4c(OC)ccc5ccccc54)no3)C2)CC1 ZINC000481122048 993957400 /nfs/dbraw/zinc/95/74/00/993957400.db2.gz VJMFBRMFHTUZPH-HXUWFJFHSA-N 2 1 420.557 3.715 20 0 HHADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1 ZINC000473053052 993973298 /nfs/dbraw/zinc/97/32/98/993973298.db2.gz RKXIMGXHLUEDFL-UHFFFAOYSA-N 2 1 420.001 3.706 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1 ZINC000473053052 993973309 /nfs/dbraw/zinc/97/33/09/993973309.db2.gz RKXIMGXHLUEDFL-UHFFFAOYSA-N 2 1 420.001 3.706 20 0 HHADMP Cc1ccc(CN(C(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C2CC2)cc1 ZINC000481187028 994019720 /nfs/dbraw/zinc/01/97/20/994019720.db2.gz GSLLIFNPFDUPNY-OFVILXPXSA-N 2 1 405.586 3.986 20 0 HHADMP Cc1ccc(CN(C(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C2CC2)cc1 ZINC000481187028 994019726 /nfs/dbraw/zinc/01/97/26/994019726.db2.gz GSLLIFNPFDUPNY-OFVILXPXSA-N 2 1 405.586 3.986 20 0 HHADMP Cc1ccc(NC(=O)NC(=O)[C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)c1 ZINC000481190830 994022909 /nfs/dbraw/zinc/02/29/09/994022909.db2.gz PEZBVRNTGICDIR-ZRCGQRJVSA-N 2 1 422.573 3.840 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000481192322 994025666 /nfs/dbraw/zinc/02/56/66/994025666.db2.gz SLUAEQSUSPAEEL-NQSCKRDGSA-N 2 1 422.491 3.945 20 0 HHADMP CCOc1ccc(CN(C)C(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481204916 994038058 /nfs/dbraw/zinc/03/80/58/994038058.db2.gz VMJDOVNPLKYXHE-GBXCKJPGSA-N 2 1 409.574 3.544 20 0 HHADMP CCOc1ccc(CN(C)C(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481204916 994038068 /nfs/dbraw/zinc/03/80/68/994038068.db2.gz VMJDOVNPLKYXHE-GBXCKJPGSA-N 2 1 409.574 3.544 20 0 HHADMP O=C([C@@H]1CC[N@@H+]1Cc1ccccc1)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000473496777 994342683 /nfs/dbraw/zinc/34/26/83/994342683.db2.gz GTSQLVZJPHWASI-AHWVRZQESA-N 2 1 403.570 3.776 20 0 HHADMP O=C([C@@H]1CC[N@H+]1Cc1ccccc1)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000473496777 994342692 /nfs/dbraw/zinc/34/26/92/994342692.db2.gz GTSQLVZJPHWASI-AHWVRZQESA-N 2 1 403.570 3.776 20 0 HHADMP O=C([C@@H]1CC[NH+]1Cc1ccccc1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473496777 994342698 /nfs/dbraw/zinc/34/26/98/994342698.db2.gz GTSQLVZJPHWASI-AHWVRZQESA-N 2 1 403.570 3.776 20 0 HHADMP O=C([C@@H]1CC[NH+]1Cc1ccccc1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473496777 994342708 /nfs/dbraw/zinc/34/27/08/994342708.db2.gz GTSQLVZJPHWASI-AHWVRZQESA-N 2 1 403.570 3.776 20 0 HHADMP CCN(C(=O)NC[C@@H]1CC[NH+](CC(C)C)C1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473746594 994651044 /nfs/dbraw/zinc/65/10/44/994651044.db2.gz HECISPNXNWHFNW-QNWVGRARSA-N 2 1 400.611 3.831 20 0 HHADMP CCN(C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000473746594 994651050 /nfs/dbraw/zinc/65/10/50/994651050.db2.gz HECISPNXNWHFNW-QNWVGRARSA-N 2 1 400.611 3.831 20 0 HHADMP CCN(C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000473746594 994651052 /nfs/dbraw/zinc/65/10/52/994651052.db2.gz HECISPNXNWHFNW-QNWVGRARSA-N 2 1 400.611 3.831 20 0 HHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000481810024 994659352 /nfs/dbraw/zinc/65/93/52/994659352.db2.gz PEWXNSZAHWASKS-NRFANRHFSA-N 2 1 401.580 3.614 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(C(F)(F)F)c1C ZINC000473822476 994750928 /nfs/dbraw/zinc/75/09/28/994750928.db2.gz OMASPYKQKZKJSF-MRXNPFEDSA-N 2 1 400.489 3.894 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)N[C@H]3CC[N@H+]([C@@H](C)c4ccccc4)C3)c2)CC1 ZINC000473835364 994768502 /nfs/dbraw/zinc/76/85/02/994768502.db2.gz KMBZMZXDVNAMKI-REWPJTCUSA-N 2 1 421.589 3.786 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)NCCCC[N@H+]3CCCC[C@H]3C)c2)CC1 ZINC000473839421 994774455 /nfs/dbraw/zinc/77/44/55/994774455.db2.gz IPARYJZNVWXBOZ-HXUWFJFHSA-N 2 1 401.599 3.605 20 0 HHADMP CC[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481912855 994785501 /nfs/dbraw/zinc/78/55/01/994785501.db2.gz ZJBRDQZTMVENJZ-QAPCUYQASA-N 2 1 402.004 3.553 20 0 HHADMP CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481912855 994785510 /nfs/dbraw/zinc/78/55/10/994785510.db2.gz ZJBRDQZTMVENJZ-QAPCUYQASA-N 2 1 402.004 3.553 20 0 HHADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481915212 994786778 /nfs/dbraw/zinc/78/67/78/994786778.db2.gz LMQSJINTAFCPMI-VQIMIIECSA-N 2 1 416.031 3.801 20 0 HHADMP CCN(C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473962913 994943765 /nfs/dbraw/zinc/94/37/65/994943765.db2.gz HDCVTAPICLNPAA-FUDKSRODSA-N 2 1 400.611 3.974 20 0 HHADMP CCN(C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000473962913 994943772 /nfs/dbraw/zinc/94/37/72/994943772.db2.gz HDCVTAPICLNPAA-FUDKSRODSA-N 2 1 400.611 3.974 20 0 HHADMP CCN(C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000473962913 994943783 /nfs/dbraw/zinc/94/37/83/994943783.db2.gz HDCVTAPICLNPAA-FUDKSRODSA-N 2 1 400.611 3.974 20 0 HHADMP CCN(C(=O)NCCC1CC[NH+](CC)CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000474027647 995019218 /nfs/dbraw/zinc/01/92/18/995019218.db2.gz JJKCZYMYLVLEJM-NFBKMPQASA-N 2 1 400.611 3.975 20 0 HHADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000474046277 995037538 /nfs/dbraw/zinc/03/75/38/995037538.db2.gz QYAFYIWNZLTQOC-QHCPKHFHSA-N 2 1 407.558 3.595 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000482157699 995112689 /nfs/dbraw/zinc/11/26/89/995112689.db2.gz NCDFOLFDQLUPFE-MDZRGWNJSA-N 2 1 415.500 3.759 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000482157699 995112696 /nfs/dbraw/zinc/11/26/96/995112696.db2.gz NCDFOLFDQLUPFE-MDZRGWNJSA-N 2 1 415.500 3.759 20 0 HHADMP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000482237575 995220223 /nfs/dbraw/zinc/22/02/23/995220223.db2.gz FJFGURZNNHORQH-MRXNPFEDSA-N 2 1 403.954 3.881 20 0 HHADMP CC(=O)N1CC[NH+](CCOc2ccc(CC[NH2+][C@@H](C)c3ccc(C)cc3C)cc2)CC1 ZINC000482250552 995230466 /nfs/dbraw/zinc/23/04/66/995230466.db2.gz SBDIFDFUYCUSOV-QFIPXVFZSA-N 2 1 423.601 3.740 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cc(Br)ccc1F ZINC000482251188 995231302 /nfs/dbraw/zinc/23/13/02/995231302.db2.gz WURZGDHOWXVMJL-AWEZNQCLSA-N 2 1 422.342 3.730 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1nc(-c2ccccc2)cs1 ZINC000482257440 995235886 /nfs/dbraw/zinc/23/58/86/995235886.db2.gz CUKQOLRVHVLXKD-KRWDZBQOSA-N 2 1 408.571 3.952 20 0 HHADMP O=C(NC1CC[NH+](CC2CC2)CC1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482284521 995263521 /nfs/dbraw/zinc/26/35/21/995263521.db2.gz BQFLEQLVEUOPGZ-UPVQGACJSA-N 2 1 410.606 3.557 20 0 HHADMP CN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474331755 995313541 /nfs/dbraw/zinc/31/35/41/995313541.db2.gz REIHRDRIJQAPGK-DEOSSOPVSA-N 2 1 406.574 3.567 20 0 HHADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000482353964 995334400 /nfs/dbraw/zinc/33/44/00/995334400.db2.gz QYPITLLVRJQTIF-SFHVURJKSA-N 2 1 400.636 3.967 20 0 HHADMP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000474361423 995341642 /nfs/dbraw/zinc/34/16/42/995341642.db2.gz CNTNHKWFZRAJRN-XPPIMPSXSA-N 2 1 412.622 3.776 20 0 HHADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1OC ZINC000474465936 995428325 /nfs/dbraw/zinc/42/83/25/995428325.db2.gz BAKSSMOTSMQNNH-PMACEKPBSA-N 2 1 411.590 3.733 20 0 HHADMP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000482436145 995428685 /nfs/dbraw/zinc/42/86/85/995428685.db2.gz IPKNQDIDROLMGE-CTNGQTDRSA-N 2 1 415.603 3.663 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000474511576 995472716 /nfs/dbraw/zinc/47/27/16/995472716.db2.gz CMSHFKMEOHXLNF-RMNGQBEXSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000474511576 995472719 /nfs/dbraw/zinc/47/27/19/995472719.db2.gz CMSHFKMEOHXLNF-RMNGQBEXSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000474511576 995472722 /nfs/dbraw/zinc/47/27/22/995472722.db2.gz CMSHFKMEOHXLNF-RMNGQBEXSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000474516421 995480144 /nfs/dbraw/zinc/48/01/44/995480144.db2.gz JRKBTFBYPWCQGM-SKWRMQMOSA-N 2 1 400.611 3.659 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000474516421 995480147 /nfs/dbraw/zinc/48/01/47/995480147.db2.gz JRKBTFBYPWCQGM-SKWRMQMOSA-N 2 1 400.611 3.659 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000474516421 995480150 /nfs/dbraw/zinc/48/01/50/995480150.db2.gz JRKBTFBYPWCQGM-SKWRMQMOSA-N 2 1 400.611 3.659 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)C1 ZINC000482532944 995542005 /nfs/dbraw/zinc/54/20/05/995542005.db2.gz LCVIACODOUUOII-WMZOPIPTSA-N 2 1 416.566 3.504 20 0 HHADMP Cc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000474634334 995580371 /nfs/dbraw/zinc/58/03/71/995580371.db2.gz OWKSKIVAPHGNIW-NRFANRHFSA-N 2 1 410.562 3.674 20 0 HHADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482643710 995638607 /nfs/dbraw/zinc/63/86/07/995638607.db2.gz QGWQQJPTZHOXKV-WSCWJOSJSA-N 2 1 409.549 3.936 20 0 HHADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc(F)ccc1F ZINC000482645625 995641237 /nfs/dbraw/zinc/64/12/37/995641237.db2.gz HVBUYWRQTNHSSO-AVRDEDQJSA-N 2 1 401.501 3.903 20 0 HHADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc(F)ccc1F ZINC000482645625 995641247 /nfs/dbraw/zinc/64/12/47/995641247.db2.gz HVBUYWRQTNHSSO-AVRDEDQJSA-N 2 1 401.501 3.903 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(OC(F)F)c1 ZINC000482647417 995641957 /nfs/dbraw/zinc/64/19/57/995641957.db2.gz AYUHKLAAYFGZAI-OXQOHEQNSA-N 2 1 417.500 3.836 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1OC(F)F ZINC000482653341 995646886 /nfs/dbraw/zinc/64/68/86/995646886.db2.gz WZTUWKKUECYLQR-QFBILLFUSA-N 2 1 417.500 3.836 20 0 HHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000474821633 995727402 /nfs/dbraw/zinc/72/74/02/995727402.db2.gz KWBAGQHBWIWRBA-LSWJPFSZSA-N 2 1 401.570 3.903 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000474821633 995727409 /nfs/dbraw/zinc/72/74/09/995727409.db2.gz KWBAGQHBWIWRBA-LSWJPFSZSA-N 2 1 401.570 3.903 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000474821633 995727414 /nfs/dbraw/zinc/72/74/14/995727414.db2.gz KWBAGQHBWIWRBA-LSWJPFSZSA-N 2 1 401.570 3.903 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000474821633 995727426 /nfs/dbraw/zinc/72/74/26/995727426.db2.gz KWBAGQHBWIWRBA-LSWJPFSZSA-N 2 1 401.570 3.903 20 0 HHADMP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474830325 995735957 /nfs/dbraw/zinc/73/59/57/995735957.db2.gz HQVVCXOWGXCUEA-XMMPIXPASA-N 2 1 409.549 3.819 20 0 HHADMP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474830325 995735966 /nfs/dbraw/zinc/73/59/66/995735966.db2.gz HQVVCXOWGXCUEA-XMMPIXPASA-N 2 1 409.549 3.819 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(OC(F)F)cc1 ZINC000482815306 995768504 /nfs/dbraw/zinc/76/85/04/995768504.db2.gz NDFIUNBJVZVHMZ-OXJNMPFZSA-N 2 1 417.500 3.836 20 0 HHADMP Cc1cccc(C[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C2CC2)c1 ZINC000482816978 995769074 /nfs/dbraw/zinc/76/90/74/995769074.db2.gz CTBBJDUDUHKNNC-RPBOFIJWSA-N 2 1 405.586 3.803 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3Br)C2)[C@H](C)C1 ZINC000482878565 995811832 /nfs/dbraw/zinc/81/18/32/995811832.db2.gz UZQAYKPECRAALW-HBFSDRIKSA-N 2 1 424.427 3.754 20 0 HHADMP Cc1nc(C[NH+]2CCC(C[NH2+]C3CCC4(CC3)c3ccccc3NC4=O)CC2)oc1C ZINC000482881310 995814077 /nfs/dbraw/zinc/81/40/77/995814077.db2.gz DDPCMVBNQNROOU-UHFFFAOYSA-N 2 1 422.573 3.926 20 0 HHADMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1OCc1ccccc1 ZINC000482882747 995815031 /nfs/dbraw/zinc/81/50/31/995815031.db2.gz BROGCBIGTSLOSN-HXUWFJFHSA-N 2 1 409.574 3.859 20 0 HHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1OC ZINC000474947637 995818727 /nfs/dbraw/zinc/81/87/27/995818727.db2.gz YWJZJISTFBZJJM-PWHSHALESA-N 2 1 412.574 3.942 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000475105706 995925004 /nfs/dbraw/zinc/92/50/04/995925004.db2.gz DYTNOSOJVKLMKL-RUZDIDTESA-N 2 1 412.622 3.805 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1)c1ccccc1 ZINC000475137649 995946878 /nfs/dbraw/zinc/94/68/78/995946878.db2.gz KNRPTJMLCCKHIX-RXVVDRJESA-N 2 1 424.520 3.565 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1)c1ccccc1 ZINC000475137649 995946884 /nfs/dbraw/zinc/94/68/84/995946884.db2.gz KNRPTJMLCCKHIX-RXVVDRJESA-N 2 1 424.520 3.565 20 0 HHADMP CCN(C(=O)NCc1cccc(C[NH+](C)CC)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475156960 995958953 /nfs/dbraw/zinc/95/89/53/995958953.db2.gz PEDAYGMSBANZQM-XMMPIXPASA-N 2 1 408.590 3.944 20 0 HHADMP CCN(C(=O)NCc1cccc(C[N@H+](C)CC)c1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475156960 995958956 /nfs/dbraw/zinc/95/89/56/995958956.db2.gz PEDAYGMSBANZQM-XMMPIXPASA-N 2 1 408.590 3.944 20 0 HHADMP CCN(C(=O)NCc1cccc(C[N@@H+](C)CC)c1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475156960 995958959 /nfs/dbraw/zinc/95/89/59/995958959.db2.gz PEDAYGMSBANZQM-XMMPIXPASA-N 2 1 408.590 3.944 20 0 HHADMP CCN(C(=O)NCCCCC[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475182374 995978548 /nfs/dbraw/zinc/97/85/48/995978548.db2.gz KDIDBLBZUJRSJU-QHCPKHFHSA-N 2 1 400.611 3.949 20 0 HHADMP COc1c[nH+]ccc1N1CC[NH+](CCC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000483229178 996048981 /nfs/dbraw/zinc/04/89/81/996048981.db2.gz NSEAGFYIEDCNDH-UHFFFAOYSA-N 2 1 416.525 3.908 20 0 HHADMP CC(C)[NH+]1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000475297068 996052888 /nfs/dbraw/zinc/05/28/88/996052888.db2.gz KNSOFWCRNWBWEQ-RUZDIDTESA-N 2 1 420.601 3.564 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000483523476 996231875 /nfs/dbraw/zinc/23/18/75/996231875.db2.gz KMOPITFYFSLYCQ-SFHVURJKSA-N 2 1 406.546 3.637 20 0 HHADMP O[C@H](COCc1ccccc1F)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475727016 996327013 /nfs/dbraw/zinc/32/70/13/996327013.db2.gz BRIGFQAPHRIBGC-UKILVPOCSA-N 2 1 412.549 3.691 20 0 HHADMP O[C@H](COCc1ccccc1F)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475727016 996327020 /nfs/dbraw/zinc/32/70/20/996327020.db2.gz BRIGFQAPHRIBGC-UKILVPOCSA-N 2 1 412.549 3.691 20 0 HHADMP O[C@H](COCc1ccccc1F)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475727016 996327027 /nfs/dbraw/zinc/32/70/27/996327027.db2.gz BRIGFQAPHRIBGC-UKILVPOCSA-N 2 1 412.549 3.691 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C[C@@H]1C ZINC000483736243 996357583 /nfs/dbraw/zinc/35/75/83/996357583.db2.gz XWUFURULOHRTGX-NZQKXSOJSA-N 2 1 400.611 3.933 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000483746031 996362686 /nfs/dbraw/zinc/36/26/86/996362686.db2.gz SIOFRUSWNZQYRZ-XGHQBKJUSA-N 2 1 404.551 3.790 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000483746031 996362693 /nfs/dbraw/zinc/36/26/93/996362693.db2.gz SIOFRUSWNZQYRZ-XGHQBKJUSA-N 2 1 404.551 3.790 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOc3ccc(I)cc32)CC[N@@H+]1C ZINC000483748921 996363864 /nfs/dbraw/zinc/36/38/64/996363864.db2.gz RTGPVXQXPNWFAE-IVMMDQJWSA-N 2 1 400.304 3.577 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOc3ccc(I)cc32)CC[N@H+]1C ZINC000483748921 996363871 /nfs/dbraw/zinc/36/38/71/996363871.db2.gz RTGPVXQXPNWFAE-IVMMDQJWSA-N 2 1 400.304 3.577 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C(C)C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000483877750 996443741 /nfs/dbraw/zinc/44/37/41/996443741.db2.gz TUDJQIYQJLBHLR-RTWAWAEBSA-N 2 1 408.537 3.661 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C(C)C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000483877750 996443746 /nfs/dbraw/zinc/44/37/46/996443746.db2.gz TUDJQIYQJLBHLR-RTWAWAEBSA-N 2 1 408.537 3.661 20 0 HHADMP COc1cccc([C@@H]2[C@@H](NC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC[N@H+]2C2CC2)c1 ZINC000483972873 996499582 /nfs/dbraw/zinc/49/95/82/996499582.db2.gz IWEVXTSBBZESON-LEWJYISDSA-N 2 1 414.594 3.581 20 0 HHADMP C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000483979279 996503129 /nfs/dbraw/zinc/50/31/29/996503129.db2.gz PNLFWGVALONTNU-ZFGGDYGUSA-N 2 1 420.601 3.643 20 0 HHADMP C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000483979279 996503134 /nfs/dbraw/zinc/50/31/34/996503134.db2.gz PNLFWGVALONTNU-ZFGGDYGUSA-N 2 1 420.601 3.643 20 0 HHADMP C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000483979279 996503136 /nfs/dbraw/zinc/50/31/36/996503136.db2.gz PNLFWGVALONTNU-ZFGGDYGUSA-N 2 1 420.601 3.643 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC000476041664 996561156 /nfs/dbraw/zinc/56/11/56/996561156.db2.gz HYKMDXRGTRRNEX-NOZRDPDXSA-N 2 1 412.622 3.805 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000476041664 996561161 /nfs/dbraw/zinc/56/11/61/996561161.db2.gz HYKMDXRGTRRNEX-NOZRDPDXSA-N 2 1 412.622 3.805 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000476041664 996561170 /nfs/dbraw/zinc/56/11/70/996561170.db2.gz HYKMDXRGTRRNEX-NOZRDPDXSA-N 2 1 412.622 3.805 20 0 HHADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000484136415 996591399 /nfs/dbraw/zinc/59/13/99/996591399.db2.gz CNQPYJFCIPHTSY-CPJSRVTESA-N 2 1 424.589 3.848 20 0 HHADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000484136415 996591403 /nfs/dbraw/zinc/59/14/03/996591403.db2.gz CNQPYJFCIPHTSY-CPJSRVTESA-N 2 1 424.589 3.848 20 0 HHADMP CC[C@@H]([NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1)c1ccccc1OCC(=O)N(C)C ZINC000484148831 996600113 /nfs/dbraw/zinc/60/01/13/996600113.db2.gz UUTTXQQFIOWTKS-OAQYLSRUSA-N 2 1 410.562 3.567 20 0 HHADMP Cc1c([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)nnn1-c1ccc(C)cc1 ZINC000484301905 996689941 /nfs/dbraw/zinc/68/99/41/996689941.db2.gz WATBKYMTXPNZBG-QGZVFWFLSA-N 2 1 405.550 3.611 20 0 HHADMP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)C2)c1 ZINC000484468580 996788979 /nfs/dbraw/zinc/78/89/79/996788979.db2.gz CBURAPDKZNIBHY-OWHZGTRUSA-N 2 1 409.574 3.783 20 0 HHADMP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)C2)c1 ZINC000484468580 996788987 /nfs/dbraw/zinc/78/89/87/996788987.db2.gz CBURAPDKZNIBHY-OWHZGTRUSA-N 2 1 409.574 3.783 20 0 HHADMP CC(C)[N@H+](Cc1ccc(NC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1)C[C@H]1CCCCO1 ZINC000484656667 996993606 /nfs/dbraw/zinc/99/36/06/996993606.db2.gz RKGZSXRFOMQKID-FYYLOGMGSA-N 2 1 416.610 3.882 20 0 HHADMP COc1cccc([C@@H](CNC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)[NH+]2CCCC2)c1 ZINC000476624011 997144010 /nfs/dbraw/zinc/14/40/10/997144010.db2.gz HZCOJVPRTFKCRQ-GBXCKJPGSA-N 2 1 424.589 3.652 20 0 HHADMP C[C@H]1[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000476906098 997512237 /nfs/dbraw/zinc/51/22/37/997512237.db2.gz MFGDLEMMMPRDEE-RDPSFJRHSA-N 2 1 406.574 3.745 20 0 HHADMP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476983141 997605398 /nfs/dbraw/zinc/60/53/98/997605398.db2.gz KNKCHTVWUSLBNN-VIZSFHNOSA-N 2 1 413.606 3.991 20 0 HHADMP COc1cccc(COC[C@H](O)C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000476986389 997610266 /nfs/dbraw/zinc/61/02/66/997610266.db2.gz PTJXDNBQLKAIMA-NFBKMPQASA-N 2 1 404.595 3.549 20 0 HHADMP COc1cccc(CNC(=O)[C@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000476990987 997617057 /nfs/dbraw/zinc/61/70/57/997617057.db2.gz XZCJSCWRSQJBLJ-PMACEKPBSA-N 2 1 401.595 3.676 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1F ZINC000485304311 997710613 /nfs/dbraw/zinc/71/06/13/997710613.db2.gz QVSVLNBBSBZJPC-VGOFRKELSA-N 2 1 421.520 3.782 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1F ZINC000485304311 997710626 /nfs/dbraw/zinc/71/06/26/997710626.db2.gz QVSVLNBBSBZJPC-VGOFRKELSA-N 2 1 421.520 3.782 20 0 HHADMP Nc1ccc(F)c(NC(=O)CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000485343551 997762642 /nfs/dbraw/zinc/76/26/42/997762642.db2.gz HOICMOQHWZJXQJ-AUSIDOKSSA-N 2 1 410.537 3.723 20 0 HHADMP Nc1ccc(F)c(NC(=O)CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000485343551 997762649 /nfs/dbraw/zinc/76/26/49/997762649.db2.gz HOICMOQHWZJXQJ-AUSIDOKSSA-N 2 1 410.537 3.723 20 0 HHADMP Nc1ccc(F)c(NC(=O)CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000485343551 997762658 /nfs/dbraw/zinc/76/26/58/997762658.db2.gz HOICMOQHWZJXQJ-AUSIDOKSSA-N 2 1 410.537 3.723 20 0 HHADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1 ZINC000485393349 997821526 /nfs/dbraw/zinc/82/15/26/997821526.db2.gz MPTOTLAWXHXKHY-OAQYLSRUSA-N 2 1 408.590 3.898 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H](C)[NH+](C)Cc1ccccc1 ZINC000477338641 998025871 /nfs/dbraw/zinc/02/58/71/998025871.db2.gz MNIDQUNGJSSLMF-XUZZJYLKSA-N 2 1 423.605 3.598 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000477338641 998025885 /nfs/dbraw/zinc/02/58/85/998025885.db2.gz MNIDQUNGJSSLMF-XUZZJYLKSA-N 2 1 423.605 3.598 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000477338641 998025901 /nfs/dbraw/zinc/02/59/01/998025901.db2.gz MNIDQUNGJSSLMF-XUZZJYLKSA-N 2 1 423.605 3.598 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000477338643 998026559 /nfs/dbraw/zinc/02/65/59/998026559.db2.gz MNIDQUNGJSSLMF-ZJSXRUAMSA-N 2 1 423.605 3.598 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000477338643 998026570 /nfs/dbraw/zinc/02/65/70/998026570.db2.gz MNIDQUNGJSSLMF-ZJSXRUAMSA-N 2 1 423.605 3.598 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000477338643 998026581 /nfs/dbraw/zinc/02/65/81/998026581.db2.gz MNIDQUNGJSSLMF-ZJSXRUAMSA-N 2 1 423.605 3.598 20 0 HHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000477361735 998049948 /nfs/dbraw/zinc/04/99/48/998049948.db2.gz IATKMTRFUQTQOO-OAHLLOKOSA-N 2 1 410.400 3.696 20 0 HHADMP C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@@H](C[NH+]3CCc4ccccc4C3)C(C)(C)C)CC[C@H]21 ZINC000485775300 998250152 /nfs/dbraw/zinc/25/01/52/998250152.db2.gz RVLROIHZFMYQIO-ZLNRFVROSA-N 2 1 412.622 3.585 20 0 HHADMP C[NH+]1CCC[C@@H]2CN(C(=O)N[C@@H](C[N@@H+]3CCc4ccccc4C3)C(C)(C)C)CC[C@H]21 ZINC000485775300 998250158 /nfs/dbraw/zinc/25/01/58/998250158.db2.gz RVLROIHZFMYQIO-ZLNRFVROSA-N 2 1 412.622 3.585 20 0 HHADMP C[NH+]1CCC[C@@H]2CN(C(=O)N[C@@H](C[N@H+]3CCc4ccccc4C3)C(C)(C)C)CC[C@H]21 ZINC000485775300 998250166 /nfs/dbraw/zinc/25/01/66/998250166.db2.gz RVLROIHZFMYQIO-ZLNRFVROSA-N 2 1 412.622 3.585 20 0 HHADMP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)C2=O)cc1 ZINC000477909244 998649384 /nfs/dbraw/zinc/64/93/84/998649384.db2.gz DJOCSRSBMDYBFL-VPBXCIAMSA-N 2 1 403.570 3.596 20 0 HHADMP CC(C)C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000486214191 998651587 /nfs/dbraw/zinc/65/15/87/998651587.db2.gz LKOFRUGOACVGIN-CWKRKGSWSA-N 2 1 400.611 3.878 20 0 HHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000486217880 998654644 /nfs/dbraw/zinc/65/46/44/998654644.db2.gz BSDHBSDBIIMIIW-DHIUTWEWSA-N 2 1 400.611 3.934 20 0 HHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000486217880 998654649 /nfs/dbraw/zinc/65/46/49/998654649.db2.gz BSDHBSDBIIMIIW-DHIUTWEWSA-N 2 1 400.611 3.934 20 0 HHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000486217880 998654653 /nfs/dbraw/zinc/65/46/53/998654653.db2.gz BSDHBSDBIIMIIW-DHIUTWEWSA-N 2 1 400.611 3.934 20 0 HHADMP OC[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)Cc1ccc(F)c(F)c1 ZINC000477941268 998670978 /nfs/dbraw/zinc/67/09/78/998670978.db2.gz RYUAGEBRTXEKTE-VMIIQTFKSA-N 2 1 400.513 3.616 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000486311258 998706823 /nfs/dbraw/zinc/70/68/23/998706823.db2.gz MXZYMPPCRPZNTH-VXKWHMMOSA-N 2 1 422.564 3.908 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000486311258 998706830 /nfs/dbraw/zinc/70/68/30/998706830.db2.gz MXZYMPPCRPZNTH-VXKWHMMOSA-N 2 1 422.564 3.908 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000486477927 998787462 /nfs/dbraw/zinc/78/74/62/998787462.db2.gz PQVXDSTYBYZFBV-MZYLBHOOSA-N 2 1 424.589 3.935 20 0 HHADMP CC(C)([C@@H](NC(=O)[C@@H]1CCCc2[nH+]ccn21)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000487040715 999045611 /nfs/dbraw/zinc/04/56/11/999045611.db2.gz MXBBQYYERDNJIN-ICSRJNTNSA-N 2 1 402.489 3.771 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000478620748 999050018 /nfs/dbraw/zinc/05/00/18/999050018.db2.gz KJQLTKFKSXREOW-NRFANRHFSA-N 2 1 405.627 3.525 20 0 HHADMP C[C@@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487061357 999051243 /nfs/dbraw/zinc/05/12/43/999051243.db2.gz DAZBASDFJPKKLT-NQIIRXRSSA-N 2 1 412.553 3.597 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000487145385 999079852 /nfs/dbraw/zinc/07/98/52/999079852.db2.gz KKIXZTPZPHGVQX-VOQZNFBZSA-N 2 1 420.548 3.805 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000487145385 999079855 /nfs/dbraw/zinc/07/98/55/999079855.db2.gz KKIXZTPZPHGVQX-VOQZNFBZSA-N 2 1 420.548 3.805 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000487145385 999079860 /nfs/dbraw/zinc/07/98/60/999079860.db2.gz KKIXZTPZPHGVQX-VOQZNFBZSA-N 2 1 420.548 3.805 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000487145385 999079863 /nfs/dbraw/zinc/07/98/63/999079863.db2.gz KKIXZTPZPHGVQX-VOQZNFBZSA-N 2 1 420.548 3.805 20 0 HHADMP C[C@H](NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487213453 999098766 /nfs/dbraw/zinc/09/87/66/999098766.db2.gz VJVGXOXWSLVHNR-ZEYPLWLESA-N 2 1 412.553 3.638 20 0 HHADMP C[C@H]1[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000478728851 999111065 /nfs/dbraw/zinc/11/10/65/999111065.db2.gz YKODZBWJEFXKQF-RDPSFJRHSA-N 2 1 406.574 3.745 20 0 HHADMP C[C@@H]1[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000478728852 999111079 /nfs/dbraw/zinc/11/10/79/999111079.db2.gz YKODZBWJEFXKQF-YKSBVNFPSA-N 2 1 406.574 3.745 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000487520375 999206461 /nfs/dbraw/zinc/20/64/61/999206461.db2.gz PJSOZOGSPLTCBL-OFVILXPXSA-N 2 1 420.601 3.861 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000479065167 999276859 /nfs/dbraw/zinc/27/68/59/999276859.db2.gz IGGZQCZUTSFYEB-RTBURBONSA-N 2 1 415.603 3.827 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000487801448 999294173 /nfs/dbraw/zinc/29/41/73/999294173.db2.gz PEPMIJDUCAYQOI-YADHBBJMSA-N 2 1 422.564 3.910 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000487801448 999294176 /nfs/dbraw/zinc/29/41/76/999294176.db2.gz PEPMIJDUCAYQOI-YADHBBJMSA-N 2 1 422.564 3.910 20 0 HHADMP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000487993106 999340193 /nfs/dbraw/zinc/34/01/93/999340193.db2.gz MZBDTNRYNFISGT-UHFFFAOYSA-N 2 1 400.592 3.501 20 0 HHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000479284482 999364941 /nfs/dbraw/zinc/36/49/41/999364941.db2.gz OKGGCYBCTUBRHU-DYESRHJHSA-N 2 1 403.364 3.607 20 0 HHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000479284482 999364945 /nfs/dbraw/zinc/36/49/45/999364945.db2.gz OKGGCYBCTUBRHU-DYESRHJHSA-N 2 1 403.364 3.607 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Cc1ccc(F)cc1Cl ZINC000488181428 999405082 /nfs/dbraw/zinc/40/50/82/999405082.db2.gz KVVRIGQISUKNCA-UHFFFAOYSA-N 2 1 409.977 3.676 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCn1cc(Br)cn1 ZINC000479463629 999428759 /nfs/dbraw/zinc/42/87/59/999428759.db2.gz JPLBEFKDVFFOMN-YLJYHZDGSA-N 2 1 405.384 3.926 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCn1cc(Br)cn1 ZINC000479463629 999428760 /nfs/dbraw/zinc/42/87/60/999428760.db2.gz JPLBEFKDVFFOMN-YLJYHZDGSA-N 2 1 405.384 3.926 20 0 HHADMP COC1CC[NH+](C(C)(C)CNC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000479521066 999458006 /nfs/dbraw/zinc/45/80/06/999458006.db2.gz ZFWZGHVHXCMBAZ-HXUWFJFHSA-N 2 1 422.658 3.562 20 0 HHADMP CC(C)OCC[NH+]1CCC(NC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000479552953 999474065 /nfs/dbraw/zinc/47/40/65/999474065.db2.gz HVYIFBTZNGGWAT-NRFANRHFSA-N 2 1 422.658 3.562 20 0 HHADMP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000479556534 999475952 /nfs/dbraw/zinc/47/59/52/999475952.db2.gz QZYMNUMKEXEHLD-CALCHBBNSA-N 2 1 401.016 3.981 20 0 HHADMP C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488616186 999547112 /nfs/dbraw/zinc/54/71/12/999547112.db2.gz VNQOTIZBEQVCCO-RCZVLFRGSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@@H](NC(=O)N1CCC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488616186 999547113 /nfs/dbraw/zinc/54/71/13/999547113.db2.gz VNQOTIZBEQVCCO-RCZVLFRGSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@@H](NC(=O)N1CCC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488616186 999547116 /nfs/dbraw/zinc/54/71/16/999547116.db2.gz VNQOTIZBEQVCCO-RCZVLFRGSA-N 2 1 420.601 3.815 20 0 HHADMP Cc1cccc(Cl)c1CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000488742871 999595276 /nfs/dbraw/zinc/59/52/76/999595276.db2.gz GIIJEHMXDIQWNN-UHFFFAOYSA-N 2 1 406.014 3.846 20 0 HHADMP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)cc1 ZINC000479794146 999596326 /nfs/dbraw/zinc/59/63/26/999596326.db2.gz RZRNKSILFSFRDE-FQEVSTJZSA-N 2 1 401.595 3.682 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)cc1 ZINC000479794146 999596330 /nfs/dbraw/zinc/59/63/30/999596330.db2.gz RZRNKSILFSFRDE-FQEVSTJZSA-N 2 1 401.595 3.682 20 0 HHADMP CCC[N@H+](CC)Cc1ccc(C(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000488799220 999611986 /nfs/dbraw/zinc/61/19/86/999611986.db2.gz COOJQZFWQZLBHE-UHFFFAOYSA-N 2 1 409.578 3.724 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000488799220 999611990 /nfs/dbraw/zinc/61/19/90/999611990.db2.gz COOJQZFWQZLBHE-UHFFFAOYSA-N 2 1 409.578 3.724 20 0 HHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000479908943 999644751 /nfs/dbraw/zinc/64/47/51/999644751.db2.gz FXKGNCUPPVWHRX-RBUKOAKNSA-N 2 1 419.591 3.673 20 0 HHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000479908943 999644756 /nfs/dbraw/zinc/64/47/56/999644756.db2.gz FXKGNCUPPVWHRX-RBUKOAKNSA-N 2 1 419.591 3.673 20 0 HHADMP CC[NH+]1CCC([NH2+][C@@H]2CCCOc3ccc(I)cc32)CC1 ZINC000480034926 999695279 /nfs/dbraw/zinc/69/52/79/999695279.db2.gz BFSIUCUKQWTLFS-MRXNPFEDSA-N 2 1 400.304 3.579 20 0 HHADMP CN(c1ccccc1C[NH2+]Cc1cccnc1OCC(F)F)C1CC[NH+](C)CC1 ZINC000480035232 999695647 /nfs/dbraw/zinc/69/56/47/999695647.db2.gz DCTLXJAZEDTTCC-UHFFFAOYSA-N 2 1 404.505 3.546 20 0 HHADMP C[C@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000489210024 999723128 /nfs/dbraw/zinc/72/31/28/999723128.db2.gz ZXQPTVQMQGRKGT-JQVVWYNYSA-N 2 1 414.619 3.951 20 0 HHADMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000480137711 999727708 /nfs/dbraw/zinc/72/77/08/999727708.db2.gz LQJLKMORIAXBLR-HXUWFJFHSA-N 2 1 407.624 3.634 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000489274869 999735024 /nfs/dbraw/zinc/73/50/24/999735024.db2.gz FJXBPYSGBWDMGY-AREMUKBSSA-N 2 1 420.601 3.946 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000489274869 999735027 /nfs/dbraw/zinc/73/50/27/999735027.db2.gz FJXBPYSGBWDMGY-AREMUKBSSA-N 2 1 420.601 3.946 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000489274869 999735031 /nfs/dbraw/zinc/73/50/31/999735031.db2.gz FJXBPYSGBWDMGY-AREMUKBSSA-N 2 1 420.601 3.946 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000489290221 999738265 /nfs/dbraw/zinc/73/82/65/999738265.db2.gz AZPCMBUNJHDSAJ-YFXJRYMSSA-N 2 1 412.553 3.638 20 0 HHADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccccc1OCC(=O)N(C)C ZINC000480238126 999753367 /nfs/dbraw/zinc/75/33/67/999753367.db2.gz AGQBHOMQJQDDSY-HSZRJFAPSA-N 2 1 409.574 3.643 20 0 HHADMP CC[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccccc1OCC(=O)N(C)C ZINC000480238126 999753369 /nfs/dbraw/zinc/75/33/69/999753369.db2.gz AGQBHOMQJQDDSY-HSZRJFAPSA-N 2 1 409.574 3.643 20 0 HHADMP C[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)CC[N@H+](C2CCC2)C1 ZINC000489403562 999760005 /nfs/dbraw/zinc/76/00/05/999760005.db2.gz ODRMWYCEYCAZCT-BBTUJRGHSA-N 2 1 404.624 3.647 20 0 HHADMP C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC[NH+](C2CCC2)C1 ZINC000489403562 999760009 /nfs/dbraw/zinc/76/00/09/999760009.db2.gz ODRMWYCEYCAZCT-BBTUJRGHSA-N 2 1 404.624 3.647 20 0 HHADMP C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC[NH+](C2CCC2)C1 ZINC000489403562 999760012 /nfs/dbraw/zinc/76/00/12/999760012.db2.gz ODRMWYCEYCAZCT-BBTUJRGHSA-N 2 1 404.624 3.647 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000489444495 999768879 /nfs/dbraw/zinc/76/88/79/999768879.db2.gz XXVWJKIAQYDEGM-YFXJRYMSSA-N 2 1 412.553 3.638 20 0 HHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000489652559 999810471 /nfs/dbraw/zinc/81/04/71/999810471.db2.gz XBUSBQVZIZLCRK-XMMPIXPASA-N 2 1 409.549 3.989 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000489652559 999810472 /nfs/dbraw/zinc/81/04/72/999810472.db2.gz XBUSBQVZIZLCRK-XMMPIXPASA-N 2 1 409.549 3.989 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CCN(CCCS(=O)(=O)c2ccccc2)CC1 ZINC000489656813 999811407 /nfs/dbraw/zinc/81/14/07/999811407.db2.gz DJNPXMWIRQWLJQ-UHFFFAOYSA-N 2 1 400.588 3.694 20 0 HHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCCS(=O)(=O)c2ccccc2)CC1 ZINC000489656813 999811409 /nfs/dbraw/zinc/81/14/09/999811409.db2.gz DJNPXMWIRQWLJQ-UHFFFAOYSA-N 2 1 400.588 3.694 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000489726920 999825720 /nfs/dbraw/zinc/82/57/20/999825720.db2.gz ICEHJHXHAYJUGE-PWRODBHTSA-N 2 1 412.622 3.659 20 0 HHADMP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000480607164 999839375 /nfs/dbraw/zinc/83/93/75/999839375.db2.gz DLGGHEJAYVGERY-WOJBJXKFSA-N 2 1 409.640 3.880 20 0 HHADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000480635527 999847047 /nfs/dbraw/zinc/84/70/47/999847047.db2.gz ATHFDSCCNDPMAU-OALUTQOASA-N 2 1 415.603 3.820 20 0 HHADMP COCCN(C)c1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000480660860 999853517 /nfs/dbraw/zinc/85/35/17/999853517.db2.gz QBGKOIJDYOGPGH-OYRHEFFESA-N 2 1 410.606 3.932 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000490019894 999878955 /nfs/dbraw/zinc/87/89/55/999878955.db2.gz LAENDSOUDRSYSJ-BWKNWUBXSA-N 2 1 420.601 3.732 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000490019895 999879007 /nfs/dbraw/zinc/87/90/07/999879007.db2.gz LAENDSOUDRSYSJ-OFVILXPXSA-N 2 1 420.601 3.732 20 0 HHADMP CC[N@H+](C)[C@@H](C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccccc1 ZINC000490088156 999891037 /nfs/dbraw/zinc/89/10/37/999891037.db2.gz FLIQKXZTRFXZDP-XMMPIXPASA-N 2 1 406.574 3.850 20 0 HHADMP CC[N@@H+](C)[C@@H](C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccccc1 ZINC000490088156 999891038 /nfs/dbraw/zinc/89/10/38/999891038.db2.gz FLIQKXZTRFXZDP-XMMPIXPASA-N 2 1 406.574 3.850 20 0 HHADMP C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490825907 1000012495 /nfs/dbraw/zinc/01/24/95/1000012495.db2.gz LKVWKXYOPCFHSA-OFVILXPXSA-N 2 1 405.586 3.925 20 0 HHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000490940541 1000025965 /nfs/dbraw/zinc/02/59/65/1000025965.db2.gz SXMSURRQBDLKLU-ZCNNSNEGSA-N 2 1 418.651 3.766 20 0 HHADMP C[C@@H]1C[N@@H+](CCCCOc2ccccc2C(F)(F)F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000491000205 1000032252 /nfs/dbraw/zinc/03/22/52/1000032252.db2.gz ZNPCSTRDFBTRSB-UYAOXDASSA-N 2 1 413.528 3.822 20 0 HHADMP C[N@H+]1CCCN(CCC[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000491022229 1000034952 /nfs/dbraw/zinc/03/49/52/1000034952.db2.gz PBIFHNHXVCOPRB-JOCHJYFZSA-N 2 1 403.517 3.995 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000491031760 1000036606 /nfs/dbraw/zinc/03/66/06/1000036606.db2.gz NUZKVLOGVHXYIY-JPYJTQIMSA-N 2 1 411.571 3.919 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccccc1OCC[NH+](C)C ZINC000491052966 1000039686 /nfs/dbraw/zinc/03/96/86/1000039686.db2.gz RPOKHAXNMLTWDQ-JOCHJYFZSA-N 2 1 409.574 3.611 20 0 HHADMP Cc1ccc([C@@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)c2ccccc2Cl)cc1 ZINC000493012057 1000154164 /nfs/dbraw/zinc/15/41/64/1000154164.db2.gz XFBNUZWXYBMEMA-XMMPIXPASA-N 2 1 416.009 3.718 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)c1)C1CCOCC1 ZINC000493827469 1000196217 /nfs/dbraw/zinc/19/62/17/1000196217.db2.gz ZRQBOJWSWARVHL-TZRRMPRUSA-N 2 1 414.590 3.614 20 0 HHADMP C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000493861258 1000198646 /nfs/dbraw/zinc/19/86/46/1000198646.db2.gz HJVNHBCGQJBQFQ-DBXWQHBBSA-N 2 1 411.512 3.678 20 0 HHADMP C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000493861258 1000198648 /nfs/dbraw/zinc/19/86/48/1000198648.db2.gz HJVNHBCGQJBQFQ-DBXWQHBBSA-N 2 1 411.512 3.678 20 0 HHADMP C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000493861258 1000198650 /nfs/dbraw/zinc/19/86/50/1000198650.db2.gz HJVNHBCGQJBQFQ-DBXWQHBBSA-N 2 1 411.512 3.678 20 0 HHADMP CC(C)N1CC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000494162989 1000335911 /nfs/dbraw/zinc/33/59/11/1000335911.db2.gz HYONRNASEGKZPF-FYYLOGMGSA-N 2 1 401.501 3.737 20 0 HHADMP CC(C)N1CC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000494162989 1000335918 /nfs/dbraw/zinc/33/59/18/1000335918.db2.gz HYONRNASEGKZPF-FYYLOGMGSA-N 2 1 401.501 3.737 20 0 HHADMP C[NH+](C)CCN(Cc1ccccc1)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000504737220 1000348413 /nfs/dbraw/zinc/34/84/13/1000348413.db2.gz JJXBNNQLZGIXQT-UHFFFAOYSA-N 2 1 408.590 3.597 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1)Cc1ccccc1 ZINC000494566965 1000557561 /nfs/dbraw/zinc/55/75/61/1000557561.db2.gz XMKASADKIOLLDZ-DEOSSOPVSA-N 2 1 409.549 3.773 20 0 HHADMP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000505137512 1000570705 /nfs/dbraw/zinc/57/07/05/1000570705.db2.gz ZNSHWTVHDMTCMU-HXUWFJFHSA-N 2 1 415.419 3.660 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000494942659 1000743819 /nfs/dbraw/zinc/74/38/19/1000743819.db2.gz YHQOSSCKCZIFQT-QYZOEREBSA-N 2 1 408.468 3.779 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000494942659 1000743824 /nfs/dbraw/zinc/74/38/24/1000743824.db2.gz YHQOSSCKCZIFQT-QYZOEREBSA-N 2 1 408.468 3.779 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495420372 1001005996 /nfs/dbraw/zinc/00/59/96/1001005996.db2.gz HLQXPJCPGMFBOG-WAOWUJCRSA-N 2 1 401.576 3.619 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc(-c2ccc(F)cc2)nc1C ZINC000505785803 1001022671 /nfs/dbraw/zinc/02/26/71/1001022671.db2.gz WWRUFPFXTJGFLG-IBGZPJMESA-N 2 1 418.582 3.746 20 0 HHADMP CC(C)[NH+]1CCC(NC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)CC1 ZINC000506186643 1001267008 /nfs/dbraw/zinc/26/70/08/1001267008.db2.gz FHVKEYBAPLCITL-UHFFFAOYSA-N 2 1 418.585 3.956 20 0 HHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)CC1 ZINC000506245941 1001304267 /nfs/dbraw/zinc/30/42/67/1001304267.db2.gz CMJAIJDILCSDJW-JOCHJYFZSA-N 2 1 406.574 3.679 20 0 HHADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000506283541 1001327887 /nfs/dbraw/zinc/32/78/87/1001327887.db2.gz SEKCGIMUULCYJX-RDPSFJRHSA-N 2 1 422.573 3.518 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000506283541 1001327892 /nfs/dbraw/zinc/32/78/92/1001327892.db2.gz SEKCGIMUULCYJX-RDPSFJRHSA-N 2 1 422.573 3.518 20 0 HHADMP C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000506466904 1001425718 /nfs/dbraw/zinc/42/57/18/1001425718.db2.gz OMWYFIXUWMCVAR-MIZPHKNDSA-N 2 1 406.574 3.702 20 0 HHADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000497619826 1001461261 /nfs/dbraw/zinc/46/12/61/1001461261.db2.gz FCQNASNNQFEELN-IFMALSPDSA-N 2 1 419.013 3.678 20 0 HHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2ccnc(OCC[NH+](C)C)c2)c1 ZINC000497655984 1001474458 /nfs/dbraw/zinc/47/44/58/1001474458.db2.gz JUDOORQTRYZZQA-UHFFFAOYSA-N 2 1 407.518 3.643 20 0 HHADMP [NH3+]C1(C(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)CCCCC1 ZINC000506690171 1001495158 /nfs/dbraw/zinc/49/51/58/1001495158.db2.gz ZPACQSRGMNWKSJ-UHFFFAOYSA-N 2 1 406.574 3.605 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+]1CCc2ccccc2C1 ZINC000506922046 1001594787 /nfs/dbraw/zinc/59/47/87/1001594787.db2.gz MPHMXBZYNIRUCI-YPAWHYETSA-N 2 1 412.622 3.729 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000506922046 1001594791 /nfs/dbraw/zinc/59/47/91/1001594791.db2.gz MPHMXBZYNIRUCI-YPAWHYETSA-N 2 1 412.622 3.729 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)[N@H+]1CCc2ccccc2C1 ZINC000506922046 1001594796 /nfs/dbraw/zinc/59/47/96/1001594796.db2.gz MPHMXBZYNIRUCI-YPAWHYETSA-N 2 1 412.622 3.729 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)CC(C)C ZINC000498443974 1001872716 /nfs/dbraw/zinc/87/27/16/1001872716.db2.gz NLFQMVFCWLGLOK-JTAQYXEDSA-N 2 1 403.611 3.782 20 0 HHADMP Cc1ccc(C)n1C1CC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000507359962 1002021794 /nfs/dbraw/zinc/02/17/94/1002021794.db2.gz MDOVBSNPFJEZFK-GGAORHGYSA-N 2 1 408.590 3.521 20 0 HHADMP CC[N@H+]1CCC[C@H](CNC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1 ZINC000507413220 1002058651 /nfs/dbraw/zinc/05/86/51/1002058651.db2.gz ISMXKZNYNVMAHA-OAQYLSRUSA-N 2 1 408.590 3.946 20 0 HHADMP CC(C)C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(=O)Nc1nccs1 ZINC000507490154 1002103193 /nfs/dbraw/zinc/10/31/93/1002103193.db2.gz ZYOAPAQDFOKOIQ-BQJUDKOJSA-N 2 1 412.603 3.997 20 0 HHADMP CC(C)C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(=O)Nc1nccs1 ZINC000507490154 1002103187 /nfs/dbraw/zinc/10/31/87/1002103187.db2.gz ZYOAPAQDFOKOIQ-BQJUDKOJSA-N 2 1 412.603 3.997 20 0 HHADMP O=C(NC1CCCCC1)N1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000507513869 1002124664 /nfs/dbraw/zinc/12/46/64/1002124664.db2.gz RTOBICLHCSPRRE-FTBPSBKWSA-N 2 1 424.633 3.993 20 0 HHADMP O=C(NC1CCCCC1)N1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000507513873 1002124883 /nfs/dbraw/zinc/12/48/83/1002124883.db2.gz RTOBICLHCSPRRE-IEZKXTBUSA-N 2 1 424.633 3.993 20 0 HHADMP O=C1[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCN1c1ccccc1Cl ZINC000507519820 1002129456 /nfs/dbraw/zinc/12/94/56/1002129456.db2.gz KLKLOFOOKKVGJG-YVNJGZBMSA-N 2 1 409.961 3.946 20 0 HHADMP O=C1[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCN1c1ccccc1Cl ZINC000507519820 1002129444 /nfs/dbraw/zinc/12/94/44/1002129444.db2.gz KLKLOFOOKKVGJG-YVNJGZBMSA-N 2 1 409.961 3.946 20 0 HHADMP COc1ccccc1C(C)(C)[NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000507834204 1002376437 /nfs/dbraw/zinc/37/64/37/1002376437.db2.gz PVLWERFYXXOKBZ-UHFFFAOYSA-N 2 1 409.574 3.563 20 0 HHADMP COc1ccccc1C(C)(C)[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000507834204 1002376450 /nfs/dbraw/zinc/37/64/50/1002376450.db2.gz PVLWERFYXXOKBZ-UHFFFAOYSA-N 2 1 409.574 3.563 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1cccc(C)c1)c1ccccn1 ZINC000499001069 1002380357 /nfs/dbraw/zinc/38/03/57/1002380357.db2.gz CERCVZRFZTUYEO-ISKFKSNPSA-N 2 1 423.605 3.537 20 0 HHADMP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000507895088 1002428508 /nfs/dbraw/zinc/42/85/08/1002428508.db2.gz MYASCNQLKOFSMY-UHFFFAOYSA-N 2 1 410.562 3.546 20 0 HHADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)c1 ZINC000499113373 1002502967 /nfs/dbraw/zinc/50/29/67/1002502967.db2.gz PLVHPLSATIAUEH-JBXUNAHCSA-N 2 1 418.585 3.744 20 0 HHADMP NC(=O)[C@@H]1CCC[NH+]1Cc1cccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000499113373 1002502982 /nfs/dbraw/zinc/50/29/82/1002502982.db2.gz PLVHPLSATIAUEH-JBXUNAHCSA-N 2 1 418.585 3.744 20 0 HHADMP NC(=O)[C@@H]1CCC[NH+]1Cc1cccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000499113373 1002502994 /nfs/dbraw/zinc/50/29/94/1002502994.db2.gz PLVHPLSATIAUEH-JBXUNAHCSA-N 2 1 418.585 3.744 20 0 HHADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)c1 ZINC000499113377 1002503360 /nfs/dbraw/zinc/50/33/60/1002503360.db2.gz PLVHPLSATIAUEH-ZFFYZDHPSA-N 2 1 418.585 3.744 20 0 HHADMP NC(=O)[C@H]1CCC[NH+]1Cc1cccc(N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000499113377 1002503373 /nfs/dbraw/zinc/50/33/73/1002503373.db2.gz PLVHPLSATIAUEH-ZFFYZDHPSA-N 2 1 418.585 3.744 20 0 HHADMP NC(=O)[C@H]1CCC[NH+]1Cc1cccc(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000499113377 1002503385 /nfs/dbraw/zinc/50/33/85/1002503385.db2.gz PLVHPLSATIAUEH-ZFFYZDHPSA-N 2 1 418.585 3.744 20 0 HHADMP C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499194217 1002583133 /nfs/dbraw/zinc/58/31/33/1002583133.db2.gz QWTHEFDTCCTOFY-FDTGPBLFSA-N 2 1 402.542 3.570 20 0 HHADMP C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499194217 1002583141 /nfs/dbraw/zinc/58/31/41/1002583141.db2.gz QWTHEFDTCCTOFY-FDTGPBLFSA-N 2 1 402.542 3.570 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000499311779 1002719118 /nfs/dbraw/zinc/71/91/18/1002719118.db2.gz JJQWMAYKUIRLDF-OPAMFIHVSA-N 2 1 409.509 3.983 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)CCC[N@H+](C)Cc2ccco2)cc1 ZINC000499312586 1002719606 /nfs/dbraw/zinc/71/96/06/1002719606.db2.gz KQPKXKIFSHXBLF-GOSISDBHSA-N 2 1 409.534 3.998 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)CCC[N@@H+](C)Cc2ccco2)cc1 ZINC000499312586 1002719611 /nfs/dbraw/zinc/71/96/11/1002719611.db2.gz KQPKXKIFSHXBLF-GOSISDBHSA-N 2 1 409.534 3.998 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000508501797 1002983702 /nfs/dbraw/zinc/98/37/02/1002983702.db2.gz FMWYGFLESJRRKI-OAQYLSRUSA-N 2 1 407.549 3.724 20 0 HHADMP CC(C)[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1cccc(C(F)(F)F)c1 ZINC000508532392 1003009919 /nfs/dbraw/zinc/00/99/19/1003009919.db2.gz DUSDRLZCELXXAZ-UHFFFAOYSA-N 2 1 407.484 3.658 20 0 HHADMP CC(C)[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1cccc(C(F)(F)F)c1 ZINC000508532392 1003009905 /nfs/dbraw/zinc/00/99/05/1003009905.db2.gz DUSDRLZCELXXAZ-UHFFFAOYSA-N 2 1 407.484 3.658 20 0 HHADMP C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508692826 1003130798 /nfs/dbraw/zinc/13/07/98/1003130798.db2.gz BENOKFZMKMMGHK-CTNGQTDRSA-N 2 1 409.549 3.931 20 0 HHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508718990 1003159083 /nfs/dbraw/zinc/15/90/83/1003159083.db2.gz OOMSCOCFWQTULM-YGPDHOBYSA-N 3 1 420.645 3.865 20 0 HHADMP C[C@H]([NH2+]CCCN1CC[NH+](C)C[C@H]1c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508718990 1003159092 /nfs/dbraw/zinc/15/90/92/1003159092.db2.gz OOMSCOCFWQTULM-YGPDHOBYSA-N 3 1 420.645 3.865 20 0 HHADMP C[C@H]([NH2+]CCCN1CCN(C)C[C@H]1c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508718990 1003159101 /nfs/dbraw/zinc/15/91/01/1003159101.db2.gz OOMSCOCFWQTULM-YGPDHOBYSA-N 2 1 420.645 3.865 20 0 HHADMP C[C@H]([NH2+]CCCN1CC[NH+](C)C[C@H]1c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508718990 1003159087 /nfs/dbraw/zinc/15/90/87/1003159087.db2.gz OOMSCOCFWQTULM-YGPDHOBYSA-N 3 1 420.645 3.865 20 0 HHADMP C[C@H]([NH2+]CCCN1CCN(C)C[C@H]1c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508718990 1003159097 /nfs/dbraw/zinc/15/90/97/1003159097.db2.gz OOMSCOCFWQTULM-YGPDHOBYSA-N 2 1 420.645 3.865 20 0 HHADMP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1)[NH+](C)C ZINC000508869095 1003289207 /nfs/dbraw/zinc/28/92/07/1003289207.db2.gz GXBAGDVHSZGDLS-AUSIDOKSSA-N 2 1 410.562 3.943 20 0 HHADMP C[C@@H]([NH2+]CCCN1CCN(c2ccccc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000509020027 1003492018 /nfs/dbraw/zinc/49/20/18/1003492018.db2.gz BHIOQPYHARNIQS-ILBGXUMGSA-N 2 1 406.618 3.699 20 0 HHADMP CC[N@@H+](CCC1CC[NH+](CCc2c(C)nc3sccn3c2=O)CC1)CC(C)C ZINC000509027468 1003498574 /nfs/dbraw/zinc/49/85/74/1003498574.db2.gz DNRLJEKCGIBYGD-UHFFFAOYSA-N 2 1 404.624 3.687 20 0 HHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000509030056 1003500922 /nfs/dbraw/zinc/50/09/22/1003500922.db2.gz HHDAYWVVWWSMQI-GHTZIAJQSA-N 2 1 407.002 3.850 20 0 HHADMP COc1ccc(C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)cc1F ZINC000509034350 1003505476 /nfs/dbraw/zinc/50/54/76/1003505476.db2.gz CPUPHPOWGDSAPL-UHFFFAOYSA-N 2 1 401.526 3.951 20 0 HHADMP COc1ccc(C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)cc1F ZINC000509034350 1003505484 /nfs/dbraw/zinc/50/54/84/1003505484.db2.gz CPUPHPOWGDSAPL-UHFFFAOYSA-N 2 1 401.526 3.951 20 0 HHADMP COC(=O)c1ccc(C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)cc1 ZINC000509058776 1003522289 /nfs/dbraw/zinc/52/22/89/1003522289.db2.gz XMYITFAWOOGDSD-UHFFFAOYSA-N 2 1 411.546 3.590 20 0 HHADMP COC(=O)c1ccc(C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)cc1 ZINC000509058776 1003522281 /nfs/dbraw/zinc/52/22/81/1003522281.db2.gz XMYITFAWOOGDSD-UHFFFAOYSA-N 2 1 411.546 3.590 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000509365702 1003794437 /nfs/dbraw/zinc/79/44/37/1003794437.db2.gz LENNOJJSBSSENX-PXNSSMCTSA-N 2 1 410.587 3.592 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000509365702 1003794442 /nfs/dbraw/zinc/79/44/42/1003794442.db2.gz LENNOJJSBSSENX-PXNSSMCTSA-N 2 1 410.587 3.592 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000509365702 1003794447 /nfs/dbraw/zinc/79/44/47/1003794447.db2.gz LENNOJJSBSSENX-PXNSSMCTSA-N 2 1 410.587 3.592 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000509365702 1003794452 /nfs/dbraw/zinc/79/44/52/1003794452.db2.gz LENNOJJSBSSENX-PXNSSMCTSA-N 2 1 410.587 3.592 20 0 HHADMP CC[C@@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000500802264 1003966814 /nfs/dbraw/zinc/96/68/14/1003966814.db2.gz DIWYNUYYFAHVAN-QHCPKHFHSA-N 2 1 400.611 3.587 20 0 HHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000512158239 1004065112 /nfs/dbraw/zinc/06/51/12/1004065112.db2.gz KKJHKNQJRDVKCT-JRFVFWCSSA-N 2 1 424.633 3.945 20 0 HHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000512158239 1004065118 /nfs/dbraw/zinc/06/51/18/1004065118.db2.gz KKJHKNQJRDVKCT-JRFVFWCSSA-N 2 1 424.633 3.945 20 0 HHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000512158239 1004065127 /nfs/dbraw/zinc/06/51/27/1004065127.db2.gz KKJHKNQJRDVKCT-JRFVFWCSSA-N 2 1 424.633 3.945 20 0 HHADMP CCCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000512170786 1004074078 /nfs/dbraw/zinc/07/40/78/1004074078.db2.gz DNHLHXVBCMUYCO-QFIPXVFZSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@H]1C[C@H](CCNC(=O)NCc2ccc(C[NH+](C)C)cc2)C[N@H+]1Cc1ccccc1 ZINC000509777149 1004088670 /nfs/dbraw/zinc/08/86/70/1004088670.db2.gz LVKUHBJCFUYUGY-RDPSFJRHSA-N 2 1 408.590 3.848 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)CC2)c1 ZINC000512188754 1004089999 /nfs/dbraw/zinc/08/99/99/1004089999.db2.gz CNCACYIQYMBCMT-JOCHJYFZSA-N 2 1 421.589 3.522 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)CC2)c1 ZINC000512188754 1004090008 /nfs/dbraw/zinc/09/00/08/1004090008.db2.gz CNCACYIQYMBCMT-JOCHJYFZSA-N 2 1 421.589 3.522 20 0 HHADMP CC(C)(C)[N@H+]1C[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C(F)(F)F)C1 ZINC000509783075 1004092965 /nfs/dbraw/zinc/09/29/65/1004092965.db2.gz OVQVNXAFLSXLOW-IPMKNSEASA-N 2 1 411.512 3.534 20 0 HHADMP CC(C)(C)[NH+]1C[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C(F)(F)F)C1 ZINC000509783075 1004092976 /nfs/dbraw/zinc/09/29/76/1004092976.db2.gz OVQVNXAFLSXLOW-IPMKNSEASA-N 2 1 411.512 3.534 20 0 HHADMP CC(C)(C)[NH+]1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C(F)(F)F)C1 ZINC000509783075 1004092982 /nfs/dbraw/zinc/09/29/82/1004092982.db2.gz OVQVNXAFLSXLOW-IPMKNSEASA-N 2 1 411.512 3.534 20 0 HHADMP CC(C)[C@@H](CNC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000501018118 1004120873 /nfs/dbraw/zinc/12/08/73/1004120873.db2.gz CNWXFEUKDHYAAI-XMMPIXPASA-N 2 1 408.590 3.786 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[N@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)c2cc1C ZINC000512235502 1004135976 /nfs/dbraw/zinc/13/59/76/1004135976.db2.gz CJKMBNFCSWWDMT-ZEQKJWHPSA-N 2 1 418.585 3.612 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[NH+]3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)c2cc1C ZINC000512235502 1004135982 /nfs/dbraw/zinc/13/59/82/1004135982.db2.gz CJKMBNFCSWWDMT-ZEQKJWHPSA-N 2 1 418.585 3.612 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[NH+]3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)c2cc1C ZINC000512235502 1004135986 /nfs/dbraw/zinc/13/59/86/1004135986.db2.gz CJKMBNFCSWWDMT-ZEQKJWHPSA-N 2 1 418.585 3.612 20 0 HHADMP C[N@@H+](Cc1nc(COc2ccc(F)cc2)no1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501047334 1004148325 /nfs/dbraw/zinc/14/83/25/1004148325.db2.gz RZWSSNHEOPALDW-UHFFFAOYSA-N 2 1 411.481 3.531 20 0 HHADMP C[N@H+](Cc1nc(COc2ccc(F)cc2)no1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501047334 1004148328 /nfs/dbraw/zinc/14/83/28/1004148328.db2.gz RZWSSNHEOPALDW-UHFFFAOYSA-N 2 1 411.481 3.531 20 0 HHADMP C[N@H+](CC(=O)Nc1nc2ccc(F)cc2s1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501051948 1004154534 /nfs/dbraw/zinc/15/45/34/1004154534.db2.gz ZTTWKMJZPRSRBA-UHFFFAOYSA-N 2 1 413.522 3.617 20 0 HHADMP C[N@@H+](C[C@@H](O)CO[C@@H]1CCCc2ccccc21)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501067980 1004170143 /nfs/dbraw/zinc/17/01/43/1004170143.db2.gz JLQFNBRKNRXSIE-ILBGXUMGSA-N 2 1 409.574 3.685 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(CC(=O)N[C@@H](c2nccs2)c2ccccc2)CC1 ZINC000512270921 1004171050 /nfs/dbraw/zinc/17/10/50/1004171050.db2.gz OOHOQCYLIJUWRG-JOCHJYFZSA-N 2 1 414.619 3.793 20 0 HHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@@H](c2nccs2)c2ccccc2)CC1 ZINC000512270921 1004171054 /nfs/dbraw/zinc/17/10/54/1004171054.db2.gz OOHOQCYLIJUWRG-JOCHJYFZSA-N 2 1 414.619 3.793 20 0 HHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@@H](c2nccs2)c2ccccc2)CC1 ZINC000512270921 1004171056 /nfs/dbraw/zinc/17/10/56/1004171056.db2.gz OOHOQCYLIJUWRG-JOCHJYFZSA-N 2 1 414.619 3.793 20 0 HHADMP O[C@@H](COc1cccc2[nH]ccc21)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512271600 1004172679 /nfs/dbraw/zinc/17/26/79/1004172679.db2.gz UWMZRXQSZYVOHY-PXDATVDWSA-N 2 1 405.542 3.506 20 0 HHADMP O[C@@H](COc1cccc2[nH]ccc21)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512271600 1004172685 /nfs/dbraw/zinc/17/26/85/1004172685.db2.gz UWMZRXQSZYVOHY-PXDATVDWSA-N 2 1 405.542 3.506 20 0 HHADMP O[C@@H](COc1cccc2[nH]ccc21)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512271600 1004172692 /nfs/dbraw/zinc/17/26/92/1004172692.db2.gz UWMZRXQSZYVOHY-PXDATVDWSA-N 2 1 405.542 3.506 20 0 HHADMP O[C@@H](COc1cccc2[nH]ccc21)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512271600 1004172697 /nfs/dbraw/zinc/17/26/97/1004172697.db2.gz UWMZRXQSZYVOHY-PXDATVDWSA-N 2 1 405.542 3.506 20 0 HHADMP Cc1cc(C)c(CCNC(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000501072559 1004175831 /nfs/dbraw/zinc/17/58/31/1004175831.db2.gz ZMRNHSIDNOBULC-UHFFFAOYSA-N 2 1 408.590 3.514 20 0 HHADMP C[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501077534 1004182269 /nfs/dbraw/zinc/18/22/69/1004182269.db2.gz IMWMRYCMNZHKTP-UHFFFAOYSA-N 2 1 409.559 3.629 20 0 HHADMP CCC[N@H+](CC(=O)N(C(C)C)C1CCCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512282621 1004184111 /nfs/dbraw/zinc/18/41/11/1004184111.db2.gz MLLKGJUFNOBRSY-UHFFFAOYSA-N 2 1 415.626 3.954 20 0 HHADMP CCC[N@@H+](CC(=O)N(C(C)C)C1CCCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512282621 1004184119 /nfs/dbraw/zinc/18/41/19/1004184119.db2.gz MLLKGJUFNOBRSY-UHFFFAOYSA-N 2 1 415.626 3.954 20 0 HHADMP CCC[N@H+](CCC(=O)Nc1ccc(F)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512284654 1004187539 /nfs/dbraw/zinc/18/75/39/1004187539.db2.gz ZBHSKQHYEAVVAL-UHFFFAOYSA-N 2 1 413.541 3.942 20 0 HHADMP CCC[N@@H+](CCC(=O)Nc1ccc(F)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512284654 1004187543 /nfs/dbraw/zinc/18/75/43/1004187543.db2.gz ZBHSKQHYEAVVAL-UHFFFAOYSA-N 2 1 413.541 3.942 20 0 HHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000501086357 1004192141 /nfs/dbraw/zinc/19/21/41/1004192141.db2.gz JQPQUJQINIOIJN-FUHIMQAGSA-N 2 1 410.965 3.646 20 0 HHADMP CCC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000501086357 1004192145 /nfs/dbraw/zinc/19/21/45/1004192145.db2.gz JQPQUJQINIOIJN-FUHIMQAGSA-N 2 1 410.965 3.646 20 0 HHADMP CCC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000501086357 1004192149 /nfs/dbraw/zinc/19/21/49/1004192149.db2.gz JQPQUJQINIOIJN-FUHIMQAGSA-N 2 1 410.965 3.646 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCc3ccccc3C2)CC1 ZINC000512316189 1004211392 /nfs/dbraw/zinc/21/13/92/1004211392.db2.gz XDKWCZXBEADBAW-RUZDIDTESA-N 2 1 405.586 3.565 20 0 HHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000501114021 1004214287 /nfs/dbraw/zinc/21/42/87/1004214287.db2.gz VWRSWVVWYHZDFH-FGZHOGPDSA-N 2 1 420.601 3.929 20 0 HHADMP C[NH+](C)CCn1ncc(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1-c1ccccc1 ZINC000509939243 1004220139 /nfs/dbraw/zinc/22/01/39/1004220139.db2.gz CFJLRMRHBYXUCF-QFIPXVFZSA-N 2 1 423.605 3.639 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000501172728 1004253256 /nfs/dbraw/zinc/25/32/56/1004253256.db2.gz IZBLZDHNSRRTGR-AVRDEDQJSA-N 2 1 414.619 3.877 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000512406433 1004275600 /nfs/dbraw/zinc/27/56/00/1004275600.db2.gz PXJCESQNHRYIHK-QPPBQGQZSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N(CC[NH+](C)C)C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000512425058 1004291055 /nfs/dbraw/zinc/29/10/55/1004291055.db2.gz WXXHBCGDFXEGHF-IRLDBZIGSA-N 2 1 400.611 3.803 20 0 HHADMP CO[C@H](C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1ccc(Cl)cc1 ZINC000512480742 1004333640 /nfs/dbraw/zinc/33/36/40/1004333640.db2.gz PYZFWVAVBVSBPJ-DNQXCXABSA-N 2 1 413.993 3.920 20 0 HHADMP CO[C@H](C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccc(Cl)cc1 ZINC000512480742 1004333649 /nfs/dbraw/zinc/33/36/49/1004333649.db2.gz PYZFWVAVBVSBPJ-DNQXCXABSA-N 2 1 413.993 3.920 20 0 HHADMP Fc1ccc(-c2cc(CN3CCN([C@@H]4CC[N@@H+](Cc5ccccc5)C4)CC3)on2)cc1 ZINC000512481753 1004334434 /nfs/dbraw/zinc/33/44/34/1004334434.db2.gz XXTAWUMGNARMHQ-HSZRJFAPSA-N 2 1 420.532 3.873 20 0 HHADMP CC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000501328677 1004351773 /nfs/dbraw/zinc/35/17/73/1004351773.db2.gz LXCVRYXYPXRSSR-DEOSSOPVSA-N 2 1 408.590 3.597 20 0 HHADMP C[NH+](Cc1cc(Br)ccc1C[N@H+](C)[C@@H]1CCCOC1)[C@H]1CCCOC1 ZINC000510143276 1004353821 /nfs/dbraw/zinc/35/38/21/1004353821.db2.gz LQWRWVADUFCGEG-UXHICEINSA-N 2 1 411.384 3.671 20 0 HHADMP C[NH+](Cc1ccc(Br)cc1C[N@H+](C)[C@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000510143276 1004353827 /nfs/dbraw/zinc/35/38/27/1004353827.db2.gz LQWRWVADUFCGEG-UXHICEINSA-N 2 1 411.384 3.671 20 0 HHADMP C[NH+](Cc1ccc(Br)cc1C[N@@H+](C)[C@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000510143276 1004353834 /nfs/dbraw/zinc/35/38/34/1004353834.db2.gz LQWRWVADUFCGEG-UXHICEINSA-N 2 1 411.384 3.671 20 0 HHADMP CC[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000501337976 1004355655 /nfs/dbraw/zinc/35/56/55/1004355655.db2.gz ZKRJWCNMMXDGMF-VXKWHMMOSA-N 2 1 410.562 3.553 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)C1CCCCC1 ZINC000501365966 1004369936 /nfs/dbraw/zinc/36/99/36/1004369936.db2.gz XXINLOPWGDYDLD-QFIPXVFZSA-N 2 1 404.574 3.554 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)C1CCCCC1 ZINC000501365966 1004369944 /nfs/dbraw/zinc/36/99/44/1004369944.db2.gz XXINLOPWGDYDLD-QFIPXVFZSA-N 2 1 404.574 3.554 20 0 HHADMP CC[C@@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000501376572 1004376512 /nfs/dbraw/zinc/37/65/12/1004376512.db2.gz GWUOMOGDXZIKHJ-OFNKIYASSA-N 2 1 400.611 3.777 20 0 HHADMP CC[C@@H](CNC(=O)NCCCC[NH+]1CCCC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000501376572 1004376523 /nfs/dbraw/zinc/37/65/23/1004376523.db2.gz GWUOMOGDXZIKHJ-OFNKIYASSA-N 2 1 400.611 3.777 20 0 HHADMP CC[C@@H](CNC(=O)NCCCC[NH+]1CCCC[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000501376572 1004376532 /nfs/dbraw/zinc/37/65/32/1004376532.db2.gz GWUOMOGDXZIKHJ-OFNKIYASSA-N 2 1 400.611 3.777 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000501387924 1004383450 /nfs/dbraw/zinc/38/34/50/1004383450.db2.gz CBVGHGWTJJJSAR-XUFNMVPLSA-N 2 1 420.548 3.757 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000501387924 1004383462 /nfs/dbraw/zinc/38/34/62/1004383462.db2.gz CBVGHGWTJJJSAR-XUFNMVPLSA-N 2 1 420.548 3.757 20 0 HHADMP C[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501401995 1004394055 /nfs/dbraw/zinc/39/40/55/1004394055.db2.gz GTWPZCPIOAISMM-HARLFGEKSA-N 2 1 412.553 3.638 20 0 HHADMP O[C@]1(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC[NH+](Cc2ccccc2)C1 ZINC000512611232 1004424954 /nfs/dbraw/zinc/42/49/54/1004424954.db2.gz JAYJFOSZKBMCJD-YAOOYPAMSA-N 2 1 419.613 3.514 20 0 HHADMP O[C@]1(CN[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)CC[N@H+](Cc2ccccc2)C1 ZINC000512611232 1004424959 /nfs/dbraw/zinc/42/49/59/1004424959.db2.gz JAYJFOSZKBMCJD-YAOOYPAMSA-N 2 1 419.613 3.514 20 0 HHADMP O[C@]1(CN[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)CC[N@@H+](Cc2ccccc2)C1 ZINC000512611232 1004424965 /nfs/dbraw/zinc/42/49/65/1004424965.db2.gz JAYJFOSZKBMCJD-YAOOYPAMSA-N 2 1 419.613 3.514 20 0 HHADMP O[C@]1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCN(Cc2ccccc2)C1 ZINC000512611232 1004424969 /nfs/dbraw/zinc/42/49/69/1004424969.db2.gz JAYJFOSZKBMCJD-YAOOYPAMSA-N 2 1 419.613 3.514 20 0 HHADMP O[C@]1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCN(Cc2ccccc2)C1 ZINC000512611232 1004424971 /nfs/dbraw/zinc/42/49/71/1004424971.db2.gz JAYJFOSZKBMCJD-YAOOYPAMSA-N 3 1 419.613 3.514 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]Cc4ccccc4N4CCOCC4)[C@H]3C2)cc1 ZINC000512612303 1004425898 /nfs/dbraw/zinc/42/58/98/1004425898.db2.gz OJOSIQFWSVWATN-CCDWMCETSA-N 2 1 405.586 3.914 20 0 HHADMP C[N@@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501527076 1004491434 /nfs/dbraw/zinc/49/14/34/1004491434.db2.gz GGFOQRARIGFGDC-FQEVSTJZSA-N 2 1 407.480 3.852 20 0 HHADMP C[C@H](NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512713326 1004512442 /nfs/dbraw/zinc/51/24/42/1004512442.db2.gz ZLSWWAIIHBYQOH-OALUTQOASA-N 2 1 402.583 3.538 20 0 HHADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000501615708 1004554717 /nfs/dbraw/zinc/55/47/17/1004554717.db2.gz HUDQEZAFHCZZTH-JOCHJYFZSA-N 2 1 424.564 3.808 20 0 HHADMP FC(F)OC[C@H]1CC[NH+](Cc2ccc(C[N@@H+]3CC[C@H](COC(F)F)C3)cc2)C1 ZINC000512796587 1004563758 /nfs/dbraw/zinc/56/37/58/1004563758.db2.gz IMLPFOBXKJCOIW-ROUUACIJSA-N 2 1 404.448 3.809 20 0 HHADMP CC[C@H](CNC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000510455500 1004578336 /nfs/dbraw/zinc/57/83/36/1004578336.db2.gz GPWOAFRWDKRUMM-PKTZIBPZSA-N 2 1 424.589 3.861 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000510462741 1004583436 /nfs/dbraw/zinc/58/34/36/1004583436.db2.gz XPEKMFLIOUATAH-FGZHOGPDSA-N 2 1 410.562 3.689 20 0 HHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510484735 1004601738 /nfs/dbraw/zinc/60/17/38/1004601738.db2.gz YMCYYQVJWFWGCD-TZIWHRDSSA-N 2 1 400.611 3.981 20 0 HHADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[NH2+]C2CC(c3ccccc3Cl)C2)cc[nH+]1 ZINC000512850037 1004613012 /nfs/dbraw/zinc/61/30/12/1004613012.db2.gz HFAFQBXRVZHOKU-XGHPGWEVSA-N 2 1 403.933 3.649 20 0 HHADMP C[C@@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510561331 1004704616 /nfs/dbraw/zinc/70/46/16/1004704616.db2.gz NCPFMTOZFZDJKV-QUCCMNQESA-N 2 1 416.585 3.742 20 0 HHADMP C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510575638 1004721724 /nfs/dbraw/zinc/72/17/24/1004721724.db2.gz ZMHLPLYBNDACES-ZJOUEHCJSA-N 2 1 402.583 3.759 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)N2CCSc3ccccc32)CC1 ZINC000501804422 1004746126 /nfs/dbraw/zinc/74/61/26/1004746126.db2.gz KSGMCFBPCISXCH-IBGZPJMESA-N 2 1 419.635 3.584 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000513047121 1004776200 /nfs/dbraw/zinc/77/62/00/1004776200.db2.gz PXCVVDUOAROROZ-YNJKOYDBSA-N 2 1 421.585 3.738 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)CC[N@H+]1Cc1ccccc1 ZINC000513047121 1004776208 /nfs/dbraw/zinc/77/62/08/1004776208.db2.gz PXCVVDUOAROROZ-YNJKOYDBSA-N 2 1 421.585 3.738 20 0 HHADMP C[C@H](NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000501857972 1004780333 /nfs/dbraw/zinc/78/03/33/1004780333.db2.gz MFHVPRGOCPXOIJ-SYVJQLTCSA-N 2 1 424.633 3.947 20 0 HHADMP C[C@H](NC(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501857972 1004780338 /nfs/dbraw/zinc/78/03/38/1004780338.db2.gz MFHVPRGOCPXOIJ-SYVJQLTCSA-N 2 1 424.633 3.947 20 0 HHADMP C[C@H](NC(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000501857972 1004780343 /nfs/dbraw/zinc/78/03/43/1004780343.db2.gz MFHVPRGOCPXOIJ-SYVJQLTCSA-N 2 1 424.633 3.947 20 0 HHADMP C[C@@H](CCc1c(F)cccc1F)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000510666207 1004788516 /nfs/dbraw/zinc/78/85/16/1004788516.db2.gz DGYPZNCPERXQDD-PXNSSMCTSA-N 2 1 415.528 3.773 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000501938563 1004819413 /nfs/dbraw/zinc/81/94/13/1004819413.db2.gz NBYAXVARTZPBCA-IBGZPJMESA-N 2 1 410.400 3.621 20 0 HHADMP C[N@H+](CCC(=O)Nc1ccccc1C(=O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513164918 1004840807 /nfs/dbraw/zinc/84/08/07/1004840807.db2.gz GOCQRQIXJPMGLL-WCRBZPEASA-N 2 1 405.542 3.803 20 0 HHADMP C[N@@H+](CCC(=O)Nc1ccccc1C(=O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513164918 1004840810 /nfs/dbraw/zinc/84/08/10/1004840810.db2.gz GOCQRQIXJPMGLL-WCRBZPEASA-N 2 1 405.542 3.803 20 0 HHADMP C[NH+](CCC(=O)Nc1ccccc1C(=O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513164918 1004840813 /nfs/dbraw/zinc/84/08/13/1004840813.db2.gz GOCQRQIXJPMGLL-WCRBZPEASA-N 2 1 405.542 3.803 20 0 HHADMP C[NH+](CCC(=O)Nc1ccccc1C(=O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513164918 1004840818 /nfs/dbraw/zinc/84/08/18/1004840818.db2.gz GOCQRQIXJPMGLL-WCRBZPEASA-N 2 1 405.542 3.803 20 0 HHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](Cc3ccccn3)c3cccnc3)CC2)oc1C ZINC000513343085 1004920077 /nfs/dbraw/zinc/92/00/77/1004920077.db2.gz MHZPXXMSGPKZHH-QHCPKHFHSA-N 2 1 405.546 3.867 20 0 HHADMP O=C([C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000513397651 1004943112 /nfs/dbraw/zinc/94/31/12/1004943112.db2.gz MTDIWJOTHZXMKC-NHCUHLMSSA-N 2 1 405.533 3.621 20 0 HHADMP O=C(Cc1ccccc1)N1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000510942856 1004946333 /nfs/dbraw/zinc/94/63/33/1004946333.db2.gz COFSSEYCCZCXJR-QEGGNFSNSA-N 2 1 417.597 3.720 20 0 HHADMP O=C(COc1ccccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)NCC1CC1 ZINC000513423954 1004959559 /nfs/dbraw/zinc/95/95/59/1004959559.db2.gz BRVDMOWRATVPDB-JOCHJYFZSA-N 2 1 413.606 3.680 20 0 HHADMP O=C(COc1ccccc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)NCC1CC1 ZINC000513423954 1004959563 /nfs/dbraw/zinc/95/95/63/1004959563.db2.gz BRVDMOWRATVPDB-JOCHJYFZSA-N 2 1 413.606 3.680 20 0 HHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000510978749 1004963709 /nfs/dbraw/zinc/96/37/09/1004963709.db2.gz NIKGOYZMCCIJOF-CYBMUJFWSA-N 2 1 403.328 3.584 20 0 HHADMP Cc1[nH+]ccn1CCC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000511017756 1004981694 /nfs/dbraw/zinc/98/16/94/1004981694.db2.gz RXPRVXBJMCONHF-UHFFFAOYSA-N 2 1 419.367 3.547 20 0 HHADMP Cc1c(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000513494272 1004990432 /nfs/dbraw/zinc/99/04/32/1004990432.db2.gz GZYATTMPLJNKEO-NFBKMPQASA-N 2 1 418.585 3.875 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000511036921 1004991960 /nfs/dbraw/zinc/99/19/60/1004991960.db2.gz GNKKNKONMFDJED-IEZKXTBUSA-N 2 1 405.586 3.720 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000511036921 1004991961 /nfs/dbraw/zinc/99/19/61/1004991961.db2.gz GNKKNKONMFDJED-IEZKXTBUSA-N 2 1 405.586 3.720 20 0 HHADMP Cc1cc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)ccc1Oc1cccnc1 ZINC000513668094 1005074661 /nfs/dbraw/zinc/07/46/61/1005074661.db2.gz VRVWBSGVPKYMBJ-UHFFFAOYSA-N 2 1 422.573 3.558 20 0 HHADMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000511209996 1005075313 /nfs/dbraw/zinc/07/53/13/1005075313.db2.gz YBOSEQLLFTXRIK-QHCPKHFHSA-N 2 1 409.599 3.630 20 0 HHADMP CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC000513692308 1005084503 /nfs/dbraw/zinc/08/45/03/1005084503.db2.gz YYHAWTVUIDKVHO-WBADGQHESA-N 2 1 407.606 3.997 20 0 HHADMP COc1cc(C)c(C[C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1OC ZINC000502475110 1005086581 /nfs/dbraw/zinc/08/65/81/1005086581.db2.gz IWOYBFLWGCNJLB-WMZHIEFXSA-N 2 1 412.574 3.690 20 0 HHADMP CC[C@H](CNC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000511266576 1005098145 /nfs/dbraw/zinc/09/81/45/1005098145.db2.gz MOOXIDGZFDKGEY-XMMPIXPASA-N 2 1 423.626 3.802 20 0 HHADMP COc1c(Br)cc(Br)cc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000513725947 1005098253 /nfs/dbraw/zinc/09/82/53/1005098253.db2.gz UZGMJTPTBLKJLF-UHFFFAOYSA-N 2 1 420.189 3.994 20 0 HHADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc(Br)c1OC(F)F ZINC000513733098 1005101091 /nfs/dbraw/zinc/10/10/91/1005101091.db2.gz NQGMGSKIAXOABQ-UHFFFAOYSA-N 2 1 407.299 3.833 20 0 HHADMP C[C@@H](NC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)C1=CC[NH+](C)CC1 ZINC000511284817 1005107439 /nfs/dbraw/zinc/10/74/39/1005107439.db2.gz FBVXNFUSWSHLHE-DYESRHJHSA-N 2 1 404.986 3.644 20 0 HHADMP C[C@@H](NC(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1)C1=CC[N@H+](C)CC1 ZINC000511284817 1005107440 /nfs/dbraw/zinc/10/74/40/1005107440.db2.gz FBVXNFUSWSHLHE-DYESRHJHSA-N 2 1 404.986 3.644 20 0 HHADMP C[C@@H](NC(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1)C1=CC[N@@H+](C)CC1 ZINC000511284817 1005107443 /nfs/dbraw/zinc/10/74/43/1005107443.db2.gz FBVXNFUSWSHLHE-DYESRHJHSA-N 2 1 404.986 3.644 20 0 HHADMP C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511295576 1005112634 /nfs/dbraw/zinc/11/26/34/1005112634.db2.gz VJVWGCQWQIPVME-ADGBJGEGSA-N 2 1 412.622 3.849 20 0 HHADMP C[C@H](NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511295576 1005112638 /nfs/dbraw/zinc/11/26/38/1005112638.db2.gz VJVWGCQWQIPVME-ADGBJGEGSA-N 2 1 412.622 3.849 20 0 HHADMP C[C@H](NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511295576 1005112641 /nfs/dbraw/zinc/11/26/41/1005112641.db2.gz VJVWGCQWQIPVME-ADGBJGEGSA-N 2 1 412.622 3.849 20 0 HHADMP C[C@@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511295579 1005112829 /nfs/dbraw/zinc/11/28/29/1005112829.db2.gz VJVWGCQWQIPVME-WOOVXOMTSA-N 2 1 412.622 3.849 20 0 HHADMP C[C@@H](NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511295579 1005112832 /nfs/dbraw/zinc/11/28/32/1005112832.db2.gz VJVWGCQWQIPVME-WOOVXOMTSA-N 2 1 412.622 3.849 20 0 HHADMP C[C@@H](NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511295579 1005112836 /nfs/dbraw/zinc/11/28/36/1005112836.db2.gz VJVWGCQWQIPVME-WOOVXOMTSA-N 2 1 412.622 3.849 20 0 HHADMP COc1cccc(-c2nc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)cs2)c1 ZINC000513819822 1005143624 /nfs/dbraw/zinc/14/36/24/1005143624.db2.gz DVFLDHPQSLOWLV-UHFFFAOYSA-N 2 1 401.576 3.753 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000513891124 1005175390 /nfs/dbraw/zinc/17/53/90/1005175390.db2.gz APBKVIVHZACPIS-AGILITTLSA-N 2 1 406.574 3.958 20 0 HHADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000513926579 1005191335 /nfs/dbraw/zinc/19/13/35/1005191335.db2.gz WBPMYKGDIJGOMQ-LOSJGSFVSA-N 2 1 405.586 3.891 20 0 HHADMP C[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000502799747 1005222908 /nfs/dbraw/zinc/22/29/08/1005222908.db2.gz SYWGCUOCOGIZOP-ROUUACIJSA-N 2 1 414.619 3.923 20 0 HHADMP C[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000502799747 1005222910 /nfs/dbraw/zinc/22/29/10/1005222910.db2.gz SYWGCUOCOGIZOP-ROUUACIJSA-N 2 1 414.619 3.923 20 0 HHADMP CC1CC[NH+](C2CCC(NC(=O)N(C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000502821097 1005232081 /nfs/dbraw/zinc/23/20/81/1005232081.db2.gz DYUMJECBNBWEOO-KXTRFFEISA-N 2 1 412.622 3.945 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCCC1 ZINC000502840489 1005239969 /nfs/dbraw/zinc/23/99/69/1005239969.db2.gz HATVEBBLHSYZHK-RBBKRZOGSA-N 2 1 416.610 3.786 20 0 HHADMP COc1cccc([C@@H](CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)[NH+]2CCCC2)c1 ZINC000502843697 1005240855 /nfs/dbraw/zinc/24/08/55/1005240855.db2.gz JPRXXRPXNIPTDH-NZQKXSOJSA-N 2 1 416.610 3.786 20 0 HHADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000511631762 1005252787 /nfs/dbraw/zinc/25/27/87/1005252787.db2.gz WGXGNTDSWASKQH-UHFFFAOYSA-N 2 1 400.394 3.909 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(CCN3CCOCC3)cc2)cc1)C1CC1 ZINC000511644347 1005258291 /nfs/dbraw/zinc/25/82/91/1005258291.db2.gz GSOMSDNAUXFYJL-UHFFFAOYSA-N 2 1 407.558 3.798 20 0 HHADMP CC[N@H+](Cc1ccc(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1)C1CC1 ZINC000511644347 1005258296 /nfs/dbraw/zinc/25/82/96/1005258296.db2.gz GSOMSDNAUXFYJL-UHFFFAOYSA-N 2 1 407.558 3.798 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1)C1CC1 ZINC000511644347 1005258300 /nfs/dbraw/zinc/25/83/00/1005258300.db2.gz GSOMSDNAUXFYJL-UHFFFAOYSA-N 2 1 407.558 3.798 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000511649380 1005261230 /nfs/dbraw/zinc/26/12/30/1005261230.db2.gz RWUNNBGGMQCSAX-UHFFFAOYSA-N 2 1 421.585 3.642 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000502891971 1005261799 /nfs/dbraw/zinc/26/17/99/1005261799.db2.gz IETZKZVXUPMREF-BGYRXZFFSA-N 2 1 404.599 3.644 20 0 HHADMP Cc1ccccc1C[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000514185039 1005303059 /nfs/dbraw/zinc/30/30/59/1005303059.db2.gz BUTZNGHGDLBPQV-VWLOTQADSA-N 2 1 405.586 3.914 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000514189618 1005304603 /nfs/dbraw/zinc/30/46/03/1005304603.db2.gz JCDKCMFFHRGDPU-HSZRJFAPSA-N 2 1 424.589 3.509 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000514217835 1005318413 /nfs/dbraw/zinc/31/84/13/1005318413.db2.gz FYLCBCWZHFBBAJ-HUVFLSCGSA-N 2 1 406.574 3.958 20 0 HHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)CC1 ZINC000503051107 1005328120 /nfs/dbraw/zinc/32/81/20/1005328120.db2.gz GLLKMNIKBBZGOB-UHFFFAOYSA-N 2 1 406.574 3.702 20 0 HHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)CC1 ZINC000503051107 1005328124 /nfs/dbraw/zinc/32/81/24/1005328124.db2.gz GLLKMNIKBBZGOB-UHFFFAOYSA-N 2 1 406.574 3.702 20 0 HHADMP C[C@@H]1CCN(CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)C[C@H]1n1ccnc1 ZINC000503078827 1005341254 /nfs/dbraw/zinc/34/12/54/1005341254.db2.gz ABXYFBPUQVJRPZ-DCEDVJGZSA-N 2 1 414.553 3.940 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[N@@H+]1CCc2sccc2C1 ZINC000503328515 1005391289 /nfs/dbraw/zinc/39/12/89/1005391289.db2.gz LODLVGGPLRUXJT-WOJBJXKFSA-N 2 1 418.651 3.648 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[N@H+]1CCc2sccc2C1 ZINC000503328515 1005391292 /nfs/dbraw/zinc/39/12/92/1005391292.db2.gz LODLVGGPLRUXJT-WOJBJXKFSA-N 2 1 418.651 3.648 20 0 HHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCCC[N@H+]3CCc4ccccc4C3)C2)CC1 ZINC000503398123 1005407900 /nfs/dbraw/zinc/40/79/00/1005407900.db2.gz ZTGAAVJUDHRIIA-QFIPXVFZSA-N 2 1 412.622 3.588 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000503401706 1005409040 /nfs/dbraw/zinc/40/90/40/1005409040.db2.gz QWDIRBCFTQGISQ-FIXSFTCYSA-N 2 1 412.622 3.975 20 0 HHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000503402257 1005409329 /nfs/dbraw/zinc/40/93/29/1005409329.db2.gz SPYPVHOJTAMQSM-ZEQRLZLVSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000503416834 1005413966 /nfs/dbraw/zinc/41/39/66/1005413966.db2.gz AUPLLXCLBXPTBS-XJUOHMSHSA-N 2 1 414.638 3.607 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000503416834 1005413969 /nfs/dbraw/zinc/41/39/69/1005413969.db2.gz AUPLLXCLBXPTBS-XJUOHMSHSA-N 2 1 414.638 3.607 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000503416834 1005413972 /nfs/dbraw/zinc/41/39/72/1005413972.db2.gz AUPLLXCLBXPTBS-XJUOHMSHSA-N 2 1 414.638 3.607 20 0 HHADMP O=C(CC[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1)NCc1ccccc1Cl ZINC000503418397 1005414595 /nfs/dbraw/zinc/41/45/95/1005414595.db2.gz ZVHZBQVRSMGQGH-SFHVURJKSA-N 2 1 400.954 3.759 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[NH+](C)C ZINC000503486696 1005434755 /nfs/dbraw/zinc/43/47/55/1005434755.db2.gz KFUFWUJYHFRZEG-IRLDBZIGSA-N 2 1 416.610 3.596 20 0 HHADMP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000504296832 1005591652 /nfs/dbraw/zinc/59/16/52/1005591652.db2.gz VEWGWQILTYJHQC-DHIUTWEWSA-N 2 1 406.574 3.841 20 0 HHADMP CCCN(CC[NH+]1CCCCCC1)C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000514411814 1005977585 /nfs/dbraw/zinc/97/75/85/1005977585.db2.gz IGDQLRAEVSEEQA-UHFFFAOYSA-N 2 1 405.493 3.933 20 0 HHADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cccc(OCc4ccccn4)c3)CC2)CC1 ZINC000514448669 1005995651 /nfs/dbraw/zinc/99/56/51/1005995651.db2.gz QJAPUSSUCXROTL-UHFFFAOYSA-N 2 1 408.590 3.651 20 0 HHADMP C[C@H](CCc1ccccc1)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000531167327 1006025768 /nfs/dbraw/zinc/02/57/68/1006025768.db2.gz BILHGMVNMHBJPY-JOCHJYFZSA-N 2 1 407.602 3.968 20 0 HHADMP C[N@@H+]1CC[C@@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000534098082 1006070158 /nfs/dbraw/zinc/07/01/58/1006070158.db2.gz ITVHSFLCWYCQJK-NHCUHLMSSA-N 2 1 404.986 3.603 20 0 HHADMP C[N@H+]1CC[C@@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000534098082 1006070172 /nfs/dbraw/zinc/07/01/72/1006070172.db2.gz ITVHSFLCWYCQJK-NHCUHLMSSA-N 2 1 404.986 3.603 20 0 HHADMP CCC(CC)(CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000531300485 1006103407 /nfs/dbraw/zinc/10/34/07/1006103407.db2.gz WMBDFAXTRWYCOI-HFZDXXHNSA-N 2 1 423.601 3.649 20 0 HHADMP CC(C)Oc1cccc(C[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000531405982 1006176985 /nfs/dbraw/zinc/17/69/85/1006176985.db2.gz RUGZIODWVPVFMR-UHFFFAOYSA-N 2 1 423.601 3.934 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[NH+](C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)c2cc1C ZINC000531427362 1006188450 /nfs/dbraw/zinc/18/84/50/1006188450.db2.gz ICRODQAYBJGIAF-QPTUXGOLSA-N 2 1 420.601 3.999 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[NH+](C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)c2cc1C ZINC000531427362 1006188452 /nfs/dbraw/zinc/18/84/52/1006188452.db2.gz ICRODQAYBJGIAF-QPTUXGOLSA-N 2 1 420.601 3.999 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[N@@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)c2cc1C ZINC000531427362 1006188456 /nfs/dbraw/zinc/18/84/56/1006188456.db2.gz ICRODQAYBJGIAF-QPTUXGOLSA-N 2 1 420.601 3.999 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[N@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)c2cc1C ZINC000531427362 1006188458 /nfs/dbraw/zinc/18/84/58/1006188458.db2.gz ICRODQAYBJGIAF-QPTUXGOLSA-N 2 1 420.601 3.999 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1CC(c2cccc(F)c2)C1 ZINC000531427186 1006188539 /nfs/dbraw/zinc/18/85/39/1006188539.db2.gz QDJUBHYAWPZJSJ-UHFFFAOYSA-N 2 1 415.597 3.974 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC3(CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000534227038 1006225176 /nfs/dbraw/zinc/22/51/76/1006225176.db2.gz SNLJYRXUFSJLQS-HSZRJFAPSA-N 2 1 412.622 3.662 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000534227038 1006225184 /nfs/dbraw/zinc/22/51/84/1006225184.db2.gz SNLJYRXUFSJLQS-HSZRJFAPSA-N 2 1 412.622 3.662 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000534227038 1006225195 /nfs/dbraw/zinc/22/51/95/1006225195.db2.gz SNLJYRXUFSJLQS-HSZRJFAPSA-N 2 1 412.622 3.662 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(Cl)cc2Br)CC1 ZINC000531602650 1006300508 /nfs/dbraw/zinc/30/05/08/1006300508.db2.gz JTTJOSNKZRZXCZ-UHFFFAOYSA-N 2 1 409.715 3.502 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000531621024 1006310506 /nfs/dbraw/zinc/31/05/06/1006310506.db2.gz XUSPRESCOHSXHB-PQNGQFLHSA-N 2 1 420.601 3.566 20 0 HHADMP C[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000531735352 1006388480 /nfs/dbraw/zinc/38/84/80/1006388480.db2.gz FOSGAXYUYUSJON-QPXQOZNCSA-N 2 1 400.588 3.897 20 0 HHADMP Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000515476573 1006489307 /nfs/dbraw/zinc/48/93/07/1006489307.db2.gz LYZZKUZNROPSAQ-PZJWPPBQSA-N 2 1 410.562 3.720 20 0 HHADMP Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000515476570 1006489467 /nfs/dbraw/zinc/48/94/67/1006489467.db2.gz LYZZKUZNROPSAQ-CTNGQTDRSA-N 2 1 410.562 3.720 20 0 HHADMP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3sccc3Br)cn2)CC1 ZINC000531937802 1006531865 /nfs/dbraw/zinc/53/18/65/1006531865.db2.gz LIAOBIYIBHGCMV-CQSZACIVSA-N 2 1 409.397 3.898 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(OC3CCC3)cc2Cl)CC1 ZINC000534645225 1006624854 /nfs/dbraw/zinc/62/48/54/1006624854.db2.gz UGZZYCHGBPLHKY-UHFFFAOYSA-N 2 1 400.910 3.670 20 0 HHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000532103235 1006637290 /nfs/dbraw/zinc/63/72/90/1006637290.db2.gz QERRGZMUKZWTMP-OAQYLSRUSA-N 2 1 414.619 3.726 20 0 HHADMP CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1 ZINC000515756368 1006645412 /nfs/dbraw/zinc/64/54/12/1006645412.db2.gz AOOXJFVFGNHCFT-OALUTQOASA-N 2 1 422.573 3.537 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)NCCc1ccc(F)cc1 ZINC000515756236 1006645673 /nfs/dbraw/zinc/64/56/73/1006645673.db2.gz SGZKBQGKWFQNRF-WOJBJXKFSA-N 2 1 411.565 3.895 20 0 HHADMP COc1ccc([C@H]([NH2+][C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000538392813 1006662684 /nfs/dbraw/zinc/66/26/84/1006662684.db2.gz OVCQSRVSQPNXCS-KUWBRRTOSA-N 2 1 407.558 3.515 20 0 HHADMP CCN(C(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000532155446 1006679794 /nfs/dbraw/zinc/67/97/94/1006679794.db2.gz WPDMEPQUBKIIMO-HSALFYBXSA-N 2 1 419.585 3.556 20 0 HHADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c(C)c1 ZINC000532188768 1006707204 /nfs/dbraw/zinc/70/72/04/1006707204.db2.gz XZVLAHKKFHQLGJ-FPOVZHCZSA-N 2 1 414.619 3.660 20 0 HHADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc2c(c1)OCCCO2 ZINC000532188484 1006707545 /nfs/dbraw/zinc/70/75/45/1006707545.db2.gz FJYKOQUNAXLJQT-HKUYNNGSSA-N 2 1 401.576 3.549 20 0 HHADMP C[N@@H+]1CC[C@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000534844074 1006864046 /nfs/dbraw/zinc/86/40/46/1006864046.db2.gz FTEKUQNOXQERCF-LEWJYISDSA-N 2 1 404.986 3.745 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000534844074 1006864052 /nfs/dbraw/zinc/86/40/52/1006864052.db2.gz FTEKUQNOXQERCF-LEWJYISDSA-N 2 1 404.986 3.745 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000534844074 1006864068 /nfs/dbraw/zinc/86/40/68/1006864068.db2.gz FTEKUQNOXQERCF-LEWJYISDSA-N 2 1 404.986 3.745 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000534844074 1006864076 /nfs/dbraw/zinc/86/40/76/1006864076.db2.gz FTEKUQNOXQERCF-LEWJYISDSA-N 2 1 404.986 3.745 20 0 HHADMP COc1cc(F)c([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1OC ZINC000532442180 1006885117 /nfs/dbraw/zinc/88/51/17/1006885117.db2.gz AWRDJOCJEIZEEZ-YJBOKZPZSA-N 2 1 407.555 3.544 20 0 HHADMP C[C@@H](Nc1cccc2cc[nH+]cc21)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000538628131 1006898498 /nfs/dbraw/zinc/89/84/98/1006898498.db2.gz PRCBJDWTPZEPKV-QGZVFWFLSA-N 2 1 412.559 3.638 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc3c(s2)-c2ccccc2OC3)CC1 ZINC000516207152 1006944374 /nfs/dbraw/zinc/94/43/74/1006944374.db2.gz XJTNJSOIBHXXCP-UHFFFAOYSA-N 2 1 406.511 3.707 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000516207614 1006944912 /nfs/dbraw/zinc/94/49/12/1006944912.db2.gz DNWOAVCZMNGSGK-UHFFFAOYSA-N 2 1 409.317 3.548 20 0 HHADMP C[C@H]1C[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000538723850 1007000789 /nfs/dbraw/zinc/00/07/89/1007000789.db2.gz DETVECICVDPUJH-CPJSRVTESA-N 2 1 411.565 3.863 20 0 HHADMP C[C@H]1C[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000538723850 1007000801 /nfs/dbraw/zinc/00/08/01/1007000801.db2.gz DETVECICVDPUJH-CPJSRVTESA-N 2 1 411.565 3.863 20 0 HHADMP CN(c1ccccc1C[N@H+]1CCC[C@H](c2noc(C3CC3)n2)C1)C1CC[NH+](C)CC1 ZINC000538760143 1007043802 /nfs/dbraw/zinc/04/38/02/1007043802.db2.gz UQYWAJWDIHRPCY-FQEVSTJZSA-N 2 1 409.578 3.857 20 0 HHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000532628142 1007050287 /nfs/dbraw/zinc/05/02/87/1007050287.db2.gz AWPOPKPRWDLLIF-XZOQPEGZSA-N 2 1 418.532 3.625 20 0 HHADMP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1OCc1ccccc1 ZINC000532628346 1007050342 /nfs/dbraw/zinc/05/03/42/1007050342.db2.gz GWHIQJLGWQBINI-PKTZIBPZSA-N 2 1 410.558 3.742 20 0 HHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000538796211 1007077449 /nfs/dbraw/zinc/07/74/49/1007077449.db2.gz USOZYDAIGMJURR-ILWGZMRPSA-N 2 1 402.970 3.826 20 0 HHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000538796211 1007077463 /nfs/dbraw/zinc/07/74/63/1007077463.db2.gz USOZYDAIGMJURR-ILWGZMRPSA-N 2 1 402.970 3.826 20 0 HHADMP C[C@H]1CO[C@H](c2noc(-c3ccccc3OCC[NH+](C)C)n2)C[N@@H+]1Cc1ccccc1 ZINC000516512427 1007122554 /nfs/dbraw/zinc/12/25/54/1007122554.db2.gz UGJVXRUBCOTGAM-AVRDEDQJSA-N 2 1 422.529 3.639 20 0 HHADMP C[C@H]1CO[C@H](c2noc(-c3ccccc3OCC[NH+](C)C)n2)C[N@H+]1Cc1ccccc1 ZINC000516512427 1007122561 /nfs/dbraw/zinc/12/25/61/1007122561.db2.gz UGJVXRUBCOTGAM-AVRDEDQJSA-N 2 1 422.529 3.639 20 0 HHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000538853657 1007128360 /nfs/dbraw/zinc/12/83/60/1007128360.db2.gz UIYURGXUPYEESX-HXUWFJFHSA-N 2 1 415.626 3.840 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCCOc2ccc(Cl)cc2Cl)CC1 ZINC000516625741 1007200188 /nfs/dbraw/zinc/20/01/88/1007200188.db2.gz LBKWPIPVADEMQN-UHFFFAOYSA-N 2 1 423.344 3.938 20 0 HHADMP CC[N@@H+](CCC1CCN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)CC1)CC1CC1 ZINC000538915800 1007200340 /nfs/dbraw/zinc/20/03/40/1007200340.db2.gz XBUAPWJQMXIXAN-XMMPIXPASA-N 2 1 412.622 3.654 20 0 HHADMP CC[NH+](CCC1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1)CC1CC1 ZINC000538915800 1007200349 /nfs/dbraw/zinc/20/03/49/1007200349.db2.gz XBUAPWJQMXIXAN-XMMPIXPASA-N 2 1 412.622 3.654 20 0 HHADMP CC[NH+](CCC1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1)CC1CC1 ZINC000538915800 1007200355 /nfs/dbraw/zinc/20/03/55/1007200355.db2.gz XBUAPWJQMXIXAN-XMMPIXPASA-N 2 1 412.622 3.654 20 0 HHADMP CCC1(CNC(=O)NC[C@H](C)Cn2cc[nH+]c2C)CC[NH+](Cc2ccccc2)CC1 ZINC000532832260 1007216513 /nfs/dbraw/zinc/21/65/13/1007216513.db2.gz GTKCZVYUIJVOPW-FQEVSTJZSA-N 2 1 411.594 3.819 20 0 HHADMP Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538945155 1007229320 /nfs/dbraw/zinc/22/93/20/1007229320.db2.gz WDIXCFNZSCOPHQ-NRFANRHFSA-N 2 1 408.590 3.676 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000516684501 1007230950 /nfs/dbraw/zinc/23/09/50/1007230950.db2.gz FLMUDSDCCDSELJ-ZVDOUQERSA-N 2 1 400.611 3.625 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000516685492 1007232199 /nfs/dbraw/zinc/23/21/99/1007232199.db2.gz WHAFMRWGKUIUGJ-NVQXNPDNSA-N 2 1 407.602 3.573 20 0 HHADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)NC(=O)Nc2ccccc2F)CC1)CC1CC1 ZINC000538951815 1007239489 /nfs/dbraw/zinc/23/94/89/1007239489.db2.gz YOZZRLLQBTUDEA-KRWDZBQOSA-N 2 1 418.557 3.696 20 0 HHADMP CC[NH+](CC)CC1CC[NH+](Cc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)CC1 ZINC000538966446 1007257087 /nfs/dbraw/zinc/25/70/87/1007257087.db2.gz KXOWLYAWSNNVMT-HNNXBMFYSA-N 2 1 401.624 3.952 20 0 HHADMP CC(C)(C)c1ccc(C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)s1 ZINC000532879457 1007263338 /nfs/dbraw/zinc/26/33/38/1007263338.db2.gz JZXLCGUVDDBQDW-UHFFFAOYSA-N 2 1 415.603 3.996 20 0 HHADMP CC(C)[NH+]1CCC([N@H+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)CC1 ZINC000532948492 1007318623 /nfs/dbraw/zinc/31/86/23/1007318623.db2.gz CZWZZLBGLGYRTO-HNNXBMFYSA-N 2 1 401.624 3.745 20 0 HHADMP CC(C)[NH+]1CCC([N@@H+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)CC1 ZINC000532948492 1007318633 /nfs/dbraw/zinc/31/86/33/1007318633.db2.gz CZWZZLBGLGYRTO-HNNXBMFYSA-N 2 1 401.624 3.745 20 0 HHADMP COCC[NH+]1CCC([NH2+]CCOc2ccc3cc(Br)ccc3c2)CC1 ZINC000539041150 1007338592 /nfs/dbraw/zinc/33/85/92/1007338592.db2.gz SRAMAURDXRTSHE-UHFFFAOYSA-N 2 1 407.352 3.682 20 0 HHADMP C[C@H](Cn1cc(Br)cn1)[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000539042748 1007340086 /nfs/dbraw/zinc/34/00/86/1007340086.db2.gz JLOZDTDXJCONSF-AOIWGVFYSA-N 2 1 405.384 3.924 20 0 HHADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2cccc(NC(=O)c3ccc(OC)cc3)c2)[C@H](C)C1 ZINC000539083137 1007372650 /nfs/dbraw/zinc/37/26/50/1007372650.db2.gz WPRMWCZDIBOHQY-JPYJTQIMSA-N 2 1 411.546 3.646 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@H](C3CCCCC3)[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000517089813 1007402824 /nfs/dbraw/zinc/40/28/24/1007402824.db2.gz DQUJEDDARHRQPX-DNVFCKCGSA-N 2 1 401.595 3.536 20 0 HHADMP O=C(C[N@H+]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000533045894 1007407342 /nfs/dbraw/zinc/40/73/42/1007407342.db2.gz MUBPGOPMQCCWLL-FQEVSTJZSA-N 2 1 409.496 3.975 20 0 HHADMP O=C(C[N@@H+]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000533045894 1007407346 /nfs/dbraw/zinc/40/73/46/1007407346.db2.gz MUBPGOPMQCCWLL-FQEVSTJZSA-N 2 1 409.496 3.975 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000535366295 1007424162 /nfs/dbraw/zinc/42/41/62/1007424162.db2.gz KBUOICXHIFAPEO-GOUWZUTHSA-N 2 1 406.574 3.642 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000535366295 1007424170 /nfs/dbraw/zinc/42/41/70/1007424170.db2.gz KBUOICXHIFAPEO-GOUWZUTHSA-N 2 1 406.574 3.642 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000535366295 1007424177 /nfs/dbraw/zinc/42/41/77/1007424177.db2.gz KBUOICXHIFAPEO-GOUWZUTHSA-N 2 1 406.574 3.642 20 0 HHADMP COc1ccc(-c2csc(NC(=O)[C@H](C)[NH+]3CCC(CC[NH+](C)C)CC3)n2)cc1 ZINC000533248450 1007566761 /nfs/dbraw/zinc/56/67/61/1007566761.db2.gz OSTQFQRCTHKVMH-INIZCTEOSA-N 2 1 416.591 3.809 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000517332435 1007573281 /nfs/dbraw/zinc/57/32/81/1007573281.db2.gz IRFGCYMSXRSMFL-MZKRTTBSSA-N 2 1 412.622 3.981 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000517332435 1007573288 /nfs/dbraw/zinc/57/32/88/1007573288.db2.gz IRFGCYMSXRSMFL-MZKRTTBSSA-N 2 1 412.622 3.981 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000517332435 1007573297 /nfs/dbraw/zinc/57/32/97/1007573297.db2.gz IRFGCYMSXRSMFL-MZKRTTBSSA-N 2 1 412.622 3.981 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)CC1 ZINC000533271356 1007585914 /nfs/dbraw/zinc/58/59/14/1007585914.db2.gz FPLJMWZHLYUNML-QGZVFWFLSA-N 2 1 402.608 3.695 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)o1 ZINC000535559509 1007593339 /nfs/dbraw/zinc/59/33/39/1007593339.db2.gz QNCKEXOWYMNQJA-RTWAWAEBSA-N 2 1 418.969 3.760 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)o1 ZINC000535559509 1007593350 /nfs/dbraw/zinc/59/33/50/1007593350.db2.gz QNCKEXOWYMNQJA-RTWAWAEBSA-N 2 1 418.969 3.760 20 0 HHADMP C[N@@H+]1CC[C@H](NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000535560014 1007593590 /nfs/dbraw/zinc/59/35/90/1007593590.db2.gz PUHPZEXQZMZNHG-QHAWAJNXSA-N 2 1 404.986 3.745 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000535560014 1007593601 /nfs/dbraw/zinc/59/36/01/1007593601.db2.gz PUHPZEXQZMZNHG-QHAWAJNXSA-N 2 1 404.986 3.745 20 0 HHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc3cnccn23)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000533329940 1007639851 /nfs/dbraw/zinc/63/98/51/1007639851.db2.gz XQHNAPJHPAUFJI-JXFKEZNVSA-N 2 1 403.452 3.921 20 0 HHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc3cnccn23)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000533329940 1007639856 /nfs/dbraw/zinc/63/98/56/1007639856.db2.gz XQHNAPJHPAUFJI-JXFKEZNVSA-N 2 1 403.452 3.921 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(N2CCCC2)c1 ZINC000539377104 1007682414 /nfs/dbraw/zinc/68/24/14/1007682414.db2.gz LAHZGGCVPVMQHA-ZFGGDYGUSA-N 2 1 420.601 3.717 20 0 HHADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)CC1 ZINC000539378569 1007683635 /nfs/dbraw/zinc/68/36/35/1007683635.db2.gz GHCGMBWVOBJVEM-QFIPXVFZSA-N 2 1 420.601 3.590 20 0 HHADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000539394240 1007699728 /nfs/dbraw/zinc/69/97/28/1007699728.db2.gz CRGRBQFJMYQNSO-QFIPXVFZSA-N 2 1 407.558 3.613 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000517566873 1007774371 /nfs/dbraw/zinc/77/43/71/1007774371.db2.gz USSMMQSYVPARDF-SLFFLAALSA-N 2 1 411.594 3.805 20 0 HHADMP CCCN(C(=O)NC[C@H](C)Cn1cc[nH+]c1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000517569193 1007775633 /nfs/dbraw/zinc/77/56/33/1007775633.db2.gz IRVJJDSENJYMEJ-NZQKXSOJSA-N 2 1 411.594 3.914 20 0 HHADMP CCCN(C(=O)NC[C@H](C)Cn1cc[nH+]c1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000517569193 1007775640 /nfs/dbraw/zinc/77/56/40/1007775640.db2.gz IRVJJDSENJYMEJ-NZQKXSOJSA-N 2 1 411.594 3.914 20 0 HHADMP CCCC[NH+]1CCC(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000517606597 1007809646 /nfs/dbraw/zinc/80/96/46/1007809646.db2.gz DRQRFCUDLPVHEN-NRFANRHFSA-N 2 1 411.512 3.822 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000535809207 1007819952 /nfs/dbraw/zinc/81/99/52/1007819952.db2.gz LJXUAWLABZONKU-DNVJHFABSA-N 2 1 410.606 3.912 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000535809207 1007819963 /nfs/dbraw/zinc/81/99/63/1007819963.db2.gz LJXUAWLABZONKU-DNVJHFABSA-N 2 1 410.606 3.912 20 0 HHADMP C[C@H](C(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000517636068 1007844953 /nfs/dbraw/zinc/84/49/53/1007844953.db2.gz OSSQOYZJXCTDAB-NHCUHLMSSA-N 2 1 405.586 3.982 20 0 HHADMP C[C@H](C(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000517636068 1007844963 /nfs/dbraw/zinc/84/49/63/1007844963.db2.gz OSSQOYZJXCTDAB-NHCUHLMSSA-N 2 1 405.586 3.982 20 0 HHADMP C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000517636068 1007844986 /nfs/dbraw/zinc/84/49/86/1007844986.db2.gz OSSQOYZJXCTDAB-NHCUHLMSSA-N 2 1 405.586 3.982 20 0 HHADMP C[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000517636068 1007844993 /nfs/dbraw/zinc/84/49/93/1007844993.db2.gz OSSQOYZJXCTDAB-NHCUHLMSSA-N 2 1 405.586 3.982 20 0 HHADMP CCCOc1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1OCCC ZINC000517650955 1007862755 /nfs/dbraw/zinc/86/27/55/1007862755.db2.gz NVCJANQOFAZGNA-UHFFFAOYSA-N 2 1 412.534 3.663 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539615474 1007930625 /nfs/dbraw/zinc/93/06/25/1007930625.db2.gz FUNGEHBLXXUMOQ-NHCUHLMSSA-N 2 1 422.976 3.929 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539615474 1007930630 /nfs/dbraw/zinc/93/06/30/1007930630.db2.gz FUNGEHBLXXUMOQ-NHCUHLMSSA-N 2 1 422.976 3.929 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)cc2)C1 ZINC000535942100 1007974025 /nfs/dbraw/zinc/97/40/25/1007974025.db2.gz FTTBULVVPPTDIE-RDPSFJRHSA-N 2 1 412.622 3.792 20 0 HHADMP CN(C(=O)NCc1cc2ccccc2o1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000533665965 1007981308 /nfs/dbraw/zinc/98/13/08/1007981308.db2.gz XDDPMRYMWHRTES-FCHUYYIVSA-N 2 1 412.578 3.911 20 0 HHADMP Cc1cnn([C@@H]2CC[N@@H+](Cc3cccc(C[NH+]4CC[C@H](n5cc(C)cn5)C4)c3)C2)c1 ZINC000518014526 1008103417 /nfs/dbraw/zinc/10/34/17/1008103417.db2.gz MNOPFRFOHOOKGS-PSWAGMNNSA-N 2 1 404.562 3.590 20 0 HHADMP Cc1cnn([C@@H]2CC[NH+](Cc3cccc(C[N@@H+]4CC[C@H](n5cc(C)cn5)C4)c3)C2)c1 ZINC000518014526 1008103423 /nfs/dbraw/zinc/10/34/23/1008103423.db2.gz MNOPFRFOHOOKGS-PSWAGMNNSA-N 2 1 404.562 3.590 20 0 HHADMP Cc1cnn([C@@H]2CC[NH+](Cc3cccc(C[N@H+]4CC[C@H](n5cc(C)cn5)C4)c3)C2)c1 ZINC000518014526 1008103431 /nfs/dbraw/zinc/10/34/31/1008103431.db2.gz MNOPFRFOHOOKGS-PSWAGMNNSA-N 2 1 404.562 3.590 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1F ZINC000536096808 1008119758 /nfs/dbraw/zinc/11/97/58/1008119758.db2.gz VRHMAUGXWJPKPK-IRLDBZIGSA-N 2 1 407.493 3.564 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1F ZINC000536096808 1008119760 /nfs/dbraw/zinc/11/97/60/1008119760.db2.gz VRHMAUGXWJPKPK-IRLDBZIGSA-N 2 1 407.493 3.564 20 0 HHADMP CC[NH+](CC)CCOc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000536100532 1008124583 /nfs/dbraw/zinc/12/45/83/1008124583.db2.gz VWNHIRNWKMZRRP-LADGPHEKSA-N 2 1 424.589 3.652 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)C[NH+]1Cc1ccccc1 ZINC000533847010 1008153298 /nfs/dbraw/zinc/15/32/98/1008153298.db2.gz FXARSSFQZALBNF-IZIIKQMZSA-N 2 1 406.574 3.773 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)C[NH+]1Cc1ccccc1 ZINC000533847010 1008153302 /nfs/dbraw/zinc/15/33/02/1008153302.db2.gz FXARSSFQZALBNF-IZIIKQMZSA-N 2 1 406.574 3.773 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N[C@H]2C[NH+](C)Cc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC000533847010 1008153306 /nfs/dbraw/zinc/15/33/06/1008153306.db2.gz FXARSSFQZALBNF-IZIIKQMZSA-N 2 1 406.574 3.773 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N[C@H]2C[NH+](C)Cc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000533847010 1008153312 /nfs/dbraw/zinc/15/33/12/1008153312.db2.gz FXARSSFQZALBNF-IZIIKQMZSA-N 2 1 406.574 3.773 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)[C@H]1c1ccccc1 ZINC000533893431 1008186957 /nfs/dbraw/zinc/18/69/57/1008186957.db2.gz WMZXCTFGGUXMOZ-FCHUYYIVSA-N 2 1 412.603 3.705 20 0 HHADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1)CC1CC1 ZINC000540047012 1008256773 /nfs/dbraw/zinc/25/67/73/1008256773.db2.gz LCDNXPWREHVEKT-WMZHIEFXSA-N 2 1 413.606 3.849 20 0 HHADMP CCC[N@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000518451162 1008312748 /nfs/dbraw/zinc/31/27/48/1008312748.db2.gz OOVIZUKMBTZEOX-PCCBWWKXSA-N 2 1 400.611 3.696 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1nc(-c2ccccc2)cs1 ZINC000540169604 1008320298 /nfs/dbraw/zinc/32/02/98/1008320298.db2.gz LZSSMGRMUAMXBZ-QGZVFWFLSA-N 2 1 408.571 3.952 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1cccc(S(N)(=O)=O)c1 ZINC000540257959 1008357557 /nfs/dbraw/zinc/35/75/57/1008357557.db2.gz ADTWCBADCIHONH-ROUUACIJSA-N 2 1 401.576 3.559 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1cccc(S(N)(=O)=O)c1 ZINC000540257959 1008357558 /nfs/dbraw/zinc/35/75/58/1008357558.db2.gz ADTWCBADCIHONH-ROUUACIJSA-N 2 1 401.576 3.559 20 0 HHADMP COC[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc(F)c(F)c1 ZINC000540405630 1008418988 /nfs/dbraw/zinc/41/89/88/1008418988.db2.gz CSLIHPZCDXRICR-XZOQPEGZSA-N 2 1 403.517 3.621 20 0 HHADMP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000518835808 1008439682 /nfs/dbraw/zinc/43/96/82/1008439682.db2.gz NCRBPJNONLGJGW-PCCBWWKXSA-N 2 1 404.986 3.621 20 0 HHADMP O=C(NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000518835808 1008439683 /nfs/dbraw/zinc/43/96/83/1008439683.db2.gz NCRBPJNONLGJGW-PCCBWWKXSA-N 2 1 404.986 3.621 20 0 HHADMP O=C(NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000518835808 1008439684 /nfs/dbraw/zinc/43/96/84/1008439684.db2.gz NCRBPJNONLGJGW-PCCBWWKXSA-N 2 1 404.986 3.621 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NC(=O)Nc2ccc(C)cc2C)cc1 ZINC000540467785 1008442712 /nfs/dbraw/zinc/44/27/12/1008442712.db2.gz WSNRBTJXHLWQEZ-QGZVFWFLSA-N 2 1 405.502 3.796 20 0 HHADMP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000519012092 1008500744 /nfs/dbraw/zinc/50/07/44/1008500744.db2.gz OPOLGMPKKLPKDQ-JIMJEQGWSA-N 3 1 412.666 3.540 20 0 HHADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000519012092 1008500747 /nfs/dbraw/zinc/50/07/47/1008500747.db2.gz OPOLGMPKKLPKDQ-JIMJEQGWSA-N 3 1 412.666 3.540 20 0 HHADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000519012092 1008500750 /nfs/dbraw/zinc/50/07/50/1008500750.db2.gz OPOLGMPKKLPKDQ-JIMJEQGWSA-N 3 1 412.666 3.540 20 0 HHADMP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000519012094 1008500871 /nfs/dbraw/zinc/50/08/71/1008500871.db2.gz OPOLGMPKKLPKDQ-TWJOJJKGSA-N 3 1 412.666 3.540 20 0 HHADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000519012094 1008500873 /nfs/dbraw/zinc/50/08/73/1008500873.db2.gz OPOLGMPKKLPKDQ-TWJOJJKGSA-N 3 1 412.666 3.540 20 0 HHADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000519012094 1008500875 /nfs/dbraw/zinc/50/08/75/1008500875.db2.gz OPOLGMPKKLPKDQ-TWJOJJKGSA-N 3 1 412.666 3.540 20 0 HHADMP CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000549039906 1008608285 /nfs/dbraw/zinc/60/82/85/1008608285.db2.gz SEESCIXNUQDTDP-RPBOFIJWSA-N 2 1 421.585 3.692 20 0 HHADMP CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000549039906 1008608291 /nfs/dbraw/zinc/60/82/91/1008608291.db2.gz SEESCIXNUQDTDP-RPBOFIJWSA-N 2 1 421.585 3.692 20 0 HHADMP COc1ccc(C[C@H](C)C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1F ZINC000545593072 1008692988 /nfs/dbraw/zinc/69/29/88/1008692988.db2.gz GYINRRGNTSAKEX-AVRDEDQJSA-N 2 1 400.538 3.759 20 0 HHADMP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000543152947 1008726430 /nfs/dbraw/zinc/72/64/30/1008726430.db2.gz QUEMXQGASMBAJK-JWQCQUIFSA-N 2 1 421.585 3.692 20 0 HHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000543152947 1008726442 /nfs/dbraw/zinc/72/64/42/1008726442.db2.gz QUEMXQGASMBAJK-JWQCQUIFSA-N 2 1 421.585 3.692 20 0 HHADMP CCCOc1cccc(CNC(=O)CN[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000549164015 1008735062 /nfs/dbraw/zinc/73/50/62/1008735062.db2.gz CHUJWZBXTJHENG-DEOSSOPVSA-N 2 1 423.601 3.982 20 0 HHADMP CCCOc1cccc(CNC(=O)C[NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)c1 ZINC000549164015 1008735070 /nfs/dbraw/zinc/73/50/70/1008735070.db2.gz CHUJWZBXTJHENG-DEOSSOPVSA-N 2 1 423.601 3.982 20 0 HHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000549164575 1008735601 /nfs/dbraw/zinc/73/56/01/1008735601.db2.gz ICQLCCQGZPKXQF-GBXCKJPGSA-N 2 1 407.558 3.798 20 0 HHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000549164575 1008735609 /nfs/dbraw/zinc/73/56/09/1008735609.db2.gz ICQLCCQGZPKXQF-GBXCKJPGSA-N 2 1 407.558 3.798 20 0 HHADMP CCOC(=O)c1ccc(NC(=O)CN[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000549164529 1008735728 /nfs/dbraw/zinc/73/57/28/1008735728.db2.gz HGGZURXRILWNEA-QFIPXVFZSA-N 2 1 423.557 3.692 20 0 HHADMP CCOC(=O)c1ccc(NC(=O)C[NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)cc1 ZINC000549164529 1008735740 /nfs/dbraw/zinc/73/57/40/1008735740.db2.gz HGGZURXRILWNEA-QFIPXVFZSA-N 2 1 423.557 3.692 20 0 HHADMP O=C(N[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000519362201 1008762285 /nfs/dbraw/zinc/76/22/85/1008762285.db2.gz WHBOSQZRDMDRLE-UPVQGACJSA-N 2 1 409.549 3.819 20 0 HHADMP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000519362201 1008762295 /nfs/dbraw/zinc/76/22/95/1008762295.db2.gz WHBOSQZRDMDRLE-UPVQGACJSA-N 2 1 409.549 3.819 20 0 HHADMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000519362201 1008762308 /nfs/dbraw/zinc/76/23/08/1008762308.db2.gz WHBOSQZRDMDRLE-UPVQGACJSA-N 2 1 409.549 3.819 20 0 HHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000549209381 1008780680 /nfs/dbraw/zinc/78/06/80/1008780680.db2.gz MIEMJSTVYNLXSR-XZOQPEGZSA-N 2 1 412.622 3.947 20 0 HHADMP C[N@@H+]1[C@@H]2CC[C@H]1CC([C@@H](NC(=O)NC[C@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1)C2 ZINC000549231552 1008801434 /nfs/dbraw/zinc/80/14/34/1008801434.db2.gz JGSUFJNDAADWSM-FJXZYEQHSA-N 2 1 419.013 3.895 20 0 HHADMP C[NH+]1[C@@H]2CC[C@H]1CC([C@@H](NC(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1)C2 ZINC000549231552 1008801459 /nfs/dbraw/zinc/80/14/59/1008801459.db2.gz JGSUFJNDAADWSM-FJXZYEQHSA-N 2 1 419.013 3.895 20 0 HHADMP C[NH+]1[C@@H]2CC[C@H]1CC([C@@H](NC(=O)NC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1)C2 ZINC000549231552 1008801475 /nfs/dbraw/zinc/80/14/75/1008801475.db2.gz JGSUFJNDAADWSM-FJXZYEQHSA-N 2 1 419.013 3.895 20 0 HHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000543395705 1008985745 /nfs/dbraw/zinc/98/57/45/1008985745.db2.gz QYNRMZAQEMSWIL-UHFFFAOYSA-N 2 1 401.308 3.849 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000543418521 1009010368 /nfs/dbraw/zinc/01/03/68/1009010368.db2.gz GVQRJQDSTJUWHN-QFIPXVFZSA-N 2 1 409.574 3.716 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)[NH+](C)C ZINC000549451012 1009041500 /nfs/dbraw/zinc/04/15/00/1009041500.db2.gz VPUURYLPFAWIPZ-PMACEKPBSA-N 2 1 418.969 3.553 20 0 HHADMP CCOc1ccc([C@H](C)NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1OC ZINC000543460467 1009047312 /nfs/dbraw/zinc/04/73/12/1009047312.db2.gz MVTDGXFVDBSMCC-HBFSDRIKSA-N 2 1 417.594 3.514 20 0 HHADMP CCOc1ccc([C@H](C)NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000543460467 1009047334 /nfs/dbraw/zinc/04/73/34/1009047334.db2.gz MVTDGXFVDBSMCC-HBFSDRIKSA-N 2 1 417.594 3.514 20 0 HHADMP CN1CC[NH+](CC2(C)CC[NH+]([C@H](C(=O)Nc3ccccc3)c3ccccc3)CC2)CC1 ZINC000543523559 1009115138 /nfs/dbraw/zinc/11/51/38/1009115138.db2.gz GTZKJXQMMMFKRN-DEOSSOPVSA-N 2 1 420.601 3.716 20 0 HHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000549584417 1009210310 /nfs/dbraw/zinc/21/03/10/1009210310.db2.gz LOPLMEHEDHDECC-HSZRJFAPSA-N 2 1 412.622 3.947 20 0 HHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000549584417 1009210317 /nfs/dbraw/zinc/21/03/17/1009210317.db2.gz LOPLMEHEDHDECC-HSZRJFAPSA-N 2 1 412.622 3.947 20 0 HHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000549584417 1009210326 /nfs/dbraw/zinc/21/03/26/1009210326.db2.gz LOPLMEHEDHDECC-HSZRJFAPSA-N 2 1 412.622 3.947 20 0 HHADMP CC(C)(C)OC(=O)C1CCC([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CC1 ZINC000543764322 1009334541 /nfs/dbraw/zinc/33/45/41/1009334541.db2.gz XAAQUAHTMBRZQC-UDJZJCJKSA-N 2 1 402.579 3.633 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000520205961 1009340207 /nfs/dbraw/zinc/34/02/07/1009340207.db2.gz KYGCNYBLZVKFSC-OYRHEFFESA-N 2 1 401.595 3.536 20 0 HHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)C1 ZINC000543775789 1009344584 /nfs/dbraw/zinc/34/45/84/1009344584.db2.gz UQUWQCOJDRTOCN-OXJNMPFZSA-N 2 1 419.338 3.932 20 0 HHADMP CC(C)(C)[N@H+]1CCCN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000520215330 1009346386 /nfs/dbraw/zinc/34/63/86/1009346386.db2.gz BVWZCDLNUPQPLG-FQEVSTJZSA-N 2 1 407.002 3.993 20 0 HHADMP CC[C@@H](C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)ccc1F)[NH+](CC)CC ZINC000546601354 1009622226 /nfs/dbraw/zinc/62/22/26/1009622226.db2.gz BQDQYHPSFHZPDU-JXFKEZNVSA-N 2 1 406.546 3.698 20 0 HHADMP CC[C@@H](C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F)[NH+](CC)CC ZINC000546601354 1009622240 /nfs/dbraw/zinc/62/22/40/1009622240.db2.gz BQDQYHPSFHZPDU-JXFKEZNVSA-N 2 1 406.546 3.698 20 0 HHADMP C[C@H](NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000544041467 1009643931 /nfs/dbraw/zinc/64/39/31/1009643931.db2.gz NCZUXFBBXUZSGW-IVDHNXQLSA-N 2 1 414.594 3.548 20 0 HHADMP C[C@H]([NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544070216 1009673006 /nfs/dbraw/zinc/67/30/06/1009673006.db2.gz LNLRFRXLNBJEML-NBHGPNQESA-N 2 1 419.491 3.602 20 0 HHADMP C[C@H]([NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544070216 1009673014 /nfs/dbraw/zinc/67/30/14/1009673014.db2.gz LNLRFRXLNBJEML-NBHGPNQESA-N 2 1 419.491 3.602 20 0 HHADMP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C1 ZINC000550139291 1009722998 /nfs/dbraw/zinc/72/29/98/1009722998.db2.gz BTYWTIWJRZBDKB-CTNGQTDRSA-N 2 1 405.583 3.995 20 0 HHADMP COc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c(OC)c1 ZINC000550263047 1009813977 /nfs/dbraw/zinc/81/39/77/1009813977.db2.gz UCBPDJMDSMDXMN-QFIPXVFZSA-N 2 1 410.558 3.722 20 0 HHADMP COc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c(OC)c1 ZINC000550263047 1009813993 /nfs/dbraw/zinc/81/39/93/1009813993.db2.gz UCBPDJMDSMDXMN-QFIPXVFZSA-N 2 1 410.558 3.722 20 0 HHADMP CC[C@@H](C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000550280387 1009828229 /nfs/dbraw/zinc/82/82/29/1009828229.db2.gz LLBPXIWFMJNNKX-IMSXRSKXSA-N 2 1 415.622 3.635 20 0 HHADMP CC[C@@H](C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[NH+](C)Cc1ccccc1 ZINC000550280387 1009828249 /nfs/dbraw/zinc/82/82/49/1009828249.db2.gz LLBPXIWFMJNNKX-IMSXRSKXSA-N 2 1 415.622 3.635 20 0 HHADMP CC[C@@H](C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[NH+](C)Cc1ccccc1 ZINC000550280387 1009828278 /nfs/dbraw/zinc/82/82/78/1009828278.db2.gz LLBPXIWFMJNNKX-IMSXRSKXSA-N 2 1 415.622 3.635 20 0 HHADMP COCCn1cc2c(n1)[C@H]([NH2+][C@@H]1CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CCC2 ZINC000546936190 1009895765 /nfs/dbraw/zinc/89/57/65/1009895765.db2.gz VRDHTHSZMZVNNW-MSNJVRRCSA-N 2 1 408.590 3.797 20 0 HHADMP COCCn1cc2c(n1)[C@H]([NH2+][C@@H]1CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CCC2 ZINC000546936190 1009895779 /nfs/dbraw/zinc/89/57/79/1009895779.db2.gz VRDHTHSZMZVNNW-MSNJVRRCSA-N 2 1 408.590 3.797 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccco1 ZINC000520855997 1009910648 /nfs/dbraw/zinc/91/06/48/1009910648.db2.gz DIEJZCOXHARPJD-XQBPLPMBSA-N 2 1 413.562 3.702 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccco1 ZINC000520855997 1009910656 /nfs/dbraw/zinc/91/06/56/1009910656.db2.gz DIEJZCOXHARPJD-XQBPLPMBSA-N 2 1 413.562 3.702 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccco1 ZINC000520993927 1010032804 /nfs/dbraw/zinc/03/28/04/1010032804.db2.gz DEFUJASJVDLRKI-TZIWHRDSSA-N 2 1 401.526 3.830 20 0 HHADMP C[C@H]([NH2+]CC(=O)NCc1ccc(F)cc1C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544420565 1010038798 /nfs/dbraw/zinc/03/87/98/1010038798.db2.gz IOJLRMDEHQTBJL-GOEBONIOSA-N 2 1 415.475 3.703 20 0 HHADMP C[C@H]([NH2+]CC(=O)NCc1ccc(F)cc1C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544420565 1010038811 /nfs/dbraw/zinc/03/88/11/1010038811.db2.gz IOJLRMDEHQTBJL-GOEBONIOSA-N 2 1 415.475 3.703 20 0 HHADMP Cc1cc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n(-c2ccccc2F)n1 ZINC000544423540 1010044856 /nfs/dbraw/zinc/04/48/56/1010044856.db2.gz FEHQSSCJJJWFIF-ZWKOTPCHSA-N 2 1 413.541 3.501 20 0 HHADMP Cc1cc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n(-c2ccccc2F)n1 ZINC000544423540 1010044868 /nfs/dbraw/zinc/04/48/68/1010044868.db2.gz FEHQSSCJJJWFIF-ZWKOTPCHSA-N 2 1 413.541 3.501 20 0 HHADMP C[N@H+]1CC[C@H](Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C[C@H]1c1ccccc1 ZINC000551130103 1010390909 /nfs/dbraw/zinc/39/09/09/1010390909.db2.gz RZLGOGZSZDXCSZ-ZEQRLZLVSA-N 2 1 406.574 3.631 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000544818819 1010411643 /nfs/dbraw/zinc/41/16/43/1010411643.db2.gz YBJCKCRTADDWOO-QFIPXVFZSA-N 2 1 400.611 3.662 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1ccccc1 ZINC000547786421 1010426664 /nfs/dbraw/zinc/42/66/64/1010426664.db2.gz CADAALHLOUTISQ-PZJWPPBQSA-N 2 1 422.598 3.895 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1ccccc1 ZINC000547786421 1010426671 /nfs/dbraw/zinc/42/66/71/1010426671.db2.gz CADAALHLOUTISQ-PZJWPPBQSA-N 2 1 422.598 3.895 20 0 HHADMP C[C@H]([NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547828486 1010441339 /nfs/dbraw/zinc/44/13/39/1010441339.db2.gz LKSHPDJWVHURAI-ZWSUVBHBSA-N 2 1 411.565 3.699 20 0 HHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000547862848 1010455979 /nfs/dbraw/zinc/45/59/79/1010455979.db2.gz XSVZFIQKYSWKBB-VXKWHMMOSA-N 2 1 409.578 3.530 20 0 HHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000547862848 1010455982 /nfs/dbraw/zinc/45/59/82/1010455982.db2.gz XSVZFIQKYSWKBB-VXKWHMMOSA-N 2 1 409.578 3.530 20 0 HHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](C)c3c(C)cccc3C)CC2)cc1 ZINC000544898425 1010473920 /nfs/dbraw/zinc/47/39/20/1010473920.db2.gz NPXOIZMDLNSGER-NRFANRHFSA-N 2 1 409.574 3.697 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](C)c3c(C)cccc3C)CC2)cc1 ZINC000544898425 1010473930 /nfs/dbraw/zinc/47/39/30/1010473930.db2.gz NPXOIZMDLNSGER-NRFANRHFSA-N 2 1 409.574 3.697 20 0 HHADMP C[N@H+](CCC(F)(F)F)[C@H](CNC(=O)NC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000551263066 1010479741 /nfs/dbraw/zinc/47/97/41/1010479741.db2.gz GBGADGMSUGXIMA-QGZVFWFLSA-N 2 1 420.907 3.659 20 0 HHADMP C[N@@H+](CCC(F)(F)F)[C@H](CNC(=O)NC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000551263066 1010479746 /nfs/dbraw/zinc/47/97/46/1010479746.db2.gz GBGADGMSUGXIMA-QGZVFWFLSA-N 2 1 420.907 3.659 20 0 HHADMP C[N@H+](CCC(F)(F)F)[C@@H](CNC(=O)NC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000551263065 1010479781 /nfs/dbraw/zinc/47/97/81/1010479781.db2.gz GBGADGMSUGXIMA-KRWDZBQOSA-N 2 1 420.907 3.659 20 0 HHADMP C[N@@H+](CCC(F)(F)F)[C@@H](CNC(=O)NC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000551263065 1010479786 /nfs/dbraw/zinc/47/97/86/1010479786.db2.gz GBGADGMSUGXIMA-KRWDZBQOSA-N 2 1 420.907 3.659 20 0 HHADMP CC(C)[NH+](C)CC1CCN(c2cc(N3CCC(C[N@H+](C)C(C)C)CC3)ncn2)CC1 ZINC000548445495 1010630140 /nfs/dbraw/zinc/63/01/40/1010630140.db2.gz RGEYFSCAKYUDRE-UHFFFAOYSA-N 2 1 416.658 3.590 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548482138 1010641203 /nfs/dbraw/zinc/64/12/03/1010641203.db2.gz XNJIGGCYZHDQJZ-XUZZJYLKSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@H](NCc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548482138 1010641210 /nfs/dbraw/zinc/64/12/10/1010641210.db2.gz XNJIGGCYZHDQJZ-XUZZJYLKSA-N 2 1 407.602 3.644 20 0 HHADMP C[C@H](NCc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548482138 1010641214 /nfs/dbraw/zinc/64/12/14/1010641214.db2.gz XNJIGGCYZHDQJZ-XUZZJYLKSA-N 2 1 407.602 3.644 20 0 HHADMP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483053 1010641865 /nfs/dbraw/zinc/64/18/65/1010641865.db2.gz QWSHSUZUJOENSG-IFMALSPDSA-N 2 1 407.606 3.935 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCN1C(=O)c2ccccc2C1=O ZINC000548487506 1010643604 /nfs/dbraw/zinc/64/36/04/1010643604.db2.gz IAXXYSLDOSNDRJ-WMZHIEFXSA-N 2 1 405.542 3.563 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCN1C(=O)c2ccccc2C1=O ZINC000548487506 1010643610 /nfs/dbraw/zinc/64/36/10/1010643610.db2.gz IAXXYSLDOSNDRJ-WMZHIEFXSA-N 2 1 405.542 3.563 20 0 HHADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000548660831 1010702872 /nfs/dbraw/zinc/70/28/72/1010702872.db2.gz CVTQKZUNZNLXMY-ZJSXRUAMSA-N 2 1 409.578 3.674 20 0 HHADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000548660831 1010702878 /nfs/dbraw/zinc/70/28/78/1010702878.db2.gz CVTQKZUNZNLXMY-ZJSXRUAMSA-N 2 1 409.578 3.674 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000551704343 1010749408 /nfs/dbraw/zinc/74/94/08/1010749408.db2.gz RPVORUJNNUVVGV-SANMLTNESA-N 2 1 422.617 3.911 20 0 HHADMP COc1cccc([C@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000548936242 1010769356 /nfs/dbraw/zinc/76/93/56/1010769356.db2.gz OQKONIQLRZLXNR-RUZDIDTESA-N 2 1 421.585 3.921 20 0 HHADMP COc1cccc([C@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000548936242 1010769364 /nfs/dbraw/zinc/76/93/64/1010769364.db2.gz OQKONIQLRZLXNR-RUZDIDTESA-N 2 1 421.585 3.921 20 0 HHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000522079363 1010796664 /nfs/dbraw/zinc/79/66/64/1010796664.db2.gz YMHOGMMMLQYTTE-LJQANCHMSA-N 2 1 418.601 3.990 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)CC1 ZINC000522249174 1010888191 /nfs/dbraw/zinc/88/81/91/1010888191.db2.gz CEABOYXGJOIRDU-UHFFFAOYSA-N 2 1 423.904 3.926 20 0 HHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000522307785 1010920542 /nfs/dbraw/zinc/92/05/42/1010920542.db2.gz HDMHWRQFEAPHCX-UHFFFAOYSA-N 2 1 408.590 3.517 20 0 HHADMP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC000522444477 1011016042 /nfs/dbraw/zinc/01/60/42/1011016042.db2.gz UJLAYLCMBRRANQ-CTNGQTDRSA-N 2 1 407.002 3.678 20 0 HHADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC000522444477 1011016048 /nfs/dbraw/zinc/01/60/48/1011016048.db2.gz UJLAYLCMBRRANQ-CTNGQTDRSA-N 2 1 407.002 3.678 20 0 HHADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000522444477 1011016051 /nfs/dbraw/zinc/01/60/51/1011016051.db2.gz UJLAYLCMBRRANQ-CTNGQTDRSA-N 2 1 407.002 3.678 20 0 HHADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000522444477 1011016055 /nfs/dbraw/zinc/01/60/55/1011016055.db2.gz UJLAYLCMBRRANQ-CTNGQTDRSA-N 2 1 407.002 3.678 20 0 HHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000522596926 1011100485 /nfs/dbraw/zinc/10/04/85/1011100485.db2.gz OCCLRVSWOMYAHR-MHTWAQMVSA-N 2 1 400.611 3.878 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000522603828 1011106034 /nfs/dbraw/zinc/10/60/34/1011106034.db2.gz CTUJQLQVLOZTSY-YKSBVNFPSA-N 2 1 406.574 3.910 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000522603828 1011106036 /nfs/dbraw/zinc/10/60/36/1011106036.db2.gz CTUJQLQVLOZTSY-YKSBVNFPSA-N 2 1 406.574 3.910 20 0 HHADMP C[C@@H](c1ccc(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1)[NH+]1CCOCC1 ZINC000522786993 1011221253 /nfs/dbraw/zinc/22/12/53/1011221253.db2.gz ZOUZYFUCLJGLQK-SIKLNZKXSA-N 2 1 400.567 3.562 20 0 HHADMP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000522876193 1011318894 /nfs/dbraw/zinc/31/88/94/1011318894.db2.gz ZQXBTQOOYZCJOI-IBGZPJMESA-N 2 1 419.573 3.763 20 0 HHADMP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000522876193 1011318908 /nfs/dbraw/zinc/31/89/08/1011318908.db2.gz ZQXBTQOOYZCJOI-IBGZPJMESA-N 2 1 419.573 3.763 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540718618 1011370073 /nfs/dbraw/zinc/37/00/73/1011370073.db2.gz CXIUILYVHQDOMR-YSSFQJQWSA-N 2 1 408.949 3.539 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540718618 1011370077 /nfs/dbraw/zinc/37/00/77/1011370077.db2.gz CXIUILYVHQDOMR-YSSFQJQWSA-N 2 1 408.949 3.539 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540718618 1011370088 /nfs/dbraw/zinc/37/00/88/1011370088.db2.gz CXIUILYVHQDOMR-YSSFQJQWSA-N 2 1 408.949 3.539 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540718618 1011370089 /nfs/dbraw/zinc/37/00/89/1011370089.db2.gz CXIUILYVHQDOMR-YSSFQJQWSA-N 2 1 408.949 3.539 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000536229150 1011378568 /nfs/dbraw/zinc/37/85/68/1011378568.db2.gz ZSEMYSUJCHVDMC-JJEOQYAHSA-N 2 1 403.530 3.986 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000536229150 1011378579 /nfs/dbraw/zinc/37/85/79/1011378579.db2.gz ZSEMYSUJCHVDMC-JJEOQYAHSA-N 2 1 403.530 3.986 20 0 HHADMP CN(C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000536231959 1011380771 /nfs/dbraw/zinc/38/07/71/1011380771.db2.gz IWUBAAPWKCYTJR-DNQXCXABSA-N 2 1 406.574 3.738 20 0 HHADMP O=C(C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523008178 1011464612 /nfs/dbraw/zinc/46/46/12/1011464612.db2.gz KDJYZCVWHNKTLS-HSZRJFAPSA-N 2 1 409.549 3.602 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)CC[C@H]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540862271 1011531494 /nfs/dbraw/zinc/53/14/94/1011531494.db2.gz NQQSTEDPSBFISV-YSGRDPCXSA-N 2 1 410.965 3.739 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)CC[C@H]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540862271 1011531505 /nfs/dbraw/zinc/53/15/05/1011531505.db2.gz NQQSTEDPSBFISV-YSGRDPCXSA-N 2 1 410.965 3.739 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N2CC[N@H+](C)CC[C@H]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540862271 1011531517 /nfs/dbraw/zinc/53/15/17/1011531517.db2.gz NQQSTEDPSBFISV-YSGRDPCXSA-N 2 1 410.965 3.739 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N2CC[N@@H+](C)CC[C@H]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540862271 1011531528 /nfs/dbraw/zinc/53/15/28/1011531528.db2.gz NQQSTEDPSBFISV-YSGRDPCXSA-N 2 1 410.965 3.739 20 0 HHADMP C[C@H]1C[C@@H]([NH2+]CCCCN2C(=O)c3ccccc3C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000540983973 1011617306 /nfs/dbraw/zinc/61/73/06/1011617306.db2.gz NXRIOQSDZYRJKX-FPOVZHCZSA-N 2 1 405.542 3.706 20 0 HHADMP C[C@H]1C[C@@H]([NH2+]CCCCN2C(=O)c3ccccc3C2=O)CC[N@H+]1Cc1ccccc1 ZINC000540983973 1011617317 /nfs/dbraw/zinc/61/73/17/1011617317.db2.gz NXRIOQSDZYRJKX-FPOVZHCZSA-N 2 1 405.542 3.706 20 0 HHADMP CC(C)[N@H+](Cc1ccc(NC(=O)NC[C@H]2CCC[NH+](C)C2)cc1)C[C@H]1CCCCO1 ZINC000541033230 1011666864 /nfs/dbraw/zinc/66/68/64/1011666864.db2.gz VIIDVUCEDHDRDM-FYYLOGMGSA-N 2 1 416.610 3.929 20 0 HHADMP CC(C)[NH+](Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](C)C2)cc1)C[C@H]1CCCCO1 ZINC000541033230 1011666871 /nfs/dbraw/zinc/66/68/71/1011666871.db2.gz VIIDVUCEDHDRDM-FYYLOGMGSA-N 2 1 416.610 3.929 20 0 HHADMP CC(C)[NH+](Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1)C[C@H]1CCCCO1 ZINC000541033230 1011666879 /nfs/dbraw/zinc/66/68/79/1011666879.db2.gz VIIDVUCEDHDRDM-FYYLOGMGSA-N 2 1 416.610 3.929 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)NCCC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536460774 1011681131 /nfs/dbraw/zinc/68/11/31/1011681131.db2.gz YIOCYMZMINURDP-YLJYHZDGSA-N 2 1 410.965 3.503 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000523220153 1011708953 /nfs/dbraw/zinc/70/89/53/1011708953.db2.gz CKMKBWOSAQRJFH-HJNYFJLDSA-N 2 1 410.562 3.860 20 0 HHADMP C[C@@H](NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C(C)(C)C[NH+](C)C ZINC000536521435 1011713817 /nfs/dbraw/zinc/71/38/17/1011713817.db2.gz MWTFLOYWCUAFBO-HXUWFJFHSA-N 2 1 400.611 3.660 20 0 HHADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000536590477 1011752792 /nfs/dbraw/zinc/75/27/92/1011752792.db2.gz HAGKWATXKQMTKP-UHFFFAOYSA-N 2 1 415.626 3.984 20 0 HHADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000523340136 1011818138 /nfs/dbraw/zinc/81/81/38/1011818138.db2.gz HMQKRUOWPCXOSJ-DEOSSOPVSA-N 2 1 408.590 3.664 20 0 HHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(-c4ccc(Cl)cc4)o3)CC2)CC1 ZINC000536684711 1011849594 /nfs/dbraw/zinc/84/95/94/1011849594.db2.gz ZHZSVMWSISXXRC-UHFFFAOYSA-N 2 1 415.965 3.976 20 0 HHADMP COCCCOc1cccc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000536710902 1011883621 /nfs/dbraw/zinc/88/36/21/1011883621.db2.gz UMSKWCLHYHJLKY-OYRHEFFESA-N 2 1 404.595 3.813 20 0 HHADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000523438078 1011929621 /nfs/dbraw/zinc/92/96/21/1011929621.db2.gz KTQCTOWVCVJHFC-UHFFFAOYSA-N 2 1 416.541 3.541 20 0 HHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000536770385 1011973287 /nfs/dbraw/zinc/97/32/87/1011973287.db2.gz CZYIKMOBYJKCIO-UNMCSNQZSA-N 2 1 413.610 3.594 20 0 HHADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000536828898 1012058490 /nfs/dbraw/zinc/05/84/90/1012058490.db2.gz SOAZDKYLLOCDQP-ZJOUEHCJSA-N 2 1 415.603 3.546 20 0 HHADMP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000536830950 1012060681 /nfs/dbraw/zinc/06/06/81/1012060681.db2.gz FRPKHQBBBBNCLC-VQTJNVASSA-N 2 1 409.640 3.736 20 0 HHADMP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000552045265 1012063907 /nfs/dbraw/zinc/06/39/07/1012063907.db2.gz AZLQRFZRKLLQEB-URBBEOKESA-N 3 1 412.666 3.540 20 0 HHADMP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000552045264 1012064726 /nfs/dbraw/zinc/06/47/26/1012064726.db2.gz AZLQRFZRKLLQEB-HMNRDNJPSA-N 3 1 412.666 3.540 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000536835145 1012065454 /nfs/dbraw/zinc/06/54/54/1012065454.db2.gz VZPWTNMSGRUYRR-RTWAWAEBSA-N 2 1 421.651 3.880 20 0 HHADMP CS(=O)(=O)C1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000552062344 1012081065 /nfs/dbraw/zinc/08/10/65/1012081065.db2.gz VCXBAGKTBJZJEB-FQUXPLTJSA-N 2 1 404.620 3.623 20 0 HHADMP CS(=O)(=O)C1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000552062344 1012081083 /nfs/dbraw/zinc/08/10/83/1012081083.db2.gz VCXBAGKTBJZJEB-FQUXPLTJSA-N 2 1 404.620 3.623 20 0 HHADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000536862385 1012097078 /nfs/dbraw/zinc/09/70/78/1012097078.db2.gz GTSQMHADXIFMKL-LJQANCHMSA-N 2 1 422.013 3.702 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000536874033 1012115680 /nfs/dbraw/zinc/11/56/80/1012115680.db2.gz BQZNZRKZZWOVPY-KRWDZBQOSA-N 2 1 419.591 3.672 20 0 HHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)[C@@H]2CCC[C@H]21 ZINC000552255857 1012266427 /nfs/dbraw/zinc/26/64/27/1012266427.db2.gz XNJDYMKQOJNCCU-KMDXXIMOSA-N 2 1 423.580 3.510 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1nc2ccccc2n1C ZINC000537000509 1012301980 /nfs/dbraw/zinc/30/19/80/1012301980.db2.gz HXSLSLCFHXINLJ-LJQANCHMSA-N 2 1 422.573 3.914 20 0 HHADMP C[C@@H](CCNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)[NH+]1CCCCC1 ZINC000541522684 1012304655 /nfs/dbraw/zinc/30/46/55/1012304655.db2.gz XJXATAOCXPQTDA-DHLKQENFSA-N 2 1 412.622 3.949 20 0 HHADMP Cc1nn(-c2ccncc2)cc1C[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000541537636 1012321601 /nfs/dbraw/zinc/32/16/01/1012321601.db2.gz XRLMVQIWXOLPHP-UHFFFAOYSA-N 2 1 418.589 3.576 20 0 HHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3cc(-c4cccnc4)n[nH]3)cc2)C[C@H]1C ZINC000537021595 1012327978 /nfs/dbraw/zinc/32/79/78/1012327978.db2.gz DSOOVSJWRQZQDW-BGYRXZFFSA-N 2 1 419.573 3.771 20 0 HHADMP CC1(C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000541559198 1012346072 /nfs/dbraw/zinc/34/60/72/1012346072.db2.gz VNBYYKZOGMQGDZ-UHFFFAOYSA-N 2 1 405.586 3.676 20 0 HHADMP C[C@H]([NH2+]CC(=O)NCCc1cccc(Cl)c1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599851 1012393998 /nfs/dbraw/zinc/39/39/98/1012393998.db2.gz OADIQBFLHGYNIZ-DOTOQJQBSA-N 2 1 412.405 3.895 20 0 HHADMP C[C@H]([NH2+]CC(=O)NCCc1cccc(Cl)c1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599851 1012394017 /nfs/dbraw/zinc/39/40/17/1012394017.db2.gz OADIQBFLHGYNIZ-DOTOQJQBSA-N 2 1 412.405 3.895 20 0 HHADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)[C@H](C)C1 ZINC000523773259 1012413438 /nfs/dbraw/zinc/41/34/38/1012413438.db2.gz NPYGWZKCDMOPLP-YADHBBJMSA-N 2 1 422.658 3.611 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)CCC2(F)F)[C@@H]1c1ccccc1 ZINC000552403567 1012416160 /nfs/dbraw/zinc/41/61/60/1012416160.db2.gz JTYAVWIIIOIGLQ-FSSWDIPSSA-N 2 1 413.512 3.705 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)[C@@H]1c1ccccc1 ZINC000552403567 1012416171 /nfs/dbraw/zinc/41/61/71/1012416171.db2.gz JTYAVWIIIOIGLQ-FSSWDIPSSA-N 2 1 413.512 3.705 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)[C@@H]1c1ccccc1 ZINC000552403567 1012416181 /nfs/dbraw/zinc/41/61/81/1012416181.db2.gz JTYAVWIIIOIGLQ-FSSWDIPSSA-N 2 1 413.512 3.705 20 0 HHADMP c1nc([C@H]2CCCO2)sc1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000537225864 1012655030 /nfs/dbraw/zinc/65/50/30/1012655030.db2.gz SEKJVJUOWYDXDE-JOCHJYFZSA-N 2 1 414.619 3.682 20 0 HHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)CC2)cc1 ZINC000552685968 1012697701 /nfs/dbraw/zinc/69/77/01/1012697701.db2.gz SEEULAFEJZLCQO-QFIPXVFZSA-N 2 1 400.611 3.758 20 0 HHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCC[N@H+](C(C)C)C3)CC2)cc1 ZINC000552685968 1012697708 /nfs/dbraw/zinc/69/77/08/1012697708.db2.gz SEEULAFEJZLCQO-QFIPXVFZSA-N 2 1 400.611 3.758 20 0 HHADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](c2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000541904375 1012763903 /nfs/dbraw/zinc/76/39/03/1012763903.db2.gz NAURXRQNECYJEC-OAQYLSRUSA-N 2 1 423.454 3.688 20 0 HHADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000541915099 1012773267 /nfs/dbraw/zinc/77/32/67/1012773267.db2.gz XWFBRGLJNOWAJK-MBSDFSHPSA-N 2 1 410.562 3.634 20 0 HHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000541915589 1012773861 /nfs/dbraw/zinc/77/38/61/1012773861.db2.gz RTAIOKZIVIBDEI-YYGZZXRFSA-N 3 1 419.613 3.644 20 0 HHADMP O[C@@H]1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000541915589 1012773872 /nfs/dbraw/zinc/77/38/72/1012773872.db2.gz RTAIOKZIVIBDEI-YYGZZXRFSA-N 3 1 419.613 3.644 20 0 HHADMP O[C@@H]1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000541915589 1012773887 /nfs/dbraw/zinc/77/38/87/1012773887.db2.gz RTAIOKZIVIBDEI-YYGZZXRFSA-N 3 1 419.613 3.644 20 0 HHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)c2)cc1 ZINC000524067495 1012828669 /nfs/dbraw/zinc/82/86/69/1012828669.db2.gz VFEKXPZWQDCNQR-HXUWFJFHSA-N 2 1 423.557 3.538 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000524156081 1012946517 /nfs/dbraw/zinc/94/65/17/1012946517.db2.gz HSVDDMKWQTWTKZ-MRXNPFEDSA-N 2 1 410.400 3.679 20 0 HHADMP COc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000524155913 1012947158 /nfs/dbraw/zinc/94/71/58/1012947158.db2.gz QCAQRYRDTVRKKB-HXUWFJFHSA-N 2 1 409.574 3.544 20 0 HHADMP CC[N@H+](CCNC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)C(C)C ZINC000524210293 1013016132 /nfs/dbraw/zinc/01/61/32/1013016132.db2.gz UFJXKKZNSVYCPP-UHFFFAOYSA-N 2 1 414.516 3.699 20 0 HHADMP CC[N@@H+](CCNC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)C(C)C ZINC000524210293 1013016151 /nfs/dbraw/zinc/01/61/51/1013016151.db2.gz UFJXKKZNSVYCPP-UHFFFAOYSA-N 2 1 414.516 3.699 20 0 HHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+]([C@@H]1Cc3ccc(OC)cc3C1)CC2 ZINC001168266287 1071830631 /nfs/dbraw/zinc/83/06/31/1071830631.db2.gz DICARIGBNRFAEE-RPWUZVMVSA-N 2 1 421.585 3.561 20 0 HHADMP COc1ccc2c(c1)C[C@H]([NH+]1CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC1)C2 ZINC001168271720 1072043891 /nfs/dbraw/zinc/04/38/91/1072043891.db2.gz IFTJNDKNSWIXAP-NHCUHLMSSA-N 2 1 412.599 3.979 20 0 HHADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C[C@@H](C)C1 ZINC000487816609 1072063669 /nfs/dbraw/zinc/06/36/69/1072063669.db2.gz DMKXIGPEUFYZCC-SVMVAKDDSA-N 2 1 419.013 3.676 20 0 HHADMP CC(C)[N@@H+](CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)C1CC1 ZINC000913207653 1072348408 /nfs/dbraw/zinc/34/84/08/1072348408.db2.gz JHWFNKKKFNAGOR-UHFFFAOYSA-N 2 1 406.574 3.820 20 0 HHADMP C[NH+]1CCC(CNC(=S)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1 ZINC000760488038 1072388946 /nfs/dbraw/zinc/38/89/46/1072388946.db2.gz WHFBUOPAZWCFPS-FQEVSTJZSA-N 2 1 409.043 3.500 20 0 HHADMP C[N@@H+](CCN(Cc1ccccc1)C(=S)NCC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000760493145 1072398753 /nfs/dbraw/zinc/39/87/53/1072398753.db2.gz YQJPLRFVMOBQOA-UHFFFAOYSA-N 2 1 424.658 3.837 20 0 HHADMP Cc1cccc(COC[C@]23CCCO[C@H]2CC[N@H+](C2CCC([NH+](C)C)CC2)C3)n1 ZINC001168323446 1072504780 /nfs/dbraw/zinc/50/47/80/1072504780.db2.gz ZMZZMGOOKIZCNK-STTLMXHVSA-N 2 1 401.595 3.651 20 0 HHADMP CSC1(C[NH2+]Cc2csc(N(C(C)=O)c3ccc(F)cc3)n2)CC[NH+](C)CC1 ZINC000571092705 1072558772 /nfs/dbraw/zinc/55/87/72/1072558772.db2.gz SRYMDLLRCGVXJA-UHFFFAOYSA-N 2 1 422.595 3.884 20 0 HHADMP Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168378753 1072646949 /nfs/dbraw/zinc/64/69/49/1072646949.db2.gz STTVNJJRQPPFNP-SANMLTNESA-N 2 1 418.585 3.800 20 0 HHADMP Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168378753 1072646950 /nfs/dbraw/zinc/64/69/50/1072646950.db2.gz STTVNJJRQPPFNP-SANMLTNESA-N 2 1 418.585 3.800 20 0 HHADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000588711295 1073156626 /nfs/dbraw/zinc/15/66/26/1073156626.db2.gz NMAFMOFRLFDURS-UFYCRDLUSA-N 2 1 415.622 3.960 20 0 HHADMP O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000555107078 1073159955 /nfs/dbraw/zinc/15/99/55/1073159955.db2.gz CPCSLVNSONTJDJ-HSZRJFAPSA-N 2 1 409.599 3.630 20 0 HHADMP O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000555107078 1073159957 /nfs/dbraw/zinc/15/99/57/1073159957.db2.gz CPCSLVNSONTJDJ-HSZRJFAPSA-N 2 1 409.599 3.630 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC000555153014 1073205794 /nfs/dbraw/zinc/20/57/94/1073205794.db2.gz JKYHEAVWNWBJQZ-XZOQPEGZSA-N 2 1 400.611 3.566 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000555153014 1073205799 /nfs/dbraw/zinc/20/57/99/1073205799.db2.gz JKYHEAVWNWBJQZ-XZOQPEGZSA-N 2 1 400.611 3.566 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000555153014 1073205803 /nfs/dbraw/zinc/20/58/03/1073205803.db2.gz JKYHEAVWNWBJQZ-XZOQPEGZSA-N 2 1 400.611 3.566 20 0 HHADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000572286423 1073248381 /nfs/dbraw/zinc/24/83/81/1073248381.db2.gz JAQDJUCUSFBTGV-UHFFFAOYSA-N 2 1 405.530 3.827 20 0 HHADMP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000555209720 1073250226 /nfs/dbraw/zinc/25/02/26/1073250226.db2.gz GNRBJVCUORYHLC-OAHLLOKOSA-N 2 1 414.377 3.755 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(OCc4cccnc4)cc3)CC2)C[C@H](C)O1 ZINC000590060531 1073535572 /nfs/dbraw/zinc/53/55/72/1073535572.db2.gz IXCFDMNOYMJCJV-OYRHEFFESA-N 2 1 409.574 3.982 20 0 HHADMP CC(C)N(C)c1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cn1 ZINC000555614881 1073667718 /nfs/dbraw/zinc/66/77/18/1073667718.db2.gz UNTBPTKHKVLGSL-DEOSSOPVSA-N 2 1 422.617 3.945 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000591076402 1074099215 /nfs/dbraw/zinc/09/92/15/1074099215.db2.gz YFVJDNYTDPBTOK-NRFANRHFSA-N 2 1 409.574 3.802 20 0 HHADMP C[C@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000591076402 1074099221 /nfs/dbraw/zinc/09/92/21/1074099221.db2.gz YFVJDNYTDPBTOK-NRFANRHFSA-N 2 1 409.574 3.802 20 0 HHADMP C[C@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000591076402 1074099228 /nfs/dbraw/zinc/09/92/28/1074099228.db2.gz YFVJDNYTDPBTOK-NRFANRHFSA-N 2 1 409.574 3.802 20 0 HHADMP C[C@H]1C[NH+](Cc2ccc(C(=O)N(CC[NH+](C)C)CC3CCCCC3)cc2)C[C@H](C)O1 ZINC000591153635 1074153832 /nfs/dbraw/zinc/15/38/32/1074153832.db2.gz PPONOXGROAWNHR-SFTDATJTSA-N 2 1 415.622 3.880 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000591419207 1074283498 /nfs/dbraw/zinc/28/34/98/1074283498.db2.gz GGLBYSMPKYLKAS-GMAHTHKFSA-N 2 1 421.585 3.944 20 0 HHADMP C[C@H]1CCCC[NH+]1CCOc1ccccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000591419207 1074283503 /nfs/dbraw/zinc/28/35/03/1074283503.db2.gz GGLBYSMPKYLKAS-GMAHTHKFSA-N 2 1 421.585 3.944 20 0 HHADMP C[C@H]1CCCC[NH+]1CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000591419207 1074283514 /nfs/dbraw/zinc/28/35/14/1074283514.db2.gz GGLBYSMPKYLKAS-GMAHTHKFSA-N 2 1 421.585 3.944 20 0 HHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000573248579 1074323530 /nfs/dbraw/zinc/32/35/30/1074323530.db2.gz YUNLGCABAKJMAU-HNNXBMFYSA-N 2 1 404.440 3.708 20 0 HHADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000760834218 1074326089 /nfs/dbraw/zinc/32/60/89/1074326089.db2.gz NTQRVOMBAGPMRG-OAQYLSRUSA-N 2 1 402.583 3.636 20 0 HHADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000760834218 1074326092 /nfs/dbraw/zinc/32/60/92/1074326092.db2.gz NTQRVOMBAGPMRG-OAQYLSRUSA-N 2 1 402.583 3.636 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000591558132 1074406428 /nfs/dbraw/zinc/40/64/28/1074406428.db2.gz FCSPTOFWGOBEAF-IMSXRSKXSA-N 2 1 412.622 3.934 20 0 HHADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1CCCCC1 ZINC000591656076 1074456148 /nfs/dbraw/zinc/45/61/48/1074456148.db2.gz HSQFEEWIFMHETD-PKTZIBPZSA-N 2 1 414.594 3.514 20 0 HHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000592515366 1074778443 /nfs/dbraw/zinc/77/84/43/1074778443.db2.gz IGCLCLMAQQIVCE-KRWDZBQOSA-N 2 1 417.985 3.692 20 0 HHADMP C[C@@H](CNC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[N@@H+]1CCc2sccc2C1 ZINC000593499407 1075204458 /nfs/dbraw/zinc/20/44/58/1075204458.db2.gz WRTGGUZSXMZEIA-KRWDZBQOSA-N 2 1 416.591 3.647 20 0 HHADMP C[C@@H](CNC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[N@H+]1CCc2sccc2C1 ZINC000593499407 1075204464 /nfs/dbraw/zinc/20/44/64/1075204464.db2.gz WRTGGUZSXMZEIA-KRWDZBQOSA-N 2 1 416.591 3.647 20 0 HHADMP C[N@H+]1CCN(CCC[NH2+]CCC(=O)Nc2cccc(Cl)c2)[C@@H](c2ccccc2)C1 ZINC000575085532 1075472940 /nfs/dbraw/zinc/47/29/40/1075472940.db2.gz PROQYXZLQQGDOT-JOCHJYFZSA-N 2 1 414.981 3.637 20 0 HHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CC[C@@H]5[NH2+]CC[C@H]54)c23)C1 ZINC001164411112 718876231 /nfs/dbraw/zinc/87/62/31/718876231.db2.gz MRXXXDLIHDWFHT-BPQIPLTHSA-N 2 1 411.619 3.743 20 0 HHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CC[C@H]5[NH2+]CC[C@@H]54)c23)C1 ZINC001164411115 718876253 /nfs/dbraw/zinc/87/62/53/718876253.db2.gz MRXXXDLIHDWFHT-NXHRZFHOSA-N 2 1 411.619 3.743 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cc(Cl)cnc2Cl)c2c1CC[NH2+]C2 ZINC001164685767 719604594 /nfs/dbraw/zinc/60/45/94/719604594.db2.gz VXABEJAUFIVFOE-UHFFFAOYSA-N 2 1 404.292 3.668 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cc(Cl)cnc2Cl)c2c1CC[NH2+]C2 ZINC001164685767 719604599 /nfs/dbraw/zinc/60/45/99/719604599.db2.gz VXABEJAUFIVFOE-UHFFFAOYSA-N 2 1 404.292 3.668 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2ccc3ncc(Cl)nc3c2)c2c1CC[NH2+]C2 ZINC001164685092 719609387 /nfs/dbraw/zinc/60/93/87/719609387.db2.gz QVCIIZPKWJPCHK-UHFFFAOYSA-N 2 1 420.895 3.563 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2ccc3ncc(Cl)nc3c2)c2c1CC[NH2+]C2 ZINC001164685092 719609394 /nfs/dbraw/zinc/60/93/94/719609394.db2.gz QVCIIZPKWJPCHK-UHFFFAOYSA-N 2 1 420.895 3.563 20 0 HHADMP CCN(C)c1cc(C)[nH+]c(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164691064 719802779 /nfs/dbraw/zinc/80/27/79/719802779.db2.gz DPEHOHCLQPOKSA-UHFFFAOYSA-N 2 1 400.596 3.641 20 0 HHADMP Cc1nc(C[N@H+]2CCCC23CCN(c2nc(N4CCCC4)cc(C)[nH+]2)CC3)cs1 ZINC001164692863 719802936 /nfs/dbraw/zinc/80/29/36/719802936.db2.gz QESLZZUCTADCAV-UHFFFAOYSA-N 2 1 412.607 3.785 20 0 HHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164815522 720128488 /nfs/dbraw/zinc/12/84/88/720128488.db2.gz WGJNKQJMLWIAKY-NZQKXSOJSA-N 2 1 419.013 3.516 20 0 HHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164815522 720128499 /nfs/dbraw/zinc/12/84/99/720128499.db2.gz WGJNKQJMLWIAKY-NZQKXSOJSA-N 2 1 419.013 3.516 20 0 HHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[NH+](CC2CC2)C[C@@H]3COC)nc1 ZINC001164819027 720195517 /nfs/dbraw/zinc/19/55/17/720195517.db2.gz VNHXYIDAFZOGEQ-OYRHQHFDSA-N 2 1 412.622 3.813 20 0 HHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)nc1 ZINC001164819027 720195521 /nfs/dbraw/zinc/19/55/21/720195521.db2.gz VNHXYIDAFZOGEQ-OYRHQHFDSA-N 2 1 412.622 3.813 20 0 HHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)nc1 ZINC001164819027 720195526 /nfs/dbraw/zinc/19/55/26/720195526.db2.gz VNHXYIDAFZOGEQ-OYRHQHFDSA-N 2 1 412.622 3.813 20 0 HHADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164842819 720588969 /nfs/dbraw/zinc/58/89/69/720588969.db2.gz VRFLDYGYDNUIGW-DYXWJJEUSA-N 2 1 407.566 3.587 20 0 HHADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164842819 720588987 /nfs/dbraw/zinc/58/89/87/720588987.db2.gz VRFLDYGYDNUIGW-DYXWJJEUSA-N 2 1 407.566 3.587 20 0 HHADMP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3[nH+]cc(Cn4cccn4)n3CC2)nc1 ZINC001164862742 721033064 /nfs/dbraw/zinc/03/30/64/721033064.db2.gz PLZQKTKZDUWXEJ-QFIPXVFZSA-N 2 1 419.577 3.523 20 0 HHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3[nH+]cc(Cn4cccn4)n3CC2)nc1 ZINC001164862742 721033069 /nfs/dbraw/zinc/03/30/69/721033069.db2.gz PLZQKTKZDUWXEJ-QFIPXVFZSA-N 2 1 419.577 3.523 20 0 HHADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc4[nH]ccc4c(C)[nH+]3)C2)C1 ZINC001164780781 721362877 /nfs/dbraw/zinc/36/28/77/721362877.db2.gz HIPXLEGWNYAEBJ-QHCPKHFHSA-N 2 1 409.534 3.595 20 0 HHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(OC(C)C)cc[nH+]1)CC2 ZINC001164784933 721461465 /nfs/dbraw/zinc/46/14/65/721461465.db2.gz KVBICUUDTRLLMS-OAQYLSRUSA-N 2 1 417.594 3.603 20 0 HHADMP Cc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1NCC1CC1 ZINC001165026885 721797733 /nfs/dbraw/zinc/79/77/33/721797733.db2.gz RZHCKALWZLVDJC-ILWGZMRPSA-N 2 1 406.578 3.739 20 0 HHADMP Cc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1NCC1CC1 ZINC001165026885 721797737 /nfs/dbraw/zinc/79/77/37/721797737.db2.gz RZHCKALWZLVDJC-ILWGZMRPSA-N 2 1 406.578 3.739 20 0 HHADMP Cc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001165019580 721802299 /nfs/dbraw/zinc/80/22/99/721802299.db2.gz DCZLQIYYLYKKQC-KSEOMHKRSA-N 2 1 406.578 3.517 20 0 HHADMP Cc1nc(N2CCCC2)cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]1 ZINC001165019580 721802300 /nfs/dbraw/zinc/80/23/00/721802300.db2.gz DCZLQIYYLYKKQC-KSEOMHKRSA-N 2 1 406.578 3.517 20 0 HHADMP Cc1nc(N2CCCC2)cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]1 ZINC001165019580 721802301 /nfs/dbraw/zinc/80/23/01/721802301.db2.gz DCZLQIYYLYKKQC-KSEOMHKRSA-N 2 1 406.578 3.517 20 0 HHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C[N@H+](C)C4CC4)cn3)C[C@H]21 ZINC001165020640 721826231 /nfs/dbraw/zinc/82/62/31/721826231.db2.gz CYHRQCLVFOMJBA-TUACAJSNSA-N 2 1 405.590 3.808 20 0 HHADMP C[NH+](Cc1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1)C1CC1 ZINC001165020640 721826232 /nfs/dbraw/zinc/82/62/32/721826232.db2.gz CYHRQCLVFOMJBA-TUACAJSNSA-N 2 1 405.590 3.808 20 0 HHADMP C[NH+](Cc1ccc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1)C1CC1 ZINC001165020640 721826233 /nfs/dbraw/zinc/82/62/33/721826233.db2.gz CYHRQCLVFOMJBA-TUACAJSNSA-N 2 1 405.590 3.808 20 0 HHADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC[C@H]([NH+](C)C)C4)c23)C1 ZINC001165035217 721896074 /nfs/dbraw/zinc/89/60/74/721896074.db2.gz LPRQEVOMESVYJY-IRXDYDNUSA-N 2 1 413.635 3.942 20 0 HHADMP c1ccc(C[N@H+]2CCc3c(ncnc3N3CCCC[C@H]3CC[NH+]3CCCC3)C2)cc1 ZINC001165046265 721969085 /nfs/dbraw/zinc/96/90/85/721969085.db2.gz CFPYJCWMSVFVOO-QFIPXVFZSA-N 2 1 405.590 3.880 20 0 HHADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCCC[C@H]3CC[NH+]3CCCC3)C2)cc1 ZINC001165046265 721969088 /nfs/dbraw/zinc/96/90/88/721969088.db2.gz CFPYJCWMSVFVOO-QFIPXVFZSA-N 2 1 405.590 3.880 20 0 HHADMP COc1cc2[nH+]c(NC[C@@H]3CCC[N@H+](C)[C@@H]3c3cccs3)nc(N)c2cc1OC ZINC000301427510 970922484 /nfs/dbraw/zinc/92/24/84/970922484.db2.gz PKGSEYIAMXYORZ-DJJJIMSYSA-N 2 1 413.547 3.786 20 0 HHADMP COc1cc2[nH+]c(NC[C@@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)nc(N)c2cc1OC ZINC000301427510 970922498 /nfs/dbraw/zinc/92/24/98/970922498.db2.gz PKGSEYIAMXYORZ-DJJJIMSYSA-N 2 1 413.547 3.786 20 0 HHADMP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000301641877 971012213 /nfs/dbraw/zinc/01/22/13/971012213.db2.gz BONXCHFBMRUZKH-GOSISDBHSA-N 2 1 411.546 3.941 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCCOc3cccc4ccccc43)CC2)CC1 ZINC000303349831 971649175 /nfs/dbraw/zinc/64/91/75/971649175.db2.gz NJQCCWGGZNREAC-UHFFFAOYSA-N 2 1 423.601 3.875 20 0 HHADMP C[C@H](CNC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[NH+](C)Cc1ccccc1 ZINC000303509808 971809262 /nfs/dbraw/zinc/80/92/62/971809262.db2.gz SRBJHCUABIYSFA-NJYVYQBISA-N 2 1 409.574 3.546 20 0 HHADMP C[C@H](CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[NH+](C)Cc1ccccc1 ZINC000303509808 971809267 /nfs/dbraw/zinc/80/92/67/971809267.db2.gz SRBJHCUABIYSFA-NJYVYQBISA-N 2 1 409.574 3.546 20 0 HHADMP C[C@H](CNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1)[N@H+](C)Cc1ccccc1 ZINC000303509808 971809271 /nfs/dbraw/zinc/80/92/71/971809271.db2.gz SRBJHCUABIYSFA-NJYVYQBISA-N 2 1 409.574 3.546 20 0 HHADMP C[C@H](CNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000303509808 971809276 /nfs/dbraw/zinc/80/92/76/971809276.db2.gz SRBJHCUABIYSFA-NJYVYQBISA-N 2 1 409.574 3.546 20 0 HHADMP CC(=O)N1CC[NH+](CCOc2ccc(CC[NH2+][C@H](C)[C@@H](C)c3ccccc3)cc2)CC1 ZINC000542176406 1013114240 /nfs/dbraw/zinc/11/42/40/1013114240.db2.gz BBNARXSXWFZYHO-FGZHOGPDSA-N 2 1 423.601 3.554 20 0 HHADMP COc1ccc(NC(=O)[C@@H](C)Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)cc1 ZINC000303795630 972032897 /nfs/dbraw/zinc/03/28/97/972032897.db2.gz KQIZUGLUBCXSJD-GOSISDBHSA-N 2 1 410.562 3.912 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCc3nc(-c4ccc(Cl)cc4)no3)CC2)C[C@H](C)O1 ZINC000303820070 972051871 /nfs/dbraw/zinc/05/18/71/972051871.db2.gz JVZLYCKTTIWNMH-CALCHBBNSA-N 2 1 418.969 3.754 20 0 HHADMP CCCCOc1cc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)ccc1OC ZINC000537659454 1013220600 /nfs/dbraw/zinc/22/06/00/1013220600.db2.gz UPZPODTXMIGRIW-UHFFFAOYSA-N 2 1 403.611 3.865 20 0 HHADMP CC(C)[NH+]1CCC(N2CCN(CC(C)(C)C[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000537662021 1013223303 /nfs/dbraw/zinc/22/33/03/1013223303.db2.gz ZVWSPYARLPJGQQ-UHFFFAOYSA-N 2 1 400.655 3.635 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](Cc3ccc(F)cc3)C3CC3)cc2)CC1 ZINC000007247384 961089352 /nfs/dbraw/zinc/08/93/52/961089352.db2.gz QRNWBDSBSVCMOE-UHFFFAOYSA-N 2 1 410.537 3.571 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](Cc3ccc(F)cc3)C3CC3)cc2)CC1 ZINC000007247384 961089375 /nfs/dbraw/zinc/08/93/75/961089375.db2.gz QRNWBDSBSVCMOE-UHFFFAOYSA-N 2 1 410.537 3.571 20 0 HHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(C[NH+]4CCCCC4)c3)CC2)CC1 ZINC000553308097 1013262217 /nfs/dbraw/zinc/26/22/17/1013262217.db2.gz FIKRZUQCQRBQTE-UHFFFAOYSA-N 3 1 412.622 3.807 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000015404493 962749016 /nfs/dbraw/zinc/74/90/16/962749016.db2.gz BGOKDGHCTQHKDC-OAQYLSRUSA-N 2 1 406.574 3.822 20 0 HHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(-c4ccccc4C)nn3C)CC2)CC1 ZINC000553499027 1013399634 /nfs/dbraw/zinc/39/96/34/1013399634.db2.gz XLZVAYOQSRBSBR-UHFFFAOYSA-N 2 1 409.578 3.530 20 0 HHADMP C[C@@H](CNC(=O)[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000537845748 1013409528 /nfs/dbraw/zinc/40/95/28/1013409528.db2.gz MQNXDKRPRHHRCB-LEWJYISDSA-N 2 1 408.590 3.928 20 0 HHADMP Cc1nn(-c2ccncc2)cc1CN1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000542465710 1013413430 /nfs/dbraw/zinc/41/34/30/1013413430.db2.gz KEELVYQGNVIRQA-HXUWFJFHSA-N 2 1 415.497 3.716 20 0 HHADMP Cc1cc([C@@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)c2cccnc2)ccc1F ZINC000542472726 1013420030 /nfs/dbraw/zinc/42/00/30/1013420030.db2.gz PCNLTSNDCDYHIO-XMMPIXPASA-N 2 1 420.532 3.700 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Cl ZINC000537858797 1013429135 /nfs/dbraw/zinc/42/91/35/1013429135.db2.gz SSGSWLCZCNLSNF-OAQYLSRUSA-N 2 1 415.969 3.554 20 0 HHADMP CCC[C@@H]1CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000553555723 1013453005 /nfs/dbraw/zinc/45/30/05/1013453005.db2.gz AVTWULYFWLKBQE-DHIUTWEWSA-N 2 1 415.647 3.717 20 0 HHADMP COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000542529830 1013471535 /nfs/dbraw/zinc/47/15/35/1013471535.db2.gz UPKLXHYEYHWENN-XWSJACJDSA-N 2 1 417.594 3.512 20 0 HHADMP COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000542529830 1013471545 /nfs/dbraw/zinc/47/15/45/1013471545.db2.gz UPKLXHYEYHWENN-XWSJACJDSA-N 2 1 417.594 3.512 20 0 HHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@H](COC)c3ccc(Cl)cc3)CC2)CC1 ZINC000553575821 1013472649 /nfs/dbraw/zinc/47/26/49/1013472649.db2.gz PKYRGDFLHWSYEQ-JOCHJYFZSA-N 2 1 422.013 3.682 20 0 HHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000537959787 1013539501 /nfs/dbraw/zinc/53/95/01/1013539501.db2.gz UBYNZCKXCLCAAW-UHFFFAOYSA-N 2 1 410.400 3.638 20 0 HHADMP C[C@@H](NC(=O)N(C)CCC[N@@H+](C)Cc1ccco1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000553681501 1013542730 /nfs/dbraw/zinc/54/27/30/1013542730.db2.gz PAOLFIPELXHLLD-IFMALSPDSA-N 2 1 412.578 3.654 20 0 HHADMP C[C@@H](NC(=O)N(C)CCC[NH+](C)Cc1ccco1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553681501 1013542738 /nfs/dbraw/zinc/54/27/38/1013542738.db2.gz PAOLFIPELXHLLD-IFMALSPDSA-N 2 1 412.578 3.654 20 0 HHADMP C[C@@H](NC(=O)N(C)CCC[NH+](C)Cc1ccco1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553681501 1013542747 /nfs/dbraw/zinc/54/27/47/1013542747.db2.gz PAOLFIPELXHLLD-IFMALSPDSA-N 2 1 412.578 3.654 20 0 HHADMP C[N@@H+](CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)C1CCCC1 ZINC000053436043 965170474 /nfs/dbraw/zinc/17/04/74/965170474.db2.gz IQSJQXBZMFBLKE-UHFFFAOYSA-N 2 1 406.574 3.822 20 0 HHADMP CN(CCC[N@H+](C)Cc1ccco1)C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000553703134 1013558477 /nfs/dbraw/zinc/55/84/77/1013558477.db2.gz YVMUMVACJWONRO-RTWAWAEBSA-N 2 1 418.969 3.842 20 0 HHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000553703134 1013558483 /nfs/dbraw/zinc/55/84/83/1013558483.db2.gz YVMUMVACJWONRO-RTWAWAEBSA-N 2 1 418.969 3.842 20 0 HHADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000553703134 1013558492 /nfs/dbraw/zinc/55/84/92/1013558492.db2.gz YVMUMVACJWONRO-RTWAWAEBSA-N 2 1 418.969 3.842 20 0 HHADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000553703134 1013558495 /nfs/dbraw/zinc/55/84/95/1013558495.db2.gz YVMUMVACJWONRO-RTWAWAEBSA-N 2 1 418.969 3.842 20 0 HHADMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2cc(C)nn2C(C)(C)C)CC1)CC(C)C ZINC000537998821 1013573802 /nfs/dbraw/zinc/57/38/02/1013573802.db2.gz UDXGBJNVEJUSGE-UHFFFAOYSA-N 2 1 405.631 3.965 20 0 HHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2cc(C)nn2C(C)(C)C)CC1)CC(C)C ZINC000537998821 1013573805 /nfs/dbraw/zinc/57/38/05/1013573805.db2.gz UDXGBJNVEJUSGE-UHFFFAOYSA-N 2 1 405.631 3.965 20 0 HHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000553743454 1013583720 /nfs/dbraw/zinc/58/37/20/1013583720.db2.gz IZNXLABJYBHSAC-HXUWFJFHSA-N 2 1 401.526 3.611 20 0 HHADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000553743454 1013583738 /nfs/dbraw/zinc/58/37/38/1013583738.db2.gz IZNXLABJYBHSAC-HXUWFJFHSA-N 2 1 401.526 3.611 20 0 HHADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000553743454 1013583748 /nfs/dbraw/zinc/58/37/48/1013583748.db2.gz IZNXLABJYBHSAC-HXUWFJFHSA-N 2 1 401.526 3.611 20 0 HHADMP CCC[N@H+]1CC[C@H](CNC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1 ZINC000054509608 965548999 /nfs/dbraw/zinc/54/89/99/965548999.db2.gz YULHDHHDGUWEPY-OAQYLSRUSA-N 2 1 408.590 3.946 20 0 HHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccccc2OCc2cccnc2)c2cccs2)CC1 ZINC000030543824 965724021 /nfs/dbraw/zinc/72/40/21/965724021.db2.gz VFFHSKUYMDLQQA-JOCHJYFZSA-N 2 1 422.598 3.800 20 0 HHADMP Cc1cccc(C)c1OCCC[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000538044891 1013617979 /nfs/dbraw/zinc/61/79/79/1013617979.db2.gz IVXGHEJNDFLPJV-VXKWHMMOSA-N 2 1 404.595 3.663 20 0 HHADMP COc1cccc(CNC(=O)[C@@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000060381456 966123341 /nfs/dbraw/zinc/12/33/41/966123341.db2.gz KQFNKXDLNOQYEO-HXUWFJFHSA-N 2 1 409.574 3.544 20 0 HHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCc4c3cccc4Br)cc2)CC1 ZINC000538062693 1013639112 /nfs/dbraw/zinc/63/91/12/1013639112.db2.gz UPVOIIYUJYXHGM-JOCHJYFZSA-N 2 1 414.391 3.974 20 0 HHADMP C[N@@H+](CCCNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)Cc1ccccc1 ZINC000061022460 966353266 /nfs/dbraw/zinc/35/32/66/966353266.db2.gz RTHVRYGLMMJNRC-UHFFFAOYSA-N 2 1 414.619 3.781 20 0 HHADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000061521683 966487878 /nfs/dbraw/zinc/48/78/78/966487878.db2.gz HHAQSUGPQYOTJF-DEOSSOPVSA-N 2 1 406.574 3.746 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000056846251 966490778 /nfs/dbraw/zinc/49/07/78/966490778.db2.gz ZITIENQTILXLOC-HXUWFJFHSA-N 2 1 400.611 3.792 20 0 HHADMP O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000061553325 966499336 /nfs/dbraw/zinc/49/93/36/966499336.db2.gz AZNNSHLZDVODQH-DEOSSOPVSA-N 2 1 406.574 3.746 20 0 HHADMP CN(CCC[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000542754939 1013662078 /nfs/dbraw/zinc/66/20/78/1013662078.db2.gz IXIYLYACTNMSOA-IEBWSBKVSA-N 2 1 414.516 3.681 20 0 HHADMP CC(C)(C)CC[NH+]1CCN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000061788451 966553048 /nfs/dbraw/zinc/55/30/48/966553048.db2.gz JNHMQBUXKGPKGM-UHFFFAOYSA-N 2 1 404.624 3.821 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000061789225 966553300 /nfs/dbraw/zinc/55/33/00/966553300.db2.gz XHGVUCTZJHINPZ-UHFFFAOYSA-N 2 1 404.624 3.869 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000061869002 966568689 /nfs/dbraw/zinc/56/86/89/966568689.db2.gz HLNRTWZFDPZHGT-UHFFFAOYSA-N 2 1 408.590 3.774 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000061869002 966568693 /nfs/dbraw/zinc/56/86/93/966568693.db2.gz HLNRTWZFDPZHGT-UHFFFAOYSA-N 2 1 408.590 3.774 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000061869002 966568696 /nfs/dbraw/zinc/56/86/96/966568696.db2.gz HLNRTWZFDPZHGT-UHFFFAOYSA-N 2 1 408.590 3.774 20 0 HHADMP C[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@H+]1CCc2ccccc2C1 ZINC000061902460 966578206 /nfs/dbraw/zinc/57/82/06/966578206.db2.gz OIRJHDJEACKCMO-FQEVSTJZSA-N 2 1 406.574 3.528 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cc1F ZINC000062657035 966721661 /nfs/dbraw/zinc/72/16/61/966721661.db2.gz MVHBUGONCIQBQS-QFIPXVFZSA-N 2 1 409.509 3.730 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000063109523 966755013 /nfs/dbraw/zinc/75/50/13/966755013.db2.gz BQHXQLBUTREEIE-UHFFFAOYSA-N 2 1 406.505 3.848 20 0 HHADMP S=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000063149135 966762119 /nfs/dbraw/zinc/76/21/19/966762119.db2.gz XXMMYTNRWFFWDO-XMMPIXPASA-N 2 1 422.642 3.780 20 0 HHADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000043137167 966913925 /nfs/dbraw/zinc/91/39/25/966913925.db2.gz UPFPKDPKHXCSFI-QFIPXVFZSA-N 2 1 410.562 3.724 20 0 HHADMP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000043231717 966933410 /nfs/dbraw/zinc/93/34/10/966933410.db2.gz NSXOATKVDRCFLA-NRFANRHFSA-N 2 1 412.603 3.803 20 0 HHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000542840827 1013702007 /nfs/dbraw/zinc/70/20/07/1013702007.db2.gz YECKZXQWQUCFDR-ZARRYTOOSA-N 2 1 405.533 3.869 20 0 HHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000542840824 1013702125 /nfs/dbraw/zinc/70/21/25/1013702125.db2.gz YECKZXQWQUCFDR-CTEUCUGASA-N 2 1 405.533 3.869 20 0 HHADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000542845521 1013704806 /nfs/dbraw/zinc/70/48/06/1013704806.db2.gz AZDGBEVDUDQUDO-IERDGZPVSA-N 2 1 408.571 3.931 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438979 967215552 /nfs/dbraw/zinc/21/55/52/967215552.db2.gz LLFJLEITDBFPRX-KRWDZBQOSA-N 2 1 401.501 3.566 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438979 967215563 /nfs/dbraw/zinc/21/55/63/967215563.db2.gz LLFJLEITDBFPRX-KRWDZBQOSA-N 2 1 401.501 3.566 20 0 HHADMP CCc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000065274811 967423379 /nfs/dbraw/zinc/42/33/79/967423379.db2.gz GGHLDUPYAPVNMW-VWLOTQADSA-N 2 1 418.585 3.707 20 0 HHADMP CC[NH+]1CCN(c2ccccc2NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000065438945 967466730 /nfs/dbraw/zinc/46/67/30/967466730.db2.gz FMAYHGVYYWDMTD-BGYRXZFFSA-N 2 1 415.626 3.707 20 0 HHADMP C[N@@H+]1CCN(C(=O)NC[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC000065518498 967503401 /nfs/dbraw/zinc/50/34/01/967503401.db2.gz BGXWDBFEJRHWFG-ISKFKSNPSA-N 2 1 406.574 3.597 20 0 HHADMP C[N@H+]1CCN(C(=O)NC[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC000065518498 967503411 /nfs/dbraw/zinc/50/34/11/967503411.db2.gz BGXWDBFEJRHWFG-ISKFKSNPSA-N 2 1 406.574 3.597 20 0 HHADMP C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC000065518498 967503413 /nfs/dbraw/zinc/50/34/13/967503413.db2.gz BGXWDBFEJRHWFG-ISKFKSNPSA-N 2 1 406.574 3.597 20 0 HHADMP C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC000065518498 967503415 /nfs/dbraw/zinc/50/34/15/967503415.db2.gz BGXWDBFEJRHWFG-ISKFKSNPSA-N 2 1 406.574 3.597 20 0 HHADMP CC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC1 ZINC000047979703 968381771 /nfs/dbraw/zinc/38/17/71/968381771.db2.gz MRRLXMRSBUFYSL-OAQYLSRUSA-N 2 1 412.603 3.631 20 0 HHADMP CC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CC1 ZINC000047979703 968381777 /nfs/dbraw/zinc/38/17/77/968381777.db2.gz MRRLXMRSBUFYSL-OAQYLSRUSA-N 2 1 412.603 3.631 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000065750157 968624139 /nfs/dbraw/zinc/62/41/39/968624139.db2.gz ZVUDNCWKQBXYNJ-UHFFFAOYSA-N 2 1 422.617 3.987 20 0 HHADMP C[C@@H]([NH2+]CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)c1cccc(N2CCCC2)c1 ZINC000538277930 1013816183 /nfs/dbraw/zinc/81/61/83/1013816183.db2.gz VGPFIITTXIMWBH-FGZHOGPDSA-N 2 1 420.601 3.843 20 0 HHADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000065858213 968684381 /nfs/dbraw/zinc/68/43/81/968684381.db2.gz JXFMEGYVEWOWNE-HSZRJFAPSA-N 2 1 409.549 3.950 20 0 HHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)c2cccs2)CC1 ZINC000538281076 1013819271 /nfs/dbraw/zinc/81/92/71/1013819271.db2.gz JDGSRRUFPJZRNK-LJQANCHMSA-N 2 1 415.994 3.870 20 0 HHADMP O=C(NC1CC[NH+](CC2CCCCC2)CC1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000066038040 968778903 /nfs/dbraw/zinc/77/89/03/968778903.db2.gz BFUPZUBVHMIUHT-UHFFFAOYSA-N 2 1 412.622 3.601 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000071923255 968890125 /nfs/dbraw/zinc/89/01/25/968890125.db2.gz NORWNGWKGLUMOS-ZCNNSNEGSA-N 2 1 406.640 3.942 20 0 HHADMP CC[N@@H+](C)[C@@H](C(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1)c1ccccc1 ZINC000072096965 968989473 /nfs/dbraw/zinc/98/94/73/968989473.db2.gz FSWYIJIBELNFDY-RUZDIDTESA-N 2 1 422.617 3.706 20 0 HHADMP C[C@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000078928011 969025357 /nfs/dbraw/zinc/02/53/57/969025357.db2.gz PBCQIESYFNPWFE-LJQANCHMSA-N 2 1 409.599 3.663 20 0 HHADMP C[C@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000078928011 969025365 /nfs/dbraw/zinc/02/53/65/969025365.db2.gz PBCQIESYFNPWFE-LJQANCHMSA-N 2 1 409.599 3.663 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCCCC[NH+]3CCCC[C@@H]3C)cc2)C[C@H](C)O1 ZINC000109121120 969465042 /nfs/dbraw/zinc/46/50/42/969465042.db2.gz VUINZWOBCFQCTB-PCCBWWKXSA-N 2 1 401.595 3.680 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCCCC[NH+]3CCCC[C@@H]3C)cc2)C[C@H](C)O1 ZINC000109121120 969465047 /nfs/dbraw/zinc/46/50/47/969465047.db2.gz VUINZWOBCFQCTB-PCCBWWKXSA-N 2 1 401.595 3.680 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)cc2)C[C@H](C)O1 ZINC000109121120 969465052 /nfs/dbraw/zinc/46/50/52/969465052.db2.gz VUINZWOBCFQCTB-PCCBWWKXSA-N 2 1 401.595 3.680 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)cc2)C[C@H](C)O1 ZINC000109121120 969465056 /nfs/dbraw/zinc/46/50/56/969465056.db2.gz VUINZWOBCFQCTB-PCCBWWKXSA-N 2 1 401.595 3.680 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)CC1 ZINC000554263983 1013883219 /nfs/dbraw/zinc/88/32/19/1013883219.db2.gz KSVUAQYEWRIIMX-DVECYGJZSA-N 2 1 406.574 3.554 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)CC1 ZINC000554263983 1013883227 /nfs/dbraw/zinc/88/32/27/1013883227.db2.gz KSVUAQYEWRIIMX-DVECYGJZSA-N 2 1 406.574 3.554 20 0 HHADMP CC[N@H+](Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1)C(C)C ZINC000110175670 969633300 /nfs/dbraw/zinc/63/33/00/969633300.db2.gz ZVTGXTBLNOIOMB-JOCHJYFZSA-N 2 1 422.617 3.857 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1)C(C)C ZINC000110175670 969633306 /nfs/dbraw/zinc/63/33/06/969633306.db2.gz ZVTGXTBLNOIOMB-JOCHJYFZSA-N 2 1 422.617 3.857 20 0 HHADMP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554376050 1013925088 /nfs/dbraw/zinc/92/50/88/1013925088.db2.gz DGEAIPFMVDRCNA-YZGWKJHDSA-N 2 1 411.512 3.820 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@@H](O)COc3ccc(C(C)(C)C)cc3)CC2)C[C@H](C)O1 ZINC000228927476 970127880 /nfs/dbraw/zinc/12/78/80/970127880.db2.gz CLMIRBYJPHHPGG-ZRCGQRJVSA-N 2 1 418.622 3.545 20 0 HHADMP CC(C)[NH+](CCC[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2)C(C)C ZINC000236780312 970171583 /nfs/dbraw/zinc/17/15/83/970171583.db2.gz GDFKFIXYCUVNIU-UHFFFAOYSA-N 2 1 400.567 3.847 20 0 HHADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000236876219 970183147 /nfs/dbraw/zinc/18/31/47/970183147.db2.gz VMYNTZGLZVBTKZ-UHFFFAOYSA-N 2 1 420.342 3.558 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cccc(OC)c2OC)CC1 ZINC000236982751 970200130 /nfs/dbraw/zinc/20/01/30/970200130.db2.gz SJVIQOLVOOJSOX-QGZVFWFLSA-N 2 1 401.526 3.836 20 0 HHADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)CC1 ZINC000237211328 970242260 /nfs/dbraw/zinc/24/22/60/970242260.db2.gz KDGXMGFXKXMITK-UHFFFAOYSA-N 2 1 422.573 3.812 20 0 HHADMP COc1ccc2ccccc2c1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000237331692 970264249 /nfs/dbraw/zinc/26/42/49/970264249.db2.gz VBBYHXSHNUFSCJ-QFIPXVFZSA-N 2 1 417.553 3.836 20 0 HHADMP COc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)ccc1OCc1ccccc1 ZINC000237356420 970269175 /nfs/dbraw/zinc/26/91/75/970269175.db2.gz UPRGCURXRRWNCG-JOCHJYFZSA-N 2 1 410.558 3.865 20 0 HHADMP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1OC ZINC000554560231 1013977806 /nfs/dbraw/zinc/97/78/06/1013977806.db2.gz CQTUFORZZXWGKN-UYAOXDASSA-N 2 1 417.619 3.583 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C[C@H](C)O1 ZINC000237779131 970364634 /nfs/dbraw/zinc/36/46/34/970364634.db2.gz JJIFLQLORFIDES-KDURUIRLSA-N 2 1 408.521 3.910 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(OC(F)(F)F)cc3)c2)C1 ZINC000237916211 970394067 /nfs/dbraw/zinc/39/40/67/970394067.db2.gz KSVSMCIEUZZRBW-LJQANCHMSA-N 2 1 421.463 3.572 20 0 HHADMP O[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000237975154 970409540 /nfs/dbraw/zinc/40/95/40/970409540.db2.gz SPACZWZOBWTSFG-JOCHJYFZSA-N 2 1 410.949 3.739 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000150167609 970431736 /nfs/dbraw/zinc/43/17/36/970431736.db2.gz JABBRJGDXVNUKU-NRFANRHFSA-N 2 1 400.611 3.852 20 0 HHADMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)COc1cc(Cl)ccc1Cl ZINC000382607241 972786654 /nfs/dbraw/zinc/78/66/54/972786654.db2.gz YGMDIDGAHOUIEQ-IBGZPJMESA-N 2 1 409.357 3.987 20 0 HHADMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)COc1c(Cl)cccc1Cl ZINC000389120948 972810629 /nfs/dbraw/zinc/81/06/29/972810629.db2.gz RXDFVNCQNMHFPR-SFHVURJKSA-N 2 1 409.357 3.987 20 0 HHADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000554848594 1014073781 /nfs/dbraw/zinc/07/37/81/1014073781.db2.gz OFXURJPEXNVFQR-YZGWKJHDSA-N 2 1 423.523 3.820 20 0 HHADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000554848594 1014073784 /nfs/dbraw/zinc/07/37/84/1014073784.db2.gz OFXURJPEXNVFQR-YZGWKJHDSA-N 2 1 423.523 3.820 20 0 HHADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000554848594 1014073790 /nfs/dbraw/zinc/07/37/90/1014073790.db2.gz OFXURJPEXNVFQR-YZGWKJHDSA-N 2 1 423.523 3.820 20 0 HHADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000554848594 1014073794 /nfs/dbraw/zinc/07/37/94/1014073794.db2.gz OFXURJPEXNVFQR-YZGWKJHDSA-N 2 1 423.523 3.820 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000410311088 973852724 /nfs/dbraw/zinc/85/27/24/973852724.db2.gz SCZHKFZVCCRAIK-OAQYLSRUSA-N 2 1 400.611 3.505 20 0 HHADMP C[N@H+](CCC(=O)Nc1cccc2ccccc21)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425925384 974036563 /nfs/dbraw/zinc/03/65/63/974036563.db2.gz RAITYRSXXWIOOO-AREMUKBSSA-N 2 1 417.553 3.737 20 0 HHADMP C[N@@H+](CCC(=O)Nc1cccc2ccccc21)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425925384 974036572 /nfs/dbraw/zinc/03/65/72/974036572.db2.gz RAITYRSXXWIOOO-AREMUKBSSA-N 2 1 417.553 3.737 20 0 HHADMP C[NH+](CCC(=O)Nc1cccc2ccccc21)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425925384 974036577 /nfs/dbraw/zinc/03/65/77/974036577.db2.gz RAITYRSXXWIOOO-AREMUKBSSA-N 2 1 417.553 3.737 20 0 HHADMP C[NH+](CCC(=O)Nc1cccc2ccccc21)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425925384 974036587 /nfs/dbraw/zinc/03/65/87/974036587.db2.gz RAITYRSXXWIOOO-AREMUKBSSA-N 2 1 417.553 3.737 20 0 HHADMP CC[N@@H+](CCNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)CCC(F)(F)F ZINC000425993084 974105711 /nfs/dbraw/zinc/10/57/11/974105711.db2.gz AIHAADAYDBLMDC-ZWKOTPCHSA-N 2 1 406.537 3.557 20 0 HHADMP CC[NH+](CCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)CCC(F)(F)F ZINC000425993084 974105716 /nfs/dbraw/zinc/10/57/16/974105716.db2.gz AIHAADAYDBLMDC-ZWKOTPCHSA-N 2 1 406.537 3.557 20 0 HHADMP CC[NH+](CCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)CCC(F)(F)F ZINC000425993084 974105722 /nfs/dbraw/zinc/10/57/22/974105722.db2.gz AIHAADAYDBLMDC-ZWKOTPCHSA-N 2 1 406.537 3.557 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000426125903 974248617 /nfs/dbraw/zinc/24/86/17/974248617.db2.gz IBOJGOYEACMSQB-DENIHFKCSA-N 2 1 402.583 3.745 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000426125904 974248719 /nfs/dbraw/zinc/24/87/19/974248719.db2.gz IBOJGOYEACMSQB-KNQAVFIVSA-N 2 1 402.583 3.745 20 0 HHADMP CSc1ccc(NC(=O)C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000426765355 974643189 /nfs/dbraw/zinc/64/31/89/974643189.db2.gz MVMWDSJIEBGLTI-ROUUACIJSA-N 2 1 405.608 3.558 20 0 HHADMP CCn1c(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc2cc(F)ccc21 ZINC000426770523 974647268 /nfs/dbraw/zinc/64/72/68/974647268.db2.gz SSVCMZDTBXGEJI-HDICACEKSA-N 2 1 402.558 3.907 20 0 HHADMP CCn1c(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc2cc(F)ccc21 ZINC000426770523 974647272 /nfs/dbraw/zinc/64/72/72/974647272.db2.gz SSVCMZDTBXGEJI-HDICACEKSA-N 2 1 402.558 3.907 20 0 HHADMP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000426770953 974647994 /nfs/dbraw/zinc/64/79/94/974647994.db2.gz XQNDDYXKTUIFRM-NJYVYQBISA-N 2 1 401.595 3.842 20 0 HHADMP Cc1sc(NC(=O)C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(C)c1C ZINC000426774525 974650770 /nfs/dbraw/zinc/65/07/70/974650770.db2.gz PAWQTLIKJUMFQQ-HZPDHXFCSA-N 2 1 407.624 3.823 20 0 HHADMP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426789519 974660979 /nfs/dbraw/zinc/66/09/79/974660979.db2.gz VMXZNZHGYQSZIO-YYDVJCTNSA-N 2 1 417.594 3.624 20 0 HHADMP CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000426810921 974677309 /nfs/dbraw/zinc/67/73/09/974677309.db2.gz KBLNOICVWSIREI-UFYCRDLUSA-N 2 1 401.595 3.787 20 0 HHADMP C[C@@H]1C[NH+](CCC2CC[NH+](CC(=O)Nc3cccc4ccccc43)CC2)C[C@@H](C)O1 ZINC000426818130 974683398 /nfs/dbraw/zinc/68/33/98/974683398.db2.gz DIRBSMAJRQLLBF-WOJBJXKFSA-N 2 1 409.574 3.990 20 0 HHADMP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426823834 974689346 /nfs/dbraw/zinc/68/93/46/974689346.db2.gz FBPFLDARXGUDBN-KDURUIRLSA-N 2 1 402.579 3.999 20 0 HHADMP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426823834 974689349 /nfs/dbraw/zinc/68/93/49/974689349.db2.gz FBPFLDARXGUDBN-KDURUIRLSA-N 2 1 402.579 3.999 20 0 HHADMP C[C@H](NC(=O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1Cl ZINC000426837777 974701946 /nfs/dbraw/zinc/70/19/46/974701946.db2.gz YVSRUJFGUWPWDA-OTWHNJEPSA-N 2 1 422.013 3.729 20 0 HHADMP O=C(Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000426930093 974760105 /nfs/dbraw/zinc/76/01/05/974760105.db2.gz XOCKOANHKYEXMC-VWLOTQADSA-N 2 1 418.585 3.617 20 0 HHADMP CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000427674021 975233790 /nfs/dbraw/zinc/23/37/90/975233790.db2.gz YRNVGJIQGBTYQN-FUPPJEDESA-N 2 1 418.622 3.761 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]Cc4cccnc4N4CCOCC4)[C@H]3C2)cc1 ZINC000428245028 975561941 /nfs/dbraw/zinc/56/19/41/975561941.db2.gz ZYXHSPIMQQKUSE-CCDWMCETSA-N 2 1 420.601 3.699 20 0 HHADMP CC(C)O[C@@H](C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000428298969 975608742 /nfs/dbraw/zinc/60/87/42/975608742.db2.gz VWRCXRIPWNIAQV-IMSXRSKXSA-N 2 1 404.595 3.743 20 0 HHADMP CC(C)O[C@@H](C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000428298969 975608748 /nfs/dbraw/zinc/60/87/48/975608748.db2.gz VWRCXRIPWNIAQV-IMSXRSKXSA-N 2 1 404.595 3.743 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[NH+](C)C)cc1 ZINC000428683705 975975301 /nfs/dbraw/zinc/97/53/01/975975301.db2.gz GDGGXTLBUUTXHH-HUVFLSCGSA-N 2 1 408.590 3.950 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)NCCCC[NH+]3CCCC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000428921913 976222164 /nfs/dbraw/zinc/22/21/64/976222164.db2.gz ONFOYINVWIBYKE-FDFHNCONSA-N 2 1 422.658 3.562 20 0 HHADMP C[C@@H]1C[NH+](CCC2CCN(C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000428921913 976222167 /nfs/dbraw/zinc/22/21/67/976222167.db2.gz ONFOYINVWIBYKE-FDFHNCONSA-N 2 1 422.658 3.562 20 0 HHADMP C[C@@H]1C[NH+](CCC2CCN(C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000428921913 976222172 /nfs/dbraw/zinc/22/21/72/976222172.db2.gz ONFOYINVWIBYKE-FDFHNCONSA-N 2 1 422.658 3.562 20 0 HHADMP C[C@@H]1C[NH+](CCC2CCN(C(=O)NCCC[N@@H+](C)C3CCCCC3)CC2)C[C@@H](C)O1 ZINC000428933762 976233721 /nfs/dbraw/zinc/23/37/21/976233721.db2.gz VFCMUJAACUYTTP-NHCUHLMSSA-N 2 1 422.658 3.562 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000429240923 976530615 /nfs/dbraw/zinc/53/06/15/976530615.db2.gz XTZBXCSGAAAGSL-HXUWFJFHSA-N 2 1 422.577 3.987 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000429240923 976530635 /nfs/dbraw/zinc/53/06/35/976530635.db2.gz XTZBXCSGAAAGSL-HXUWFJFHSA-N 2 1 422.577 3.987 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000429244549 976533145 /nfs/dbraw/zinc/53/31/45/976533145.db2.gz LMLULBPOOGXEMU-KRWDZBQOSA-N 2 1 413.591 3.814 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000429244549 976533155 /nfs/dbraw/zinc/53/31/55/976533155.db2.gz LMLULBPOOGXEMU-KRWDZBQOSA-N 2 1 413.591 3.814 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000429250896 976538800 /nfs/dbraw/zinc/53/88/00/976538800.db2.gz BFSRLFOXWGXHNK-OAHLLOKOSA-N 2 1 407.356 3.947 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000429250896 976538814 /nfs/dbraw/zinc/53/88/14/976538814.db2.gz BFSRLFOXWGXHNK-OAHLLOKOSA-N 2 1 407.356 3.947 20 0 HHADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000429490292 976747726 /nfs/dbraw/zinc/74/77/26/976747726.db2.gz LOTFBKHMAZGSLN-REWPJTCUSA-N 2 1 412.622 3.587 20 0 HHADMP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000429490290 976748329 /nfs/dbraw/zinc/74/83/29/976748329.db2.gz LOTFBKHMAZGSLN-NZQKXSOJSA-N 2 1 412.622 3.587 20 0 HHADMP CN(C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000429686411 976980072 /nfs/dbraw/zinc/98/00/72/976980072.db2.gz ZHEDDDBKLKTPLN-AREMUKBSSA-N 2 1 407.602 3.874 20 0 HHADMP COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000430107657 977322516 /nfs/dbraw/zinc/32/25/16/977322516.db2.gz SMQARQOIPWAVLG-AREMUKBSSA-N 2 1 421.585 3.534 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000430660771 977673504 /nfs/dbraw/zinc/67/35/04/977673504.db2.gz FLQOROQYAOWJGY-VEXUSMLFSA-N 2 1 409.549 3.959 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000430660771 977673514 /nfs/dbraw/zinc/67/35/14/977673514.db2.gz FLQOROQYAOWJGY-VEXUSMLFSA-N 2 1 409.549 3.959 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000430660771 977673519 /nfs/dbraw/zinc/67/35/19/977673519.db2.gz FLQOROQYAOWJGY-VEXUSMLFSA-N 2 1 409.549 3.959 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000430660771 977673524 /nfs/dbraw/zinc/67/35/24/977673524.db2.gz FLQOROQYAOWJGY-VEXUSMLFSA-N 2 1 409.549 3.959 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000430660770 977673622 /nfs/dbraw/zinc/67/36/22/977673622.db2.gz FLQOROQYAOWJGY-FOVJLYNBSA-N 2 1 409.549 3.959 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000430660770 977673625 /nfs/dbraw/zinc/67/36/25/977673625.db2.gz FLQOROQYAOWJGY-FOVJLYNBSA-N 2 1 409.549 3.959 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000430660770 977673628 /nfs/dbraw/zinc/67/36/28/977673628.db2.gz FLQOROQYAOWJGY-FOVJLYNBSA-N 2 1 409.549 3.959 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000430660770 977673630 /nfs/dbraw/zinc/67/36/30/977673630.db2.gz FLQOROQYAOWJGY-FOVJLYNBSA-N 2 1 409.549 3.959 20 0 HHADMP Cc1cc2ccccc2n1CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430671927 977682830 /nfs/dbraw/zinc/68/28/30/977682830.db2.gz SCEGOSRQSYFAHE-UHFFFAOYSA-N 2 1 410.606 3.604 20 0 HHADMP CSCc1cc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1F ZINC000430677969 977688742 /nfs/dbraw/zinc/68/87/42/977688742.db2.gz RMIYQZGZTWCDKZ-UHFFFAOYSA-N 2 1 421.626 3.957 20 0 HHADMP C[C@H](CCOc1ccccc1)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430679596 977689780 /nfs/dbraw/zinc/68/97/80/977689780.db2.gz VTGOLZMNZGQNTH-OAQYLSRUSA-N 2 1 415.622 3.746 20 0 HHADMP C[C@@H](CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC000430679005 977689932 /nfs/dbraw/zinc/68/99/32/977689932.db2.gz KPEUTRAYPXDBHS-IBGZPJMESA-N 2 1 403.586 3.974 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCCOc1cccc(F)c1 ZINC000430684629 977694263 /nfs/dbraw/zinc/69/42/63/977694263.db2.gz OASRXGQHYPCKDE-UHFFFAOYSA-N 2 1 419.585 3.639 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000430687078 977695126 /nfs/dbraw/zinc/69/51/26/977695126.db2.gz OUVHSUSYFJVMMO-NHCUHLMSSA-N 2 1 419.560 3.723 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCOc1ccc(Cl)cc1 ZINC000430687577 977696160 /nfs/dbraw/zinc/69/61/60/977696160.db2.gz RFBNJQXUVWOFNJ-UHFFFAOYSA-N 2 1 422.013 3.764 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@H+](C)CC(=O)Nc3cc(Cl)ccc3F)CC2)CC1 ZINC000430922938 977890112 /nfs/dbraw/zinc/89/01/12/977890112.db2.gz BITCGHBTFPZADC-UHFFFAOYSA-N 2 1 424.992 3.546 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC(=O)Nc3cc(Cl)ccc3F)CC2)CC1 ZINC000430922938 977890121 /nfs/dbraw/zinc/89/01/21/977890121.db2.gz BITCGHBTFPZADC-UHFFFAOYSA-N 2 1 424.992 3.546 20 0 HHADMP CCOc1ccccc1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431063299 977993936 /nfs/dbraw/zinc/99/39/36/977993936.db2.gz ZPZNKGFGQQVLDW-UHFFFAOYSA-N 2 1 402.583 3.745 20 0 HHADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000431120311 978030931 /nfs/dbraw/zinc/03/09/31/978030931.db2.gz BMFPZRWKOYAOLC-XMMPIXPASA-N 2 1 406.574 3.518 20 0 HHADMP Cc1cc(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)n(C2CC[NH+](C)CC2)n1 ZINC000431149682 978051847 /nfs/dbraw/zinc/05/18/47/978051847.db2.gz CQFUPBPDJMXDCL-UHFFFAOYSA-N 2 1 412.582 3.620 20 0 HHADMP COc1c(F)cc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1F ZINC000431403799 978277450 /nfs/dbraw/zinc/27/74/50/978277450.db2.gz VENXSCUFIMHRMP-UHFFFAOYSA-N 2 1 424.536 3.633 20 0 HHADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000431569462 978363643 /nfs/dbraw/zinc/36/36/43/978363643.db2.gz HYARLCZBLRPYAA-TZIWHRDSSA-N 2 1 406.640 3.680 20 0 HHADMP C[C@H](CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccs1 ZINC000431674602 978428033 /nfs/dbraw/zinc/42/80/33/978428033.db2.gz DTSCBSPMIVTUGC-IBGZPJMESA-N 2 1 420.667 3.764 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000431674769 978428411 /nfs/dbraw/zinc/42/84/11/978428411.db2.gz UUYCBFFIZTYDLC-BHIFYINESA-N 2 1 404.643 3.793 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000431675844 978428989 /nfs/dbraw/zinc/42/89/89/978428989.db2.gz JPTKZWFIKIQRSR-URXFXBBRSA-N 2 1 406.574 3.567 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000431675844 978428994 /nfs/dbraw/zinc/42/89/94/978428994.db2.gz JPTKZWFIKIQRSR-URXFXBBRSA-N 2 1 406.574 3.567 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000431688904 978436653 /nfs/dbraw/zinc/43/66/53/978436653.db2.gz FRATYHAYORYRJH-QDSKXPNFSA-N 2 1 406.574 3.613 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000431688904 978436655 /nfs/dbraw/zinc/43/66/55/978436655.db2.gz FRATYHAYORYRJH-QDSKXPNFSA-N 2 1 406.574 3.613 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000431688904 978436657 /nfs/dbraw/zinc/43/66/57/978436657.db2.gz FRATYHAYORYRJH-QDSKXPNFSA-N 2 1 406.574 3.613 20 0 HHADMP CCS[C@@H]1CCCC[C@H]1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431687969 978436787 /nfs/dbraw/zinc/43/67/87/978436787.db2.gz RUDMWVLGNJUPNW-FGZHOGPDSA-N 2 1 424.699 3.888 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000431698103 978442872 /nfs/dbraw/zinc/44/28/72/978442872.db2.gz KUIGIWWJRQPPSQ-RDPSFJRHSA-N 2 1 408.590 3.991 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000431698103 978442874 /nfs/dbraw/zinc/44/28/74/978442874.db2.gz KUIGIWWJRQPPSQ-RDPSFJRHSA-N 2 1 408.590 3.991 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000431698103 978442880 /nfs/dbraw/zinc/44/28/80/978442880.db2.gz KUIGIWWJRQPPSQ-RDPSFJRHSA-N 2 1 408.590 3.991 20 0 HHADMP Cc1sc2ncnc(N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2c1C ZINC000431804285 978526372 /nfs/dbraw/zinc/52/63/72/978526372.db2.gz IDCXUYAJCVMJMX-UHFFFAOYSA-N 2 1 401.624 3.941 20 0 HHADMP CCc1cc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc(-c2ccccn2)n1 ZINC000431846483 978549902 /nfs/dbraw/zinc/54/99/02/978549902.db2.gz JBYKHTMOIKORIX-UHFFFAOYSA-N 2 1 422.621 3.734 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000432423082 978805458 /nfs/dbraw/zinc/80/54/58/978805458.db2.gz WQSCWERCBGAWBI-QXCFHYIPSA-N 2 1 411.512 3.847 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000432423082 978805460 /nfs/dbraw/zinc/80/54/60/978805460.db2.gz WQSCWERCBGAWBI-QXCFHYIPSA-N 2 1 411.512 3.847 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000432423082 978805471 /nfs/dbraw/zinc/80/54/71/978805471.db2.gz WQSCWERCBGAWBI-QXCFHYIPSA-N 2 1 411.512 3.847 20 0 HHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NCCC[N@@H+]3CCCO[C@@H](C)C3)c2c1C ZINC000432849635 978991649 /nfs/dbraw/zinc/99/16/49/978991649.db2.gz AUYYNDYUFJKCSB-INIZCTEOSA-N 2 1 417.623 3.817 20 0 HHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NCCC[N@H+]3CCCO[C@@H](C)C3)c2c1C ZINC000432849635 978991650 /nfs/dbraw/zinc/99/16/50/978991650.db2.gz AUYYNDYUFJKCSB-INIZCTEOSA-N 2 1 417.623 3.817 20 0 HHADMP CC(C)[NH+](Cc1cc(Br)ccc1C[N@H+](C[C@@H](C)O)C(C)C)C[C@H](C)O ZINC000432963146 979026369 /nfs/dbraw/zinc/02/63/69/979026369.db2.gz ZKBUREPQJRYOAR-SJORKVTESA-N 2 1 415.416 3.632 20 0 HHADMP CC(C)[NH+](Cc1ccc(Br)cc1C[N@H+](C[C@H](C)O)C(C)C)C[C@@H](C)O ZINC000432963146 979026373 /nfs/dbraw/zinc/02/63/73/979026373.db2.gz ZKBUREPQJRYOAR-SJORKVTESA-N 2 1 415.416 3.632 20 0 HHADMP CC(C)[NH+](Cc1ccc(Br)cc1C[N@@H+](C[C@H](C)O)C(C)C)C[C@@H](C)O ZINC000432963146 979026377 /nfs/dbraw/zinc/02/63/77/979026377.db2.gz ZKBUREPQJRYOAR-SJORKVTESA-N 2 1 415.416 3.632 20 0 HHADMP CC[NH+](Cc1cc(Br)ccc1C[N@H+](CC)CC(C)(C)O)CC(C)(C)O ZINC000432970965 979029091 /nfs/dbraw/zinc/02/90/91/979029091.db2.gz HYHTVKUKTBNNNP-UHFFFAOYSA-N 2 1 415.416 3.635 20 0 HHADMP CC[NH+](Cc1ccc(Br)cc1C[N@H+](CC)CC(C)(C)O)CC(C)(C)O ZINC000432970965 979029095 /nfs/dbraw/zinc/02/90/95/979029095.db2.gz HYHTVKUKTBNNNP-UHFFFAOYSA-N 2 1 415.416 3.635 20 0 HHADMP CC[NH+](Cc1ccc(Br)cc1C[N@@H+](CC)CC(C)(C)O)CC(C)(C)O ZINC000432970965 979029100 /nfs/dbraw/zinc/02/91/00/979029100.db2.gz HYHTVKUKTBNNNP-UHFFFAOYSA-N 2 1 415.416 3.635 20 0 HHADMP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000433108755 979076945 /nfs/dbraw/zinc/07/69/45/979076945.db2.gz IFHNXZMNBMZJDM-QZTJIDSGSA-N 2 1 417.491 3.625 20 0 HHADMP Cc1csc2nc(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)cc(=O)n12 ZINC000433115837 979080286 /nfs/dbraw/zinc/08/02/86/979080286.db2.gz PTOJVBQDZLUPKH-UHFFFAOYSA-N 2 1 408.571 3.553 20 0 HHADMP O[C@H](COc1cccc2[nH]ccc21)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433173162 979117795 /nfs/dbraw/zinc/11/77/95/979117795.db2.gz HFVVIQFGYGRRFV-QFIPXVFZSA-N 2 1 419.569 3.896 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433258401 979192237 /nfs/dbraw/zinc/19/22/37/979192237.db2.gz OXRNLZHSHFAGFH-GOSISDBHSA-N 2 1 419.367 3.726 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433258401 979192239 /nfs/dbraw/zinc/19/22/39/979192239.db2.gz OXRNLZHSHFAGFH-GOSISDBHSA-N 2 1 419.367 3.726 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000433363178 979257067 /nfs/dbraw/zinc/25/70/67/979257067.db2.gz GYUACTPSTAASHU-LADGPHEKSA-N 2 1 409.574 3.898 20 0 HHADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)CC1 ZINC000433376890 979262978 /nfs/dbraw/zinc/26/29/78/979262978.db2.gz ONKPYHHYZVGIKE-RXVVDRJESA-N 2 1 408.558 3.925 20 0 HHADMP Cc1cc(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)n([C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000435092857 980633149 /nfs/dbraw/zinc/63/31/49/980633149.db2.gz ASYVPUXHCYVGED-IFMALSPDSA-N 2 1 424.593 3.634 20 0 HHADMP Cc1cc(NC(=O)NCC[NH+]2CCCC[C@H]2C)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435092857 980633155 /nfs/dbraw/zinc/63/31/55/980633155.db2.gz ASYVPUXHCYVGED-IFMALSPDSA-N 2 1 424.593 3.634 20 0 HHADMP Cc1cc(NC(=O)NCC[NH+]2CCCC[C@H]2C)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435092857 980633159 /nfs/dbraw/zinc/63/31/59/980633159.db2.gz ASYVPUXHCYVGED-IFMALSPDSA-N 2 1 424.593 3.634 20 0 HHADMP Cc1cc(NC(=O)NCC[N@H+](C)C2CCCC2)n([C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000435527372 980921805 /nfs/dbraw/zinc/92/18/05/980921805.db2.gz LRDQCGSZHUOHBL-JOCHJYFZSA-N 2 1 424.593 3.634 20 0 HHADMP Cc1cc(NC(=O)NCC[NH+](C)C2CCCC2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435527372 980921810 /nfs/dbraw/zinc/92/18/10/980921810.db2.gz LRDQCGSZHUOHBL-JOCHJYFZSA-N 2 1 424.593 3.634 20 0 HHADMP Cc1cc(NC(=O)NCC[NH+](C)C2CCCC2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435527372 980921813 /nfs/dbraw/zinc/92/18/13/980921813.db2.gz LRDQCGSZHUOHBL-JOCHJYFZSA-N 2 1 424.593 3.634 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000448205136 981617373 /nfs/dbraw/zinc/61/73/73/981617373.db2.gz NZLDJRFAAGTBIS-UEAIJXMTSA-N 2 1 422.617 3.840 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448205136 981617376 /nfs/dbraw/zinc/61/73/76/981617376.db2.gz NZLDJRFAAGTBIS-UEAIJXMTSA-N 2 1 422.617 3.840 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448205136 981617378 /nfs/dbraw/zinc/61/73/78/981617378.db2.gz NZLDJRFAAGTBIS-UEAIJXMTSA-N 2 1 422.617 3.840 20 0 HHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)C1 ZINC000448213364 981627613 /nfs/dbraw/zinc/62/76/13/981627613.db2.gz MDZDJRPGKIGADT-HXUWFJFHSA-N 2 1 423.605 3.816 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)C1 ZINC000448213364 981627619 /nfs/dbraw/zinc/62/76/19/981627619.db2.gz MDZDJRPGKIGADT-HXUWFJFHSA-N 2 1 423.605 3.816 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Cc1ccccc1 ZINC000448214367 981628434 /nfs/dbraw/zinc/62/84/34/981628434.db2.gz SKJAIBFBDZCKAS-YFNKSVMNSA-N 2 1 412.622 3.598 20 0 HHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000448365746 981725974 /nfs/dbraw/zinc/72/59/74/981725974.db2.gz JUQVWUMRZUEICR-CVDCTZTESA-N 2 1 414.594 3.888 20 0 HHADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000448402672 981756136 /nfs/dbraw/zinc/75/61/36/981756136.db2.gz SHFYEZRTUDLSLV-IBGZPJMESA-N 2 1 404.624 3.725 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000448402672 981756141 /nfs/dbraw/zinc/75/61/41/981756141.db2.gz SHFYEZRTUDLSLV-IBGZPJMESA-N 2 1 404.624 3.725 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000448460553 981793692 /nfs/dbraw/zinc/79/36/92/981793692.db2.gz CTSVCKMCWCSVPX-HSALFYBXSA-N 2 1 406.640 3.893 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000448469705 981809110 /nfs/dbraw/zinc/80/91/10/981809110.db2.gz AZOGSFQUXOJYAV-FYYLOGMGSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000448469705 981809120 /nfs/dbraw/zinc/80/91/20/981809120.db2.gz AZOGSFQUXOJYAV-FYYLOGMGSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000448469705 981809130 /nfs/dbraw/zinc/80/91/30/981809130.db2.gz AZOGSFQUXOJYAV-FYYLOGMGSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(C)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000448473737 981815409 /nfs/dbraw/zinc/81/54/09/981815409.db2.gz SZEASBLMIRMEOI-DHIUTWEWSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000448473737 981815417 /nfs/dbraw/zinc/81/54/17/981815417.db2.gz SZEASBLMIRMEOI-DHIUTWEWSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000448473737 981815427 /nfs/dbraw/zinc/81/54/27/981815427.db2.gz SZEASBLMIRMEOI-DHIUTWEWSA-N 2 1 400.611 3.660 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000448519549 981846594 /nfs/dbraw/zinc/84/65/94/981846594.db2.gz FCCXMRWXSFLTCV-NYDSKATKSA-N 2 1 407.562 3.900 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000448519549 981846599 /nfs/dbraw/zinc/84/65/99/981846599.db2.gz FCCXMRWXSFLTCV-NYDSKATKSA-N 2 1 407.562 3.900 20 0 HHADMP O=C(NCCCCC[NH+]1CCCCC1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460319290 982097114 /nfs/dbraw/zinc/09/71/14/982097114.db2.gz NRWAHSAMDZCSLW-DNQXCXABSA-N 2 1 412.622 3.806 20 0 HHADMP C[C@@]1(c2ccccc2)CC[C@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000437770016 982344861 /nfs/dbraw/zinc/34/48/61/982344861.db2.gz FYWJRVQHHNTDDV-AZGAKELHSA-N 2 1 421.585 3.947 20 0 HHADMP C[C@@H]([NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000437787955 982356648 /nfs/dbraw/zinc/35/66/48/982356648.db2.gz SHPZVOPZHAKUCY-JJYICEPISA-N 2 1 409.574 3.836 20 0 HHADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000437852043 982409411 /nfs/dbraw/zinc/40/94/11/982409411.db2.gz LREJJROFXZVTKS-QFIPXVFZSA-N 2 1 401.620 3.762 20 0 HHADMP CCOC(=O)Cn1nc(C)c(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1C ZINC000438088913 982581557 /nfs/dbraw/zinc/58/15/57/982581557.db2.gz MWZCYJNGGSKCHD-GOSISDBHSA-N 2 1 412.578 3.585 20 0 HHADMP CCOC(=O)Cn1nc(C)c(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1C ZINC000438089555 982582301 /nfs/dbraw/zinc/58/23/01/982582301.db2.gz WAYHQIZSURSUOZ-SFHVURJKSA-N 2 1 412.578 3.585 20 0 HHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)c1ccco1 ZINC000461006859 982720637 /nfs/dbraw/zinc/72/06/37/982720637.db2.gz JLMWMKHTMKGQFW-XXTHSBEZSA-N 2 1 424.589 3.872 20 0 HHADMP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461438700 983102429 /nfs/dbraw/zinc/10/24/29/983102429.db2.gz MNUBCCSOERYBBS-JWQCQUIFSA-N 2 1 403.570 3.877 20 0 HHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2C[C@H](O)CN2Cc2ccccc2)CC1 ZINC000438833570 983103737 /nfs/dbraw/zinc/10/37/37/983103737.db2.gz XUHBPXZAJVLESD-HDLCADABSA-N 2 1 407.602 3.655 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000438847394 983114438 /nfs/dbraw/zinc/11/44/38/983114438.db2.gz CTXRCEZWMTVIKL-HYBUGGRVSA-N 2 1 421.589 3.571 20 0 HHADMP O=C(c1ccc(Cn2ccnc2)cc1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461451811 983117506 /nfs/dbraw/zinc/11/75/06/983117506.db2.gz TVJLIYYADXNOPH-DNQXCXABSA-N 2 1 400.526 3.526 20 0 HHADMP Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000438928239 983158825 /nfs/dbraw/zinc/15/88/25/983158825.db2.gz FMIKHVSPCXNRPW-RTWAWAEBSA-N 2 1 403.636 3.815 20 0 HHADMP CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000438971505 983186806 /nfs/dbraw/zinc/18/68/06/983186806.db2.gz GXOXHFPZXNIYPK-AUSIDOKSSA-N 2 1 415.626 3.505 20 0 HHADMP CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000438971505 983186810 /nfs/dbraw/zinc/18/68/10/983186810.db2.gz GXOXHFPZXNIYPK-AUSIDOKSSA-N 2 1 415.626 3.505 20 0 HHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000439006770 983206254 /nfs/dbraw/zinc/20/62/54/983206254.db2.gz SXALBDHMDGOOCO-INIZCTEOSA-N 2 1 414.550 3.821 20 0 HHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000439083214 983242185 /nfs/dbraw/zinc/24/21/85/983242185.db2.gz GGNSQLMRSNNIFV-DVECYGJZSA-N 2 1 424.589 3.683 20 0 HHADMP C[NH+](C)CCN(Cc1cccs1)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000439174684 983291239 /nfs/dbraw/zinc/29/12/39/983291239.db2.gz YKAZDUCISGSMMY-UHFFFAOYSA-N 2 1 414.619 3.658 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000439770444 983531993 /nfs/dbraw/zinc/53/19/93/983531993.db2.gz XXSBFKFYSTZDTE-HRAATJIYSA-N 2 1 400.954 3.680 20 0 HHADMP COc1cccc([C@@H](C)CC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000439903066 983577589 /nfs/dbraw/zinc/57/75/89/983577589.db2.gz OGJQZMSCMNHGEG-FQEVSTJZSA-N 2 1 415.622 3.844 20 0 HHADMP CCC[N@H+](Cc1ccsc1C(=O)OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000440439116 983757754 /nfs/dbraw/zinc/75/77/54/983757754.db2.gz BRTPWLBAXYRPLF-UHFFFAOYSA-N 2 1 402.564 3.823 20 0 HHADMP CCC[N@@H+](Cc1ccsc1C(=O)OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000440439116 983757757 /nfs/dbraw/zinc/75/77/57/983757757.db2.gz BRTPWLBAXYRPLF-UHFFFAOYSA-N 2 1 402.564 3.823 20 0 HHADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)Nc3cccc(CC[NH+]4CCCC4)c3)c2C1 ZINC000440491268 983775071 /nfs/dbraw/zinc/77/50/71/983775071.db2.gz GQUZETDSZNWMEQ-UHFFFAOYSA-N 2 1 420.557 3.628 20 0 HHADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)Nc3cccc(CC[NH+]4CCCC4)c3)c2C1 ZINC000440491268 983775075 /nfs/dbraw/zinc/77/50/75/983775075.db2.gz GQUZETDSZNWMEQ-UHFFFAOYSA-N 2 1 420.557 3.628 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000441192135 984107542 /nfs/dbraw/zinc/10/75/42/984107542.db2.gz DBFPHCKDYHROIO-QDSKXPNFSA-N 2 1 407.558 3.866 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccncc2OCC(F)F)CC1 ZINC000441354384 984203534 /nfs/dbraw/zinc/20/35/34/984203534.db2.gz IHDAGZKQENQOOH-UHFFFAOYSA-N 2 1 404.505 3.547 20 0 HHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@H]([NH+](C)Cc2ccccn2)CC1 ZINC000461721057 984737121 /nfs/dbraw/zinc/73/71/21/984737121.db2.gz GAICGVQVIUBMJP-QPPBQGQZSA-N 2 1 423.605 3.598 20 0 HHADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000461721057 984737126 /nfs/dbraw/zinc/73/71/26/984737126.db2.gz GAICGVQVIUBMJP-QPPBQGQZSA-N 2 1 423.605 3.598 20 0 HHADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000461721057 984737130 /nfs/dbraw/zinc/73/71/30/984737130.db2.gz GAICGVQVIUBMJP-QPPBQGQZSA-N 2 1 423.605 3.598 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000462172403 985151385 /nfs/dbraw/zinc/15/13/85/985151385.db2.gz YYMFOPGMJHDITB-QTDDQOEGSA-N 2 1 421.585 3.546 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000462172403 985151388 /nfs/dbraw/zinc/15/13/88/985151388.db2.gz YYMFOPGMJHDITB-QTDDQOEGSA-N 2 1 421.585 3.546 20 0 HHADMP C[C@H](c1ccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1)[NH+]1CCOCC1 ZINC000462253911 985238192 /nfs/dbraw/zinc/23/81/92/985238192.db2.gz IRQCSLTULGFJNQ-YOSAUDMPSA-N 2 1 422.573 3.722 20 0 HHADMP C[C@H](c1ccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1)[NH+]1CCOCC1 ZINC000462253911 985238197 /nfs/dbraw/zinc/23/81/97/985238197.db2.gz IRQCSLTULGFJNQ-YOSAUDMPSA-N 2 1 422.573 3.722 20 0 HHADMP C[C@@H](c1cccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1)N1CCOCC1 ZINC000462255933 985240800 /nfs/dbraw/zinc/24/08/00/985240800.db2.gz RXJWQRYXJHRFEW-NMMYMHLASA-N 2 1 422.573 3.722 20 0 HHADMP Cc1cc(CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc(N2CCCC2)[nH+]1 ZINC000462264121 985253422 /nfs/dbraw/zinc/25/34/22/985253422.db2.gz UOCFJGLZOJYXIU-NRFANRHFSA-N 2 1 413.610 3.788 20 0 HHADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1(C)C ZINC000442875448 985254352 /nfs/dbraw/zinc/25/43/52/985254352.db2.gz WADVKKNYYPCLCE-SFHVURJKSA-N 2 1 402.583 3.942 20 0 HHADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000462265222 985254983 /nfs/dbraw/zinc/25/49/83/985254983.db2.gz GXIWFBDSDLAQLE-RTWAWAEBSA-N 2 1 401.599 3.690 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1F ZINC000462307176 985293225 /nfs/dbraw/zinc/29/32/25/985293225.db2.gz DOZVUAXCBJBLRD-HTAPYJJXSA-N 2 1 421.520 3.640 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1F ZINC000462307176 985293234 /nfs/dbraw/zinc/29/32/34/985293234.db2.gz DOZVUAXCBJBLRD-HTAPYJJXSA-N 2 1 421.520 3.640 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000462524626 985474553 /nfs/dbraw/zinc/47/45/53/985474553.db2.gz WQNCHMAUVCWVSS-BWKNWUBXSA-N 2 1 420.601 3.513 20 0 HHADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000462745898 985686710 /nfs/dbraw/zinc/68/67/10/985686710.db2.gz QVXQOFPVVZCCKT-HSZRJFAPSA-N 2 1 412.622 3.949 20 0 HHADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000462749558 985691001 /nfs/dbraw/zinc/69/10/01/985691001.db2.gz JQWDMCUBJGIPTQ-RPWUZVMVSA-N 2 1 412.622 3.949 20 0 HHADMP COc1cccc(Cl)c1CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000462777186 985713369 /nfs/dbraw/zinc/71/33/69/985713369.db2.gz SZRXZLGFRFVXGI-UHFFFAOYSA-N 2 1 422.013 3.546 20 0 HHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3cn(C)nc3C(F)F)cc2)C[C@H]1C ZINC000462781915 985717353 /nfs/dbraw/zinc/71/73/53/985717353.db2.gz WJXJXHOHNVXGPY-CALCHBBNSA-N 2 1 406.521 3.657 20 0 HHADMP C[C@H](C[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1)CN1CCN(C)CC1 ZINC000462816825 985744294 /nfs/dbraw/zinc/74/42/94/985744294.db2.gz MFZZDIVNYMKROE-RCZVLFRGSA-N 2 1 418.645 3.852 20 0 HHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000463008319 985961161 /nfs/dbraw/zinc/96/11/61/985961161.db2.gz GRMSLWYFZDXLKE-RDPSFJRHSA-N 2 1 408.590 3.800 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000463015026 985969314 /nfs/dbraw/zinc/96/93/14/985969314.db2.gz WVCALXBYRHGVMC-IEZKXTBUSA-N 2 1 420.601 3.670 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000463015026 985969333 /nfs/dbraw/zinc/96/93/33/985969333.db2.gz WVCALXBYRHGVMC-IEZKXTBUSA-N 2 1 420.601 3.670 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000463015026 985969338 /nfs/dbraw/zinc/96/93/38/985969338.db2.gz WVCALXBYRHGVMC-IEZKXTBUSA-N 2 1 420.601 3.670 20 0 HHADMP CCOCCC[N@H+]1CC[C@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000463123557 986088317 /nfs/dbraw/zinc/08/83/17/986088317.db2.gz KCFGBCIMJOIXGM-RDPSFJRHSA-N 2 1 405.602 3.559 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000463123557 986088332 /nfs/dbraw/zinc/08/83/32/986088332.db2.gz KCFGBCIMJOIXGM-RDPSFJRHSA-N 2 1 405.602 3.559 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000463123557 986088348 /nfs/dbraw/zinc/08/83/48/986088348.db2.gz KCFGBCIMJOIXGM-RDPSFJRHSA-N 2 1 405.602 3.559 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]CCCN2CCN(c3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463140441 986109121 /nfs/dbraw/zinc/10/91/21/986109121.db2.gz VVPYSQMRGSFDRZ-NOZRDPDXSA-N 2 1 406.618 3.841 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]CCCN2CCN(c3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463140441 986109124 /nfs/dbraw/zinc/10/91/24/986109124.db2.gz VVPYSQMRGSFDRZ-NOZRDPDXSA-N 2 1 406.618 3.841 20 0 HHADMP COc1cc(OC)cc(N2CC[C@@H](C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC000463192806 986164966 /nfs/dbraw/zinc/16/49/66/986164966.db2.gz QEBZYYIAORHNMN-QFIPXVFZSA-N 2 1 423.601 3.827 20 0 HHADMP COc1cc(CN2CC[C@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)cc(OC)c1 ZINC000463205220 986177080 /nfs/dbraw/zinc/17/70/80/986177080.db2.gz LXDSXARKZJSRRA-DEOSSOPVSA-N 2 1 423.601 3.575 20 0 HHADMP c1ccc(CC[NH+]2CCC(NC[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000463244048 986212053 /nfs/dbraw/zinc/21/20/53/986212053.db2.gz SHQZPCZPKHQNFI-AREMUKBSSA-N 2 1 407.602 3.574 20 0 HHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000463246876 986214583 /nfs/dbraw/zinc/21/45/83/986214583.db2.gz XRDAJOYBKRMABH-QIRZMJTCSA-N 2 1 419.613 3.655 20 0 HHADMP OC[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000463246876 986214593 /nfs/dbraw/zinc/21/45/93/986214593.db2.gz XRDAJOYBKRMABH-QIRZMJTCSA-N 2 1 419.613 3.655 20 0 HHADMP OC[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000463246876 986214605 /nfs/dbraw/zinc/21/46/05/986214605.db2.gz XRDAJOYBKRMABH-QIRZMJTCSA-N 2 1 419.613 3.655 20 0 HHADMP OC[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000463246876 986214615 /nfs/dbraw/zinc/21/46/15/986214615.db2.gz XRDAJOYBKRMABH-QIRZMJTCSA-N 2 1 419.613 3.655 20 0 HHADMP OC[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000463246876 986214623 /nfs/dbraw/zinc/21/46/23/986214623.db2.gz XRDAJOYBKRMABH-QIRZMJTCSA-N 2 1 419.613 3.655 20 0 HHADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000463246875 986214769 /nfs/dbraw/zinc/21/47/69/986214769.db2.gz XRDAJOYBKRMABH-MNWKKDAASA-N 2 1 419.613 3.655 20 0 HHADMP OC[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000463246875 986214774 /nfs/dbraw/zinc/21/47/74/986214774.db2.gz XRDAJOYBKRMABH-MNWKKDAASA-N 2 1 419.613 3.655 20 0 HHADMP OC[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000463246875 986214780 /nfs/dbraw/zinc/21/47/80/986214780.db2.gz XRDAJOYBKRMABH-MNWKKDAASA-N 2 1 419.613 3.655 20 0 HHADMP OC[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000463246875 986214788 /nfs/dbraw/zinc/21/47/88/986214788.db2.gz XRDAJOYBKRMABH-MNWKKDAASA-N 2 1 419.613 3.655 20 0 HHADMP OC[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000463246875 986214795 /nfs/dbraw/zinc/21/47/95/986214795.db2.gz XRDAJOYBKRMABH-MNWKKDAASA-N 2 1 419.613 3.655 20 0 HHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463250082 986219002 /nfs/dbraw/zinc/21/90/02/986219002.db2.gz YYFIWXTWYPOGCX-LPHOPBHVSA-N 2 1 406.979 3.886 20 0 HHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000463250082 986219020 /nfs/dbraw/zinc/21/90/20/986219020.db2.gz YYFIWXTWYPOGCX-LPHOPBHVSA-N 2 1 406.979 3.886 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(-c2csc(C)n2)c1 ZINC000463628881 986605083 /nfs/dbraw/zinc/60/50/83/986605083.db2.gz MFAJUVHAFAXBDJ-FQEVSTJZSA-N 2 1 400.592 3.607 20 0 HHADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3c3ccc(Cl)cc3)C[C@H]2C1 ZINC000468906087 986612860 /nfs/dbraw/zinc/61/28/60/986612860.db2.gz JRIQBPGEPAQOEC-SGKWCMOWSA-N 2 1 423.988 3.576 20 0 HHADMP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3c3ccc(Cl)cc3)C[C@H]2C1 ZINC000468906087 986612864 /nfs/dbraw/zinc/61/28/64/986612864.db2.gz JRIQBPGEPAQOEC-SGKWCMOWSA-N 2 1 423.988 3.576 20 0 HHADMP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3c3ccc(Cl)cc3)C[C@H]2C1 ZINC000468906087 986612869 /nfs/dbraw/zinc/61/28/69/986612869.db2.gz JRIQBPGEPAQOEC-SGKWCMOWSA-N 2 1 423.988 3.576 20 0 HHADMP CCOC(=O)c1csc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000468909438 986616469 /nfs/dbraw/zinc/61/64/69/986616469.db2.gz KCPVKCIGWHDUKQ-VAMGGRTRSA-N 2 1 413.587 3.753 20 0 HHADMP C[NH+](C)[C@H]1CCOc2c(NC(=O)c3cnn(-c4cc[nH+]cc4)c3C(F)F)cccc21 ZINC000469088559 986801543 /nfs/dbraw/zinc/80/15/43/986801543.db2.gz OZLRKHIPGKEYKS-KRWDZBQOSA-N 2 1 413.428 3.842 20 0 HHADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000469200303 986924098 /nfs/dbraw/zinc/92/40/98/986924098.db2.gz ZJFJWDDMRWUUGC-UHFFFAOYSA-N 2 1 411.550 3.850 20 0 HHADMP CC[N@H+]1CC[C@@H]([NH2+]CCSCCOc2cccc(Br)c2)[C@@H](C)C1 ZINC000469309740 987021972 /nfs/dbraw/zinc/02/19/72/987021972.db2.gz ZLOVZUOFURIAGC-MAUKXSAKSA-N 2 1 401.414 3.881 20 0 HHADMP O=C(NCC1CC[NH+](C2CC2)CC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000444966221 987098431 /nfs/dbraw/zinc/09/84/31/987098431.db2.gz KEPCUONSDJJTID-RUZDIDTESA-N 2 1 410.606 3.559 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000469756257 987409121 /nfs/dbraw/zinc/40/91/21/987409121.db2.gz GBHBJCHFDFULLM-WNBHKESASA-N 2 1 405.586 3.926 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000469756257 987409139 /nfs/dbraw/zinc/40/91/39/987409139.db2.gz GBHBJCHFDFULLM-WNBHKESASA-N 2 1 405.586 3.926 20 0 HHADMP Cc1cccc(NC(=O)NC(=O)C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000469775333 987425826 /nfs/dbraw/zinc/42/58/26/987425826.db2.gz KRUQHSAWVHPYRP-OALUTQOASA-N 2 1 422.573 3.698 20 0 HHADMP COC(=O)c1cc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc(C(=O)OC)c1 ZINC000469782017 987428566 /nfs/dbraw/zinc/42/85/66/987428566.db2.gz XSEMYKIKVVIAES-CYGODWOOSA-N 2 1 424.541 3.506 20 0 HHADMP COC(=O)c1cc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc(C(=O)OC)c1 ZINC000469782017 987428570 /nfs/dbraw/zinc/42/85/70/987428570.db2.gz XSEMYKIKVVIAES-CYGODWOOSA-N 2 1 424.541 3.506 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[S@](=O)c2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC000469787790 987433131 /nfs/dbraw/zinc/43/31/31/987433131.db2.gz RIFLGBOARPYGQL-HWIKTNENSA-N 2 1 421.434 3.828 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCCO3)[C@H](C)C1 ZINC000469788834 987433871 /nfs/dbraw/zinc/43/38/71/987433871.db2.gz CEQKYUZXWDFLTE-XLIONFOSSA-N 2 1 410.986 3.770 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)[C@H](C)C1 ZINC000469789604 987434510 /nfs/dbraw/zinc/43/45/10/987434510.db2.gz ZDBMTYHEPHUHSG-HDAAZOAOSA-N 2 1 415.578 3.725 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)[C@H](C)C1 ZINC000469789604 987434511 /nfs/dbraw/zinc/43/45/11/987434511.db2.gz ZDBMTYHEPHUHSG-HDAAZOAOSA-N 2 1 415.578 3.725 20 0 HHADMP C[N@H+](CCNC(=O)C1CC[NH+](Cc2cc(F)ccc2Cl)CC1)Cc1ccccc1 ZINC000445810470 987871178 /nfs/dbraw/zinc/87/11/78/987871178.db2.gz LIWBZEPAXGILRM-UHFFFAOYSA-N 2 1 417.956 3.939 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2cc(F)ccc2Cl)CC1)Cc1ccccc1 ZINC000445810470 987871188 /nfs/dbraw/zinc/87/11/88/987871188.db2.gz LIWBZEPAXGILRM-UHFFFAOYSA-N 2 1 417.956 3.939 20 0 HHADMP Nc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000470096013 987996843 /nfs/dbraw/zinc/99/68/43/987996843.db2.gz GGKQZSXTHPNOJW-CHWSQXEVSA-N 2 1 403.162 3.510 20 0 HHADMP Nc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000470096013 987996854 /nfs/dbraw/zinc/99/68/54/987996854.db2.gz GGKQZSXTHPNOJW-CHWSQXEVSA-N 2 1 403.162 3.510 20 0 HHADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470281507 988236635 /nfs/dbraw/zinc/23/66/35/988236635.db2.gz YJUKZMQLBHQPPF-RTBURBONSA-N 2 1 414.516 3.824 20 0 HHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000470732568 988764323 /nfs/dbraw/zinc/76/43/23/988764323.db2.gz JZMRRFJLRIDUEZ-XMMPIXPASA-N 2 1 412.622 3.936 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000470735565 988769872 /nfs/dbraw/zinc/76/98/72/988769872.db2.gz CEDQSJRHVMYMDN-IFMALSPDSA-N 2 1 412.622 3.792 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000470735565 988769879 /nfs/dbraw/zinc/76/98/79/988769879.db2.gz CEDQSJRHVMYMDN-IFMALSPDSA-N 2 1 412.622 3.792 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000470735565 988769887 /nfs/dbraw/zinc/76/98/87/988769887.db2.gz CEDQSJRHVMYMDN-IFMALSPDSA-N 2 1 412.622 3.792 20 0 HHADMP CN(C(=O)NCCC[NH+]1CCc2ccccc2C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470745802 988785720 /nfs/dbraw/zinc/78/57/20/988785720.db2.gz LZVLUUDHABLYKT-VWLOTQADSA-N 2 1 420.601 3.741 20 0 HHADMP CN(C(=O)NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470745802 988785730 /nfs/dbraw/zinc/78/57/30/988785730.db2.gz LZVLUUDHABLYKT-VWLOTQADSA-N 2 1 420.601 3.741 20 0 HHADMP CN(C(=O)NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470745802 988785738 /nfs/dbraw/zinc/78/57/38/988785738.db2.gz LZVLUUDHABLYKT-VWLOTQADSA-N 2 1 420.601 3.741 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)C1 ZINC000464953963 989249875 /nfs/dbraw/zinc/24/98/75/989249875.db2.gz QMILYXIWNXVWBC-REWPJTCUSA-N 2 1 400.611 3.696 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000464953963 989249885 /nfs/dbraw/zinc/24/98/85/989249885.db2.gz QMILYXIWNXVWBC-REWPJTCUSA-N 2 1 400.611 3.696 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000464953963 989249895 /nfs/dbraw/zinc/24/98/95/989249895.db2.gz QMILYXIWNXVWBC-REWPJTCUSA-N 2 1 400.611 3.696 20 0 HHADMP C[C@@H](c1cc(F)ccc1F)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000471232338 989377284 /nfs/dbraw/zinc/37/72/84/989377284.db2.gz WGKVHYOZTQFIFJ-SFHVURJKSA-N 2 1 415.528 3.986 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[NH+](CC(C)C)C1 ZINC000465076695 989396075 /nfs/dbraw/zinc/39/60/75/989396075.db2.gz FDYMLEIDPASGIC-XZOQPEGZSA-N 2 1 400.611 3.518 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000465076695 989396082 /nfs/dbraw/zinc/39/60/82/989396082.db2.gz FDYMLEIDPASGIC-XZOQPEGZSA-N 2 1 400.611 3.518 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000465076695 989396094 /nfs/dbraw/zinc/39/60/94/989396094.db2.gz FDYMLEIDPASGIC-XZOQPEGZSA-N 2 1 400.611 3.518 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000465211044 989560188 /nfs/dbraw/zinc/56/01/88/989560188.db2.gz OAUIXOURIFTMTH-FPOVZHCZSA-N 2 1 411.512 3.535 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465211044 989560195 /nfs/dbraw/zinc/56/01/95/989560195.db2.gz OAUIXOURIFTMTH-FPOVZHCZSA-N 2 1 411.512 3.535 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465211044 989560198 /nfs/dbraw/zinc/56/01/98/989560198.db2.gz OAUIXOURIFTMTH-FPOVZHCZSA-N 2 1 411.512 3.535 20 0 HHADMP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471509103 989707159 /nfs/dbraw/zinc/70/71/59/989707159.db2.gz ZBFKXVUNPNFPNA-NHCUHLMSSA-N 2 1 412.603 3.706 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000465425252 989769529 /nfs/dbraw/zinc/76/95/29/989769529.db2.gz BETLSWHVHASNNA-UXHICEINSA-N 2 1 406.640 3.894 20 0 HHADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471590924 989793907 /nfs/dbraw/zinc/79/39/07/989793907.db2.gz OSWWDDZKEAEEQD-XMMPIXPASA-N 2 1 406.574 3.604 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000471610993 989815805 /nfs/dbraw/zinc/81/58/05/989815805.db2.gz PBGCFISOSOGUCZ-DEOSSOPVSA-N 2 1 420.601 3.515 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000471616075 989820722 /nfs/dbraw/zinc/82/07/22/989820722.db2.gz BJEDAHHZPVXTNA-MQSCRBSSSA-N 2 1 400.611 3.566 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1cccc(OC)c1 ZINC000465491654 989839449 /nfs/dbraw/zinc/83/94/49/989839449.db2.gz VCKBLSUAHDTAHA-IRLDBZIGSA-N 2 1 404.599 3.594 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)c1cccc(OC)c1 ZINC000465502879 989852337 /nfs/dbraw/zinc/85/23/37/989852337.db2.gz RVMNAZMMRNDSKI-FUPPJEDESA-N 2 1 416.610 3.735 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000465521155 989873754 /nfs/dbraw/zinc/87/37/54/989873754.db2.gz AQIBECYJLLSFHN-WIYYLYMNSA-N 2 1 407.002 3.850 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000465532714 989893214 /nfs/dbraw/zinc/89/32/14/989893214.db2.gz VQEIAXQCRWBYRQ-FPOVZHCZSA-N 2 1 404.599 3.592 20 0 HHADMP CC(C)[C@H](CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000465552984 989916252 /nfs/dbraw/zinc/91/62/52/989916252.db2.gz ZVPPJTMBLYPORT-ZEQRLZLVSA-N 2 1 414.638 3.906 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000465557313 989921347 /nfs/dbraw/zinc/92/13/47/989921347.db2.gz GAMJRHFIXIVUHP-QFBILLFUSA-N 2 1 414.516 3.824 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)C1 ZINC000465579940 989950437 /nfs/dbraw/zinc/95/04/37/989950437.db2.gz PRIWCIRJDAAZGJ-OFNKIYASSA-N 2 1 400.611 3.792 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000465579940 989950442 /nfs/dbraw/zinc/95/04/42/989950442.db2.gz PRIWCIRJDAAZGJ-OFNKIYASSA-N 2 1 400.611 3.792 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000465579940 989950448 /nfs/dbraw/zinc/95/04/48/989950448.db2.gz PRIWCIRJDAAZGJ-OFNKIYASSA-N 2 1 400.611 3.792 20 0 HHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000465595630 989976005 /nfs/dbraw/zinc/97/60/05/989976005.db2.gz ITDFUMRAMVVSCH-UHFFFAOYSA-N 2 1 409.578 3.700 20 0 HHADMP Cc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000471805574 989988499 /nfs/dbraw/zinc/98/84/99/989988499.db2.gz SUCOQTKFCYDMKO-VXKWHMMOSA-N 2 1 410.562 3.546 20 0 HHADMP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000465632747 990018636 /nfs/dbraw/zinc/01/86/36/990018636.db2.gz LRFBXEJYDUHGFI-FQEVSTJZSA-N 2 1 412.578 3.975 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000465632747 990018653 /nfs/dbraw/zinc/01/86/53/990018653.db2.gz LRFBXEJYDUHGFI-FQEVSTJZSA-N 2 1 412.578 3.975 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000465632747 990018663 /nfs/dbraw/zinc/01/86/63/990018663.db2.gz LRFBXEJYDUHGFI-FQEVSTJZSA-N 2 1 412.578 3.975 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000465632747 990018671 /nfs/dbraw/zinc/01/86/71/990018671.db2.gz LRFBXEJYDUHGFI-FQEVSTJZSA-N 2 1 412.578 3.975 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[NH+]1CCCCC1 ZINC000465680879 990065543 /nfs/dbraw/zinc/06/55/43/990065543.db2.gz GALLJYHJHMMBSH-GFSYIJCISA-N 2 1 414.594 3.537 20 0 HHADMP CC1CC[NH+]([C@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c2ccccc2)CC1 ZINC000465711760 990097259 /nfs/dbraw/zinc/09/72/59/990097259.db2.gz GQLACGJOHPVKSC-XZOQPEGZSA-N 2 1 400.611 3.975 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000465724569 990110216 /nfs/dbraw/zinc/11/02/16/990110216.db2.gz SLUQUXJQJBJZPE-LOSJGSFVSA-N 2 1 422.617 3.713 20 0 HHADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000465724699 990110262 /nfs/dbraw/zinc/11/02/62/990110262.db2.gz NQINVCPYROKMRF-JAXLGGSGSA-N 2 1 414.619 3.603 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](CC(F)(F)F)c1ccccc1 ZINC000465730124 990115557 /nfs/dbraw/zinc/11/55/57/990115557.db2.gz YHAWLHFFCPUZQQ-RBUKOAKNSA-N 2 1 414.516 3.738 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccccc1C(F)(F)F ZINC000465740554 990126055 /nfs/dbraw/zinc/12/60/55/990126055.db2.gz GNWKTWYLGBJRPP-SJORKVTESA-N 2 1 414.516 3.824 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000465753818 990139987 /nfs/dbraw/zinc/13/99/87/990139987.db2.gz MBIGNFMGROPLCG-QZNHQXDQSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000465753818 990139991 /nfs/dbraw/zinc/13/99/91/990139991.db2.gz MBIGNFMGROPLCG-QZNHQXDQSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000465753818 990139998 /nfs/dbraw/zinc/13/99/98/990139998.db2.gz MBIGNFMGROPLCG-QZNHQXDQSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465757290 990143214 /nfs/dbraw/zinc/14/32/14/990143214.db2.gz OLBHPYFYDNSDLM-RBBKRZOGSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465757290 990143221 /nfs/dbraw/zinc/14/32/21/990143221.db2.gz OLBHPYFYDNSDLM-RBBKRZOGSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465757290 990143227 /nfs/dbraw/zinc/14/32/27/990143227.db2.gz OLBHPYFYDNSDLM-RBBKRZOGSA-N 2 1 400.611 3.660 20 0 HHADMP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000472015166 990184051 /nfs/dbraw/zinc/18/40/51/990184051.db2.gz ACOXUCBDSCMEEF-SZPZYZBQSA-N 2 1 410.606 3.557 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000465802921 990184808 /nfs/dbraw/zinc/18/48/08/990184808.db2.gz ACUDIURRAXXKJN-GGAORHGYSA-N 2 1 400.611 3.660 20 0 HHADMP CC[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000465866113 990978046 /nfs/dbraw/zinc/97/80/46/990978046.db2.gz JCQMGGRQXFUYDX-KRWDZBQOSA-N 2 1 413.393 3.741 20 0 HHADMP CC[N@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000465866113 990978055 /nfs/dbraw/zinc/97/80/55/990978055.db2.gz JCQMGGRQXFUYDX-KRWDZBQOSA-N 2 1 413.393 3.741 20 0 HHADMP C[C@@H](CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000465872574 990986647 /nfs/dbraw/zinc/98/66/47/990986647.db2.gz IJXIFDAXZCJOJU-XUZZJYLKSA-N 2 1 408.590 3.670 20 0 HHADMP C[C@@H](CNC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000465872574 990986657 /nfs/dbraw/zinc/98/66/57/990986657.db2.gz IJXIFDAXZCJOJU-XUZZJYLKSA-N 2 1 408.590 3.670 20 0 HHADMP C[C@@H](CNC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000465872574 990986667 /nfs/dbraw/zinc/98/66/67/990986667.db2.gz IJXIFDAXZCJOJU-XUZZJYLKSA-N 2 1 408.590 3.670 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000465890879 991016128 /nfs/dbraw/zinc/01/61/28/991016128.db2.gz AMTKZLZFRSRCAG-DHIUTWEWSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000465890879 991016140 /nfs/dbraw/zinc/01/61/40/991016140.db2.gz AMTKZLZFRSRCAG-DHIUTWEWSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000465890879 991016150 /nfs/dbraw/zinc/01/61/50/991016150.db2.gz AMTKZLZFRSRCAG-DHIUTWEWSA-N 2 1 400.611 3.660 20 0 HHADMP CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC)c1ccc(Cl)s1 ZINC000465939286 991076786 /nfs/dbraw/zinc/07/67/86/991076786.db2.gz RVBORJOETZLPGN-CVEARBPZSA-N 2 1 401.020 3.910 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N(C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)[nH+]1 ZINC000465993357 991156114 /nfs/dbraw/zinc/15/61/14/991156114.db2.gz XEIPUUQRXUJLGT-JOCHJYFZSA-N 2 1 421.589 3.522 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N(C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)[nH+]1 ZINC000465993357 991156118 /nfs/dbraw/zinc/15/61/18/991156118.db2.gz XEIPUUQRXUJLGT-JOCHJYFZSA-N 2 1 421.589 3.522 20 0 HHADMP C[N@H+]1CCC[C@@H](CNC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@H]1c1cccs1 ZINC000466078800 991253498 /nfs/dbraw/zinc/25/34/98/991253498.db2.gz OEQGDPXMERSYIM-RXVVDRJESA-N 2 1 404.624 3.791 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)[C@H]1c1cccs1 ZINC000466079039 991254877 /nfs/dbraw/zinc/25/48/77/991254877.db2.gz OHUJHMBPZSHIGI-DYXWJJEUSA-N 2 1 404.624 3.791 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000466137027 991318052 /nfs/dbraw/zinc/31/80/52/991318052.db2.gz GRRDXLRFEMUXGP-YKSBVNFPSA-N 2 1 406.574 3.613 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1F ZINC000466288700 991537267 /nfs/dbraw/zinc/53/72/67/991537267.db2.gz RMMYDVJWINAGKA-LAUBAEHRSA-N 2 1 421.520 3.782 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1F ZINC000466288700 991537279 /nfs/dbraw/zinc/53/72/79/991537279.db2.gz RMMYDVJWINAGKA-LAUBAEHRSA-N 2 1 421.520 3.782 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3cncc(Br)c3)cc2)C[C@H](C)O1 ZINC000466377252 991658617 /nfs/dbraw/zinc/65/86/17/991658617.db2.gz CQPXYZHIUBEBHJ-IYBDPMFKSA-N 2 1 404.352 3.743 20 0 HHADMP C[NH+](C)CCc1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000466783228 992090234 /nfs/dbraw/zinc/09/02/34/992090234.db2.gz UUJNQTWOJNYWPE-VXKWHMMOSA-N 2 1 414.981 3.689 20 0 HHADMP C[NH+](C)CCc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000466783228 992090245 /nfs/dbraw/zinc/09/02/45/992090245.db2.gz UUJNQTWOJNYWPE-VXKWHMMOSA-N 2 1 414.981 3.689 20 0 HHADMP C[C@H](NC(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000466796706 992103388 /nfs/dbraw/zinc/10/33/88/992103388.db2.gz RFBAWUKNMMPOAO-RDPSFJRHSA-N 2 1 408.590 3.501 20 0 HHADMP Fc1ccc(-n2nc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)c3c2CCC3)cc1 ZINC000467208176 992533045 /nfs/dbraw/zinc/53/30/45/992533045.db2.gz RLUGRXKETXOJCC-UHFFFAOYSA-N 2 1 412.553 3.577 20 0 HHADMP C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000467209728 992534475 /nfs/dbraw/zinc/53/44/75/992534475.db2.gz ZCXNBFGKBRBVDE-HNNXBMFYSA-N 2 1 414.377 3.897 20 0 HHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccnn1-c1ccccc1 ZINC000467314331 992636683 /nfs/dbraw/zinc/63/66/83/992636683.db2.gz UOTPHXMUKFBTMY-SQJMNOBHSA-N 2 1 403.574 3.902 20 0 HHADMP C[C@@H]1[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC(=O)N1Cc1ccccc1 ZINC000467436583 992733952 /nfs/dbraw/zinc/73/39/52/992733952.db2.gz XYINXXNTRBTZFM-VKZFYUIYSA-N 2 1 403.570 3.961 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccn(C2CCCCC2)n1 ZINC000472259125 993284467 /nfs/dbraw/zinc/28/44/67/993284467.db2.gz LUUDFNTXUJINAC-UHFFFAOYSA-N 2 1 415.626 3.657 20 0 HHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000472265896 993289158 /nfs/dbraw/zinc/28/91/58/993289158.db2.gz PAXUJOKFGWVFRP-OAHLLOKOSA-N 2 1 402.366 3.755 20 0 HHADMP C[NH+](C)CCN(CC1CCCCC1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472312495 993324449 /nfs/dbraw/zinc/32/44/49/993324449.db2.gz CLRMMNDNYVNLQC-QHCPKHFHSA-N 2 1 400.611 3.662 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472319219 993330438 /nfs/dbraw/zinc/33/04/38/993330438.db2.gz UHVNQOKJJACOEK-RPBOFIJWSA-N 2 1 420.601 3.672 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472319219 993330442 /nfs/dbraw/zinc/33/04/42/993330442.db2.gz UHVNQOKJJACOEK-RPBOFIJWSA-N 2 1 420.601 3.672 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472319219 993330450 /nfs/dbraw/zinc/33/04/50/993330450.db2.gz UHVNQOKJJACOEK-RPBOFIJWSA-N 2 1 420.601 3.672 20 0 HHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1 ZINC000472336027 993344440 /nfs/dbraw/zinc/34/44/40/993344440.db2.gz MCICTZYMVBSAEY-GOTSBHOMSA-N 2 1 410.562 3.974 20 0 HHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000480728550 993595904 /nfs/dbraw/zinc/59/59/04/993595904.db2.gz QHMHQCHGUOLFBD-ZCNNSNEGSA-N 2 1 404.562 3.991 20 0 HHADMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1)c1ccc2c(c1)OCCO2 ZINC000480737042 993603425 /nfs/dbraw/zinc/60/34/25/993603425.db2.gz IDTBYZSDEFESQK-QHCPKHFHSA-N 2 1 409.574 3.836 20 0 HHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000480764511 993629212 /nfs/dbraw/zinc/62/92/12/993629212.db2.gz BEXACOLVNUGCGP-LJQANCHMSA-N 2 1 410.400 3.670 20 0 HHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480769015 993633909 /nfs/dbraw/zinc/63/39/09/993633909.db2.gz HSYLNLIRTACIJN-RBUKOAKNSA-N 2 1 419.635 3.823 20 0 HHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480769015 993633913 /nfs/dbraw/zinc/63/39/13/993633913.db2.gz HSYLNLIRTACIJN-RBUKOAKNSA-N 2 1 419.635 3.823 20 0 HHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc(-n2cccn2)cc1 ZINC000480783429 993650784 /nfs/dbraw/zinc/65/07/84/993650784.db2.gz ZZYQYXLUMPCFBY-SQJMNOBHSA-N 2 1 403.574 3.902 20 0 HHADMP C[C@H]([NH2+]Cc1cn2cc(Br)ccc2n1)c1cccc(OCC[NH+](C)C)c1 ZINC000480899128 993756450 /nfs/dbraw/zinc/75/64/50/993756450.db2.gz OWWYYEXOBAOIFN-HNNXBMFYSA-N 2 1 417.351 3.888 20 0 HHADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000480903215 993759583 /nfs/dbraw/zinc/75/95/83/993759583.db2.gz STJVPQJFKHJMMY-QHCPKHFHSA-N 2 1 423.557 3.659 20 0 HHADMP Cc1cc([C@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)c(C)s1 ZINC000480907132 993763214 /nfs/dbraw/zinc/76/32/14/993763214.db2.gz ZAMWNVGNYTXIAW-KRWDZBQOSA-N 2 1 401.576 3.877 20 0 HHADMP C(=C/C[N@H+]1CC[C@]2(C1)OCc1ccccc12)\C[NH+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000473157784 994029240 /nfs/dbraw/zinc/02/92/40/994029240.db2.gz GLAGBFCIXIEDBZ-COTLFELJSA-N 2 1 402.538 3.805 20 0 HHADMP C(=C/C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12)\C[NH+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473157784 994029247 /nfs/dbraw/zinc/02/92/47/994029247.db2.gz GLAGBFCIXIEDBZ-COTLFELJSA-N 2 1 402.538 3.805 20 0 HHADMP C(=C/C[N@H+]1CC[C@@]2(C1)OCc1ccccc12)\C[NH+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473157784 994029259 /nfs/dbraw/zinc/02/92/59/994029259.db2.gz GLAGBFCIXIEDBZ-COTLFELJSA-N 2 1 402.538 3.805 20 0 HHADMP C[C@H](C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000473278560 994127441 /nfs/dbraw/zinc/12/74/41/994127441.db2.gz QTOGWYZLCGDAMS-HXUWFJFHSA-N 2 1 420.601 3.850 20 0 HHADMP C[C@H](C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000473278560 994127451 /nfs/dbraw/zinc/12/74/51/994127451.db2.gz QTOGWYZLCGDAMS-HXUWFJFHSA-N 2 1 420.601 3.850 20 0 HHADMP CC[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000473369653 994229915 /nfs/dbraw/zinc/22/99/15/994229915.db2.gz DPFWHXVUDNORLR-LOSJGSFVSA-N 2 1 421.585 3.692 20 0 HHADMP CC[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000473369653 994229927 /nfs/dbraw/zinc/22/99/27/994229927.db2.gz DPFWHXVUDNORLR-LOSJGSFVSA-N 2 1 421.585 3.692 20 0 HHADMP C[NH+](C)[C@@H](C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cccc(Cl)c1 ZINC000473519823 994374694 /nfs/dbraw/zinc/37/46/94/994374694.db2.gz MMMCVGBAANDPBX-DAWZGUTISA-N 2 1 417.903 3.864 20 0 HHADMP CC[C@H]([NH2+]CCC[NH+](C(C)C)C(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481677319 994537411 /nfs/dbraw/zinc/53/74/11/994537411.db2.gz ZOKJNVHJEGFVLD-SFHVURJKSA-N 2 1 404.020 3.798 20 0 HHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000481810026 994658893 /nfs/dbraw/zinc/65/88/93/994658893.db2.gz PEWXNSZAHWASKS-OAQYLSRUSA-N 2 1 401.580 3.614 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)c2)CC1 ZINC000473819245 994747000 /nfs/dbraw/zinc/74/70/00/994747000.db2.gz FXAQLOCHLZIFNI-NFBKMPQASA-N 2 1 421.589 3.613 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)N(C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2)CC1 ZINC000473829626 994761092 /nfs/dbraw/zinc/76/10/92/994761092.db2.gz MEGNZLYUACHFQS-XMMPIXPASA-N 2 1 421.589 3.567 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000481907029 994778803 /nfs/dbraw/zinc/77/88/03/994778803.db2.gz GRCXKAQINAAHDC-DQEYMECFSA-N 2 1 420.601 3.944 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000473878264 994823869 /nfs/dbraw/zinc/82/38/69/994823869.db2.gz SKARPONZOLAZKC-JDBUVZGPSA-N 2 1 408.590 3.745 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000473889073 994839138 /nfs/dbraw/zinc/83/91/38/994839138.db2.gz ZWQURZLICPTROC-SVPADUAOSA-N 2 1 414.638 3.954 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000473889073 994839146 /nfs/dbraw/zinc/83/91/46/994839146.db2.gz ZWQURZLICPTROC-SVPADUAOSA-N 2 1 414.638 3.954 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000473889073 994839153 /nfs/dbraw/zinc/83/91/53/994839153.db2.gz ZWQURZLICPTROC-SVPADUAOSA-N 2 1 414.638 3.954 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)N(CC)[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000474004300 994993359 /nfs/dbraw/zinc/99/33/59/994993359.db2.gz DWQSMMCUOXEMAB-NFBKMPQASA-N 2 1 400.611 3.975 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C(=O)N2CCSCC2)CC1 ZINC000482096851 995039254 /nfs/dbraw/zinc/03/92/54/995039254.db2.gz HSBIWUSBWTZSJX-SDXIKQIGSA-N 2 1 415.647 3.621 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C(=O)N2CCSCC2)CC1 ZINC000482096851 995039265 /nfs/dbraw/zinc/03/92/65/995039265.db2.gz HSBIWUSBWTZSJX-SDXIKQIGSA-N 2 1 415.647 3.621 20 0 HHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000482123785 995072188 /nfs/dbraw/zinc/07/21/88/995072188.db2.gz IHSOZUWFEBVAQW-IAGOWNOFSA-N 2 1 407.605 3.682 20 0 HHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000482123785 995072192 /nfs/dbraw/zinc/07/21/92/995072192.db2.gz IHSOZUWFEBVAQW-IAGOWNOFSA-N 2 1 407.605 3.682 20 0 HHADMP CC(=O)N1CC[NH+](CCOc2ccc(CC[NH2+][C@H](C)c3cc(C)ccc3C)cc2)CC1 ZINC000482237398 995220142 /nfs/dbraw/zinc/22/01/42/995220142.db2.gz BZHCPHNKQPKSGX-JOCHJYFZSA-N 2 1 423.601 3.740 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000482259340 995237624 /nfs/dbraw/zinc/23/76/24/995237624.db2.gz DMRTUQYDGCOXAP-LADGPHEKSA-N 2 1 412.622 3.803 20 0 HHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)C2)CC1 ZINC000474307918 995295611 /nfs/dbraw/zinc/29/56/11/995295611.db2.gz SVDAMXJTOMPDJG-JTHBVZDNSA-N 2 1 401.570 3.761 20 0 HHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccc(F)cc3)C2)CC1 ZINC000474307918 995295619 /nfs/dbraw/zinc/29/56/19/995295619.db2.gz SVDAMXJTOMPDJG-JTHBVZDNSA-N 2 1 401.570 3.761 20 0 HHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000482343655 995322557 /nfs/dbraw/zinc/32/25/57/995322557.db2.gz LSYWWTVFMGDGIH-SFHVURJKSA-N 2 1 401.576 3.529 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000474348737 995328151 /nfs/dbraw/zinc/32/81/51/995328151.db2.gz IEJNNWWEUKVSSF-SFHVURJKSA-N 2 1 424.427 3.887 20 0 HHADMP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000482353963 995334342 /nfs/dbraw/zinc/33/43/42/995334342.db2.gz QYPITLLVRJQTIF-GOSISDBHSA-N 2 1 400.636 3.967 20 0 HHADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000474365273 995344736 /nfs/dbraw/zinc/34/47/36/995344736.db2.gz ICPVUROVQBQMHH-KRWDZBQOSA-N 2 1 410.400 3.640 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000474365273 995344740 /nfs/dbraw/zinc/34/47/40/995344740.db2.gz ICPVUROVQBQMHH-KRWDZBQOSA-N 2 1 410.400 3.640 20 0 HHADMP C[N@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CC=CCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000474366946 995346786 /nfs/dbraw/zinc/34/67/86/995346786.db2.gz OQHNPUYYZRZBIE-AZUAARDMSA-N 2 1 424.511 3.649 20 0 HHADMP C[NH+]1CCC[C@@H](CNC(=O)NCC[N@H+]2CC=CCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000474366946 995346794 /nfs/dbraw/zinc/34/67/94/995346794.db2.gz OQHNPUYYZRZBIE-AZUAARDMSA-N 2 1 424.511 3.649 20 0 HHADMP C[NH+]1CCC[C@@H](CNC(=O)NCC[N@@H+]2CC=CCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000474366946 995346799 /nfs/dbraw/zinc/34/67/99/995346799.db2.gz OQHNPUYYZRZBIE-AZUAARDMSA-N 2 1 424.511 3.649 20 0 HHADMP C[C@H](c1ccc(NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000474429367 995392216 /nfs/dbraw/zinc/39/22/16/995392216.db2.gz FWMLGLZRMLDXKM-YCRNBWNJSA-N 2 1 410.562 3.893 20 0 HHADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1OC ZINC000474465938 995428307 /nfs/dbraw/zinc/42/83/07/995428307.db2.gz BAKSSMOTSMQNNH-VQTJNVASSA-N 2 1 411.590 3.733 20 0 HHADMP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c1)CCCO2 ZINC000482618794 995614648 /nfs/dbraw/zinc/61/46/48/995614648.db2.gz IBOYUYBWYKUUIX-GGAORHGYSA-N 2 1 407.558 3.696 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc(F)c(F)c(F)c1 ZINC000482620259 995616551 /nfs/dbraw/zinc/61/65/51/995616551.db2.gz OMXMCTUPMADBQY-YOEHRIQHSA-N 2 1 405.464 3.652 20 0 HHADMP CCc1nc(C)c([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)s1 ZINC000482634143 995628116 /nfs/dbraw/zinc/62/81/16/995628116.db2.gz ISQAOKKMCLXNFS-DNVCBOLYSA-N 2 1 400.592 3.562 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCSc4ccc(F)cc43)c2)C1 ZINC000482636038 995631032 /nfs/dbraw/zinc/63/10/32/995631032.db2.gz LIPGILONEZTONQ-WIYYLYMNSA-N 2 1 413.562 3.850 20 0 HHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000474717644 995655732 /nfs/dbraw/zinc/65/57/32/995655732.db2.gz FQIDMPNRYWTFPQ-HNNXBMFYSA-N 2 1 409.290 3.794 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)[C@H](C)C1 ZINC000482718473 995704725 /nfs/dbraw/zinc/70/47/25/995704725.db2.gz DEJNONSBDYGESA-FGZHOGPDSA-N 2 1 409.659 3.527 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)[C@@H](C)C1 ZINC000482718472 995704910 /nfs/dbraw/zinc/70/49/10/995704910.db2.gz DEJNONSBDYGESA-FCHUYYIVSA-N 2 1 409.659 3.527 20 0 HHADMP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474798346 995714409 /nfs/dbraw/zinc/71/44/09/995714409.db2.gz KMFMJCVOBXOGMS-SJORKVTESA-N 2 1 421.301 3.935 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)c2)CC1 ZINC000474833686 995738672 /nfs/dbraw/zinc/73/86/72/995738672.db2.gz SKTJVNDNUHVGPO-OAQYLSRUSA-N 2 1 424.564 3.818 20 0 HHADMP Cc1cccc(C[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C2CC2)c1 ZINC000482816976 995769174 /nfs/dbraw/zinc/76/91/74/995769174.db2.gz CTBBJDUDUHKNNC-LOSJGSFVSA-N 2 1 405.586 3.803 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000482837316 995782526 /nfs/dbraw/zinc/78/25/26/995782526.db2.gz JFLPRGGTXVSZRN-SGNDLWITSA-N 2 1 412.622 3.660 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000482837316 995782529 /nfs/dbraw/zinc/78/25/29/995782529.db2.gz JFLPRGGTXVSZRN-SGNDLWITSA-N 2 1 412.622 3.660 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000482837316 995782534 /nfs/dbraw/zinc/78/25/34/995782534.db2.gz JFLPRGGTXVSZRN-SGNDLWITSA-N 2 1 412.622 3.660 20 0 HHADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000474894733 995785332 /nfs/dbraw/zinc/78/53/32/995785332.db2.gz CYEPXLOQCMCHMO-QGZVFWFLSA-N 2 1 420.561 3.527 20 0 HHADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000474894733 995785338 /nfs/dbraw/zinc/78/53/38/995785338.db2.gz CYEPXLOQCMCHMO-QGZVFWFLSA-N 2 1 420.561 3.527 20 0 HHADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000474899422 995788157 /nfs/dbraw/zinc/78/81/57/995788157.db2.gz MSVJRQVOGURJKO-KRWDZBQOSA-N 2 1 420.561 3.527 20 0 HHADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000474899422 995788164 /nfs/dbraw/zinc/78/81/64/995788164.db2.gz MSVJRQVOGURJKO-KRWDZBQOSA-N 2 1 420.561 3.527 20 0 HHADMP CC[NH+](CC)CCOC1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000474980934 995843272 /nfs/dbraw/zinc/84/32/72/995843272.db2.gz MJCXDSDDKQQHJY-HSZRJFAPSA-N 2 1 419.585 3.530 20 0 HHADMP CC[NH+](CC)CCOC1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000474980934 995843277 /nfs/dbraw/zinc/84/32/77/995843277.db2.gz MJCXDSDDKQQHJY-HSZRJFAPSA-N 2 1 419.585 3.530 20 0 HHADMP CN(C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475012588 995868901 /nfs/dbraw/zinc/86/89/01/995868901.db2.gz IYIILISDXQUODU-RPWUZVMVSA-N 2 1 406.574 3.739 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000475114022 995930646 /nfs/dbraw/zinc/93/06/46/995930646.db2.gz VWHHHSVOFCBCDQ-FGZHOGPDSA-N 2 1 410.562 3.641 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1)c1ccccc1 ZINC000475137651 995946697 /nfs/dbraw/zinc/94/66/97/995946697.db2.gz KNRPTJMLCCKHIX-WIYYLYMNSA-N 2 1 424.520 3.565 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1)c1ccccc1 ZINC000475137651 995946700 /nfs/dbraw/zinc/94/67/00/995946700.db2.gz KNRPTJMLCCKHIX-WIYYLYMNSA-N 2 1 424.520 3.565 20 0 HHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000475138117 995946786 /nfs/dbraw/zinc/94/67/86/995946786.db2.gz MBZHKUCBDXBPPK-DEOSSOPVSA-N 2 1 408.590 3.944 20 0 HHADMP CN(C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475145054 995952240 /nfs/dbraw/zinc/95/22/40/995952240.db2.gz WDRORTXDVCOMGY-XMMPIXPASA-N 2 1 424.564 3.706 20 0 HHADMP CCN(C(=O)NC[C@@H]1CCC[NH+](CC(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475165242 995965188 /nfs/dbraw/zinc/96/51/88/995965188.db2.gz RBKFCPYAKGNJDD-GOTSBHOMSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475165242 995965194 /nfs/dbraw/zinc/96/51/94/995965194.db2.gz RBKFCPYAKGNJDD-GOTSBHOMSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475165242 995965199 /nfs/dbraw/zinc/96/51/99/995965199.db2.gz RBKFCPYAKGNJDD-GOTSBHOMSA-N 2 1 400.611 3.660 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475219637 996004738 /nfs/dbraw/zinc/00/47/38/996004738.db2.gz KRBLPWJGHIKSGO-XMMPIXPASA-N 2 1 409.578 3.669 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475219637 996004744 /nfs/dbraw/zinc/00/47/44/996004744.db2.gz KRBLPWJGHIKSGO-XMMPIXPASA-N 2 1 409.578 3.669 20 0 HHADMP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000475224629 996008006 /nfs/dbraw/zinc/00/80/06/996008006.db2.gz OOFSBVIFKWIGLL-AZUAARDMSA-N 2 1 411.546 3.533 20 0 HHADMP C[NH+]1CCC2(CC1)C[C@@H](NC(=O)[C@H]1CC[N@H+](C3CCCCC3)C1)c1ccccc1O2 ZINC000483221348 996045538 /nfs/dbraw/zinc/04/55/38/996045538.db2.gz ZIRUWPSNNDMYMM-SIKLNZKXSA-N 2 1 411.590 3.745 20 0 HHADMP O=C(NC1CC([NH+]2CCCCC2)C1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000475308632 996059770 /nfs/dbraw/zinc/05/97/70/996059770.db2.gz BLXRXHQXGLBAGQ-UBEQRZCFSA-N 2 1 410.606 3.699 20 0 HHADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000475388681 996106802 /nfs/dbraw/zinc/10/68/02/996106802.db2.gz KGYKRWBITCCXDN-UHFFFAOYSA-N 2 1 420.561 3.529 20 0 HHADMP COc1ccc(COC[C@H](O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000483487172 996212632 /nfs/dbraw/zinc/21/26/32/996212632.db2.gz AQPUNABPFBMSTO-MZKUHISZSA-N 2 1 424.585 3.559 20 0 HHADMP COc1ccc(COC[C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000483487172 996212637 /nfs/dbraw/zinc/21/26/37/996212637.db2.gz AQPUNABPFBMSTO-MZKUHISZSA-N 2 1 424.585 3.559 20 0 HHADMP COc1ccc(COC[C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000483487172 996212646 /nfs/dbraw/zinc/21/26/46/996212646.db2.gz AQPUNABPFBMSTO-MZKUHISZSA-N 2 1 424.585 3.559 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000483673114 996321133 /nfs/dbraw/zinc/32/11/33/996321133.db2.gz SGEIYXJTORKISG-QHCPKHFHSA-N 2 1 400.611 3.660 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(Br)cc2N2CCOCC2)C[C@@H]1C ZINC000475725906 996325731 /nfs/dbraw/zinc/32/57/31/996325731.db2.gz PXPAJMGPTACJNW-LPHOPBHVSA-N 2 1 410.400 3.590 20 0 HHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Br)cc2N2CCOCC2)C[C@@H]1C ZINC000475725906 996325742 /nfs/dbraw/zinc/32/57/42/996325742.db2.gz PXPAJMGPTACJNW-LPHOPBHVSA-N 2 1 410.400 3.590 20 0 HHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Br)cc2N2CCOCC2)C[C@@H]1C ZINC000475725906 996325744 /nfs/dbraw/zinc/32/57/44/996325744.db2.gz PXPAJMGPTACJNW-LPHOPBHVSA-N 2 1 410.400 3.590 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C[C@@H]1C ZINC000483708516 996341207 /nfs/dbraw/zinc/34/12/07/996341207.db2.gz JMUJBIWNROVUDG-UWJYYQICSA-N 2 1 407.002 3.819 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC000483711353 996343349 /nfs/dbraw/zinc/34/33/49/996343349.db2.gz NOUKQDYMCJUKKT-QTEQDKRBSA-N 2 1 400.611 3.933 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC000483711353 996343356 /nfs/dbraw/zinc/34/33/56/996343356.db2.gz NOUKQDYMCJUKKT-QTEQDKRBSA-N 2 1 400.611 3.933 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC000483711353 996343363 /nfs/dbraw/zinc/34/33/63/996343363.db2.gz NOUKQDYMCJUKKT-QTEQDKRBSA-N 2 1 400.611 3.933 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)C[C@H]1C ZINC000483715970 996346410 /nfs/dbraw/zinc/34/64/10/996346410.db2.gz XXQKKXICNDYPBF-VIZSFHNOSA-N 2 1 400.611 3.933 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C[C@H]1C ZINC000483715970 996346416 /nfs/dbraw/zinc/34/64/16/996346416.db2.gz XXQKKXICNDYPBF-VIZSFHNOSA-N 2 1 400.611 3.933 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C[C@H]1C ZINC000483715970 996346422 /nfs/dbraw/zinc/34/64/22/996346422.db2.gz XXQKKXICNDYPBF-VIZSFHNOSA-N 2 1 400.611 3.933 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccc(-n2cnnn2)cc1 ZINC000483731578 996355207 /nfs/dbraw/zinc/35/52/07/996355207.db2.gz SNXZFVJLBHNANT-GOSISDBHSA-N 2 1 402.502 3.738 20 0 HHADMP C[N@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@H]1c1cccs1 ZINC000483801229 996396440 /nfs/dbraw/zinc/39/64/40/996396440.db2.gz DRVNICZJLLMURP-UWJYYQICSA-N 2 1 404.624 3.837 20 0 HHADMP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000483921766 996470157 /nfs/dbraw/zinc/47/01/57/996470157.db2.gz BYZUHPGPLFPTED-SIKLNZKXSA-N 2 1 402.583 3.712 20 0 HHADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000483921766 996470161 /nfs/dbraw/zinc/47/01/61/996470161.db2.gz BYZUHPGPLFPTED-SIKLNZKXSA-N 2 1 402.583 3.712 20 0 HHADMP COc1cccc([C@H]2[C@H](NC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC[N@H+]2C2CC2)c1 ZINC000483972875 996499409 /nfs/dbraw/zinc/49/94/09/996499409.db2.gz IWEVXTSBBZESON-RTWAWAEBSA-N 2 1 414.594 3.581 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000476036809 996558395 /nfs/dbraw/zinc/55/83/95/996558395.db2.gz VJPVMUCSUTXIFV-QFIPXVFZSA-N 2 1 411.594 3.744 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000476036809 996558399 /nfs/dbraw/zinc/55/83/99/996558399.db2.gz VJPVMUCSUTXIFV-QFIPXVFZSA-N 2 1 411.594 3.744 20 0 HHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(NC(=O)NC(C)C)cc3)CC2)nc(C)[nH+]1 ZINC000484283279 996678047 /nfs/dbraw/zinc/67/80/47/996678047.db2.gz ZBYHMEOVWAGRGR-KRWDZBQOSA-N 2 1 410.566 3.943 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000476569633 997066646 /nfs/dbraw/zinc/06/66/46/997066646.db2.gz IPCCNSNHLYWSOI-RUZDIDTESA-N 2 1 420.601 3.861 20 0 HHADMP COc1cccc(Cl)c1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000485140783 997524939 /nfs/dbraw/zinc/52/49/39/997524939.db2.gz YHYXOPYXLMPEFI-UHFFFAOYSA-N 2 1 407.986 3.617 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)N2CCc3sccc3C2)CC1 ZINC000476982748 997606061 /nfs/dbraw/zinc/60/60/61/997606061.db2.gz JQXDXFSEAFXXAF-LJQANCHMSA-N 2 1 403.636 3.999 20 0 HHADMP O[C@H](COCc1cccs1)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485482257 997934932 /nfs/dbraw/zinc/93/49/32/997934932.db2.gz SCSSUXBWJUKUKD-NRFANRHFSA-N 2 1 400.588 3.614 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000477265315 997941235 /nfs/dbraw/zinc/94/12/35/997941235.db2.gz KEEUUZJLRJXYQD-NHYNNZIHSA-N 2 1 410.606 3.842 20 0 HHADMP CC(C)(C)CC[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000477314090 998002257 /nfs/dbraw/zinc/00/22/57/998002257.db2.gz LWLROXSZPCKXNO-NOTZXAQLSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2ncsc2c1 ZINC000485824297 998291170 /nfs/dbraw/zinc/29/11/70/998291170.db2.gz BZZYBVOHBOMZHF-FUHIMQAGSA-N 2 1 408.571 3.726 20 0 HHADMP C[C@H]([NH2+][C@@H](C)c1ccc2ncsc2c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485824303 998291219 /nfs/dbraw/zinc/29/12/19/998291219.db2.gz BZZYBVOHBOMZHF-ZWOKBUDYSA-N 2 1 408.571 3.726 20 0 HHADMP O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000477724838 998453285 /nfs/dbraw/zinc/45/32/85/998453285.db2.gz ZEBAXQFAOFWYGR-RUZDIDTESA-N 2 1 421.585 3.884 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000486104466 998552274 /nfs/dbraw/zinc/55/22/74/998552274.db2.gz AZLHHBICELNYFP-GMAHTHKFSA-N 2 1 410.562 3.537 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000486104466 998552280 /nfs/dbraw/zinc/55/22/80/998552280.db2.gz AZLHHBICELNYFP-GMAHTHKFSA-N 2 1 410.562 3.537 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000486104466 998552287 /nfs/dbraw/zinc/55/22/87/998552287.db2.gz AZLHHBICELNYFP-GMAHTHKFSA-N 2 1 410.562 3.537 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000486104466 998552299 /nfs/dbraw/zinc/55/22/99/998552299.db2.gz AZLHHBICELNYFP-GMAHTHKFSA-N 2 1 410.562 3.537 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000478035081 998726511 /nfs/dbraw/zinc/72/65/11/998726511.db2.gz CWJIIKUUPZUHFD-MJGOQNOKSA-N 2 1 403.533 3.764 20 0 HHADMP Cc1nc(COc2ccc(C[NH2+][C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)no1 ZINC000486567136 998830388 /nfs/dbraw/zinc/83/03/88/998830388.db2.gz PBFAVNPNZAIKAQ-AVRDEDQJSA-N 2 1 406.530 3.957 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000478417095 998946825 /nfs/dbraw/zinc/94/68/25/998946825.db2.gz MWJIANMKEUBMAE-UHFFFAOYSA-N 2 1 400.611 3.662 20 0 HHADMP C[C@@H](NC(=O)NCCCCC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486964352 999020300 /nfs/dbraw/zinc/02/03/00/999020300.db2.gz KBPIRQLNOAWNLC-FYYLOGMGSA-N 2 1 400.611 3.852 20 0 HHADMP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000478791385 999142587 /nfs/dbraw/zinc/14/25/87/999142587.db2.gz DJGSAJDEQWJWAT-OFNKIYASSA-N 2 1 424.589 3.604 20 0 HHADMP C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000478903665 999202909 /nfs/dbraw/zinc/20/29/09/999202909.db2.gz XOWYINBJOGNBGP-BWKNWUBXSA-N 2 1 420.601 3.656 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000479063691 999275922 /nfs/dbraw/zinc/27/59/22/999275922.db2.gz PVNBFMFQHBYCHH-RBUKOAKNSA-N 2 1 403.592 3.512 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000479063691 999275929 /nfs/dbraw/zinc/27/59/29/999275929.db2.gz PVNBFMFQHBYCHH-RBUKOAKNSA-N 2 1 403.592 3.512 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000479073163 999280769 /nfs/dbraw/zinc/28/07/69/999280769.db2.gz DCIOBAJCDDCGSM-IPJJNNNSSA-N 2 1 415.603 3.512 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000479073163 999280771 /nfs/dbraw/zinc/28/07/71/999280771.db2.gz DCIOBAJCDDCGSM-IPJJNNNSSA-N 2 1 415.603 3.512 20 0 HHADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000487881069 999302834 /nfs/dbraw/zinc/30/28/34/999302834.db2.gz NPQRPBQPGIKRIV-WTNAPCKOSA-N 2 1 422.564 3.766 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000487881069 999302837 /nfs/dbraw/zinc/30/28/37/999302837.db2.gz NPQRPBQPGIKRIV-WTNAPCKOSA-N 2 1 422.564 3.766 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000487881069 999302841 /nfs/dbraw/zinc/30/28/41/999302841.db2.gz NPQRPBQPGIKRIV-WTNAPCKOSA-N 2 1 422.564 3.766 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000487881069 999302844 /nfs/dbraw/zinc/30/28/44/999302844.db2.gz NPQRPBQPGIKRIV-WTNAPCKOSA-N 2 1 422.564 3.766 20 0 HHADMP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000488182924 999405497 /nfs/dbraw/zinc/40/54/97/999405497.db2.gz LQNGHUNUQJJQLL-VWLOTQADSA-N 2 1 406.574 3.652 20 0 HHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000479437263 999416981 /nfs/dbraw/zinc/41/69/81/999416981.db2.gz LRSXEWIUQVLWJF-ISKFKSNPSA-N 2 1 402.542 3.606 20 0 HHADMP COc1c(Br)cccc1C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000479439189 999418255 /nfs/dbraw/zinc/41/82/55/999418255.db2.gz PCPOQHYZPUZURW-UHFFFAOYSA-N 2 1 405.340 3.623 20 0 HHADMP COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000479444519 999420438 /nfs/dbraw/zinc/42/04/38/999420438.db2.gz IWGQFRLOIUTYRB-QPPBQGQZSA-N 2 1 405.546 3.530 20 0 HHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1OCC(=O)N(C)C ZINC000479467639 999430133 /nfs/dbraw/zinc/43/01/33/999430133.db2.gz WGSLIKXTTAGDKC-GMAHTHKFSA-N 2 1 409.574 3.716 20 0 HHADMP C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488616183 999547007 /nfs/dbraw/zinc/54/70/07/999547007.db2.gz VNQOTIZBEQVCCO-DHLKQENFSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@H](NC(=O)N1CCC[NH+](Cc2ccccc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488616183 999547010 /nfs/dbraw/zinc/54/70/10/999547010.db2.gz VNQOTIZBEQVCCO-DHLKQENFSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@H](NC(=O)N1CCC[NH+](Cc2ccccc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488616183 999547013 /nfs/dbraw/zinc/54/70/13/999547013.db2.gz VNQOTIZBEQVCCO-DHLKQENFSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488642414 999555343 /nfs/dbraw/zinc/55/53/43/999555343.db2.gz IUMAXZVUQRAWBX-RBBKRZOGSA-N 2 1 412.622 3.993 20 0 HHADMP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479858990 999627330 /nfs/dbraw/zinc/62/73/30/999627330.db2.gz IPXWBIYKXYPDPF-GOSISDBHSA-N 2 1 401.576 3.763 20 0 HHADMP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)ccc1OC(F)F ZINC000479875471 999632962 /nfs/dbraw/zinc/63/29/62/999632962.db2.gz QRIWLDYVZNTOAT-INIZCTEOSA-N 2 1 406.473 3.980 20 0 HHADMP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)N2CCOCC2)cc1 ZINC000480075195 999710333 /nfs/dbraw/zinc/71/03/33/999710333.db2.gz ZQXPIMOTGGFBKN-BYXVTNLJSA-N 2 1 423.601 3.569 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000480084138 999712585 /nfs/dbraw/zinc/71/25/85/999712585.db2.gz JBCHWHGXEIDUHI-YNJKOYDBSA-N 2 1 411.565 3.699 20 0 HHADMP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000489327209 999746077 /nfs/dbraw/zinc/74/60/77/999746077.db2.gz KTBKZNJZENYBLK-DNRQZRRGSA-N 2 1 420.601 3.643 20 0 HHADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000489327209 999746079 /nfs/dbraw/zinc/74/60/79/999746079.db2.gz KTBKZNJZENYBLK-DNRQZRRGSA-N 2 1 420.601 3.643 20 0 HHADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000489327209 999746081 /nfs/dbraw/zinc/74/60/81/999746081.db2.gz KTBKZNJZENYBLK-DNRQZRRGSA-N 2 1 420.601 3.643 20 0 HHADMP CC[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccccc1OCC(=O)N(C)C ZINC000480238127 999753304 /nfs/dbraw/zinc/75/33/04/999753304.db2.gz AGQBHOMQJQDDSY-QHCPKHFHSA-N 2 1 409.574 3.643 20 0 HHADMP CC[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccccc1OCC(=O)N(C)C ZINC000480238127 999753306 /nfs/dbraw/zinc/75/33/06/999753306.db2.gz AGQBHOMQJQDDSY-QHCPKHFHSA-N 2 1 409.574 3.643 20 0 HHADMP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000480239435 999753852 /nfs/dbraw/zinc/75/38/52/999753852.db2.gz HEROFEFLSHPEJG-GOSISDBHSA-N 2 1 401.576 3.547 20 0 HHADMP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000480239435 999753854 /nfs/dbraw/zinc/75/38/54/999753854.db2.gz HEROFEFLSHPEJG-GOSISDBHSA-N 2 1 401.576 3.547 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000489528181 999784765 /nfs/dbraw/zinc/78/47/65/999784765.db2.gz HGMBSHLVSRGCFK-JTHBVZDNSA-N 2 1 400.611 3.852 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000489534019 999786156 /nfs/dbraw/zinc/78/61/56/999786156.db2.gz NJYFLSUNSJJFII-NFBKMPQASA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000480599988 999837665 /nfs/dbraw/zinc/83/76/65/999837665.db2.gz FEUVWWOOLXHNMC-HSALFYBXSA-N 2 1 407.624 3.635 20 0 HHADMP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)cn2)C[C@@H](C)O1 ZINC000480610460 999840084 /nfs/dbraw/zinc/84/00/84/999840084.db2.gz JBXGLJXHPLELGM-FBHSLPMESA-N 2 1 408.590 3.695 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000490019897 999878919 /nfs/dbraw/zinc/87/89/19/999878919.db2.gz LAENDSOUDRSYSJ-SQJMNOBHSA-N 2 1 420.601 3.732 20 0 HHADMP COc1cccc([C@@H]2[C@H](NC(=O)NCc3cccc(C[NH+](C)C)c3)CC[N@H+]2C2CC2)c1 ZINC000490088280 999891329 /nfs/dbraw/zinc/89/13/29/999891329.db2.gz LAHZFEUWHXIBSN-DNQXCXABSA-N 2 1 422.573 3.534 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000490256225 999923068 /nfs/dbraw/zinc/92/30/68/999923068.db2.gz XFVWMXDMCTUUSM-OFNKIYASSA-N 2 1 424.589 3.652 20 0 HHADMP C[C@H]1C[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490633351 999986905 /nfs/dbraw/zinc/98/69/05/999986905.db2.gz ZYCJXLRBTBLPHQ-RXVVDRJESA-N 2 1 413.528 3.822 20 0 HHADMP C[C@@H]1C[N@@H+](CC/C=C\c2ccc(Br)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490649361 999988749 /nfs/dbraw/zinc/98/87/49/999988749.db2.gz OKUFADQPFMBPBV-ZVCGFHAZSA-N 2 1 406.412 3.810 20 0 HHADMP COc1ccccc1-c1ncc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cn1 ZINC000490791287 1000006593 /nfs/dbraw/zinc/00/65/93/1000006593.db2.gz DGCAMTNPVHEAIL-IBGZPJMESA-N 2 1 418.541 3.663 20 0 HHADMP COc1ccccc1-c1ncc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cn1 ZINC000490791287 1000006596 /nfs/dbraw/zinc/00/65/96/1000006596.db2.gz DGCAMTNPVHEAIL-IBGZPJMESA-N 2 1 418.541 3.663 20 0 HHADMP C[C@@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000490954897 1000027188 /nfs/dbraw/zinc/02/71/88/1000027188.db2.gz ODRRMVVCACAERE-OALUTQOASA-N 2 1 404.624 3.520 20 0 HHADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C[C@@H](C)C1 ZINC000490987271 1000030673 /nfs/dbraw/zinc/03/06/73/1000030673.db2.gz JECUWBIRVDRUDJ-KKSHJYNMSA-N 2 1 412.622 3.659 20 0 HHADMP C[C@@H]1C[C@H]1[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C[C@@H](C)C1 ZINC000490987271 1000030675 /nfs/dbraw/zinc/03/06/75/1000030675.db2.gz JECUWBIRVDRUDJ-KKSHJYNMSA-N 2 1 412.622 3.659 20 0 HHADMP C[C@@H]1C[C@H]1[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C[C@@H](C)C1 ZINC000490987271 1000030679 /nfs/dbraw/zinc/03/06/79/1000030679.db2.gz JECUWBIRVDRUDJ-KKSHJYNMSA-N 2 1 412.622 3.659 20 0 HHADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000491024359 1000035316 /nfs/dbraw/zinc/03/53/16/1000035316.db2.gz XDBQTPSKSWXUNU-TYBLODHISA-N 2 1 420.601 3.958 20 0 HHADMP CC[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccc(F)cn1 ZINC000491054175 1000039700 /nfs/dbraw/zinc/03/97/00/1000039700.db2.gz QCQPXIOZLQVTJE-QFIPXVFZSA-N 2 1 401.526 3.951 20 0 HHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3coc(-c4ccc(F)c(F)c4)n3)CC2)C[C@H](C)O1 ZINC000491055185 1000039835 /nfs/dbraw/zinc/03/98/35/1000039835.db2.gz FUXYYNYDBMVXER-HOTGVXAUSA-N 2 1 405.489 3.941 20 0 HHADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)C1 ZINC000491057506 1000040236 /nfs/dbraw/zinc/04/02/36/1000040236.db2.gz FNVVUQUPOURKNZ-TZIWHRDSSA-N 2 1 417.500 3.554 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)C1 ZINC000491057506 1000040238 /nfs/dbraw/zinc/04/02/38/1000040238.db2.gz FNVVUQUPOURKNZ-TZIWHRDSSA-N 2 1 417.500 3.554 20 0 HHADMP Cn1cc([C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c2cccc(F)c2)cn1 ZINC000492226492 1000116346 /nfs/dbraw/zinc/11/63/46/1000116346.db2.gz VWARPLPRVHNVTG-DEOSSOPVSA-N 2 1 408.521 3.913 20 0 HHADMP C[C@@H]1[C@H](NC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000492426255 1000126632 /nfs/dbraw/zinc/12/66/32/1000126632.db2.gz UZDOIIVCVZGAHK-IEZKXTBUSA-N 2 1 420.601 3.513 20 0 HHADMP C[C@@H]1[C@H](NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000492426255 1000126633 /nfs/dbraw/zinc/12/66/33/1000126633.db2.gz UZDOIIVCVZGAHK-IEZKXTBUSA-N 2 1 420.601 3.513 20 0 HHADMP C[C@@H]1[C@H](NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000492426255 1000126634 /nfs/dbraw/zinc/12/66/34/1000126634.db2.gz UZDOIIVCVZGAHK-IEZKXTBUSA-N 2 1 420.601 3.513 20 0 HHADMP C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000492578704 1000133349 /nfs/dbraw/zinc/13/33/49/1000133349.db2.gz IEUVMCREKNTGDZ-SSPYTLHUSA-N 2 1 408.590 3.542 20 0 HHADMP CC[NH+](CC)CCSCC(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000494135213 1000324407 /nfs/dbraw/zinc/32/44/07/1000324407.db2.gz XAMPCSAYZZPMMQ-FPOVZHCZSA-N 2 1 413.578 3.680 20 0 HHADMP CC[NH+](CC)CCSCC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000494135213 1000324412 /nfs/dbraw/zinc/32/44/12/1000324412.db2.gz XAMPCSAYZZPMMQ-FPOVZHCZSA-N 2 1 413.578 3.680 20 0 HHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000504868683 1000415004 /nfs/dbraw/zinc/41/50/04/1000415004.db2.gz HRQXXLXWBCCCOK-HXUWFJFHSA-N 2 1 424.589 3.976 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504883675 1000426393 /nfs/dbraw/zinc/42/63/93/1000426393.db2.gz WBTZRJIFCWMAQG-BJKOFHAPSA-N 2 1 406.574 3.787 20 0 HHADMP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504883914 1000426407 /nfs/dbraw/zinc/42/64/07/1000426407.db2.gz XFNMDPBWOMOLNT-LEWJYISDSA-N 2 1 412.603 3.849 20 0 HHADMP C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000504914010 1000445218 /nfs/dbraw/zinc/44/52/18/1000445218.db2.gz JFCJYTUMPJNEAQ-FQEVSTJZSA-N 2 1 406.574 3.528 20 0 HHADMP C[C@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[N@@H+]1CCc2sccc2C1 ZINC000504983190 1000487878 /nfs/dbraw/zinc/48/78/78/1000487878.db2.gz OCJQZRRANOWBJM-NQIIRXRSSA-N 2 1 412.603 3.631 20 0 HHADMP C[C@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[N@H+]1CCc2sccc2C1 ZINC000504983190 1000487884 /nfs/dbraw/zinc/48/78/84/1000487884.db2.gz OCJQZRRANOWBJM-NQIIRXRSSA-N 2 1 412.603 3.631 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000505760283 1001009981 /nfs/dbraw/zinc/00/99/81/1001009981.db2.gz OPYGIXAKKOAVGT-HSALFYBXSA-N 2 1 411.512 3.683 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000506173925 1001259944 /nfs/dbraw/zinc/25/99/44/1001259944.db2.gz OCUMHNPHCXELBT-INIZCTEOSA-N 2 1 422.545 3.576 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000506302882 1001341499 /nfs/dbraw/zinc/34/14/99/1001341499.db2.gz XJUXDRPLBFVHKO-FYYLOGMGSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497562296 1001436537 /nfs/dbraw/zinc/43/65/37/1001436537.db2.gz YFPGZAASGRKQJZ-NRFANRHFSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000497614450 1001459374 /nfs/dbraw/zinc/45/93/74/1001459374.db2.gz VZOGTBVZOALAJJ-OFVILXPXSA-N 2 1 420.601 3.780 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000497614450 1001459375 /nfs/dbraw/zinc/45/93/75/1001459375.db2.gz VZOGTBVZOALAJJ-OFVILXPXSA-N 2 1 420.601 3.780 20 0 HHADMP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)CC1 ZINC000506662377 1001486860 /nfs/dbraw/zinc/48/68/60/1001486860.db2.gz MGIDBEDWURAZBF-UHFFFAOYSA-N 2 1 401.558 3.994 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000506922912 1001595377 /nfs/dbraw/zinc/59/53/77/1001595377.db2.gz QTKZHQCAZLSBHJ-JRFVFWCSSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000506922912 1001595383 /nfs/dbraw/zinc/59/53/83/1001595383.db2.gz QTKZHQCAZLSBHJ-JRFVFWCSSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000506922912 1001595389 /nfs/dbraw/zinc/59/53/89/1001595389.db2.gz QTKZHQCAZLSBHJ-JRFVFWCSSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+]1CCc2sccc2C1 ZINC000506935710 1001602496 /nfs/dbraw/zinc/60/24/96/1001602496.db2.gz SYPXKDLRRDVNKX-VAMGGRTRSA-N 2 1 418.651 3.791 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+]1CCc2sccc2C1 ZINC000506935710 1001602500 /nfs/dbraw/zinc/60/25/00/1001602500.db2.gz SYPXKDLRRDVNKX-VAMGGRTRSA-N 2 1 418.651 3.791 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)[N@@H+]1CCc2sccc2C1 ZINC000506935710 1001602504 /nfs/dbraw/zinc/60/25/04/1001602504.db2.gz SYPXKDLRRDVNKX-VAMGGRTRSA-N 2 1 418.651 3.791 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)[N@H+]1CCc2sccc2C1 ZINC000506935710 1001602507 /nfs/dbraw/zinc/60/25/07/1001602507.db2.gz SYPXKDLRRDVNKX-VAMGGRTRSA-N 2 1 418.651 3.791 20 0 HHADMP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000498126618 1001653036 /nfs/dbraw/zinc/65/30/36/1001653036.db2.gz KZOFLSFLAPEVFQ-XUZZJYLKSA-N 2 1 406.574 3.651 20 0 HHADMP CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c2cccs2)CC1 ZINC000498129001 1001653794 /nfs/dbraw/zinc/65/37/94/1001653794.db2.gz XWSNDZCNSOGXDG-VAMGGRTRSA-N 2 1 404.624 3.647 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]4C[NH+](C)CC[C@H]43)cc2)C1 ZINC000498155335 1001667019 /nfs/dbraw/zinc/66/70/19/1001667019.db2.gz INTWGSHFZYZSSE-WNXIRNOKSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)cc2)C1 ZINC000498155335 1001667022 /nfs/dbraw/zinc/66/70/22/1001667022.db2.gz INTWGSHFZYZSSE-WNXIRNOKSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)cc2)C1 ZINC000498155335 1001667026 /nfs/dbraw/zinc/66/70/26/1001667026.db2.gz INTWGSHFZYZSSE-WNXIRNOKSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000506948626 1001722740 /nfs/dbraw/zinc/72/27/40/1001722740.db2.gz HAINXUGGQMDBSZ-WOIUINJBSA-N 2 1 404.574 3.724 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc(Cc2ccc(C)cc2)n1 ZINC000507290630 1001974235 /nfs/dbraw/zinc/97/42/35/1001974235.db2.gz SLEPEOULCBAHIR-HXUWFJFHSA-N 2 1 414.619 3.530 20 0 HHADMP CC(C)[NH+]1CCC([N@@H+](C)CCCOc2cccc(I)c2)CC1 ZINC000507364648 1002025073 /nfs/dbraw/zinc/02/50/73/1002025073.db2.gz WNGGHODQDCKMHC-UHFFFAOYSA-N 2 1 416.347 3.865 20 0 HHADMP CC[N@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000507390222 1002043869 /nfs/dbraw/zinc/04/38/69/1002043869.db2.gz KGZFBEWUXYNQRT-HXUWFJFHSA-N 2 1 400.611 3.982 20 0 HHADMP CC[NH+]1CCC[C@H](CNC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000507390222 1002043877 /nfs/dbraw/zinc/04/38/77/1002043877.db2.gz KGZFBEWUXYNQRT-HXUWFJFHSA-N 2 1 400.611 3.982 20 0 HHADMP CC[NH+]1CCC[C@H](CNC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000507390222 1002043889 /nfs/dbraw/zinc/04/38/89/1002043889.db2.gz KGZFBEWUXYNQRT-HXUWFJFHSA-N 2 1 400.611 3.982 20 0 HHADMP O=C1C[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CN1Cc1ccccc1 ZINC000507457372 1002081949 /nfs/dbraw/zinc/08/19/49/1002081949.db2.gz BHIYBSLPXXPGNY-WSOYEBOPSA-N 2 1 403.570 3.535 20 0 HHADMP O=C(CCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N1CCc2ccccc21 ZINC000507464069 1002086425 /nfs/dbraw/zinc/08/64/25/1002086425.db2.gz WJDXICYALWVVHJ-RBZQAINGSA-N 2 1 403.570 3.856 20 0 HHADMP O=C(CCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)N1CCc2ccccc21 ZINC000507464070 1002086564 /nfs/dbraw/zinc/08/65/64/1002086564.db2.gz WJDXICYALWVVHJ-TZRRMPRUSA-N 2 1 403.570 3.856 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]Cc4ccnc(OC5CCOCC5)c4)[C@H]3C2)cc1 ZINC000507511198 1002121151 /nfs/dbraw/zinc/12/11/51/1002121151.db2.gz OBWKRNYSDGLELH-XWGVYQGASA-N 2 1 407.558 3.640 20 0 HHADMP COC1CCN(C2(C[NH2+][C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)CCCC2)CC1 ZINC000507537423 1002145754 /nfs/dbraw/zinc/14/57/54/1002145754.db2.gz YBGIBMONPAOFFR-PZUNEJSGSA-N 2 1 411.634 3.910 20 0 HHADMP COC1CC[NH+](C2(CN[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)CCCC2)CC1 ZINC000507537423 1002145745 /nfs/dbraw/zinc/14/57/45/1002145745.db2.gz YBGIBMONPAOFFR-PZUNEJSGSA-N 2 1 411.634 3.910 20 0 HHADMP COC1CCN(C2(C[NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)CCCC2)CC1 ZINC000507537423 1002145765 /nfs/dbraw/zinc/14/57/65/1002145765.db2.gz YBGIBMONPAOFFR-PZUNEJSGSA-N 2 1 411.634 3.910 20 0 HHADMP Cc1cccc(C)c1OCC[N@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000498827482 1002211741 /nfs/dbraw/zinc/21/17/41/1002211741.db2.gz YPCFUCQJQXWYQX-HSZRJFAPSA-N 2 1 408.590 3.611 20 0 HHADMP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000498896805 1002287644 /nfs/dbraw/zinc/28/76/44/1002287644.db2.gz ORBQPLAGRIHWMV-FYYLOGMGSA-N 2 1 400.611 3.947 20 0 HHADMP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000499102911 1002494133 /nfs/dbraw/zinc/49/41/33/1002494133.db2.gz RWWPEEVHFFMJDR-GMAHTHKFSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000499104560 1002496713 /nfs/dbraw/zinc/49/67/13/1002496713.db2.gz WYBXKEBBJSQKNG-YSZBQJHXSA-N 2 1 412.553 3.638 20 0 HHADMP CC(C)[N@@H+]1CCc2nc(NC(=O)[C@@H]3C[NH+](C(C)(C)C)C[C@H]3C(F)(F)F)sc2C1 ZINC000499118628 1002506621 /nfs/dbraw/zinc/50/66/21/1002506621.db2.gz USJYEOPKWFFCHO-CHWSQXEVSA-N 2 1 418.529 3.757 20 0 HHADMP CC(C)[N@H+]1CCc2nc(NC(=O)[C@@H]3C[NH+](C(C)(C)C)C[C@H]3C(F)(F)F)sc2C1 ZINC000499118628 1002506633 /nfs/dbraw/zinc/50/66/33/1002506633.db2.gz USJYEOPKWFFCHO-CHWSQXEVSA-N 2 1 418.529 3.757 20 0 HHADMP CC(C)[NH+]1CCc2nc(NC(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3C(F)(F)F)sc2C1 ZINC000499118628 1002506644 /nfs/dbraw/zinc/50/66/44/1002506644.db2.gz USJYEOPKWFFCHO-CHWSQXEVSA-N 2 1 418.529 3.757 20 0 HHADMP CC(C)[NH+]1CCc2nc(NC(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3C(F)(F)F)sc2C1 ZINC000499118628 1002506655 /nfs/dbraw/zinc/50/66/55/1002506655.db2.gz USJYEOPKWFFCHO-CHWSQXEVSA-N 2 1 418.529 3.757 20 0 HHADMP O=C(CC(F)(F)F)N1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000499148221 1002531779 /nfs/dbraw/zinc/53/17/79/1002531779.db2.gz CHTBIKVOXLMIOR-ACDBMABISA-N 2 1 409.496 3.715 20 0 HHADMP O=C1C[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CN1Cc1ccccc1 ZINC000499187962 1002577144 /nfs/dbraw/zinc/57/71/44/1002577144.db2.gz FPZKALXSGSWIDJ-OJJQZRKESA-N 2 1 403.570 3.820 20 0 HHADMP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)nc2)C1 ZINC000499188874 1002579116 /nfs/dbraw/zinc/57/91/16/1002579116.db2.gz IXBGGYMSCGMVAN-JTOYRKQZSA-N 2 1 405.590 3.829 20 0 HHADMP COc1ccc(CN2CC[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2=O)cc1 ZINC000499216799 1002601018 /nfs/dbraw/zinc/60/10/18/1002601018.db2.gz TVYRKDSNIKWQRW-UCKMRUJXSA-N 2 1 419.569 3.581 20 0 HHADMP COc1ccc(CN2CC[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2=O)cc1 ZINC000499216799 1002601027 /nfs/dbraw/zinc/60/10/27/1002601027.db2.gz TVYRKDSNIKWQRW-UCKMRUJXSA-N 2 1 419.569 3.581 20 0 HHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000499236401 1002626802 /nfs/dbraw/zinc/62/68/02/1002626802.db2.gz XRDAJOYBKRMABH-UIPNDDLNSA-N 2 1 419.613 3.655 20 0 HHADMP OC[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499236401 1002626809 /nfs/dbraw/zinc/62/68/09/1002626809.db2.gz XRDAJOYBKRMABH-UIPNDDLNSA-N 2 1 419.613 3.655 20 0 HHADMP OC[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499236401 1002626815 /nfs/dbraw/zinc/62/68/15/1002626815.db2.gz XRDAJOYBKRMABH-UIPNDDLNSA-N 2 1 419.613 3.655 20 0 HHADMP OC[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499236401 1002626822 /nfs/dbraw/zinc/62/68/22/1002626822.db2.gz XRDAJOYBKRMABH-UIPNDDLNSA-N 2 1 419.613 3.655 20 0 HHADMP OC[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499236401 1002626827 /nfs/dbraw/zinc/62/68/27/1002626827.db2.gz XRDAJOYBKRMABH-UIPNDDLNSA-N 2 1 419.613 3.655 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000499514773 1002903507 /nfs/dbraw/zinc/90/35/07/1002903507.db2.gz ROCXVPRGORIHKV-GOSISDBHSA-N 2 1 421.010 3.952 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508712115 1003151036 /nfs/dbraw/zinc/15/10/36/1003151036.db2.gz BTVJRJDYHWOEBH-GFADGAFCSA-N 2 1 413.512 3.737 20 0 HHADMP C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722346 1003163167 /nfs/dbraw/zinc/16/31/67/1003163167.db2.gz SCBSUDPQPJYUAW-OYRHQHFDSA-N 2 1 406.618 3.697 20 0 HHADMP c1ncn(Cc2ccccc2C[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000508730268 1003170126 /nfs/dbraw/zinc/17/01/26/1003170126.db2.gz OCJQYWRVAWRNRP-SDHOMARFSA-N 2 1 401.558 3.717 20 0 HHADMP C[NH+](C)C1(CNC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000508770432 1003201704 /nfs/dbraw/zinc/20/17/04/1003201704.db2.gz OYUORAYOLMOYJU-NRFANRHFSA-N 2 1 411.512 3.822 20 0 HHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1)[NH+](C)C ZINC000508869096 1003289393 /nfs/dbraw/zinc/28/93/93/1003289393.db2.gz GXBAGDVHSZGDLS-CVDCTZTESA-N 2 1 410.562 3.943 20 0 HHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)CCC[N@@H+](C)Cc1ccco1)[NH+](C)C ZINC000508870115 1003290902 /nfs/dbraw/zinc/29/09/02/1003290902.db2.gz KQWLJAFLZGJYEH-UGKGYDQZSA-N 2 1 400.567 3.743 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000508899234 1003332072 /nfs/dbraw/zinc/33/20/72/1003332072.db2.gz SZNXJERRRNROKK-IFMALSPDSA-N 2 1 419.491 3.860 20 0 HHADMP C[C@H](NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508906766 1003344887 /nfs/dbraw/zinc/34/48/87/1003344887.db2.gz OHENNLFGMQDVDK-SRUXOGRHSA-N 2 1 400.611 3.974 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000500093261 1003453203 /nfs/dbraw/zinc/45/32/03/1003453203.db2.gz ZCHYVUNWZVHOML-GOSISDBHSA-N 2 1 400.394 3.863 20 0 HHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21)c1ccc(Cl)cc1 ZINC000509021454 1003493675 /nfs/dbraw/zinc/49/36/75/1003493675.db2.gz HVGVBRFKUTXKMU-SESVDKBCSA-N 2 1 407.002 3.849 20 0 HHADMP CCC[NH+](C)[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1ccc(Cl)cc1 ZINC000509021454 1003493679 /nfs/dbraw/zinc/49/36/79/1003493679.db2.gz HVGVBRFKUTXKMU-SESVDKBCSA-N 2 1 407.002 3.849 20 0 HHADMP CCC[NH+](C)[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)c1ccc(Cl)cc1 ZINC000509021454 1003493685 /nfs/dbraw/zinc/49/36/85/1003493685.db2.gz HVGVBRFKUTXKMU-SESVDKBCSA-N 2 1 407.002 3.849 20 0 HHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000509021524 1003493697 /nfs/dbraw/zinc/49/36/97/1003493697.db2.gz IEFJVGHUIUZQMA-NRFANRHFSA-N 2 1 407.002 3.993 20 0 HHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000509030064 1003500850 /nfs/dbraw/zinc/50/08/50/1003500850.db2.gz HHDAYWVVWWSMQI-WIYYLYMNSA-N 2 1 407.002 3.850 20 0 HHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1 ZINC000509039296 1003509310 /nfs/dbraw/zinc/50/93/10/1003509310.db2.gz PMFJMJFLIUTAAG-HLAWJBBLSA-N 2 1 407.002 3.849 20 0 HHADMP CCC[NH+](C)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC000509039296 1003509325 /nfs/dbraw/zinc/50/93/25/1003509325.db2.gz PMFJMJFLIUTAAG-HLAWJBBLSA-N 2 1 407.002 3.849 20 0 HHADMP CCC[NH+](C)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC000509039296 1003509317 /nfs/dbraw/zinc/50/93/17/1003509317.db2.gz PMFJMJFLIUTAAG-HLAWJBBLSA-N 2 1 407.002 3.849 20 0 HHADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000500422807 1003707699 /nfs/dbraw/zinc/70/76/99/1003707699.db2.gz HPZKATNNSSLKHC-DEOSSOPVSA-N 2 1 424.564 3.950 20 0 HHADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000500422807 1003707709 /nfs/dbraw/zinc/70/77/09/1003707709.db2.gz HPZKATNNSSLKHC-DEOSSOPVSA-N 2 1 424.564 3.950 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)cc2)C1 ZINC000500646684 1003859787 /nfs/dbraw/zinc/85/97/87/1003859787.db2.gz QKBPRZATHCQMEH-ZFGGDYGUSA-N 2 1 412.622 3.934 20 0 HHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000509594408 1003968351 /nfs/dbraw/zinc/96/83/51/1003968351.db2.gz FDGJDCUMBYRMJH-NNWRFLSQSA-N 2 1 412.578 3.872 20 0 HHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+]C(C)(C)COCc2ccccc2)CC1 ZINC000500813205 1003974329 /nfs/dbraw/zinc/97/43/29/1003974329.db2.gz FLZOYJNBZJENCM-UHFFFAOYSA-N 2 1 423.601 3.614 20 0 HHADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000500835344 1003990666 /nfs/dbraw/zinc/99/06/66/1003990666.db2.gz UNEJNKQOYUKAPU-QHCPKHFHSA-N 2 1 421.589 3.604 20 0 HHADMP C[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000500839011 1003993517 /nfs/dbraw/zinc/99/35/17/1003993517.db2.gz CIHYPQPOFPCLDD-IRXDYDNUSA-N 2 1 401.501 3.785 20 0 HHADMP CC(C)[NH+]1CCN(CCC[NH+]2CCN(C3c4ccccc4-c4ccccc43)CC2)CC1 ZINC000501018926 1004121787 /nfs/dbraw/zinc/12/17/87/1004121787.db2.gz AKLKLPRHQRYBCU-UHFFFAOYSA-N 2 1 418.629 3.790 20 0 HHADMP Cc1ccc2nc(NC(=O)C[N@@H+](C)CC3CCN(c4cc[nH+]cc4)CC3)sc2c1 ZINC000501020999 1004124010 /nfs/dbraw/zinc/12/40/10/1004124010.db2.gz FBZCINVEQDYLAN-UHFFFAOYSA-N 2 1 409.559 3.787 20 0 HHADMP COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501044609 1004145608 /nfs/dbraw/zinc/14/56/08/1004145608.db2.gz HCBKPUCCCAFRBW-UHFFFAOYSA-N 2 1 416.953 3.839 20 0 HHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)CC1 ZINC000512267579 1004168591 /nfs/dbraw/zinc/16/85/91/1004168591.db2.gz XZBHSWOVRLKZKC-UHFFFAOYSA-N 2 1 400.592 3.853 20 0 HHADMP COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501068863 1004171116 /nfs/dbraw/zinc/17/11/16/1004171116.db2.gz NJZCVNPWZCXZJG-UHFFFAOYSA-N 2 1 416.953 3.921 20 0 HHADMP Cc1cc(F)ccc1N1CCC[C@H]([N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000501070741 1004173775 /nfs/dbraw/zinc/17/37/75/1004173775.db2.gz UMJURJKSVUMCCF-QHCPKHFHSA-N 2 1 410.537 3.873 20 0 HHADMP CC(C)[C@@H](NC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000501074367 1004177743 /nfs/dbraw/zinc/17/77/43/1004177743.db2.gz HDOYLBAXYMKFKJ-XMMPIXPASA-N 2 1 412.553 3.882 20 0 HHADMP CCC[N@H+](CC(=O)N(C)[C@H](C)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512279303 1004180493 /nfs/dbraw/zinc/18/04/93/1004180493.db2.gz MEHWVOXXKVSDMT-HXUWFJFHSA-N 2 1 423.605 3.994 20 0 HHADMP CCC[N@@H+](CC(=O)N(C)[C@H](C)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512279303 1004180496 /nfs/dbraw/zinc/18/04/96/1004180496.db2.gz MEHWVOXXKVSDMT-HXUWFJFHSA-N 2 1 423.605 3.994 20 0 HHADMP CCC[N@H+](CC(=O)Nc1ccc(C)cc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512280536 1004182317 /nfs/dbraw/zinc/18/23/17/1004182317.db2.gz IKCIPMUKDRREGJ-UHFFFAOYSA-N 2 1 413.541 3.860 20 0 HHADMP CCC[N@@H+](CC(=O)Nc1ccc(C)cc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512280536 1004182320 /nfs/dbraw/zinc/18/23/20/1004182320.db2.gz IKCIPMUKDRREGJ-UHFFFAOYSA-N 2 1 413.541 3.860 20 0 HHADMP CCC[N@H+](CC(=O)N(CC)Cc1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512282556 1004184316 /nfs/dbraw/zinc/18/43/16/1004184316.db2.gz VZEAQIVYUOZJHV-UHFFFAOYSA-N 2 1 423.605 3.823 20 0 HHADMP CCC[N@@H+](CC(=O)N(CC)Cc1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512282556 1004184323 /nfs/dbraw/zinc/18/43/23/1004184323.db2.gz VZEAQIVYUOZJHV-UHFFFAOYSA-N 2 1 423.605 3.823 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000501114027 1004214060 /nfs/dbraw/zinc/21/40/60/1004214060.db2.gz VWRSWVVWYHZDFH-SZPZYZBQSA-N 2 1 420.601 3.929 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000501114027 1004214066 /nfs/dbraw/zinc/21/40/66/1004214066.db2.gz VWRSWVVWYHZDFH-SZPZYZBQSA-N 2 1 420.601 3.929 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)NCC[C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512392999 1004266389 /nfs/dbraw/zinc/26/63/89/1004266389.db2.gz NADIQTUIHRCFGW-GMAHTHKFSA-N 2 1 421.589 3.522 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)NCC[C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512392999 1004266401 /nfs/dbraw/zinc/26/64/01/1004266401.db2.gz NADIQTUIHRCFGW-GMAHTHKFSA-N 2 1 421.589 3.522 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000512402965 1004273377 /nfs/dbraw/zinc/27/33/77/1004273377.db2.gz BCDUYDFVQKISHX-SKWRMQMOSA-N 2 1 400.611 3.659 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000512402965 1004273385 /nfs/dbraw/zinc/27/33/85/1004273385.db2.gz BCDUYDFVQKISHX-SKWRMQMOSA-N 2 1 400.611 3.659 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000512402965 1004273396 /nfs/dbraw/zinc/27/33/96/1004273396.db2.gz BCDUYDFVQKISHX-SKWRMQMOSA-N 2 1 400.611 3.659 20 0 HHADMP COC(=O)c1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc(C(=O)OC)c1 ZINC000501203807 1004277181 /nfs/dbraw/zinc/27/71/81/1004277181.db2.gz IHQTXFVLASSRLY-UHFFFAOYSA-N 2 1 424.541 3.604 20 0 HHADMP O=C(NCC[N@H+]1CCc2ccccc2C1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000501236442 1004303312 /nfs/dbraw/zinc/30/33/12/1004303312.db2.gz REOGHVXDWNFPNG-UHFFFAOYSA-N 2 1 406.574 3.530 20 0 HHADMP COc1cc(-c2ccccc2)ccc1C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000512454567 1004314669 /nfs/dbraw/zinc/31/46/69/1004314669.db2.gz UQEKEWXHPROUHP-UHFFFAOYSA-N 2 1 417.553 3.943 20 0 HHADMP CC[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000501328679 1004351546 /nfs/dbraw/zinc/35/15/46/1004351546.db2.gz LXCVRYXYPXRSSR-XMMPIXPASA-N 2 1 408.590 3.597 20 0 HHADMP C[C@@H](NC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000501363433 1004368590 /nfs/dbraw/zinc/36/85/90/1004368590.db2.gz OYYQOQXUWOFVGB-KZTDQWPFSA-N 2 1 408.590 3.888 20 0 HHADMP CC[C@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000501376570 1004376117 /nfs/dbraw/zinc/37/61/17/1004376117.db2.gz GWUOMOGDXZIKHJ-NFBKMPQASA-N 2 1 400.611 3.777 20 0 HHADMP CC[C@H](CNC(=O)NCCCC[NH+]1CCCC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000501376570 1004376129 /nfs/dbraw/zinc/37/61/29/1004376129.db2.gz GWUOMOGDXZIKHJ-NFBKMPQASA-N 2 1 400.611 3.777 20 0 HHADMP CC[C@H](CNC(=O)NCCCC[NH+]1CCCC[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000501376570 1004376138 /nfs/dbraw/zinc/37/61/38/1004376138.db2.gz GWUOMOGDXZIKHJ-NFBKMPQASA-N 2 1 400.611 3.777 20 0 HHADMP C[C@H](NC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501401999 1004393874 /nfs/dbraw/zinc/39/38/74/1004393874.db2.gz GTWPZCPIOAISMM-QTGUNEKASA-N 2 1 412.553 3.638 20 0 HHADMP C[C@@H]1C[C@H](CCNc2ncnc3c2cnn3-c2cc[nH+]cc2)C[N@@H+]1Cc1ccccc1 ZINC000512585175 1004401883 /nfs/dbraw/zinc/40/18/83/1004401883.db2.gz BMKHMCNDHGNBFS-QUCCMNQESA-N 2 1 413.529 3.923 20 0 HHADMP C[C@@H]1C[C@H](CCNc2ncnc3c2cnn3-c2cc[nH+]cc2)C[N@H+]1Cc1ccccc1 ZINC000512585175 1004401888 /nfs/dbraw/zinc/40/18/88/1004401888.db2.gz BMKHMCNDHGNBFS-QUCCMNQESA-N 2 1 413.529 3.923 20 0 HHADMP C[C@H]1C[C@H](CCNc2ncnc3c2cnn3-c2cc[nH+]cc2)C[N@@H+]1Cc1ccccc1 ZINC000512585174 1004402075 /nfs/dbraw/zinc/40/20/75/1004402075.db2.gz BMKHMCNDHGNBFS-ICSRJNTNSA-N 2 1 413.529 3.923 20 0 HHADMP C[C@H]1C[C@H](CCNc2ncnc3c2cnn3-c2cc[nH+]cc2)C[N@H+]1Cc1ccccc1 ZINC000512585174 1004402082 /nfs/dbraw/zinc/40/20/82/1004402082.db2.gz BMKHMCNDHGNBFS-ICSRJNTNSA-N 2 1 413.529 3.923 20 0 HHADMP CCC[N@H+](CC(=O)N[C@H](C)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510238332 1004415837 /nfs/dbraw/zinc/41/58/37/1004415837.db2.gz DFUHOWBOOFAREM-LJQANCHMSA-N 2 1 409.578 3.652 20 0 HHADMP CCC[N@@H+](CC(=O)N[C@H](C)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510238332 1004415841 /nfs/dbraw/zinc/41/58/41/1004415841.db2.gz DFUHOWBOOFAREM-LJQANCHMSA-N 2 1 409.578 3.652 20 0 HHADMP O=C(NCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccc1Cl ZINC000512621627 1004435433 /nfs/dbraw/zinc/43/54/33/1004435433.db2.gz ZXMBMPZFAXLRMX-KJXAQDMKSA-N 2 1 411.977 3.960 20 0 HHADMP CCNC(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512632348 1004444445 /nfs/dbraw/zinc/44/44/45/1004444445.db2.gz ZKYVQZCEJDHNRV-ICDZXHCJSA-N 2 1 421.585 3.592 20 0 HHADMP c1ncn(Cc2ccc(C[NH2+][C@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)cc2)n1 ZINC000512646766 1004457900 /nfs/dbraw/zinc/45/79/00/1004457900.db2.gz CYLLCBQCUGMHRY-SDHOMARFSA-N 2 1 401.558 3.717 20 0 HHADMP CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512648999 1004459993 /nfs/dbraw/zinc/45/99/93/1004459993.db2.gz PXGXUMGCMRXXMB-NQHRYMMQSA-N 2 1 407.558 3.914 20 0 HHADMP CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512648994 1004460067 /nfs/dbraw/zinc/46/00/67/1004460067.db2.gz PXGXUMGCMRXXMB-FTBPSBKWSA-N 2 1 407.558 3.914 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCC[C@H](C)C1 ZINC000501499768 1004469309 /nfs/dbraw/zinc/46/93/09/1004469309.db2.gz CCQIGYGUOOSZIJ-OALUTQOASA-N 2 1 407.002 3.678 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCC[C@H](C)C1 ZINC000501499768 1004469321 /nfs/dbraw/zinc/46/93/21/1004469321.db2.gz CCQIGYGUOOSZIJ-OALUTQOASA-N 2 1 407.002 3.678 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000501499768 1004469327 /nfs/dbraw/zinc/46/93/27/1004469327.db2.gz CCQIGYGUOOSZIJ-OALUTQOASA-N 2 1 407.002 3.678 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000501499768 1004469334 /nfs/dbraw/zinc/46/93/34/1004469334.db2.gz CCQIGYGUOOSZIJ-OALUTQOASA-N 2 1 407.002 3.678 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000510324712 1004482085 /nfs/dbraw/zinc/48/20/85/1004482085.db2.gz RMHNGVPETMNCSV-REWPJTCUSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)NC2CCC(C[NH+](C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000510343704 1004495220 /nfs/dbraw/zinc/49/52/20/1004495220.db2.gz UEROMQHZDDSMPU-DNJQPREOSA-N 2 1 400.611 3.707 20 0 HHADMP C[C@H]1C[C@@H](CCNC(=O)NC2CCC(C[NH+](C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000510343705 1004495393 /nfs/dbraw/zinc/49/53/93/1004495393.db2.gz UEROMQHZDDSMPU-IDJJCAIYSA-N 2 1 400.611 3.707 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C[C@@H]1C ZINC000512800965 1004566996 /nfs/dbraw/zinc/56/69/96/1004566996.db2.gz BTKPRNKNLZFQSG-RCZSKKKRSA-N 2 1 404.599 3.591 20 0 HHADMP COCC[N@@H+](C)CCCC1CCN(C(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)CC1 ZINC000501646289 1004573579 /nfs/dbraw/zinc/57/35/79/1004573579.db2.gz KMNZNXAWLOVMPU-XMMPIXPASA-N 2 1 415.622 3.638 20 0 HHADMP COCC[NH+](C)CCCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000501646289 1004573585 /nfs/dbraw/zinc/57/35/85/1004573585.db2.gz KMNZNXAWLOVMPU-XMMPIXPASA-N 2 1 415.622 3.638 20 0 HHADMP COCC[NH+](C)CCCC1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000501646289 1004573589 /nfs/dbraw/zinc/57/35/89/1004573589.db2.gz KMNZNXAWLOVMPU-XMMPIXPASA-N 2 1 415.622 3.638 20 0 HHADMP C[C@H](c1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1)[NH+]1CCOCC1 ZINC000512829510 1004587350 /nfs/dbraw/zinc/58/73/50/1004587350.db2.gz VBQFLYTVFHEYDD-ZVDOUQERSA-N 2 1 414.594 3.854 20 0 HHADMP C[C@H](c1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1)[NH+]1CCOCC1 ZINC000512829510 1004587360 /nfs/dbraw/zinc/58/73/60/1004587360.db2.gz VBQFLYTVFHEYDD-ZVDOUQERSA-N 2 1 414.594 3.854 20 0 HHADMP CC[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCc2ccccc2C1 ZINC000510501534 1004622116 /nfs/dbraw/zinc/62/21/16/1004622116.db2.gz MGVGQQNGPGGRMV-KJXAQDMKSA-N 2 1 412.622 3.776 20 0 HHADMP CC[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000510501534 1004622122 /nfs/dbraw/zinc/62/21/22/1004622122.db2.gz MGVGQQNGPGGRMV-KJXAQDMKSA-N 2 1 412.622 3.776 20 0 HHADMP CC[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000510501534 1004622127 /nfs/dbraw/zinc/62/21/27/1004622127.db2.gz MGVGQQNGPGGRMV-KJXAQDMKSA-N 2 1 412.622 3.776 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000510505358 1004627972 /nfs/dbraw/zinc/62/79/72/1004627972.db2.gz XFBGITCANFEBNH-IFMALSPDSA-N 2 1 412.622 3.912 20 0 HHADMP CC(C)Oc1ccc([C@H](CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)[NH+](C)C)cc1 ZINC000512902218 1004670850 /nfs/dbraw/zinc/67/08/50/1004670850.db2.gz MXZGZKNUZURFDL-QHCPKHFHSA-N 2 1 416.610 3.736 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000501793317 1004736453 /nfs/dbraw/zinc/73/64/53/1004736453.db2.gz VJFSJHFMJYJWMS-RRVLBIQBSA-N 2 1 419.654 3.530 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000501813620 1004752854 /nfs/dbraw/zinc/75/28/54/1004752854.db2.gz PIPXZHGXIWUFOF-UHFFFAOYSA-N 2 1 406.958 3.960 20 0 HHADMP C[C@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000501830772 1004763963 /nfs/dbraw/zinc/76/39/63/1004763963.db2.gz ODIWQABZLMIRAX-WIYYLYMNSA-N 2 1 412.603 3.631 20 0 HHADMP C[C@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000501830772 1004763969 /nfs/dbraw/zinc/76/39/69/1004763969.db2.gz ODIWQABZLMIRAX-WIYYLYMNSA-N 2 1 412.603 3.631 20 0 HHADMP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000513056216 1004782871 /nfs/dbraw/zinc/78/28/71/1004782871.db2.gz FMRLSJCSCKXDNN-CVDCTZTESA-N 2 1 421.651 3.848 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCc1ccc(F)cc1F ZINC000501924856 1004813386 /nfs/dbraw/zinc/81/33/86/1004813386.db2.gz WGJIIRGPVXFZBW-UHFFFAOYSA-N 2 1 407.549 3.552 20 0 HHADMP CCC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000502105650 1004905335 /nfs/dbraw/zinc/90/53/35/1004905335.db2.gz BXUDACJRMZXCAP-BGYRXZFFSA-N 2 1 400.611 3.838 20 0 HHADMP CCC[NH+]1CCC(NC(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000502116157 1004909672 /nfs/dbraw/zinc/90/96/72/1004909672.db2.gz CRGULDGPNKGTMH-BGYRXZFFSA-N 2 1 400.611 3.838 20 0 HHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4cccc(Br)c4)o3)C2)CC1 ZINC000513460796 1004976610 /nfs/dbraw/zinc/97/66/10/1004976610.db2.gz IDFPWVFKLDIUBA-IBGZPJMESA-N 2 1 418.379 3.921 20 0 HHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H](Cc3ccccn3)c3cccnc3)c2)CCO1 ZINC000513539510 1005012715 /nfs/dbraw/zinc/01/27/15/1005012715.db2.gz QQQWYIVUSMPHLH-NLFFAJNJSA-N 2 1 402.542 3.771 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H](Cc3ccccn3)c3cccnc3)c2)CCO1 ZINC000513539510 1005012722 /nfs/dbraw/zinc/01/27/22/1005012722.db2.gz QQQWYIVUSMPHLH-NLFFAJNJSA-N 2 1 402.542 3.771 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(SC(C)C)cc3)CC2)CC1 ZINC000511116685 1005026166 /nfs/dbraw/zinc/02/61/66/1005026166.db2.gz RNCOMXMMVTVWBN-UHFFFAOYSA-N 2 1 403.636 3.953 20 0 HHADMP COc1ccccc1-c1ccc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000513661148 1005071422 /nfs/dbraw/zinc/07/14/22/1005071422.db2.gz NBCGQGYBZUTLRH-UHFFFAOYSA-N 2 1 421.585 3.738 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(-c4ccc(F)cc4)o3)CC2)CC1 ZINC000513672309 1005076495 /nfs/dbraw/zinc/07/64/95/1005076495.db2.gz JDWNGJZBVGXDTR-UHFFFAOYSA-N 2 1 413.537 3.852 20 0 HHADMP C[C@H](NC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000511226682 1005081479 /nfs/dbraw/zinc/08/14/79/1005081479.db2.gz CJNJJKNNDBANPF-NRFANRHFSA-N 2 1 412.622 3.671 20 0 HHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511228748 1005082584 /nfs/dbraw/zinc/08/25/84/1005082584.db2.gz OLJISTIEKXNDNB-SIKLNZKXSA-N 2 1 400.611 3.933 20 0 HHADMP C[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511232038 1005083934 /nfs/dbraw/zinc/08/39/34/1005083934.db2.gz QXVSNUSIFXSHGA-FSSWDIPSSA-N 2 1 404.643 3.793 20 0 HHADMP C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511232956 1005084314 /nfs/dbraw/zinc/08/43/14/1005084314.db2.gz XBHDZXPFOXXHAW-SESVDKBCSA-N 2 1 401.570 3.807 20 0 HHADMP C[C@H](NC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511232956 1005084321 /nfs/dbraw/zinc/08/43/21/1005084321.db2.gz XBHDZXPFOXXHAW-SESVDKBCSA-N 2 1 401.570 3.807 20 0 HHADMP C[C@H](NC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511232956 1005084328 /nfs/dbraw/zinc/08/43/28/1005084328.db2.gz XBHDZXPFOXXHAW-SESVDKBCSA-N 2 1 401.570 3.807 20 0 HHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)[C@H]2CCC[C@H]21 ZINC000513713598 1005092935 /nfs/dbraw/zinc/09/29/35/1005092935.db2.gz QJOIUCOMACWWSG-BHIFYINESA-N 2 1 417.550 3.589 20 0 HHADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)[C@H]2CCC[C@@H]21 ZINC000513713121 1005093058 /nfs/dbraw/zinc/09/30/58/1005093058.db2.gz KSUGCHXFERAQFU-HKBOAZHASA-N 2 1 406.412 3.876 20 0 HHADMP C[C@H](CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[N@@H+]1CCc2sccc2C1 ZINC000502502696 1005094546 /nfs/dbraw/zinc/09/45/46/1005094546.db2.gz QTNKAYNNYHIHMW-LJQANCHMSA-N 2 1 418.651 3.792 20 0 HHADMP C[C@H](CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[N@H+]1CCc2sccc2C1 ZINC000502502696 1005094557 /nfs/dbraw/zinc/09/45/57/1005094557.db2.gz QTNKAYNNYHIHMW-LJQANCHMSA-N 2 1 418.651 3.792 20 0 HHADMP CC[C@@H](CNC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000511266575 1005098007 /nfs/dbraw/zinc/09/80/07/1005098007.db2.gz MOOXIDGZFDKGEY-DEOSSOPVSA-N 2 1 423.626 3.802 20 0 HHADMP COc1ccc(-c2nc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)cs2)cc1 ZINC000513819821 1005143699 /nfs/dbraw/zinc/14/36/99/1005143699.db2.gz DTUGPLFYQOMFKL-UHFFFAOYSA-N 2 1 401.576 3.753 20 0 HHADMP CC1CC[NH+](C2CCC(NC(=O)NCCC[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000502652242 1005161504 /nfs/dbraw/zinc/16/15/04/1005161504.db2.gz XELJKZHNVGFWKA-UHFFFAOYSA-N 2 1 400.611 3.851 20 0 HHADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000511505720 1005204444 /nfs/dbraw/zinc/20/44/44/1005204444.db2.gz FCLFKLVIRXNGPQ-SFTDATJTSA-N 2 1 405.533 3.621 20 0 HHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000502767541 1005208004 /nfs/dbraw/zinc/20/80/04/1005208004.db2.gz NWEUZUVLHZGPHK-QHCPKHFHSA-N 2 1 400.611 3.947 20 0 HHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000502797246 1005222081 /nfs/dbraw/zinc/22/20/81/1005222081.db2.gz UNPSDIOWUAMYNL-FYYLOGMGSA-N 2 1 422.617 3.980 20 0 HHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000514019996 1005230811 /nfs/dbraw/zinc/23/08/11/1005230811.db2.gz KHUFPEWNTMJWOX-QZTJIDSGSA-N 2 1 407.002 3.724 20 0 HHADMP C[C@H](CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCc2sccc2C1 ZINC000502822356 1005232555 /nfs/dbraw/zinc/23/25/55/1005232555.db2.gz BLCIVJGOTCWCTQ-CEXWTWQISA-N 2 1 406.640 3.552 20 0 HHADMP C[C@H](CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCc2sccc2C1 ZINC000502822356 1005232562 /nfs/dbraw/zinc/23/25/62/1005232562.db2.gz BLCIVJGOTCWCTQ-CEXWTWQISA-N 2 1 406.640 3.552 20 0 HHADMP C[C@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000502822356 1005232568 /nfs/dbraw/zinc/23/25/68/1005232568.db2.gz BLCIVJGOTCWCTQ-CEXWTWQISA-N 2 1 406.640 3.552 20 0 HHADMP C[C@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@H+]1CCc2sccc2C1 ZINC000502822356 1005232571 /nfs/dbraw/zinc/23/25/71/1005232571.db2.gz BLCIVJGOTCWCTQ-CEXWTWQISA-N 2 1 406.640 3.552 20 0 HHADMP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000502878028 1005255428 /nfs/dbraw/zinc/25/54/28/1005255428.db2.gz UIONLMWZPCTDOR-VXKWHMMOSA-N 2 1 400.611 3.662 20 0 HHADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000511644335 1005258334 /nfs/dbraw/zinc/25/83/34/1005258334.db2.gz BRIPVWXTDNDGDS-UHFFFAOYSA-N 2 1 400.394 3.909 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1F ZINC000514112069 1005270975 /nfs/dbraw/zinc/27/09/75/1005270975.db2.gz VYRRPAFHGGJFJF-QZTJIDSGSA-N 2 1 415.557 3.877 20 0 HHADMP C[C@H]1CC[N@H+](C)CCN1C(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000502964932 1005295093 /nfs/dbraw/zinc/29/50/93/1005295093.db2.gz LMPKQVBNICOXRK-GHTZIAJQSA-N 2 1 412.603 3.583 20 0 HHADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000502964932 1005295096 /nfs/dbraw/zinc/29/50/96/1005295096.db2.gz LMPKQVBNICOXRK-GHTZIAJQSA-N 2 1 412.603 3.583 20 0 HHADMP C[C@H]1CC[NH+](C)CCN1C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000502964932 1005295102 /nfs/dbraw/zinc/29/51/02/1005295102.db2.gz LMPKQVBNICOXRK-GHTZIAJQSA-N 2 1 412.603 3.583 20 0 HHADMP C[C@H]1CC[NH+](C)CCN1C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000502964932 1005295108 /nfs/dbraw/zinc/29/51/08/1005295108.db2.gz LMPKQVBNICOXRK-GHTZIAJQSA-N 2 1 412.603 3.583 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000514183307 1005301709 /nfs/dbraw/zinc/30/17/09/1005301709.db2.gz TZNKURFWRPQXSU-MJGOQNOKSA-N 2 1 403.596 3.662 20 0 HHADMP C[C@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000502998889 1005309873 /nfs/dbraw/zinc/30/98/73/1005309873.db2.gz UCYVPIYKVOYMKW-UTKZUKDTSA-N 2 1 403.364 3.779 20 0 HHADMP C[C@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000502998889 1005309878 /nfs/dbraw/zinc/30/98/78/1005309878.db2.gz UCYVPIYKVOYMKW-UTKZUKDTSA-N 2 1 403.364 3.779 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)cc1F ZINC000514224279 1005321042 /nfs/dbraw/zinc/32/10/42/1005321042.db2.gz AFMLKIRUKHVRNL-JOCHJYFZSA-N 2 1 415.557 3.876 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000503050632 1005328315 /nfs/dbraw/zinc/32/83/15/1005328315.db2.gz OHZBYUNPHREGHI-BHDDXSALSA-N 2 1 424.614 3.774 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000503050632 1005328320 /nfs/dbraw/zinc/32/83/20/1005328320.db2.gz OHZBYUNPHREGHI-BHDDXSALSA-N 2 1 424.614 3.774 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000503050632 1005328323 /nfs/dbraw/zinc/32/83/23/1005328323.db2.gz OHZBYUNPHREGHI-BHDDXSALSA-N 2 1 424.614 3.774 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000503050632 1005328326 /nfs/dbraw/zinc/32/83/26/1005328326.db2.gz OHZBYUNPHREGHI-BHDDXSALSA-N 2 1 424.614 3.774 20 0 HHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000503076467 1005340336 /nfs/dbraw/zinc/34/03/36/1005340336.db2.gz PDIAWWVCDXMWSV-UHFFFAOYSA-N 2 1 400.910 3.743 20 0 HHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000503076467 1005340341 /nfs/dbraw/zinc/34/03/41/1005340341.db2.gz PDIAWWVCDXMWSV-UHFFFAOYSA-N 2 1 400.910 3.743 20 0 HHADMP CN(C(=O)NCCC[N@@H+](C)Cc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000503113426 1005350492 /nfs/dbraw/zinc/35/04/92/1005350492.db2.gz WFJMFJORXBESAS-UHFFFAOYSA-N 2 1 408.590 3.815 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000503209937 1005369105 /nfs/dbraw/zinc/36/91/05/1005369105.db2.gz WELUKKJXBLCMBM-XZOQPEGZSA-N 2 1 424.589 3.589 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[N@@H+]1CCc2sccc2C1 ZINC000503328057 1005391166 /nfs/dbraw/zinc/39/11/66/1005391166.db2.gz HNNOGQXFEQHPKU-UXHICEINSA-N 2 1 418.651 3.792 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[N@H+]1CCc2sccc2C1 ZINC000503328057 1005391167 /nfs/dbraw/zinc/39/11/67/1005391167.db2.gz HNNOGQXFEQHPKU-UXHICEINSA-N 2 1 418.651 3.792 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000503416832 1005414099 /nfs/dbraw/zinc/41/40/99/1005414099.db2.gz AUPLLXCLBXPTBS-FUPPJEDESA-N 2 1 414.638 3.607 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000503416832 1005414102 /nfs/dbraw/zinc/41/41/02/1005414102.db2.gz AUPLLXCLBXPTBS-FUPPJEDESA-N 2 1 414.638 3.607 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000503416832 1005414105 /nfs/dbraw/zinc/41/41/05/1005414105.db2.gz AUPLLXCLBXPTBS-FUPPJEDESA-N 2 1 414.638 3.607 20 0 HHADMP C[NH+]1CCC(CCNC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000503712121 1005484688 /nfs/dbraw/zinc/48/46/88/1005484688.db2.gz DKWPHRBURZNZBJ-UHFFFAOYSA-N 2 1 420.601 3.835 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000503952796 1005518124 /nfs/dbraw/zinc/51/81/24/1005518124.db2.gz KSHSOUZVPTXXDY-GOSISDBHSA-N 2 1 407.002 3.868 20 0 HHADMP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H](C)[N@@H+]3CCc4ccccc4C3)c2)CC1 ZINC000504207649 1005573409 /nfs/dbraw/zinc/57/34/09/1005573409.db2.gz KCOZNADZOBOYMS-FQEVSTJZSA-N 2 1 406.574 3.602 20 0 HHADMP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H](C)[N@H+]3CCc4ccccc4C3)c2)CC1 ZINC000504207649 1005573412 /nfs/dbraw/zinc/57/34/12/1005573412.db2.gz KCOZNADZOBOYMS-FQEVSTJZSA-N 2 1 406.574 3.602 20 0 HHADMP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000504352053 1005604474 /nfs/dbraw/zinc/60/44/74/1005604474.db2.gz QJLVXWDFBBIEPQ-ZEQRLZLVSA-N 2 1 418.585 3.730 20 0 HHADMP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000504352053 1005604476 /nfs/dbraw/zinc/60/44/76/1005604476.db2.gz QJLVXWDFBBIEPQ-ZEQRLZLVSA-N 2 1 418.585 3.730 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000514413107 1005979307 /nfs/dbraw/zinc/97/93/07/1005979307.db2.gz WDOUCKTWZBNRFE-LJQANCHMSA-N 2 1 402.583 3.666 20 0 HHADMP Cn1ccnc1C[NH+]1CCC(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000531129881 1006007606 /nfs/dbraw/zinc/00/76/06/1006007606.db2.gz IKKKBJQDSMSRKI-UHFFFAOYSA-N 2 1 409.578 3.647 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2ccc3ccccc3n2)CC1)Cc1ccccc1 ZINC000531167330 1006025649 /nfs/dbraw/zinc/02/56/49/1006025649.db2.gz OBOFQMWMALPWQY-UHFFFAOYSA-N 2 1 416.569 3.695 20 0 HHADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc3c(c2)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000531188785 1006035213 /nfs/dbraw/zinc/03/52/13/1006035213.db2.gz BHGZDZILAHUUME-NQIIRXRSSA-N 2 1 409.530 3.729 20 0 HHADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc3c(c2)OCO3)CC[N@H+]1Cc1ccccc1 ZINC000531188785 1006035226 /nfs/dbraw/zinc/03/52/26/1006035226.db2.gz BHGZDZILAHUUME-NQIIRXRSSA-N 2 1 409.530 3.729 20 0 HHADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc3c(c2)OCO3)CC[NH+]1Cc1ccccc1 ZINC000531188785 1006035240 /nfs/dbraw/zinc/03/52/40/1006035240.db2.gz BHGZDZILAHUUME-NQIIRXRSSA-N 2 1 409.530 3.729 20 0 HHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccc3c(c2)OCO3)CC[NH+]1Cc1ccccc1 ZINC000531188785 1006035253 /nfs/dbraw/zinc/03/52/53/1006035253.db2.gz BHGZDZILAHUUME-NQIIRXRSSA-N 2 1 409.530 3.729 20 0 HHADMP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531291185 1006097445 /nfs/dbraw/zinc/09/74/45/1006097445.db2.gz YCTSPBUTSZYYKB-VWLOTQADSA-N 2 1 407.558 3.638 20 0 HHADMP CCOc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000534194039 1006183935 /nfs/dbraw/zinc/18/39/35/1006183935.db2.gz KJQTXIASMCWJBV-SFTDATJTSA-N 2 1 402.583 3.886 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C23C[C@H]4C[C@@H](C2)CC(C(F)(F)F)(C4)C3)CC1 ZINC000531430776 1006191513 /nfs/dbraw/zinc/19/15/13/1006191513.db2.gz HVWJCDNSXOIAII-XBLGPDGASA-N 2 1 422.495 3.921 20 0 HHADMP C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534206978 1006199706 /nfs/dbraw/zinc/19/97/06/1006199706.db2.gz KIBOQRAZRJUXDD-IFXFZGMBSA-N 2 1 424.992 3.892 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000531453772 1006207219 /nfs/dbraw/zinc/20/72/19/1006207219.db2.gz GNYHHGNMQSTJFU-NZQKXSOJSA-N 2 1 406.574 3.776 20 0 HHADMP O=C1c2ccccc2C(=O)N1CCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534228560 1006227111 /nfs/dbraw/zinc/22/71/11/1006227111.db2.gz XXONBNRQRJHJKM-UHFFFAOYSA-N 2 1 417.553 3.661 20 0 HHADMP CCC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534234862 1006237566 /nfs/dbraw/zinc/23/75/66/1006237566.db2.gz HPXMCMLKKRIICK-OXQOHEQNSA-N 2 1 410.965 3.646 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccccc2OCCN2CCOCC2)cc1 ZINC000531696743 1006360618 /nfs/dbraw/zinc/36/06/18/1006360618.db2.gz FTOZCTKYGKEKDV-FQEVSTJZSA-N 2 1 420.557 3.743 20 0 HHADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000531721238 1006378621 /nfs/dbraw/zinc/37/86/21/1006378621.db2.gz QFQAUGQIOXCBLB-NLFFAJNJSA-N 2 1 409.574 3.754 20 0 HHADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000531721238 1006378627 /nfs/dbraw/zinc/37/86/27/1006378627.db2.gz QFQAUGQIOXCBLB-NLFFAJNJSA-N 2 1 409.574 3.754 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000531899990 1006507581 /nfs/dbraw/zinc/50/75/81/1006507581.db2.gz XOJDXNFUTJQKDK-UHFFFAOYSA-N 2 1 400.394 3.704 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cc(Cl)cc4cccnc43)c2)C1 ZINC000531910808 1006514783 /nfs/dbraw/zinc/51/47/83/1006514783.db2.gz AQOLCXOXPYBZSX-HXUWFJFHSA-N 2 1 422.960 3.875 20 0 HHADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531931945 1006528291 /nfs/dbraw/zinc/52/82/91/1006528291.db2.gz WBKYBMQOMSSGFK-LPHOPBHVSA-N 2 1 421.010 3.697 20 0 HHADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531932201 1006529073 /nfs/dbraw/zinc/52/90/73/1006529073.db2.gz IUDWJBBSKZDFHC-RXVVDRJESA-N 2 1 414.619 3.606 20 0 HHADMP Cc1cc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ncc1Br ZINC000534603986 1006583821 /nfs/dbraw/zinc/58/38/21/1006583821.db2.gz MUOYMDLJUMSQOV-UHFFFAOYSA-N 2 1 409.416 3.785 20 0 HHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](c3ccccc3)C(C)C)CC2)cc1 ZINC000538360482 1006629855 /nfs/dbraw/zinc/62/98/55/1006629855.db2.gz OHMJHQWJNXGAKE-RUZDIDTESA-N 2 1 409.574 3.716 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](c3ccccc3)C(C)C)CC2)cc1 ZINC000538360482 1006629862 /nfs/dbraw/zinc/62/98/62/1006629862.db2.gz OHMJHQWJNXGAKE-RUZDIDTESA-N 2 1 409.574 3.716 20 0 HHADMP COc1cccc(CNC(=O)[C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000515757997 1006648087 /nfs/dbraw/zinc/64/80/87/1006648087.db2.gz TYGWHXUHMVZQJL-HBMCJLEFSA-N 2 1 423.601 3.968 20 0 HHADMP COc1ccc([C@H]([NH2+][C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000538392811 1006662802 /nfs/dbraw/zinc/66/28/02/1006662802.db2.gz OVCQSRVSQPNXCS-IHLLOCCUSA-N 2 1 407.558 3.515 20 0 HHADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cnn(Cc2ccccc2)c1 ZINC000532187962 1006706579 /nfs/dbraw/zinc/70/65/79/1006706579.db2.gz PKHVGLARDOOCRJ-SIKLNZKXSA-N 2 1 409.603 3.632 20 0 HHADMP C[N@H+]1CC[C@@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000534720394 1006706876 /nfs/dbraw/zinc/70/68/76/1006706876.db2.gz ADVJBVANPOEKQQ-DNQXCXABSA-N 2 1 406.574 3.738 20 0 HHADMP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCCCN3CC[NH+](C)CC3)s2)cc1 ZINC000532195221 1006713080 /nfs/dbraw/zinc/71/30/80/1006713080.db2.gz QBCLLDUWSPSNJO-QGZVFWFLSA-N 2 1 402.608 3.805 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000532235412 1006740159 /nfs/dbraw/zinc/74/01/59/1006740159.db2.gz FSGYKHIAPRFPLH-WFXMLNOXSA-N 2 1 401.576 3.762 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000532235412 1006740170 /nfs/dbraw/zinc/74/01/70/1006740170.db2.gz FSGYKHIAPRFPLH-WFXMLNOXSA-N 2 1 401.576 3.762 20 0 HHADMP C[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000534827190 1006838448 /nfs/dbraw/zinc/83/84/48/1006838448.db2.gz FKWPRPCNLADGPQ-LEWJYISDSA-N 2 1 400.954 3.646 20 0 HHADMP C[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000534827190 1006838459 /nfs/dbraw/zinc/83/84/59/1006838459.db2.gz FKWPRPCNLADGPQ-LEWJYISDSA-N 2 1 400.954 3.646 20 0 HHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000532450571 1006893929 /nfs/dbraw/zinc/89/39/29/1006893929.db2.gz UMHYHMWMLSPYJJ-LVCYWYKZSA-N 2 1 412.544 3.536 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C3CCC(O)(C(F)(F)F)CC3)cc2)C[C@H](C)O1 ZINC000532452170 1006894767 /nfs/dbraw/zinc/89/47/67/1006894767.db2.gz YPUMBDUBNJECMK-BANKROOTSA-N 2 1 400.485 3.621 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000532457323 1006898147 /nfs/dbraw/zinc/89/81/47/1006898147.db2.gz QYHMMCGYDSQVSP-LJQANCHMSA-N 2 1 415.603 3.774 20 0 HHADMP CC(C)Cc1ccc(C(=O)CCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000516207822 1006944504 /nfs/dbraw/zinc/94/45/04/1006944504.db2.gz PKINRTCIIRHFDH-UHFFFAOYSA-N 2 1 408.546 3.634 20 0 HHADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000516242082 1006969155 /nfs/dbraw/zinc/96/91/55/1006969155.db2.gz BDVNZVGMKQKDAU-FGTMMUONSA-N 2 1 422.564 3.595 20 0 HHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000516242082 1006969176 /nfs/dbraw/zinc/96/91/76/1006969176.db2.gz BDVNZVGMKQKDAU-FGTMMUONSA-N 2 1 422.564 3.595 20 0 HHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2csc(CNC(=O)c3ccccc3)n2)CC1 ZINC000532537829 1006972751 /nfs/dbraw/zinc/97/27/51/1006972751.db2.gz NSMVMUXFVZIDET-UHFFFAOYSA-N 2 1 400.592 3.625 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2csc(CNC(=O)c3ccccc3)n2)CC1 ZINC000532537829 1006972765 /nfs/dbraw/zinc/97/27/65/1006972765.db2.gz NSMVMUXFVZIDET-UHFFFAOYSA-N 2 1 400.592 3.625 20 0 HHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2csc(CC(=O)Nc3ccccc3)n2)CC1 ZINC000532538160 1006973155 /nfs/dbraw/zinc/97/31/55/1006973155.db2.gz INCNBCNFBZEROG-UHFFFAOYSA-N 2 1 400.592 3.877 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2csc(CC(=O)Nc3ccccc3)n2)CC1 ZINC000532538160 1006973199 /nfs/dbraw/zinc/97/31/99/1006973199.db2.gz INCNBCNFBZEROG-UHFFFAOYSA-N 2 1 400.592 3.877 20 0 HHADMP C[C@H]1C[N@H+](Cc2c(OC(F)F)ccc3ccccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000538724319 1007001548 /nfs/dbraw/zinc/00/15/48/1007001548.db2.gz DPRIXBFTKQZLAU-UWJYYQICSA-N 2 1 403.517 3.899 20 0 HHADMP C[C@H]1C[N@@H+](Cc2c(OC(F)F)ccc3ccccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000538724319 1007001558 /nfs/dbraw/zinc/00/15/58/1007001558.db2.gz DPRIXBFTKQZLAU-UWJYYQICSA-N 2 1 403.517 3.899 20 0 HHADMP COc1ccc(C)cc1NC(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534963522 1007013118 /nfs/dbraw/zinc/01/31/18/1007013118.db2.gz DUTWQBCXEZTFSG-UHFFFAOYSA-N 2 1 407.558 3.930 20 0 HHADMP COc1ccc(C)cc1NC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534963522 1007013132 /nfs/dbraw/zinc/01/31/32/1007013132.db2.gz DUTWQBCXEZTFSG-UHFFFAOYSA-N 2 1 407.558 3.930 20 0 HHADMP Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c(-c2ccncc2)n1 ZINC000538732563 1007013908 /nfs/dbraw/zinc/01/39/08/1007013908.db2.gz YYLZBOCPIQSVPP-RUZDIDTESA-N 2 1 401.558 3.970 20 0 HHADMP Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c(-c2ccncc2)n1 ZINC000538732563 1007013918 /nfs/dbraw/zinc/01/39/18/1007013918.db2.gz YYLZBOCPIQSVPP-RUZDIDTESA-N 2 1 401.558 3.970 20 0 HHADMP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c(-c2ccncc2)n1 ZINC000538732563 1007013929 /nfs/dbraw/zinc/01/39/29/1007013929.db2.gz YYLZBOCPIQSVPP-RUZDIDTESA-N 2 1 401.558 3.970 20 0 HHADMP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c(-c2ccncc2)n1 ZINC000538732563 1007013938 /nfs/dbraw/zinc/01/39/38/1007013938.db2.gz YYLZBOCPIQSVPP-RUZDIDTESA-N 2 1 401.558 3.970 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](C/C=C\c2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000538734957 1007016834 /nfs/dbraw/zinc/01/68/34/1007016834.db2.gz OPTWPMVHUXPZRA-YVMONPNESA-N 2 1 409.549 3.799 20 0 HHADMP COc1ccc2oc(C[NH+]3CCN(c4ccccc4OCC[NH+](C)C)CC3)cc2c1 ZINC000538740155 1007023875 /nfs/dbraw/zinc/02/38/75/1007023875.db2.gz OENGXIQFHCFFMP-UHFFFAOYSA-N 2 1 409.530 3.704 20 0 HHADMP C[NH+]1CCN([C@H](C[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)c2cccs2)CC1 ZINC000516373180 1007048104 /nfs/dbraw/zinc/04/81/04/1007048104.db2.gz TUAOCNPORGCAFW-VLCRHTCISA-N 2 1 417.594 3.933 20 0 HHADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000538763190 1007048468 /nfs/dbraw/zinc/04/84/68/1007048468.db2.gz MNHMRWOSJQORKZ-UHFFFAOYSA-N 2 1 413.585 3.619 20 0 HHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000532628135 1007050267 /nfs/dbraw/zinc/05/02/67/1007050267.db2.gz AWPOPKPRWDLLIF-DHIUTWEWSA-N 2 1 418.532 3.625 20 0 HHADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000532628906 1007051145 /nfs/dbraw/zinc/05/11/45/1007051145.db2.gz QXZAOJQIQHQASM-DNQXCXABSA-N 2 1 408.590 3.693 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000538796500 1007077585 /nfs/dbraw/zinc/07/75/85/1007077585.db2.gz JUNSLBJIZCKGDM-TZRRMPRUSA-N 2 1 417.557 3.618 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000538796500 1007077598 /nfs/dbraw/zinc/07/75/98/1007077598.db2.gz JUNSLBJIZCKGDM-TZRRMPRUSA-N 2 1 417.557 3.618 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000538796499 1007077829 /nfs/dbraw/zinc/07/78/29/1007077829.db2.gz JUNSLBJIZCKGDM-SMIHKQSGSA-N 2 1 417.557 3.618 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000538796499 1007077842 /nfs/dbraw/zinc/07/78/42/1007077842.db2.gz JUNSLBJIZCKGDM-SMIHKQSGSA-N 2 1 417.557 3.618 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000516579003 1007165333 /nfs/dbraw/zinc/16/53/33/1007165333.db2.gz FLKUGAYFPLNOKE-YADARESESA-N 2 1 424.564 3.925 20 0 HHADMP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000532779662 1007178124 /nfs/dbraw/zinc/17/81/24/1007178124.db2.gz AEXBJHKUIDWFSS-QFIPXVFZSA-N 2 1 413.997 3.706 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)COc1ccccc1Cl ZINC000538944135 1007228238 /nfs/dbraw/zinc/22/82/38/1007228238.db2.gz MVBUMIKKYZHJBE-FQEVSTJZSA-N 2 1 403.954 3.713 20 0 HHADMP CN(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000538980391 1007273652 /nfs/dbraw/zinc/27/36/52/1007273652.db2.gz OTUICPGOVBZPCK-XMMPIXPASA-N 2 1 421.589 3.604 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000539004835 1007303039 /nfs/dbraw/zinc/30/30/39/1007303039.db2.gz XVKGJUDJCZKUMR-LEWJYISDSA-N 2 1 421.589 3.602 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)CC1 ZINC000532949769 1007320453 /nfs/dbraw/zinc/32/04/53/1007320453.db2.gz GSPUWNMHZBRLMK-UHFFFAOYSA-N 2 1 408.590 3.836 20 0 HHADMP COc1c(C)cc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C ZINC000539122660 1007411703 /nfs/dbraw/zinc/41/17/03/1007411703.db2.gz SFJVVBLMBWKVSS-UHFFFAOYSA-N 2 1 401.595 3.580 20 0 HHADMP C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@@H+](C)CCCn1ccnc1 ZINC000539220104 1007511490 /nfs/dbraw/zinc/51/14/90/1007511490.db2.gz GMILQUGMCAEHQS-INIZCTEOSA-N 2 1 411.531 3.546 20 0 HHADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000539234264 1007528722 /nfs/dbraw/zinc/52/87/22/1007528722.db2.gz SJCFESXCWGATGG-FQEVSTJZSA-N 2 1 408.590 3.958 20 0 HHADMP C[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000535503043 1007558992 /nfs/dbraw/zinc/55/89/92/1007558992.db2.gz CDQXUAVNISHWFU-LEWJYISDSA-N 2 1 404.986 3.791 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000535503043 1007559005 /nfs/dbraw/zinc/55/90/05/1007559005.db2.gz CDQXUAVNISHWFU-LEWJYISDSA-N 2 1 404.986 3.791 20 0 HHADMP C[NH+]1CC[C@@H](NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000535503189 1007559370 /nfs/dbraw/zinc/55/93/70/1007559370.db2.gz DXEDEZHANDBSJM-LRSLUSHPSA-N 2 1 412.965 3.830 20 0 HHADMP C[NH+]1CC[C@@H](NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000535503189 1007559379 /nfs/dbraw/zinc/55/93/79/1007559379.db2.gz DXEDEZHANDBSJM-LRSLUSHPSA-N 2 1 412.965 3.830 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000535503189 1007559385 /nfs/dbraw/zinc/55/93/85/1007559385.db2.gz DXEDEZHANDBSJM-LRSLUSHPSA-N 2 1 412.965 3.830 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000535503189 1007559387 /nfs/dbraw/zinc/55/93/87/1007559387.db2.gz DXEDEZHANDBSJM-LRSLUSHPSA-N 2 1 412.965 3.830 20 0 HHADMP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)cc2)C1 ZINC000535504088 1007559998 /nfs/dbraw/zinc/55/99/98/1007559998.db2.gz NCWMMKZGCFVACT-JRGCBEDISA-N 2 1 407.002 3.897 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)cc2)C1 ZINC000535504088 1007560001 /nfs/dbraw/zinc/56/00/01/1007560001.db2.gz NCWMMKZGCFVACT-JRGCBEDISA-N 2 1 407.002 3.897 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)C1 ZINC000535504088 1007560004 /nfs/dbraw/zinc/56/00/04/1007560004.db2.gz NCWMMKZGCFVACT-JRGCBEDISA-N 2 1 407.002 3.897 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)C1 ZINC000535504088 1007560010 /nfs/dbraw/zinc/56/00/10/1007560010.db2.gz NCWMMKZGCFVACT-JRGCBEDISA-N 2 1 407.002 3.897 20 0 HHADMP COc1cccc(OC)c1OCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000517429518 1007651861 /nfs/dbraw/zinc/65/18/61/1007651861.db2.gz VIYXCWMMZPZBHP-SZPZYZBQSA-N 2 1 410.558 3.927 20 0 HHADMP COc1cccc(OC)c1OCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000517429518 1007651875 /nfs/dbraw/zinc/65/18/75/1007651875.db2.gz VIYXCWMMZPZBHP-SZPZYZBQSA-N 2 1 410.558 3.927 20 0 HHADMP COc1cccc(OC)c1OCCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000517429518 1007651887 /nfs/dbraw/zinc/65/18/87/1007651887.db2.gz VIYXCWMMZPZBHP-SZPZYZBQSA-N 2 1 410.558 3.927 20 0 HHADMP C[C@H](CNC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C[NH+]1CCCCC1 ZINC000535654015 1007665646 /nfs/dbraw/zinc/66/56/46/1007665646.db2.gz DPUXVXZWEOHEKY-BLIXFSHQSA-N 2 1 424.992 3.893 20 0 HHADMP C[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C[NH+]1CCCCC1 ZINC000535654036 1007667365 /nfs/dbraw/zinc/66/73/65/1007667365.db2.gz DPUXVXZWEOHEKY-PLMTUMEDSA-N 2 1 424.992 3.893 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000517462794 1007687221 /nfs/dbraw/zinc/68/72/21/1007687221.db2.gz RGWYIFWCOJKEGX-APWZRJJASA-N 2 1 414.516 3.729 20 0 HHADMP CC(=O)Nc1ccc(NC(=O)C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000535673631 1007695362 /nfs/dbraw/zinc/69/53/62/1007695362.db2.gz BJQGENMFIBEYJW-UHFFFAOYSA-N 2 1 420.557 3.572 20 0 HHADMP CC(=O)Nc1ccc(NC(=O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000535673631 1007695369 /nfs/dbraw/zinc/69/53/69/1007695369.db2.gz BJQGENMFIBEYJW-UHFFFAOYSA-N 2 1 420.557 3.572 20 0 HHADMP O[C@H](COc1cccc2[nH]ccc21)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535675909 1007700788 /nfs/dbraw/zinc/70/07/88/1007700788.db2.gz MQKUCJOJYUIKPQ-QFIPXVFZSA-N 2 1 419.569 3.896 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535681869 1007711909 /nfs/dbraw/zinc/71/19/09/1007711909.db2.gz QQXHCOWQQBSWDV-LAUBAEHRSA-N 2 1 424.992 3.892 20 0 HHADMP C[N@H+](CCCO)C1CC[NH+](CCC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000533435014 1007748045 /nfs/dbraw/zinc/74/80/45/1007748045.db2.gz HGSCBISRMBGOGS-UHFFFAOYSA-N 2 1 411.546 3.586 20 0 HHADMP C[N@@H+](CCCO)C1CC[NH+](CCC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000533435014 1007748057 /nfs/dbraw/zinc/74/80/57/1007748057.db2.gz HGSCBISRMBGOGS-UHFFFAOYSA-N 2 1 411.546 3.586 20 0 HHADMP CCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000533439508 1007755179 /nfs/dbraw/zinc/75/51/79/1007755179.db2.gz OBKNMUDKIBCGIG-FGZHOGPDSA-N 2 1 405.627 3.569 20 0 HHADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3nc4cc(Cl)ccc4n3C)CC2)C[C@@H](C)O1 ZINC000533481632 1007791063 /nfs/dbraw/zinc/79/10/63/1007791063.db2.gz KVKKOJXVNLMHSD-IAGOWNOFSA-N 2 1 404.986 3.938 20 0 HHADMP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C12CCC2 ZINC000539496411 1007807321 /nfs/dbraw/zinc/80/73/21/1007807321.db2.gz MDZPWVGFJVYRAM-XZOQPEGZSA-N 2 1 402.579 3.614 20 0 HHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)c2)cc1 ZINC000535806095 1007815650 /nfs/dbraw/zinc/81/56/50/1007815650.db2.gz FBHYCOPXKCNSGS-GMKZXUHWSA-N 2 1 423.557 3.631 20 0 HHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)c2)cc1 ZINC000535806095 1007815658 /nfs/dbraw/zinc/81/56/58/1007815658.db2.gz FBHYCOPXKCNSGS-GMKZXUHWSA-N 2 1 423.557 3.631 20 0 HHADMP C[C@H](C(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000517636066 1007845187 /nfs/dbraw/zinc/84/51/87/1007845187.db2.gz OSSQOYZJXCTDAB-LEWJYISDSA-N 2 1 405.586 3.982 20 0 HHADMP C[C@H](C(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000517636066 1007845198 /nfs/dbraw/zinc/84/51/98/1007845198.db2.gz OSSQOYZJXCTDAB-LEWJYISDSA-N 2 1 405.586 3.982 20 0 HHADMP C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000517636066 1007845208 /nfs/dbraw/zinc/84/52/08/1007845208.db2.gz OSSQOYZJXCTDAB-LEWJYISDSA-N 2 1 405.586 3.982 20 0 HHADMP C[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000517636066 1007845222 /nfs/dbraw/zinc/84/52/22/1007845222.db2.gz OSSQOYZJXCTDAB-LEWJYISDSA-N 2 1 405.586 3.982 20 0 HHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000535943021 1007975958 /nfs/dbraw/zinc/97/59/58/1007975958.db2.gz JGWCXSQBEAQTLD-RDPSFJRHSA-N 2 1 412.622 3.934 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1F ZINC000517806592 1007982822 /nfs/dbraw/zinc/98/28/22/1007982822.db2.gz QQHWTPSOOHXFMH-ZHRRBRCNSA-N 2 1 401.530 3.630 20 0 HHADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc3[nH]c(CCN4CCOCC4)[nH+]c3c2)C1 ZINC000539708187 1008026767 /nfs/dbraw/zinc/02/67/67/1008026767.db2.gz BVLHSOXOIGSLBR-UGKGYDQZSA-N 2 1 419.573 3.685 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc3[nH]c(CCN4CCOCC4)[nH+]c3c2)C1 ZINC000539708187 1008026771 /nfs/dbraw/zinc/02/67/71/1008026771.db2.gz BVLHSOXOIGSLBR-UGKGYDQZSA-N 2 1 419.573 3.685 20 0 HHADMP Cc1ccc(NC2CC[NH+](Cc3ccccn3)CC2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000539732431 1008052642 /nfs/dbraw/zinc/05/26/42/1008052642.db2.gz AENCCNBHZWOWQZ-UHFFFAOYSA-N 2 1 421.589 3.891 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)C1 ZINC000517912313 1008053446 /nfs/dbraw/zinc/05/34/46/1008053446.db2.gz YTXLTSAKVHLNFI-OFNKIYASSA-N 2 1 400.611 3.981 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1 ZINC000517912313 1008053452 /nfs/dbraw/zinc/05/34/52/1008053452.db2.gz YTXLTSAKVHLNFI-OFNKIYASSA-N 2 1 400.611 3.981 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000517912313 1008053458 /nfs/dbraw/zinc/05/34/58/1008053458.db2.gz YTXLTSAKVHLNFI-OFNKIYASSA-N 2 1 400.611 3.981 20 0 HHADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000517933992 1008062591 /nfs/dbraw/zinc/06/25/91/1008062591.db2.gz NIBYEMXNKJUIDB-LJQANCHMSA-N 2 1 404.352 3.607 20 0 HHADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000536048771 1008080657 /nfs/dbraw/zinc/08/06/57/1008080657.db2.gz YKJPVFYUNMIUHS-IFBIMPTNSA-N 2 1 404.558 3.668 20 0 HHADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000536048771 1008080664 /nfs/dbraw/zinc/08/06/64/1008080664.db2.gz YKJPVFYUNMIUHS-IFBIMPTNSA-N 2 1 404.558 3.668 20 0 HHADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000536048771 1008080672 /nfs/dbraw/zinc/08/06/72/1008080672.db2.gz YKJPVFYUNMIUHS-IFBIMPTNSA-N 2 1 404.558 3.668 20 0 HHADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000536048771 1008080679 /nfs/dbraw/zinc/08/06/79/1008080679.db2.gz YKJPVFYUNMIUHS-IFBIMPTNSA-N 2 1 404.558 3.668 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NCC2=CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539766529 1008082591 /nfs/dbraw/zinc/08/25/91/1008082591.db2.gz PSLBIGPNQYCQDZ-WOJBJXKFSA-N 2 1 408.949 3.564 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NCC2=CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539766529 1008082598 /nfs/dbraw/zinc/08/25/98/1008082598.db2.gz PSLBIGPNQYCQDZ-WOJBJXKFSA-N 2 1 408.949 3.564 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)NCC2=CC[N@H+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539766529 1008082601 /nfs/dbraw/zinc/08/26/01/1008082601.db2.gz PSLBIGPNQYCQDZ-WOJBJXKFSA-N 2 1 408.949 3.564 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)NCC2=CC[N@@H+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539766529 1008082606 /nfs/dbraw/zinc/08/26/06/1008082606.db2.gz PSLBIGPNQYCQDZ-WOJBJXKFSA-N 2 1 408.949 3.564 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@H](c4nccn4C)C3)cc2)C1 ZINC000533768213 1008093792 /nfs/dbraw/zinc/09/37/92/1008093792.db2.gz SGFUWHMSBURWRK-JQVVWYNYSA-N 2 1 409.578 3.597 20 0 HHADMP C[N@@H+](CCNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)C1CCCC1 ZINC000518018502 1008106457 /nfs/dbraw/zinc/10/64/57/1008106457.db2.gz KNVXSKKQFMHSMU-UHFFFAOYSA-N 2 1 407.002 3.726 20 0 HHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC2CCN(CC[NH+](C)C)CC2)o1 ZINC000518275553 1008235585 /nfs/dbraw/zinc/23/55/85/1008235585.db2.gz SJAHNLDXECMKGY-UHFFFAOYSA-N 2 1 421.589 3.804 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N(Cc1ccccc1)C1CC1 ZINC000540045936 1008255042 /nfs/dbraw/zinc/25/50/42/1008255042.db2.gz UFRQEVUSOTZEPR-UHFFFAOYSA-N 2 1 406.574 3.811 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)COCc1ccccc1Cl ZINC000540046425 1008255656 /nfs/dbraw/zinc/25/56/56/1008255656.db2.gz AMYYPQNDONHDGH-QFIPXVFZSA-N 2 1 417.981 3.851 20 0 HHADMP C[C@@H](c1ccc(NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000518385342 1008284006 /nfs/dbraw/zinc/28/40/06/1008284006.db2.gz RWROMZKVBBHCHZ-JTSKRJEESA-N 2 1 414.525 3.643 20 0 HHADMP C[C@@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000518389974 1008285901 /nfs/dbraw/zinc/28/59/01/1008285901.db2.gz LCLVZWLBUVBUSE-NZQKXSOJSA-N 2 1 409.574 3.876 20 0 HHADMP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000518451110 1008312982 /nfs/dbraw/zinc/31/29/82/1008312982.db2.gz IGOHDMKLGGILNH-QFIPXVFZSA-N 2 1 420.601 3.835 20 0 HHADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000518451110 1008312985 /nfs/dbraw/zinc/31/29/85/1008312985.db2.gz IGOHDMKLGGILNH-QFIPXVFZSA-N 2 1 420.601 3.835 20 0 HHADMP O=C(CCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)N1CCc2ccccc21 ZINC000540176695 1008323712 /nfs/dbraw/zinc/32/37/12/1008323712.db2.gz DVAIVKHRDZCANN-UHFFFAOYSA-N 2 1 409.549 3.792 20 0 HHADMP CC1CC[NH+]([C@@H](CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c2cccs2)CC1 ZINC000518520022 1008335810 /nfs/dbraw/zinc/33/58/10/1008335810.db2.gz QDBTWKCVMRRFFE-QUCCMNQESA-N 2 1 404.624 3.837 20 0 HHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCCOc3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000540244035 1008350253 /nfs/dbraw/zinc/35/02/53/1008350253.db2.gz GHDDOYFXGGZRPS-KDURUIRLSA-N 2 1 410.986 3.699 20 0 HHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCCOc3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000540244035 1008350258 /nfs/dbraw/zinc/35/02/58/1008350258.db2.gz GHDDOYFXGGZRPS-KDURUIRLSA-N 2 1 410.986 3.699 20 0 HHADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000518713032 1008400525 /nfs/dbraw/zinc/40/05/25/1008400525.db2.gz LSUAASXUXFZBTJ-IBGZPJMESA-N 2 1 401.530 3.774 20 0 HHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000518713032 1008400529 /nfs/dbraw/zinc/40/05/29/1008400529.db2.gz LSUAASXUXFZBTJ-IBGZPJMESA-N 2 1 401.530 3.774 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NC(=O)Nc2ccc(C)cc2C)cc1 ZINC000540467784 1008442793 /nfs/dbraw/zinc/44/27/93/1008442793.db2.gz WSNRBTJXHLWQEZ-KRWDZBQOSA-N 2 1 405.502 3.796 20 0 HHADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC2([NH+](C)C)CCCC2)CC1 ZINC000545459382 1008570961 /nfs/dbraw/zinc/57/09/61/1008570961.db2.gz SUSNAIDEDDQQLN-UHFFFAOYSA-N 2 1 422.411 3.826 20 0 HHADMP C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000543065384 1008642758 /nfs/dbraw/zinc/64/27/58/1008642758.db2.gz LLAROCAWANKXBM-KRWDZBQOSA-N 2 1 400.567 3.606 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)c2cc1C ZINC000549168048 1008741439 /nfs/dbraw/zinc/74/14/39/1008741439.db2.gz ZGJZBMMFJCSMLP-RDGATRHJSA-N 2 1 420.601 3.904 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)c2cc1C ZINC000549168048 1008741454 /nfs/dbraw/zinc/74/14/54/1008741454.db2.gz ZGJZBMMFJCSMLP-RDGATRHJSA-N 2 1 420.601 3.904 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)[NH+](C)C)cc1 ZINC000519344214 1008748932 /nfs/dbraw/zinc/74/89/32/1008748932.db2.gz XQJVFIFPPFRDIB-HSZRJFAPSA-N 2 1 412.553 3.654 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)[NH+](C)C)cc1 ZINC000519344214 1008748942 /nfs/dbraw/zinc/74/89/42/1008748942.db2.gz XQJVFIFPPFRDIB-HSZRJFAPSA-N 2 1 412.553 3.654 20 0 HHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000549209379 1008781148 /nfs/dbraw/zinc/78/11/48/1008781148.db2.gz MIEMJSTVYNLXSR-GOTSBHOMSA-N 2 1 412.622 3.947 20 0 HHADMP CC[NH+]1CCC(n2nccc2NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000543290251 1008863787 /nfs/dbraw/zinc/86/37/87/1008863787.db2.gz WXIJCCCNUFWVBX-IBGZPJMESA-N 2 1 424.593 3.985 20 0 HHADMP COc1cc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c(-c2ccccc2)cc1OC ZINC000519721554 1008976776 /nfs/dbraw/zinc/97/67/76/1008976776.db2.gz HWJDANXPKXCWSF-UHFFFAOYSA-N 2 1 411.590 3.829 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N(C)CCC[NH+]2CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000543399205 1008990333 /nfs/dbraw/zinc/99/03/33/1008990333.db2.gz INBPCXUFZDVFRL-RTWAWAEBSA-N 2 1 408.537 3.616 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N(C)CCC[NH+]2CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000543399205 1008990352 /nfs/dbraw/zinc/99/03/52/1008990352.db2.gz INBPCXUFZDVFRL-RTWAWAEBSA-N 2 1 408.537 3.616 20 0 HHADMP Cc1cc([C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c2cccnc2)ccc1F ZINC000543424178 1009015613 /nfs/dbraw/zinc/01/56/13/1009015613.db2.gz OHCUTSLLFJIXQW-XMMPIXPASA-N 2 1 420.532 3.700 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000545954386 1009016758 /nfs/dbraw/zinc/01/67/58/1009016758.db2.gz BLQHPYXTOMYXSW-PWHSHALESA-N 2 1 405.542 3.561 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000545954386 1009016780 /nfs/dbraw/zinc/01/67/80/1009016780.db2.gz BLQHPYXTOMYXSW-PWHSHALESA-N 2 1 405.542 3.561 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000546009692 1009044812 /nfs/dbraw/zinc/04/48/12/1009044812.db2.gz HUDXLXCCRYAEBV-CBGDNZLLSA-N 2 1 411.571 3.795 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000546009692 1009044823 /nfs/dbraw/zinc/04/48/23/1009044823.db2.gz HUDXLXCCRYAEBV-CBGDNZLLSA-N 2 1 411.571 3.795 20 0 HHADMP C[C@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543459990 1009045269 /nfs/dbraw/zinc/04/52/69/1009045269.db2.gz FOLAJSXTUSOHRO-BBTUJRGHSA-N 2 1 424.545 3.793 20 0 HHADMP C[C@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543459990 1009045285 /nfs/dbraw/zinc/04/52/85/1009045285.db2.gz FOLAJSXTUSOHRO-BBTUJRGHSA-N 2 1 424.545 3.793 20 0 HHADMP C/C=C/c1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(OC)c1 ZINC000543463361 1009050384 /nfs/dbraw/zinc/05/03/84/1009050384.db2.gz KUBWUUJQIOGSQW-DHCWPECDSA-N 2 1 402.579 3.711 20 0 HHADMP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549593330 1009220388 /nfs/dbraw/zinc/22/03/88/1009220388.db2.gz YJTGAIDBIZRVJW-QFIPXVFZSA-N 2 1 412.578 3.654 20 0 HHADMP C[C@@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000520207938 1009343190 /nfs/dbraw/zinc/34/31/90/1009343190.db2.gz HOADTKAGINHPBK-IEBWSBKVSA-N 2 1 414.981 3.773 20 0 HHADMP O=C(c1ccccc1)N1CC[C@H](C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000549718876 1009346972 /nfs/dbraw/zinc/34/69/72/1009346972.db2.gz FRFPJISJVGHJOP-QLBJFCOMSA-N 2 1 403.570 3.603 20 0 HHADMP O=C(c1ccccc1)N1CC[C@H](C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000549718876 1009346986 /nfs/dbraw/zinc/34/69/86/1009346986.db2.gz FRFPJISJVGHJOP-QLBJFCOMSA-N 2 1 403.570 3.603 20 0 HHADMP O=C(c1ccccc1)N1CC[C@H](C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000549718876 1009346995 /nfs/dbraw/zinc/34/69/95/1009346995.db2.gz FRFPJISJVGHJOP-QLBJFCOMSA-N 2 1 403.570 3.603 20 0 HHADMP CSc1ccc(C[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000520297184 1009420993 /nfs/dbraw/zinc/42/09/93/1009420993.db2.gz MWYDUONTWBFFGO-UHFFFAOYSA-N 2 1 417.644 3.930 20 0 HHADMP CC[NH+](CC)[C@@H](C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1)c1ccccc1 ZINC000520372277 1009508578 /nfs/dbraw/zinc/50/85/78/1009508578.db2.gz IQOZTIVFEDTCQL-HSZRJFAPSA-N 2 1 412.578 3.703 20 0 HHADMP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000544002973 1009604288 /nfs/dbraw/zinc/60/42/88/1009604288.db2.gz SRRVFVKPBYCZDB-QAPCUYQASA-N 2 1 423.623 3.969 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)C1 ZINC000520613116 1009688755 /nfs/dbraw/zinc/68/87/55/1009688755.db2.gz RNAFPBWXBQDZTO-SFTDATJTSA-N 2 1 400.611 3.981 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000520613116 1009688768 /nfs/dbraw/zinc/68/87/68/1009688768.db2.gz RNAFPBWXBQDZTO-SFTDATJTSA-N 2 1 400.611 3.981 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000520613116 1009688784 /nfs/dbraw/zinc/68/87/84/1009688784.db2.gz RNAFPBWXBQDZTO-SFTDATJTSA-N 2 1 400.611 3.981 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1F ZINC000520754976 1009824369 /nfs/dbraw/zinc/82/43/69/1009824369.db2.gz JBVBIIIGCIYCIJ-KRWDZBQOSA-N 2 1 421.520 3.566 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)cc1F ZINC000520754976 1009824381 /nfs/dbraw/zinc/82/43/81/1009824381.db2.gz JBVBIIIGCIYCIJ-KRWDZBQOSA-N 2 1 421.520 3.566 20 0 HHADMP c1ccc(C[N@@H+]2CCO[C@@H](c3nc(-c4ccc(C[NH+]5CCCC5)cc4)no3)C2)cc1 ZINC000546944454 1009901976 /nfs/dbraw/zinc/90/19/76/1009901976.db2.gz XHSWXGNUYAGEAF-JOCHJYFZSA-N 2 1 404.514 3.906 20 0 HHADMP c1ccc(C[N@H+]2CCO[C@@H](c3nc(-c4ccc(C[NH+]5CCCC5)cc4)no3)C2)cc1 ZINC000546944454 1009901991 /nfs/dbraw/zinc/90/19/91/1009901991.db2.gz XHSWXGNUYAGEAF-JOCHJYFZSA-N 2 1 404.514 3.906 20 0 HHADMP C[N@@H+]1CCCN(c2ccc(-c3noc([C@H]4CCC[NH+]4Cc4ccccc4)n3)cn2)CC1 ZINC000547061561 1010015219 /nfs/dbraw/zinc/01/52/19/1010015219.db2.gz AWELOTAXUOPKIW-OAQYLSRUSA-N 2 1 418.545 3.611 20 0 HHADMP C[N@H+]1CCCN(c2ccc(-c3noc([C@H]4CCC[NH+]4Cc4ccccc4)n3)cn2)CC1 ZINC000547061561 1010015236 /nfs/dbraw/zinc/01/52/36/1010015236.db2.gz AWELOTAXUOPKIW-OAQYLSRUSA-N 2 1 418.545 3.611 20 0 HHADMP C[NH+]1CCCN(c2ccc(-c3noc([C@H]4CCC[N@@H+]4Cc4ccccc4)n3)cn2)CC1 ZINC000547061561 1010015249 /nfs/dbraw/zinc/01/52/49/1010015249.db2.gz AWELOTAXUOPKIW-OAQYLSRUSA-N 2 1 418.545 3.611 20 0 HHADMP C[NH+]1CCCN(c2ccc(-c3noc([C@H]4CCC[N@H+]4Cc4ccccc4)n3)cn2)CC1 ZINC000547061561 1010015263 /nfs/dbraw/zinc/01/52/63/1010015263.db2.gz AWELOTAXUOPKIW-OAQYLSRUSA-N 2 1 418.545 3.611 20 0 HHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ncc(Br)cc1Br ZINC000544406920 1010026132 /nfs/dbraw/zinc/02/61/32/1010026132.db2.gz SICCKBUFPCEUJF-JTQLQIEISA-N 2 1 402.134 3.537 20 0 HHADMP Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544420227 1010037236 /nfs/dbraw/zinc/03/72/36/1010037236.db2.gz YOZCJKWADQJITA-NQIIRXRSSA-N 2 1 423.605 3.979 20 0 HHADMP Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544420227 1010037252 /nfs/dbraw/zinc/03/72/52/1010037252.db2.gz YOZCJKWADQJITA-NQIIRXRSSA-N 2 1 423.605 3.979 20 0 HHADMP C[C@@H]([NH2+]CCN1c2cccc3cccc(c23)S1(=O)=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544419734 1010037687 /nfs/dbraw/zinc/03/76/87/1010037687.db2.gz LFDMBIOYPJZDRY-MJGOQNOKSA-N 2 1 413.587 3.591 20 0 HHADMP C[C@@H]([NH2+]CCN1c2cccc3cccc(c23)S1(=O)=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544419734 1010037694 /nfs/dbraw/zinc/03/76/94/1010037694.db2.gz LFDMBIOYPJZDRY-MJGOQNOKSA-N 2 1 413.587 3.591 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544422032 1010042909 /nfs/dbraw/zinc/04/29/09/1010042909.db2.gz QFBYDDVGSZLVQQ-XLIONFOSSA-N 2 1 409.578 3.670 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544422032 1010042924 /nfs/dbraw/zinc/04/29/24/1010042924.db2.gz QFBYDDVGSZLVQQ-XLIONFOSSA-N 2 1 409.578 3.670 20 0 HHADMP CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000544424465 1010045911 /nfs/dbraw/zinc/04/59/11/1010045911.db2.gz GZPUDFDSGNXGOC-PTLVVNQVSA-N 2 1 413.606 3.991 20 0 HHADMP CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000544424465 1010045927 /nfs/dbraw/zinc/04/59/27/1010045927.db2.gz GZPUDFDSGNXGOC-PTLVVNQVSA-N 2 1 413.606 3.991 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)CC1 ZINC000521092141 1010109328 /nfs/dbraw/zinc/10/93/28/1010109328.db2.gz KCUVIAYQZNREDP-CABCVRRESA-N 2 1 405.329 3.882 20 0 HHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000550785195 1010174179 /nfs/dbraw/zinc/17/41/79/1010174179.db2.gz PPLSFDUXZZWWMU-WBVHZDCISA-N 2 1 407.377 3.854 20 0 HHADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000544622801 1010245980 /nfs/dbraw/zinc/24/59/80/1010245980.db2.gz UEIJPOCTXQQMEZ-PMACEKPBSA-N 2 1 400.611 3.790 20 0 HHADMP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](c2ccc(Br)o2)c2ccc(F)cc2)CC1 ZINC000551007128 1010313752 /nfs/dbraw/zinc/31/37/52/1010313752.db2.gz LPJCNKPOBMUILX-MGPUTAFESA-N 2 1 424.358 3.886 20 0 HHADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC000544710098 1010318922 /nfs/dbraw/zinc/31/89/22/1010318922.db2.gz PRLFYNOGUXVSKI-OAQYLSRUSA-N 2 1 402.970 3.743 20 0 HHADMP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000521349702 1010324924 /nfs/dbraw/zinc/32/49/24/1010324924.db2.gz SHYMKDCICNLTGL-QFIPXVFZSA-N 2 1 419.013 3.868 20 0 HHADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CCN(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547511428 1010334573 /nfs/dbraw/zinc/33/45/73/1010334573.db2.gz FUJKBGHDXLUKQY-ACIOBRDBSA-N 2 1 412.647 3.537 20 0 HHADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000547822283 1010439551 /nfs/dbraw/zinc/43/95/51/1010439551.db2.gz FDABLCNGKLOPRG-QFIPXVFZSA-N 2 1 422.598 3.897 20 0 HHADMP CC(C)CCn1nccc1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000547994811 1010501086 /nfs/dbraw/zinc/50/10/86/1010501086.db2.gz URYUNHRRWYWAEW-UHFFFAOYSA-N 2 1 418.630 3.589 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155802 1010547417 /nfs/dbraw/zinc/54/74/17/1010547417.db2.gz FPTKCINGKTWORH-UFPGJGBJSA-N 2 1 407.602 3.908 20 0 HHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(Cc1ccncc1)C[C@H]1CCC[NH+]1CC ZINC000521785513 1010616681 /nfs/dbraw/zinc/61/66/81/1010616681.db2.gz NHOHERAYIKLXDA-DHIUTWEWSA-N 2 1 415.626 3.732 20 0 HHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@@H+]1CC ZINC000521785513 1010616693 /nfs/dbraw/zinc/61/66/93/1010616693.db2.gz NHOHERAYIKLXDA-DHIUTWEWSA-N 2 1 415.626 3.732 20 0 HHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC ZINC000521785513 1010616703 /nfs/dbraw/zinc/61/67/03/1010616703.db2.gz NHOHERAYIKLXDA-DHIUTWEWSA-N 2 1 415.626 3.732 20 0 HHADMP C[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483576 1010641672 /nfs/dbraw/zinc/64/16/72/1010641672.db2.gz NTVDOZVBVNGJNH-LDQXTDLNSA-N 2 1 403.364 3.983 20 0 HHADMP C[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483576 1010641676 /nfs/dbraw/zinc/64/16/76/1010641676.db2.gz NTVDOZVBVNGJNH-LDQXTDLNSA-N 2 1 403.364 3.983 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCN1C(=O)c2ccccc2C1=O ZINC000548487507 1010643926 /nfs/dbraw/zinc/64/39/26/1010643926.db2.gz IAXXYSLDOSNDRJ-XXBNENTESA-N 2 1 405.542 3.563 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCN1C(=O)c2ccccc2C1=O ZINC000548487507 1010643931 /nfs/dbraw/zinc/64/39/31/1010643931.db2.gz IAXXYSLDOSNDRJ-XXBNENTESA-N 2 1 405.542 3.563 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(I)c2)[C@@H](C)C1 ZINC000551537455 1010645521 /nfs/dbraw/zinc/64/55/21/1010645521.db2.gz JGJXLFCOZLUTBK-YJBOKZPZSA-N 2 1 416.347 3.518 20 0 HHADMP C[C@@]1(C2CC2)NC(=O)N(c2cccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)c2)C1=O ZINC000551571136 1010669076 /nfs/dbraw/zinc/66/90/76/1010669076.db2.gz RIGSIQZLMXTTGW-VWLOTQADSA-N 2 1 424.589 3.798 20 0 HHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000522048954 1010778108 /nfs/dbraw/zinc/77/81/08/1010778108.db2.gz HSRBPTIWPJAPJF-JTHBVZDNSA-N 2 1 414.638 3.751 20 0 HHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000522048954 1010778116 /nfs/dbraw/zinc/77/81/16/1010778116.db2.gz HSRBPTIWPJAPJF-JTHBVZDNSA-N 2 1 414.638 3.751 20 0 HHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000522048954 1010778123 /nfs/dbraw/zinc/77/81/23/1010778123.db2.gz HSRBPTIWPJAPJF-JTHBVZDNSA-N 2 1 414.638 3.751 20 0 HHADMP O=C(NCCCCC[NH+]1CCCCC1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000522065955 1010788038 /nfs/dbraw/zinc/78/80/38/1010788038.db2.gz JDBNDAZMKILZOY-UHFFFAOYSA-N 2 1 414.638 3.993 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(Cl)ccc2Br)CC1 ZINC000522172659 1010846516 /nfs/dbraw/zinc/84/65/16/1010846516.db2.gz IBOMITDUHICBPZ-UHFFFAOYSA-N 2 1 409.715 3.502 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000522174744 1010847042 /nfs/dbraw/zinc/84/70/42/1010847042.db2.gz QFZPGSGTIRZTRK-UHFFFAOYSA-N 2 1 407.002 3.679 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000522174744 1010847051 /nfs/dbraw/zinc/84/70/51/1010847051.db2.gz QFZPGSGTIRZTRK-UHFFFAOYSA-N 2 1 407.002 3.679 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000522277649 1010900463 /nfs/dbraw/zinc/90/04/63/1010900463.db2.gz SHUHSXYKKXLZPX-FGZHOGPDSA-N 2 1 410.562 3.689 20 0 HHADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000522293958 1010911345 /nfs/dbraw/zinc/91/13/45/1010911345.db2.gz QABWPCRQIQIGEF-XMMPIXPASA-N 2 1 406.574 3.746 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1F ZINC000522429566 1011004382 /nfs/dbraw/zinc/00/43/82/1011004382.db2.gz YGWJSBRKYUBIJG-IAGOWNOFSA-N 2 1 415.557 3.876 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000522603825 1011106027 /nfs/dbraw/zinc/10/60/27/1011106027.db2.gz CTUJQLQVLOZTSY-GBXCKJPGSA-N 2 1 406.574 3.910 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000522603825 1011106028 /nfs/dbraw/zinc/10/60/28/1011106028.db2.gz CTUJQLQVLOZTSY-GBXCKJPGSA-N 2 1 406.574 3.910 20 0 HHADMP C[C@H](c1ccc(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1)[NH+]1CCOCC1 ZINC000522786991 1011220215 /nfs/dbraw/zinc/22/02/15/1011220215.db2.gz ZOUZYFUCLJGLQK-DENIHFKCSA-N 2 1 400.567 3.562 20 0 HHADMP CC[NH+](CC)CCOc1ccc(NC(=O)NCC[N@@H+]2CCc3sccc3C2)cc1 ZINC000522839218 1011276073 /nfs/dbraw/zinc/27/60/73/1011276073.db2.gz PSUWBJGLGWFMQT-UHFFFAOYSA-N 2 1 416.591 3.649 20 0 HHADMP CC[NH+](CC)CCOc1ccc(NC(=O)NCC[N@H+]2CCc3sccc3C2)cc1 ZINC000522839218 1011276082 /nfs/dbraw/zinc/27/60/82/1011276082.db2.gz PSUWBJGLGWFMQT-UHFFFAOYSA-N 2 1 416.591 3.649 20 0 HHADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCC[C@H]3c3ccc(C(F)(F)F)cc3)cn2)CC1 ZINC000540732829 1011383830 /nfs/dbraw/zinc/38/38/30/1011383830.db2.gz FPLCSYKBXBLSGC-PMACEKPBSA-N 2 1 419.495 3.673 20 0 HHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000522962601 1011410175 /nfs/dbraw/zinc/41/01/75/1011410175.db2.gz LGUFVWCWINZARY-SFHVURJKSA-N 2 1 402.970 3.733 20 0 HHADMP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1nc(-c2ccccc2)cs1 ZINC000540788768 1011449035 /nfs/dbraw/zinc/44/90/35/1011449035.db2.gz HEURMRZWTMKTTP-RXVVDRJESA-N 2 1 422.598 3.750 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cnn(Cc2ccccc2)c1 ZINC000540991193 1011624029 /nfs/dbraw/zinc/62/40/29/1011624029.db2.gz DVEJJDSQVLEDFR-CJFMBICVSA-N 2 1 404.558 3.739 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC(=O)Nc2ccccc2F)cc1 ZINC000541026760 1011661760 /nfs/dbraw/zinc/66/17/60/1011661760.db2.gz DMXLZUPIQLNWKE-LSDHHAIUSA-N 2 1 409.465 3.707 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000523219410 1011707902 /nfs/dbraw/zinc/70/79/02/1011707902.db2.gz XIWXWZZKPFIHLN-RPWUZVMVSA-N 2 1 423.605 3.689 20 0 HHADMP CCCC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000523335844 1011810987 /nfs/dbraw/zinc/81/09/87/1011810987.db2.gz YWFDDFHALYEPFI-FQEVSTJZSA-N 2 1 400.611 3.982 20 0 HHADMP CCc1cnc(N2CC[NH+](Cc3ccccc3N(C)C3CC[NH+](C)CC3)CC2)s1 ZINC000536673112 1011832212 /nfs/dbraw/zinc/83/22/12/1011832212.db2.gz RUJADLKNPFJKMC-UHFFFAOYSA-N 2 1 413.635 3.558 20 0 HHADMP CC[N@H+](CCC1CC[NH+]([C@H](C)c2nc(N)nc(Nc3ccccc3)n2)CC1)CC1CC1 ZINC000536737727 1011918628 /nfs/dbraw/zinc/91/86/28/1011918628.db2.gz SIJVPWGLKDYQDZ-GOSISDBHSA-N 2 1 423.609 3.514 20 0 HHADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)c2nc(N)nc(Nc3ccccc3)n2)CC1)CC1CC1 ZINC000536737727 1011918641 /nfs/dbraw/zinc/91/86/41/1011918641.db2.gz SIJVPWGLKDYQDZ-GOSISDBHSA-N 2 1 423.609 3.514 20 0 HHADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2sccc2Br)CC1 ZINC000523437527 1011928222 /nfs/dbraw/zinc/92/82/22/1011928222.db2.gz TUFWIIIULGKGOZ-UHFFFAOYSA-N 2 1 416.429 3.571 20 0 HHADMP Cc1ccc(NC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000523445354 1011940379 /nfs/dbraw/zinc/94/03/79/1011940379.db2.gz GXWPMZSHZPIYDH-CTNGQTDRSA-N 2 1 410.562 3.892 20 0 HHADMP CC1CC[NH+](CCCNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000523470794 1011979649 /nfs/dbraw/zinc/97/96/49/1011979649.db2.gz OVXXHIIJUDHDGT-FYYLOGMGSA-N 2 1 400.611 3.803 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)Cc1ccccc1 ZINC000523482679 1011995277 /nfs/dbraw/zinc/99/52/77/1011995277.db2.gz KJEXHFVXTMRYNS-QHCPKHFHSA-N 2 1 400.611 3.599 20 0 HHADMP CCCN(C(=O)NC[C@@H](c1ccco1)[NH+](C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000523520713 1012047889 /nfs/dbraw/zinc/04/78/89/1012047889.db2.gz XVFXDQMQPWCCEL-YADHBBJMSA-N 2 1 412.578 3.969 20 0 HHADMP CCCN(C(=O)NC[C@@H](c1ccco1)[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000523520713 1012047905 /nfs/dbraw/zinc/04/79/05/1012047905.db2.gz XVFXDQMQPWCCEL-YADHBBJMSA-N 2 1 412.578 3.969 20 0 HHADMP CNC(=O)COc1cccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000552032933 1012057452 /nfs/dbraw/zinc/05/74/52/1012057452.db2.gz CYAKTGTVYDLBDL-ICDZXHCJSA-N 2 1 421.585 3.592 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)C1 ZINC000536839938 1012069959 /nfs/dbraw/zinc/06/99/59/1012069959.db2.gz QUOQWBFKILQIPU-QHAWAJNXSA-N 2 1 411.590 3.942 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(N[C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)c1 ZINC000552071111 1012088943 /nfs/dbraw/zinc/08/89/43/1012088943.db2.gz PWDMMXZFFUSAJR-HOQQESESSA-N 2 1 402.558 3.923 20 0 HHADMP C[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc(F)c(N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000552071111 1012088961 /nfs/dbraw/zinc/08/89/61/1012088961.db2.gz PWDMMXZFFUSAJR-HOQQESESSA-N 2 1 402.558 3.923 20 0 HHADMP C[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc(F)c(N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000552071111 1012088982 /nfs/dbraw/zinc/08/89/82/1012088982.db2.gz PWDMMXZFFUSAJR-HOQQESESSA-N 2 1 402.558 3.923 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000552101300 1012118738 /nfs/dbraw/zinc/11/87/38/1012118738.db2.gz LFYDMHKQBMDTHI-ROUUACIJSA-N 2 1 403.533 3.620 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000552101299 1012118804 /nfs/dbraw/zinc/11/88/04/1012118804.db2.gz LFYDMHKQBMDTHI-QZTJIDSGSA-N 2 1 403.533 3.620 20 0 HHADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000552110849 1012126725 /nfs/dbraw/zinc/12/67/25/1012126725.db2.gz DHTVGCNCIOMYGW-RUZDIDTESA-N 2 1 401.558 3.911 20 0 HHADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000552110849 1012126733 /nfs/dbraw/zinc/12/67/33/1012126733.db2.gz DHTVGCNCIOMYGW-RUZDIDTESA-N 2 1 401.558 3.911 20 0 HHADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000552110849 1012126738 /nfs/dbraw/zinc/12/67/38/1012126738.db2.gz DHTVGCNCIOMYGW-RUZDIDTESA-N 2 1 401.558 3.911 20 0 HHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000552110849 1012126740 /nfs/dbraw/zinc/12/67/40/1012126740.db2.gz DHTVGCNCIOMYGW-RUZDIDTESA-N 2 1 401.558 3.911 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000536893111 1012145472 /nfs/dbraw/zinc/14/54/72/1012145472.db2.gz KKTHKURJUPMKCL-XZOQPEGZSA-N 2 1 401.570 3.584 20 0 HHADMP Cc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)[NH+]2CCCC2)o1 ZINC000523645257 1012236019 /nfs/dbraw/zinc/23/60/19/1012236019.db2.gz MCZMPTRNYFCAAG-APWZRJJASA-N 2 1 416.591 3.532 20 0 HHADMP Cc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)[NH+]2CCCC2)o1 ZINC000523645257 1012236035 /nfs/dbraw/zinc/23/60/35/1012236035.db2.gz MCZMPTRNYFCAAG-APWZRJJASA-N 2 1 416.591 3.532 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000536951181 1012250635 /nfs/dbraw/zinc/25/06/35/1012250635.db2.gz NXRSQNIHTSVDJY-CEXWTWQISA-N 2 1 415.603 3.663 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000536951181 1012250652 /nfs/dbraw/zinc/25/06/52/1012250652.db2.gz NXRSQNIHTSVDJY-CEXWTWQISA-N 2 1 415.603 3.663 20 0 HHADMP CS[C@@H](CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000541486333 1012259478 /nfs/dbraw/zinc/25/94/78/1012259478.db2.gz QENLUBVVOAQWIX-FQEVSTJZSA-N 2 1 412.688 3.602 20 0 HHADMP CC(=O)N1CC[NH+](CCOc2ccc(CC[NH2+][C@H](c3ccccc3)C(C)C)cc2)CC1 ZINC000536999642 1012301545 /nfs/dbraw/zinc/30/15/45/1012301545.db2.gz VSPZKHNDTBPLAU-SANMLTNESA-N 2 1 423.601 3.759 20 0 HHADMP C[C@@H](CCNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)[NH+]1CCCCC1 ZINC000541522687 1012304845 /nfs/dbraw/zinc/30/48/45/1012304845.db2.gz XJXATAOCXPQTDA-WIOPSUGQSA-N 2 1 412.622 3.949 20 0 HHADMP Brc1cnn(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000552332471 1012340837 /nfs/dbraw/zinc/34/08/37/1012340837.db2.gz SYUMKGLYQHJMPI-YSIASYRMSA-N 2 1 403.368 3.536 20 0 HHADMP C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541600069 1012395339 /nfs/dbraw/zinc/39/53/39/1012395339.db2.gz XGFZXSSLXXZBGC-RYRKJORJSA-N 2 1 422.411 3.869 20 0 HHADMP C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541600069 1012395360 /nfs/dbraw/zinc/39/53/60/1012395360.db2.gz XGFZXSSLXXZBGC-RYRKJORJSA-N 2 1 422.411 3.869 20 0 HHADMP C[C@H](NC(=O)[C@H]1C[NH+](Cc2ccccc2)CCC1(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000552420891 1012438113 /nfs/dbraw/zinc/43/81/13/1012438113.db2.gz YAOFOFDUAIEQIW-CZTZKLFOSA-N 2 1 419.560 3.913 20 0 HHADMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)c1nccn1C ZINC000537105086 1012472827 /nfs/dbraw/zinc/47/28/27/1012472827.db2.gz LUHUINARLUSDFW-XMMPIXPASA-N 2 1 403.574 3.983 20 0 HHADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000523905149 1012619399 /nfs/dbraw/zinc/61/93/99/1012619399.db2.gz KVFGXQFDTBPRSK-RUZDIDTESA-N 2 1 422.617 3.509 20 0 HHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000541915587 1012774170 /nfs/dbraw/zinc/77/41/70/1012774170.db2.gz RTAIOKZIVIBDEI-FPCALVHFSA-N 3 1 419.613 3.644 20 0 HHADMP O[C@@H]1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000541915587 1012774186 /nfs/dbraw/zinc/77/41/86/1012774186.db2.gz RTAIOKZIVIBDEI-FPCALVHFSA-N 3 1 419.613 3.644 20 0 HHADMP O[C@@H]1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000541915587 1012774204 /nfs/dbraw/zinc/77/42/04/1012774204.db2.gz RTAIOKZIVIBDEI-FPCALVHFSA-N 3 1 419.613 3.644 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(NC(=O)NC2CC2)cc1 ZINC000541915892 1012775309 /nfs/dbraw/zinc/77/53/09/1012775309.db2.gz FCPHYROYVWQFFE-UUOWRZLLSA-N 2 1 422.573 3.778 20 0 HHADMP O=C1Nc2ccccc2C12CCC([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CC2 ZINC000541917859 1012776580 /nfs/dbraw/zinc/77/65/80/1012776580.db2.gz GITFKLJQZGWEJI-GUXMJAIHSA-N 2 1 419.569 3.566 20 0 HHADMP COc1cc(OC)c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1Cl ZINC000541918683 1012777753 /nfs/dbraw/zinc/77/77/53/1012777753.db2.gz JKABYYWDWKXXQO-QAPCUYQASA-N 2 1 404.938 3.775 20 0 HHADMP C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000524135681 1012919905 /nfs/dbraw/zinc/91/99/05/1012919905.db2.gz NXWIYMGSSHLPSO-XPNTWCBSSA-N 2 1 400.611 3.801 20 0 HHADMP CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000524160574 1012953164 /nfs/dbraw/zinc/95/31/64/1012953164.db2.gz DGRYZYAYYOHXNT-BZSNNMDCSA-N 2 1 405.608 3.557 20 0 HHADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(Cl)cc2Br)cc1 ZINC000537506644 1013018979 /nfs/dbraw/zinc/01/89/79/1013018979.db2.gz VUKUKKWBJUFAOT-UHFFFAOYSA-N 2 1 424.770 3.684 20 0 HHADMP C[NH+](C)[C@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1ccc(Cl)cc1 ZINC001127000239 1071984144 /nfs/dbraw/zinc/98/41/44/1071984144.db2.gz AWLPTHHHBQRPPR-NRFANRHFSA-N 2 1 415.969 3.507 20 0 HHADMP C[NH+](C)C1CCC([N@@H+]2CC(F)(F)CC23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001168313391 1072494609 /nfs/dbraw/zinc/49/46/09/1072494609.db2.gz BHAFZIZRNHQKBH-UHFFFAOYSA-N 2 1 401.542 3.970 20 0 HHADMP C[NH+](C)C1CCC([N@H+]2CC(F)(F)CC23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001168313391 1072494613 /nfs/dbraw/zinc/49/46/13/1072494613.db2.gz BHAFZIZRNHQKBH-UHFFFAOYSA-N 2 1 401.542 3.970 20 0 HHADMP COc1ccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c(OC(F)(F)F)c1 ZINC001212145620 1072561413 /nfs/dbraw/zinc/56/14/13/1072561413.db2.gz ZGKMNSSNZNMWPU-AWEZNQCLSA-N 2 1 402.417 3.812 20 0 HHADMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[NH+]1CCC2(CCCCC2)CC1 ZINC000588169709 1072876462 /nfs/dbraw/zinc/87/64/62/1072876462.db2.gz DNUHWIQUZRYMFU-NRFANRHFSA-N 2 1 413.606 3.570 20 0 HHADMP CC[N@H+](CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)C(C)C ZINC000588279221 1072988962 /nfs/dbraw/zinc/98/89/62/1072988962.db2.gz YBEBCEJGEARCDH-OAQYLSRUSA-N 2 1 414.619 3.877 20 0 HHADMP CC[N@@H+](CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)C(C)C ZINC000588279221 1072988966 /nfs/dbraw/zinc/98/89/66/1072988966.db2.gz YBEBCEJGEARCDH-OAQYLSRUSA-N 2 1 414.619 3.877 20 0 HHADMP CC[NH+](CCNC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)C(C)C ZINC000588279221 1072988970 /nfs/dbraw/zinc/98/89/70/1072988970.db2.gz YBEBCEJGEARCDH-OAQYLSRUSA-N 2 1 414.619 3.877 20 0 HHADMP CC[NH+](CCNC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)C(C)C ZINC000588279221 1072988976 /nfs/dbraw/zinc/98/89/76/1072988976.db2.gz YBEBCEJGEARCDH-OAQYLSRUSA-N 2 1 414.619 3.877 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+]([C@@H](C(=O)N3CCCCC3)c3ccccc3)CC2)C[C@H](C)O1 ZINC000588709511 1073155956 /nfs/dbraw/zinc/15/59/56/1073155956.db2.gz CBUFWLLZRMZQKJ-ZFGGDYGUSA-N 2 1 413.606 3.561 20 0 HHADMP CC(C)C[C@H](NC(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000588711239 1073156558 /nfs/dbraw/zinc/15/65/58/1073156558.db2.gz XLLOTKHHBWEZJJ-IMSXRSKXSA-N 2 1 415.622 3.711 20 0 HHADMP CC(C)C[C@H](NC(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000588711239 1073156562 /nfs/dbraw/zinc/15/65/62/1073156562.db2.gz XLLOTKHHBWEZJJ-IMSXRSKXSA-N 2 1 415.622 3.711 20 0 HHADMP CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc21 ZINC000555169105 1073213951 /nfs/dbraw/zinc/21/39/51/1073213951.db2.gz AXLBWGLNZURNHQ-BJKOFHAPSA-N 2 1 408.542 3.790 20 0 HHADMP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000589078034 1073417573 /nfs/dbraw/zinc/41/75/73/1073417573.db2.gz VOLLKEYZKAAUJR-HXUWFJFHSA-N 2 1 415.419 3.660 20 0 HHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000600428117 1073874727 /nfs/dbraw/zinc/87/47/27/1073874727.db2.gz VJQFFDYCTPUHBZ-IBGZPJMESA-N 2 1 403.636 3.866 20 0 HHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000600428127 1073875041 /nfs/dbraw/zinc/87/50/41/1073875041.db2.gz VJQFFDYCTPUHBZ-LJQANCHMSA-N 2 1 403.636 3.866 20 0 HHADMP CCc1nccn1C[C@@H]1CCCN1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000572985246 1073877739 /nfs/dbraw/zinc/87/77/39/1073877739.db2.gz FPIPBGSMEPNQLK-GOTSBHOMSA-N 2 1 423.605 3.922 20 0 HHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000572985246 1073877757 /nfs/dbraw/zinc/87/77/57/1073877757.db2.gz FPIPBGSMEPNQLK-GOTSBHOMSA-N 2 1 423.605 3.922 20 0 HHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000572985246 1073877770 /nfs/dbraw/zinc/87/77/70/1073877770.db2.gz FPIPBGSMEPNQLK-GOTSBHOMSA-N 2 1 423.605 3.922 20 0 HHADMP Cc1cccc([C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C(=O)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000555959407 1074005817 /nfs/dbraw/zinc/00/58/17/1074005817.db2.gz XYINLZGDKNIYRG-CAOCKLPOSA-N 2 1 405.586 3.669 20 0 HHADMP Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)NC[C@@H]2CCC[NH+](C)C2)c1 ZINC000555959407 1074005826 /nfs/dbraw/zinc/00/58/26/1074005826.db2.gz XYINLZGDKNIYRG-CAOCKLPOSA-N 2 1 405.586 3.669 20 0 HHADMP Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)NC[C@@H]2CCC[NH+](C)C2)c1 ZINC000555959407 1074005834 /nfs/dbraw/zinc/00/58/34/1074005834.db2.gz XYINLZGDKNIYRG-CAOCKLPOSA-N 2 1 405.586 3.669 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CN1C[C@H](c2ccccc2F)CC1=O ZINC000783993499 1074134447 /nfs/dbraw/zinc/13/44/47/1074134447.db2.gz MXJMBZNADHDXPO-HXUWFJFHSA-N 2 1 410.537 3.733 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000591426698 1074286219 /nfs/dbraw/zinc/28/62/19/1074286219.db2.gz OVDXLONTBXRLBF-FQEVSTJZSA-N 2 1 409.574 3.931 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000591447748 1074303372 /nfs/dbraw/zinc/30/33/72/1074303372.db2.gz YGAJWRIHZZGBTL-HXUWFJFHSA-N 2 1 401.595 3.790 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000591559443 1074408661 /nfs/dbraw/zinc/40/86/61/1074408661.db2.gz OQBUKCIKVBIITG-NRFANRHFSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@H]1CCC[NH+](CCCCNC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000591559443 1074408665 /nfs/dbraw/zinc/40/86/65/1074408665.db2.gz OQBUKCIKVBIITG-NRFANRHFSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@H]1CCC[NH+](CCCCNC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000591559443 1074408673 /nfs/dbraw/zinc/40/86/73/1074408673.db2.gz OQBUKCIKVBIITG-NRFANRHFSA-N 2 1 400.611 3.805 20 0 HHADMP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000573965608 1074745022 /nfs/dbraw/zinc/74/50/22/1074745022.db2.gz XVTYSLGHMIJOCG-HKRNCWMRSA-N 2 1 402.485 3.918 20 0 HHADMP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000573965608 1074745027 /nfs/dbraw/zinc/74/50/27/1074745027.db2.gz XVTYSLGHMIJOCG-HKRNCWMRSA-N 2 1 402.485 3.918 20 0 HHADMP CC[C@H](CNC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000593500089 1075204813 /nfs/dbraw/zinc/20/48/13/1075204813.db2.gz LSINLJXYZBAQJB-HSZRJFAPSA-N 2 1 424.589 3.976 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000593502579 1075205563 /nfs/dbraw/zinc/20/55/63/1075205563.db2.gz UJMDQAYRNKSMSV-UGKGYDQZSA-N 2 1 410.562 3.974 20 0 HHADMP CSC1(CNC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC[NH+](C)CC1 ZINC000574330527 1075222159 /nfs/dbraw/zinc/22/21/59/1075222159.db2.gz VPVFYIWZOVRAAH-IBGZPJMESA-N 2 1 418.651 3.545 20 0 HHADMP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000594967956 1075389080 /nfs/dbraw/zinc/38/90/80/1075389080.db2.gz SNXFPIAPXFQJDC-QHCPKHFHSA-N 2 1 406.574 3.699 20 0 HHADMP C[C@@H](CC[NH+](C)C)NC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000596420126 1075559547 /nfs/dbraw/zinc/55/95/47/1075559547.db2.gz LVKZGXHCXAOEQV-AWEZNQCLSA-N 2 1 401.382 3.597 20 0 HHADMP [NH3+][C@]12C[C@H]1CN(c1nc(C[NH+]3CCCCC3)nc3scc(-c4cccs4)c31)C2 ZINC001164418437 718888404 /nfs/dbraw/zinc/88/84/04/718888404.db2.gz NFGYQGBJAWHZKD-QKKBWIMNSA-N 2 1 411.600 3.943 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(-c2ncnc3cc(Cl)c(Cl)cc32)c2c1CC[NH2+]C2 ZINC001164684911 719631434 /nfs/dbraw/zinc/63/14/34/719631434.db2.gz YUIXIRVNJWDWRY-UHFFFAOYSA-N 2 1 405.333 3.608 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(-c2ncnc3cc(Cl)c(Cl)cc32)c2c1CC[NH2+]C2 ZINC001164684911 719631440 /nfs/dbraw/zinc/63/14/40/719631440.db2.gz YUIXIRVNJWDWRY-UHFFFAOYSA-N 2 1 405.333 3.608 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)Sc2ccc(Cl)nc2)c2c1CC[NH2+]C2 ZINC001164681817 719652479 /nfs/dbraw/zinc/65/24/79/719652479.db2.gz RDLYTAUFDIXCOO-UHFFFAOYSA-N 2 1 401.914 3.717 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)Sc2ccc(Cl)nc2)c2c1CC[NH2+]C2 ZINC001164681817 719652484 /nfs/dbraw/zinc/65/24/84/719652484.db2.gz RDLYTAUFDIXCOO-UHFFFAOYSA-N 2 1 401.914 3.717 20 0 HHADMP Cc1nc(C[N@H+]2CCCC23CCN(c2cc(Cl)nc4c2CC[NH2+]C4)CC3)cs1 ZINC001164692190 719812666 /nfs/dbraw/zinc/81/26/66/719812666.db2.gz NMPUBISGTFCLKD-UHFFFAOYSA-N 2 1 418.010 3.781 20 0 HHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N3CCCC3)cc[nH+]1)CC2 ZINC001164713050 720129191 /nfs/dbraw/zinc/12/91/91/720129191.db2.gz PNIWFSAKQIHASK-QHCPKHFHSA-N 2 1 421.589 3.584 20 0 HHADMP Cc1cc(N2CCCC2)nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH+]1 ZINC001164837087 720655992 /nfs/dbraw/zinc/65/59/92/720655992.db2.gz BOIXXYIYEVYEHP-QFIPXVFZSA-N 2 1 421.589 3.645 20 0 HHADMP Cc1[nH]c2nc[nH+]c(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2c1C ZINC001164843868 720693601 /nfs/dbraw/zinc/69/36/01/720693601.db2.gz ROAVCDKKAWXCNU-FQEVSTJZSA-N 2 1 405.546 3.835 20 0 HHADMP Cc1[nH]c2nc[nH+]c(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2c1C ZINC001164843868 720693606 /nfs/dbraw/zinc/69/36/06/720693606.db2.gz ROAVCDKKAWXCNU-FQEVSTJZSA-N 2 1 405.546 3.835 20 0 HHADMP Cc1cc(C)[nH+]c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164754497 720871049 /nfs/dbraw/zinc/87/10/49/720871049.db2.gz RYJDYAAFBJLMHS-NOZRDPDXSA-N 2 1 406.574 3.849 20 0 HHADMP Cc1c[nH+]c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(C)c1 ZINC001164756582 720889150 /nfs/dbraw/zinc/88/91/50/720889150.db2.gz QOPYWXKJYVTYJJ-ZCYQVOJMSA-N 2 1 406.574 3.849 20 0 HHADMP Cc1c[nH+]c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(C)c1 ZINC001164756582 720889151 /nfs/dbraw/zinc/88/91/51/720889151.db2.gz QOPYWXKJYVTYJJ-ZCYQVOJMSA-N 2 1 406.574 3.849 20 0 HHADMP Cc1c[nH+]c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc1C ZINC001164750066 720921064 /nfs/dbraw/zinc/92/10/64/720921064.db2.gz IYLVCPBFFMIYJK-NOZRDPDXSA-N 2 1 406.574 3.849 20 0 HHADMP Cc1c[nH+]c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc1C ZINC001164750066 720921073 /nfs/dbraw/zinc/92/10/73/720921073.db2.gz IYLVCPBFFMIYJK-NOZRDPDXSA-N 2 1 406.574 3.849 20 0 HHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(N4CCCCC4)cc[nH+]3)C[C@@H]21 ZINC001165020796 721817387 /nfs/dbraw/zinc/81/73/87/721817387.db2.gz DBQUUMPKZLVRMY-ILWGZMRPSA-N 2 1 406.578 3.599 20 0 HHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(N4CCCCC4)cc[nH+]3)C[C@@H]21 ZINC001165020796 721817388 /nfs/dbraw/zinc/81/73/88/721817388.db2.gz DBQUUMPKZLVRMY-ILWGZMRPSA-N 2 1 406.578 3.599 20 0 HHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC3CC[NH+]([C@@H]4CCOC4)CC3)c2c1C ZINC000301892571 971102415 /nfs/dbraw/zinc/10/24/15/971102415.db2.gz VWSDGBWZWIHVQC-GOSISDBHSA-N 2 1 415.607 3.569 20 0 HHADMP C[NH+](C)CCOc1cc(CNc2cc[nH+]c3cc(Br)ccc23)ccn1 ZINC000301899349 971104835 /nfs/dbraw/zinc/10/48/35/971104835.db2.gz XWLMIZACOKAWMP-UHFFFAOYSA-N 2 1 401.308 3.945 20 0 HHADMP C[C@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000303172055 971541224 /nfs/dbraw/zinc/54/12/24/971541224.db2.gz VUVWDWCFUVKEMS-NQIIRXRSSA-N 2 1 411.512 3.679 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[NH+]2CCCC2)o1 ZINC000303466022 971768628 /nfs/dbraw/zinc/76/86/28/971768628.db2.gz MNXXFLSQRHHAJU-KNQAVFIVSA-N 2 1 410.562 3.641 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)[NH+]2CCCC2)o1 ZINC000303466022 971768634 /nfs/dbraw/zinc/76/86/34/971768634.db2.gz MNXXFLSQRHHAJU-KNQAVFIVSA-N 2 1 410.562 3.641 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000303612291 971898721 /nfs/dbraw/zinc/89/87/21/971898721.db2.gz ZDRTZSBUIAJCLQ-GOSISDBHSA-N 2 1 415.557 3.555 20 0 HHADMP C[C@H]1C[C@H](N(C)C(=O)c2ccccc2OCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000303765696 972015788 /nfs/dbraw/zinc/01/57/88/972015788.db2.gz PNYRESSIYWBKCS-RBBKRZOGSA-N 2 1 409.574 3.752 20 0 HHADMP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000537621818 1013167327 /nfs/dbraw/zinc/16/73/27/1013167327.db2.gz IOZQAIQTHJANDA-DHLKQENFSA-N 2 1 422.617 3.735 20 0 HHADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cc(Cl)ccc2Cl)CC1 ZINC000303839561 972375865 /nfs/dbraw/zinc/37/58/65/972375865.db2.gz BKAMWAALNRGXPF-UHFFFAOYSA-N 2 1 400.394 3.909 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000537646637 1013207691 /nfs/dbraw/zinc/20/76/91/1013207691.db2.gz GCDZTLXROWZNOO-UHFFFAOYSA-N 2 1 406.521 3.925 20 0 HHADMP Cc1ccc([C@H]2CC[N@H+]([C@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000542316190 1013272715 /nfs/dbraw/zinc/27/27/15/1013272715.db2.gz PXOVGQLMDAAJSR-QPPBQGQZSA-N 2 1 405.586 3.954 20 0 HHADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542325282 1013280089 /nfs/dbraw/zinc/28/00/89/1013280089.db2.gz NJHULBQBGZAIQD-YOUFYPILSA-N 2 1 400.611 3.976 20 0 HHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542325282 1013280096 /nfs/dbraw/zinc/28/00/96/1013280096.db2.gz NJHULBQBGZAIQD-YOUFYPILSA-N 2 1 400.611 3.976 20 0 HHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537774330 1013337173 /nfs/dbraw/zinc/33/71/73/1013337173.db2.gz LVKCXFPVFJIIMT-QHAWAJNXSA-N 2 1 415.626 3.696 20 0 HHADMP C[C@H](C(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000553508011 1013408545 /nfs/dbraw/zinc/40/85/45/1013408545.db2.gz USJWGZDRYOVUNP-RLWLMLJZSA-N 2 1 403.570 3.558 20 0 HHADMP C[C@H](C(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)[N@H+]1CCc2ccccc2C1 ZINC000553508011 1013408551 /nfs/dbraw/zinc/40/85/51/1013408551.db2.gz USJWGZDRYOVUNP-RLWLMLJZSA-N 2 1 403.570 3.558 20 0 HHADMP C[C@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)[NH+]1CCc2ccccc2C1 ZINC000553508011 1013408557 /nfs/dbraw/zinc/40/85/57/1013408557.db2.gz USJWGZDRYOVUNP-RLWLMLJZSA-N 2 1 403.570 3.558 20 0 HHADMP C[C@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[NH+]1CCc2ccccc2C1 ZINC000553508011 1013408564 /nfs/dbraw/zinc/40/85/64/1013408564.db2.gz USJWGZDRYOVUNP-RLWLMLJZSA-N 2 1 403.570 3.558 20 0 HHADMP CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537846339 1013410431 /nfs/dbraw/zinc/41/04/31/1013410431.db2.gz PNOGVBBTBSLQJI-GOSISDBHSA-N 2 1 408.546 3.850 20 0 HHADMP CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537846339 1013410439 /nfs/dbraw/zinc/41/04/39/1013410439.db2.gz PNOGVBBTBSLQJI-GOSISDBHSA-N 2 1 408.546 3.850 20 0 HHADMP Cc1cc([C@H](NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c2cccnc2)ccc1F ZINC000542475863 1013423543 /nfs/dbraw/zinc/42/35/43/1013423543.db2.gz MFLNEVJRUAIDQV-VWLOTQADSA-N 2 1 419.548 3.815 20 0 HHADMP Nc1nc(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc2sc3c(c21)CCCC3 ZINC000537863992 1013437062 /nfs/dbraw/zinc/43/70/62/1013437062.db2.gz SIIUMHKJEWXQFO-YJBOKZPZSA-N 2 1 411.619 3.644 20 0 HHADMP Nc1nc(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc2sc3c(c21)CCCC3 ZINC000537863992 1013437067 /nfs/dbraw/zinc/43/70/67/1013437067.db2.gz SIIUMHKJEWXQFO-YJBOKZPZSA-N 2 1 411.619 3.644 20 0 HHADMP Nc1nc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc2sc3c(c21)CCCC3 ZINC000537863992 1013437069 /nfs/dbraw/zinc/43/70/69/1013437069.db2.gz SIIUMHKJEWXQFO-YJBOKZPZSA-N 2 1 411.619 3.644 20 0 HHADMP Nc1nc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc2sc3c(c21)CCCC3 ZINC000537863992 1013437073 /nfs/dbraw/zinc/43/70/73/1013437073.db2.gz SIIUMHKJEWXQFO-YJBOKZPZSA-N 2 1 411.619 3.644 20 0 HHADMP Nc1nc(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)nc2sc3c(c21)CCCC3 ZINC000537863987 1013437308 /nfs/dbraw/zinc/43/73/08/1013437308.db2.gz SIIUMHKJEWXQFO-QAPCUYQASA-N 2 1 411.619 3.644 20 0 HHADMP Nc1nc(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)nc2sc3c(c21)CCCC3 ZINC000537863987 1013437313 /nfs/dbraw/zinc/43/73/13/1013437313.db2.gz SIIUMHKJEWXQFO-QAPCUYQASA-N 2 1 411.619 3.644 20 0 HHADMP Nc1nc(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc2sc3c(c21)CCCC3 ZINC000537863987 1013437319 /nfs/dbraw/zinc/43/73/19/1013437319.db2.gz SIIUMHKJEWXQFO-QAPCUYQASA-N 2 1 411.619 3.644 20 0 HHADMP Nc1nc(CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc2sc3c(c21)CCCC3 ZINC000537863987 1013437323 /nfs/dbraw/zinc/43/73/23/1013437323.db2.gz SIIUMHKJEWXQFO-QAPCUYQASA-N 2 1 411.619 3.644 20 0 HHADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc(C)ccc1OC ZINC000537887615 1013469217 /nfs/dbraw/zinc/46/92/17/1013469217.db2.gz MVVOQMILBUXSMV-GMAHTHKFSA-N 2 1 409.574 3.942 20 0 HHADMP C[C@@H]([NH2+]CC(=O)Nc1ccnn1CC1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542530679 1013473115 /nfs/dbraw/zinc/47/31/15/1013473115.db2.gz GMCAQAUCGREUQI-QUCCMNQESA-N 2 1 401.599 3.645 20 0 HHADMP C[C@@H]([NH2+]CC(=O)Nc1ccnn1CC1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542530679 1013473123 /nfs/dbraw/zinc/47/31/23/1013473123.db2.gz GMCAQAUCGREUQI-QUCCMNQESA-N 2 1 401.599 3.645 20 0 HHADMP C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542534026 1013478208 /nfs/dbraw/zinc/47/82/08/1013478208.db2.gz ZJVMAOMNKWPWGM-CVEARBPZSA-N 2 1 421.969 3.682 20 0 HHADMP C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542534026 1013478210 /nfs/dbraw/zinc/47/82/10/1013478210.db2.gz ZJVMAOMNKWPWGM-CVEARBPZSA-N 2 1 421.969 3.682 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000050137757 964275163 /nfs/dbraw/zinc/27/51/63/964275163.db2.gz FEBKIONNYQLJNB-HXUWFJFHSA-N 2 1 406.640 3.771 20 0 HHADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000026310508 964521751 /nfs/dbraw/zinc/52/17/51/964521751.db2.gz OZTZCSQETZGTME-HSZRJFAPSA-N 2 1 423.630 3.688 20 0 HHADMP CCOc1ccc(C[N@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000051353061 964546111 /nfs/dbraw/zinc/54/61/11/964546111.db2.gz CNEPLTMUVWIBEY-UHFFFAOYSA-N 2 1 409.574 3.606 20 0 HHADMP CCOc1ccc(C[N@@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000051353061 964546117 /nfs/dbraw/zinc/54/61/17/964546117.db2.gz CNEPLTMUVWIBEY-UHFFFAOYSA-N 2 1 409.574 3.606 20 0 HHADMP CC(C)[C@H]([NH2+][C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000027451036 964897298 /nfs/dbraw/zinc/89/72/98/964897298.db2.gz BDCFBPZLVSMWEU-YKSBVNFPSA-N 2 1 409.574 3.510 20 0 HHADMP CC(C)[C@H]([NH2+][C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000027451029 964897552 /nfs/dbraw/zinc/89/75/52/964897552.db2.gz BDCFBPZLVSMWEU-RDPSFJRHSA-N 2 1 409.574 3.510 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCN(c3nc4ccccc4s3)CC2)[C@H](C)C1 ZINC000537959022 1013538402 /nfs/dbraw/zinc/53/84/02/1013538402.db2.gz QYSMMJVAEBNPMH-UYAOXDASSA-N 2 1 416.635 3.992 20 0 HHADMP Cc1c([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1-c1cccc(Cl)c1 ZINC000537969023 1013545813 /nfs/dbraw/zinc/54/58/13/1013545813.db2.gz IQOAYOLLSNPHOK-BBWFWOEESA-N 2 1 405.974 3.769 20 0 HHADMP C[N@@H+](CCNC(=O)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000060354080 966105189 /nfs/dbraw/zinc/10/51/89/966105189.db2.gz VZTMKMSANHOAEK-JOCHJYFZSA-N 2 1 419.491 3.689 20 0 HHADMP C[NH+](CCNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000060354080 966105195 /nfs/dbraw/zinc/10/51/95/966105195.db2.gz VZTMKMSANHOAEK-JOCHJYFZSA-N 2 1 419.491 3.689 20 0 HHADMP C[NH+](CCNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000060354080 966105201 /nfs/dbraw/zinc/10/52/01/966105201.db2.gz VZTMKMSANHOAEK-JOCHJYFZSA-N 2 1 419.491 3.689 20 0 HHADMP C[C@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1nc2ccccc2n1C ZINC000538059652 1013636672 /nfs/dbraw/zinc/63/66/72/1013636672.db2.gz DWIFJGCLHHLDIY-NRFANRHFSA-N 2 1 405.590 3.822 20 0 HHADMP COc1cc(-c2noc(C[NH+]3CCC(CC[NH+](C)C)CC3)n2)ccc1OC(F)F ZINC000056521992 966362342 /nfs/dbraw/zinc/36/23/42/966362342.db2.gz GBEMWTTWEOITPM-UHFFFAOYSA-N 2 1 410.465 3.510 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000056845672 966490591 /nfs/dbraw/zinc/49/05/91/966490591.db2.gz ASLQKOWVUPGJMU-UHFFFAOYSA-N 2 1 400.611 3.721 20 0 HHADMP CC[C@@H](CNC(=O)NCc1cccc(C[N@@H+](C)CC)c1)[NH+]1CCc2ccccc2C1 ZINC000061863532 966566347 /nfs/dbraw/zinc/56/63/47/966566347.db2.gz ISUQVYIRKPYLMM-DEOSSOPVSA-N 2 1 408.590 3.774 20 0 HHADMP CC[C@@H](CNC(=O)NCc1cccc(C[NH+](C)CC)c1)[N@@H+]1CCc2ccccc2C1 ZINC000061863532 966566353 /nfs/dbraw/zinc/56/63/53/966566353.db2.gz ISUQVYIRKPYLMM-DEOSSOPVSA-N 2 1 408.590 3.774 20 0 HHADMP CC[C@@H](CNC(=O)NCc1cccc(C[NH+](C)CC)c1)[N@H+]1CCc2ccccc2C1 ZINC000061863532 966566359 /nfs/dbraw/zinc/56/63/59/966566359.db2.gz ISUQVYIRKPYLMM-DEOSSOPVSA-N 2 1 408.590 3.774 20 0 HHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000063150789 966763945 /nfs/dbraw/zinc/76/39/45/966763945.db2.gz PSKFIBPHYJKWRO-IBGZPJMESA-N 2 1 402.652 3.626 20 0 HHADMP CC(C)[N@H+](C)CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000063583276 966895269 /nfs/dbraw/zinc/89/52/69/966895269.db2.gz FFUZLZPSDAZVRS-UHFFFAOYSA-N 2 1 414.981 3.941 20 0 HHADMP CC(C)[N@@H+](C)CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000063583276 966895275 /nfs/dbraw/zinc/89/52/75/966895275.db2.gz FFUZLZPSDAZVRS-UHFFFAOYSA-N 2 1 414.981 3.941 20 0 HHADMP CC(C)[C@@H](CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)[NH+]1CCOCC1 ZINC000043391158 966963933 /nfs/dbraw/zinc/96/39/33/966963933.db2.gz ZQFGPZZVFDDSGA-HSZRJFAPSA-N 2 1 416.610 3.929 20 0 HHADMP CC(C)[C@@H](CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)[NH+]1CCOCC1 ZINC000043391158 966963945 /nfs/dbraw/zinc/96/39/45/966963945.db2.gz ZQFGPZZVFDDSGA-HSZRJFAPSA-N 2 1 416.610 3.929 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)cc2)C[C@H](C)O1 ZINC000043805044 967038486 /nfs/dbraw/zinc/03/84/86/967038486.db2.gz QPEGKGVFQAKHRU-OYRHEFFESA-N 2 1 421.585 3.822 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)cc2)C[C@H](C)O1 ZINC000043805044 967038492 /nfs/dbraw/zinc/03/84/92/967038492.db2.gz QPEGKGVFQAKHRU-OYRHEFFESA-N 2 1 421.585 3.822 20 0 HHADMP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000064229713 967094898 /nfs/dbraw/zinc/09/48/98/967094898.db2.gz NTDLAVZQFRRJBB-UHFFFAOYSA-N 2 1 412.553 3.695 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000064229713 967094909 /nfs/dbraw/zinc/09/49/09/967094909.db2.gz NTDLAVZQFRRJBB-UHFFFAOYSA-N 2 1 412.553 3.695 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000064229713 967094914 /nfs/dbraw/zinc/09/49/14/967094914.db2.gz NTDLAVZQFRRJBB-UHFFFAOYSA-N 2 1 412.553 3.695 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000064229713 967094924 /nfs/dbraw/zinc/09/49/24/967094924.db2.gz NTDLAVZQFRRJBB-UHFFFAOYSA-N 2 1 412.553 3.695 20 0 HHADMP Cc1ccc([C@H](CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000064237167 967100577 /nfs/dbraw/zinc/10/05/77/967100577.db2.gz QSNYBZKPCZHROR-GGAORHGYSA-N 2 1 400.611 3.943 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000064251190 967105416 /nfs/dbraw/zinc/10/54/16/967105416.db2.gz NJAMNZUYTDLOCV-KDURUIRLSA-N 2 1 406.640 3.627 20 0 HHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000542840825 1013701935 /nfs/dbraw/zinc/70/19/35/1013701935.db2.gz YECKZXQWQUCFDR-UPYFZQQASA-N 2 1 405.533 3.869 20 0 HHADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000542845520 1013705028 /nfs/dbraw/zinc/70/50/28/1013705028.db2.gz AZDGBEVDUDQUDO-HRAATJIYSA-N 2 1 408.571 3.931 20 0 HHADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000542848288 1013707330 /nfs/dbraw/zinc/70/73/30/1013707330.db2.gz WWOWGQWSIVPEPS-NTKDMRAZSA-N 2 1 424.589 3.978 20 0 HHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000064754453 967284258 /nfs/dbraw/zinc/28/42/58/967284258.db2.gz CGNMVQQGKKLFTQ-NRFANRHFSA-N 2 1 418.651 3.868 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000064755777 967284705 /nfs/dbraw/zinc/28/47/05/967284705.db2.gz PKUWFMZZPUOSET-HSALFYBXSA-N 2 1 406.640 3.627 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000064755777 967284714 /nfs/dbraw/zinc/28/47/14/967284714.db2.gz PKUWFMZZPUOSET-HSALFYBXSA-N 2 1 406.640 3.627 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000064755777 967284724 /nfs/dbraw/zinc/28/47/24/967284724.db2.gz PKUWFMZZPUOSET-HSALFYBXSA-N 2 1 406.640 3.627 20 0 HHADMP COc1ccc(Cl)cc1CNC(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000542884998 1013732492 /nfs/dbraw/zinc/73/24/92/1013732492.db2.gz MMSNGAXULLAKFI-OAHLLOKOSA-N 2 1 412.921 3.810 20 0 HHADMP CC(C)[N@H+](Cc1ccc(NC(=O)N2CCC[NH+](C)CC2)cc1)C[C@H]1CCCCO1 ZINC000542890999 1013736064 /nfs/dbraw/zinc/73/60/64/1013736064.db2.gz LKLMGJWQQPFIAG-JOCHJYFZSA-N 2 1 402.583 3.636 20 0 HHADMP CC(C)[NH+](Cc1ccc(NC(=O)N2CCC[N@H+](C)CC2)cc1)C[C@H]1CCCCO1 ZINC000542890999 1013736072 /nfs/dbraw/zinc/73/60/72/1013736072.db2.gz LKLMGJWQQPFIAG-JOCHJYFZSA-N 2 1 402.583 3.636 20 0 HHADMP CC(C)[NH+](Cc1ccc(NC(=O)N2CCC[N@@H+](C)CC2)cc1)C[C@H]1CCCCO1 ZINC000542890999 1013736078 /nfs/dbraw/zinc/73/60/78/1013736078.db2.gz LKLMGJWQQPFIAG-JOCHJYFZSA-N 2 1 402.583 3.636 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cc(F)cc3c2OCOC3)CC1 ZINC000538211927 1013765129 /nfs/dbraw/zinc/76/51/29/1013765129.db2.gz MWVHWJSNKMRHPQ-INIZCTEOSA-N 2 1 417.500 3.824 20 0 HHADMP CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC1 ZINC000047979701 968381217 /nfs/dbraw/zinc/38/12/17/968381217.db2.gz MRRLXMRSBUFYSL-NRFANRHFSA-N 2 1 412.603 3.631 20 0 HHADMP CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CC1 ZINC000047979701 968381228 /nfs/dbraw/zinc/38/12/28/968381228.db2.gz MRRLXMRSBUFYSL-NRFANRHFSA-N 2 1 412.603 3.631 20 0 HHADMP CC[C@H]([NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)ccc1F ZINC000538261840 1013804146 /nfs/dbraw/zinc/80/41/46/1013804146.db2.gz XMCHWYSMZIYKMR-WVBUVRCRSA-N 2 1 401.501 3.785 20 0 HHADMP CC[C@H]([NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1F ZINC000538261840 1013804152 /nfs/dbraw/zinc/80/41/52/1013804152.db2.gz XMCHWYSMZIYKMR-WVBUVRCRSA-N 2 1 401.501 3.785 20 0 HHADMP C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000065893569 968703724 /nfs/dbraw/zinc/70/37/24/968703724.db2.gz HIUMIBHVOJBOEL-OAQYLSRUSA-N 2 1 415.528 3.767 20 0 HHADMP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)[NH+](C)C ZINC000554146488 1013821685 /nfs/dbraw/zinc/82/16/85/1013821685.db2.gz XXMJZMOBFIXVDU-HYBUGGRVSA-N 2 1 424.589 3.683 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000071922976 968889290 /nfs/dbraw/zinc/88/92/90/968889290.db2.gz OBQNSAUFTJHWCC-HBMCJLEFSA-N 2 1 404.599 3.864 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000096997306 969076206 /nfs/dbraw/zinc/07/62/06/969076206.db2.gz WBLLQJIUWGBQDN-UHFFFAOYSA-N 2 1 414.981 3.819 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000096997306 969076215 /nfs/dbraw/zinc/07/62/15/969076215.db2.gz WBLLQJIUWGBQDN-UHFFFAOYSA-N 2 1 414.981 3.819 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000097549224 969157864 /nfs/dbraw/zinc/15/78/64/969157864.db2.gz TVXWIIZQHMUYKK-LOSJGSFVSA-N 2 1 405.586 3.579 20 0 HHADMP O=C(NC[C@@H]1CC[NH+](CCc2ccccc2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000097549224 969157872 /nfs/dbraw/zinc/15/78/72/969157872.db2.gz TVXWIIZQHMUYKK-LOSJGSFVSA-N 2 1 405.586 3.579 20 0 HHADMP O=C(NC[C@@H]1CC[NH+](CCc2ccccc2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000097549224 969157877 /nfs/dbraw/zinc/15/78/77/969157877.db2.gz TVXWIIZQHMUYKK-LOSJGSFVSA-N 2 1 405.586 3.579 20 0 HHADMP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000109527928 969528987 /nfs/dbraw/zinc/52/89/87/969528987.db2.gz UQGWMEKZFDVZEE-QHCPKHFHSA-N 2 1 409.599 3.881 20 0 HHADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000110434161 969667499 /nfs/dbraw/zinc/66/74/99/969667499.db2.gz ZUIILEJJBWWFLI-KSZLIROESA-N 2 1 407.986 3.797 20 0 HHADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000110434161 969667505 /nfs/dbraw/zinc/66/75/05/969667505.db2.gz ZUIILEJJBWWFLI-KSZLIROESA-N 2 1 407.986 3.797 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCC(=O)Nc3cccc4ccccc43)CC2)C[C@H](C)O1 ZINC000110991377 969755471 /nfs/dbraw/zinc/75/54/71/969755471.db2.gz KBIKHEQQTLYYAN-BGYRXZFFSA-N 2 1 409.574 3.990 20 0 HHADMP CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000236630538 970148816 /nfs/dbraw/zinc/14/88/16/970148816.db2.gz BFVPVSCPBHXDIQ-UHFFFAOYSA-N 2 1 404.002 3.766 20 0 HHADMP c1c(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000236639283 970150329 /nfs/dbraw/zinc/15/03/29/970150329.db2.gz NLRIOJYVAGZBDE-HXUWFJFHSA-N 2 1 417.557 3.525 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cccnc2OCC(F)(F)F)CC1 ZINC000236803759 970174705 /nfs/dbraw/zinc/17/47/05/970174705.db2.gz CLOFSMNFXMAPQN-UHFFFAOYSA-N 2 1 422.495 3.845 20 0 HHADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)cc1 ZINC000236981485 970200441 /nfs/dbraw/zinc/20/04/41/970200441.db2.gz DKUVFIMBFBFDIK-UHFFFAOYSA-N 2 1 411.527 3.769 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1F ZINC000143565924 970201655 /nfs/dbraw/zinc/20/16/55/970201655.db2.gz SKHATDVFWOBOLQ-OAQYLSRUSA-N 2 1 406.505 3.848 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000143565924 970201661 /nfs/dbraw/zinc/20/16/61/970201661.db2.gz SKHATDVFWOBOLQ-OAQYLSRUSA-N 2 1 406.505 3.848 20 0 HHADMP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000144183456 970223603 /nfs/dbraw/zinc/22/36/03/970223603.db2.gz XJIWMSAIRHFDKS-UHFFFAOYSA-N 2 1 415.965 3.629 20 0 HHADMP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000144183456 970223606 /nfs/dbraw/zinc/22/36/06/970223606.db2.gz XJIWMSAIRHFDKS-UHFFFAOYSA-N 2 1 415.965 3.629 20 0 HHADMP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000237163699 970233241 /nfs/dbraw/zinc/23/32/41/970233241.db2.gz ZTEANVIBMNKEEV-UHFFFAOYSA-N 2 1 418.029 3.565 20 0 HHADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000237173044 970235795 /nfs/dbraw/zinc/23/57/95/970235795.db2.gz OTCYVFLGIDZRET-UHFFFAOYSA-N 2 1 414.981 3.710 20 0 HHADMP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000145670613 970268666 /nfs/dbraw/zinc/26/86/66/970268666.db2.gz MKTNGMFTZFKRNJ-JOCHJYFZSA-N 2 1 411.615 3.989 20 0 HHADMP COC(=O)COc1c(C)cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1C ZINC000147327094 970324906 /nfs/dbraw/zinc/32/49/06/970324906.db2.gz CHZZSIHLALRBAM-LJQANCHMSA-N 2 1 416.587 3.919 20 0 HHADMP COC(=O)COc1c(C)cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1C ZINC000147327094 970324925 /nfs/dbraw/zinc/32/49/25/970324925.db2.gz CHZZSIHLALRBAM-LJQANCHMSA-N 2 1 416.587 3.919 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000554575221 1013980721 /nfs/dbraw/zinc/98/07/21/1013980721.db2.gz BKPOTXYVJTWGTB-OFNKIYASSA-N 2 1 400.611 3.659 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000554575221 1013980723 /nfs/dbraw/zinc/98/07/23/1013980723.db2.gz BKPOTXYVJTWGTB-OFNKIYASSA-N 2 1 400.611 3.659 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000554575221 1013980725 /nfs/dbraw/zinc/98/07/25/1013980725.db2.gz BKPOTXYVJTWGTB-OFNKIYASSA-N 2 1 400.611 3.659 20 0 HHADMP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000237813285 970373071 /nfs/dbraw/zinc/37/30/71/970373071.db2.gz UDXQJJWOLCVVRT-GOSISDBHSA-N 2 1 411.377 3.814 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cc(Cl)cc(Cl)c3)c2)C1 ZINC000237933677 970398085 /nfs/dbraw/zinc/39/80/85/970398085.db2.gz PHOUFSXAMDIAMC-SFHVURJKSA-N 2 1 406.357 3.981 20 0 HHADMP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000195606776 970549009 /nfs/dbraw/zinc/54/90/09/970549009.db2.gz WAANTTQRXPERKN-DNQXCXABSA-N 2 1 406.574 3.787 20 0 HHADMP CC1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000410347331 973935484 /nfs/dbraw/zinc/93/54/84/973935484.db2.gz AZNJVDDERIDKTD-RUZDIDTESA-N 2 1 420.601 3.992 20 0 HHADMP CC[N@@H+](CCNC(=O)N1CCC[NH+](Cc2ccccc2)C[C@@H]1C)CCC(F)(F)F ZINC000425997798 974112238 /nfs/dbraw/zinc/11/22/38/974112238.db2.gz YXRBWTULZBAOGM-SFHVURJKSA-N 2 1 414.516 3.567 20 0 HHADMP CC[NH+](CCNC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)CCC(F)(F)F ZINC000425997798 974112242 /nfs/dbraw/zinc/11/22/42/974112242.db2.gz YXRBWTULZBAOGM-SFHVURJKSA-N 2 1 414.516 3.567 20 0 HHADMP CC[NH+](CCNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)CCC(F)(F)F ZINC000425997798 974112247 /nfs/dbraw/zinc/11/22/47/974112247.db2.gz YXRBWTULZBAOGM-SFHVURJKSA-N 2 1 414.516 3.567 20 0 HHADMP CCCc1csc(C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000426397201 974431493 /nfs/dbraw/zinc/43/14/93/974431493.db2.gz RXSXWDXPJOMPRB-UHFFFAOYSA-N 2 1 414.619 3.556 20 0 HHADMP CCCc1csc(C[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000426397201 974431497 /nfs/dbraw/zinc/43/14/97/974431497.db2.gz RXSXWDXPJOMPRB-UHFFFAOYSA-N 2 1 414.619 3.556 20 0 HHADMP CSc1ccc(NC(=O)C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000426765353 974643378 /nfs/dbraw/zinc/64/33/78/974643378.db2.gz MVMWDSJIEBGLTI-HDICACEKSA-N 2 1 405.608 3.558 20 0 HHADMP CSc1ccc(NC(=O)C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000426765353 974643384 /nfs/dbraw/zinc/64/33/84/974643384.db2.gz MVMWDSJIEBGLTI-HDICACEKSA-N 2 1 405.608 3.558 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCC(=O)Nc3cc(F)cc(F)c3)CC2)C[C@H](C)O1 ZINC000426770012 974647536 /nfs/dbraw/zinc/64/75/36/974647536.db2.gz NXSGZFCTMUPATQ-CALCHBBNSA-N 2 1 409.521 3.505 20 0 HHADMP CCc1cccc(C)c1NC(=O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426776969 974652690 /nfs/dbraw/zinc/65/26/90/974652690.db2.gz JJUHKJROLYYGDA-BGYRXZFFSA-N 2 1 401.595 3.707 20 0 HHADMP CCc1cccc(C)c1NC(=O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426776969 974652694 /nfs/dbraw/zinc/65/26/94/974652694.db2.gz JJUHKJROLYYGDA-BGYRXZFFSA-N 2 1 401.595 3.707 20 0 HHADMP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(F)cc1 ZINC000426793887 974665125 /nfs/dbraw/zinc/66/51/25/974665125.db2.gz PQMIAEVAQAXLCV-IYWMVGAKSA-N 2 1 419.585 3.603 20 0 HHADMP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC000426815401 974681139 /nfs/dbraw/zinc/68/11/39/974681139.db2.gz KQXPGSZFQUXVAE-QHAWAJNXSA-N 2 1 401.595 3.842 20 0 HHADMP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC000426815401 974681141 /nfs/dbraw/zinc/68/11/41/974681141.db2.gz KQXPGSZFQUXVAE-QHAWAJNXSA-N 2 1 401.595 3.842 20 0 HHADMP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426823836 974689551 /nfs/dbraw/zinc/68/95/51/974689551.db2.gz FBPFLDARXGUDBN-RTBURBONSA-N 2 1 402.579 3.999 20 0 HHADMP CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000426826493 974691071 /nfs/dbraw/zinc/69/10/71/974691071.db2.gz OZBGREJQDSYGOY-OTWHNJEPSA-N 2 1 419.635 3.947 20 0 HHADMP CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000426826493 974691076 /nfs/dbraw/zinc/69/10/76/974691076.db2.gz OZBGREJQDSYGOY-OTWHNJEPSA-N 2 1 419.635 3.947 20 0 HHADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3nc(-c4ccc(F)cc4)no3)CC2)C[C@H](C)O1 ZINC000426836888 974701218 /nfs/dbraw/zinc/70/12/18/974701218.db2.gz WTGSXTRNZDYPFU-CALCHBBNSA-N 2 1 402.514 3.587 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3nc(-c4ccc(F)cc4)no3)CC2)C[C@H](C)O1 ZINC000426836888 974701223 /nfs/dbraw/zinc/70/12/23/974701223.db2.gz WTGSXTRNZDYPFU-CALCHBBNSA-N 2 1 402.514 3.587 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]Cc4cccnc4N4CCOCC4)[C@@H]3C2)cc1 ZINC000428245032 975562066 /nfs/dbraw/zinc/56/20/66/975562066.db2.gz ZYXHSPIMQQKUSE-ISJGIBHGSA-N 2 1 420.601 3.699 20 0 HHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCCc3c(Cl)cccc3Cl)CC2)CC1 ZINC000428277975 975592200 /nfs/dbraw/zinc/59/22/00/975592200.db2.gz PYOMFDJFZIIUIF-UHFFFAOYSA-N 2 1 412.405 3.802 20 0 HHADMP CC(C)O[C@H](C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000428298976 975609001 /nfs/dbraw/zinc/60/90/01/975609001.db2.gz VWRCXRIPWNIAQV-ZFGGDYGUSA-N 2 1 404.595 3.743 20 0 HHADMP CC(C)O[C@H](C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000428298976 975609004 /nfs/dbraw/zinc/60/90/04/975609004.db2.gz VWRCXRIPWNIAQV-ZFGGDYGUSA-N 2 1 404.595 3.743 20 0 HHADMP C[C@H](C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000428532975 975827906 /nfs/dbraw/zinc/82/79/06/975827906.db2.gz HXFWAWOTIFXUOU-CJFMBICVSA-N 2 1 421.585 3.535 20 0 HHADMP OC[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1Br ZINC000428542574 975845322 /nfs/dbraw/zinc/84/53/22/975845322.db2.gz DYLWMJGOUAPGRG-IBGZPJMESA-N 2 1 417.391 3.854 20 0 HHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@]3(Cc4ccc(F)cc4)CCC[C@@H]3O)sc2C1 ZINC000428574898 975886981 /nfs/dbraw/zinc/88/69/81/975886981.db2.gz SKKPZDZAEQNKDW-JTHBVZDNSA-N 2 1 417.594 3.912 20 0 HHADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@]3(Cc4ccc(F)cc4)CCC[C@@H]3O)sc2C1 ZINC000428574898 975886986 /nfs/dbraw/zinc/88/69/86/975886986.db2.gz SKKPZDZAEQNKDW-JTHBVZDNSA-N 2 1 417.594 3.912 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NCC3CC[NH+](C4CC4)CC3)cc2)C1 ZINC000428650429 975951548 /nfs/dbraw/zinc/95/15/48/975951548.db2.gz OXYOKYHMWKRALE-BGYRXZFFSA-N 2 1 412.622 3.838 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000428914113 976215284 /nfs/dbraw/zinc/21/52/84/976215284.db2.gz XYNQQZDOJPQMQZ-XMSQKQJNSA-N 2 1 412.553 3.740 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)NCCC[NH+](C)C3CCCCC3)CC2)C[C@H](C)O1 ZINC000428933764 976234054 /nfs/dbraw/zinc/23/40/54/976234054.db2.gz VFCMUJAACUYTTP-OYRHEFFESA-N 2 1 422.658 3.562 20 0 HHADMP C[C@@H]1C[NH+](CCC2CCN(C(=O)NCCC[N@H+](C)C3CCCCC3)CC2)C[C@H](C)O1 ZINC000428933764 976234066 /nfs/dbraw/zinc/23/40/66/976234066.db2.gz VFCMUJAACUYTTP-OYRHEFFESA-N 2 1 422.658 3.562 20 0 HHADMP C[C@@H]1C[NH+](CCC2CCN(C(=O)NCCC[N@@H+](C)C3CCCCC3)CC2)C[C@H](C)O1 ZINC000428933764 976234073 /nfs/dbraw/zinc/23/40/73/976234073.db2.gz VFCMUJAACUYTTP-OYRHEFFESA-N 2 1 422.658 3.562 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)N(C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1)C(C)C ZINC000428960900 976249768 /nfs/dbraw/zinc/24/97/68/976249768.db2.gz FDDQCDGGZKFTPJ-SANMLTNESA-N 2 1 423.601 3.626 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1)C(C)C ZINC000428960900 976249779 /nfs/dbraw/zinc/24/97/79/976249779.db2.gz FDDQCDGGZKFTPJ-SANMLTNESA-N 2 1 423.601 3.626 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1)C(C)C ZINC000428960900 976249789 /nfs/dbraw/zinc/24/97/89/976249789.db2.gz FDDQCDGGZKFTPJ-SANMLTNESA-N 2 1 423.601 3.626 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1Br ZINC000429254248 976542596 /nfs/dbraw/zinc/54/25/96/976542596.db2.gz MLQOVLYGMBKTIW-OAHLLOKOSA-N 2 1 407.356 3.947 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1Br ZINC000429254248 976542604 /nfs/dbraw/zinc/54/26/04/976542604.db2.gz MLQOVLYGMBKTIW-OAHLLOKOSA-N 2 1 407.356 3.947 20 0 HHADMP C[C@@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000429439661 976717717 /nfs/dbraw/zinc/71/77/17/976717717.db2.gz FMYDQOSZZHNNNW-PXDATVDWSA-N 2 1 411.590 3.569 20 0 HHADMP C[C@@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000429439661 976717729 /nfs/dbraw/zinc/71/77/29/976717729.db2.gz FMYDQOSZZHNNNW-PXDATVDWSA-N 2 1 411.590 3.569 20 0 HHADMP C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000429439658 976718048 /nfs/dbraw/zinc/71/80/48/976718048.db2.gz FMYDQOSZZHNNNW-OFVILXPXSA-N 2 1 411.590 3.569 20 0 HHADMP C[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000429439658 976718068 /nfs/dbraw/zinc/71/80/68/976718068.db2.gz FMYDQOSZZHNNNW-OFVILXPXSA-N 2 1 411.590 3.569 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)[C@@H](C)C1 ZINC000429457597 976731836 /nfs/dbraw/zinc/73/18/36/976731836.db2.gz UZFGGXDZLRDIOZ-ZNEWLNCYSA-N 2 1 406.586 3.626 20 0 HHADMP C[NH+](C)CCC1CCN(C(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000429508313 976764269 /nfs/dbraw/zinc/76/42/69/976764269.db2.gz MXEZSQNWEBBJJD-HSZRJFAPSA-N 2 1 414.638 3.833 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429678933 976975708 /nfs/dbraw/zinc/97/57/08/976975708.db2.gz BLPJKEPHOIHEND-CLJLJLNGSA-N 2 1 407.602 3.731 20 0 HHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429678933 976975719 /nfs/dbraw/zinc/97/57/19/976975719.db2.gz BLPJKEPHOIHEND-CLJLJLNGSA-N 2 1 407.602 3.731 20 0 HHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429678933 976975734 /nfs/dbraw/zinc/97/57/34/976975734.db2.gz BLPJKEPHOIHEND-CLJLJLNGSA-N 2 1 407.602 3.731 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)NCc2ccccc2COc2ccccc2)[C@H](C)C1 ZINC000429798602 977074795 /nfs/dbraw/zinc/07/47/95/977074795.db2.gz JKCVJJQQPACYCM-HYBUGGRVSA-N 2 1 409.574 3.544 20 0 HHADMP C[C@H](NC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000430236858 977410817 /nfs/dbraw/zinc/41/08/17/977410817.db2.gz CDAVKIDFLBTXOL-UWDQQESISA-N 2 1 412.622 3.993 20 0 HHADMP C[C@H](NC(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000430236858 977410821 /nfs/dbraw/zinc/41/08/21/977410821.db2.gz CDAVKIDFLBTXOL-UWDQQESISA-N 2 1 412.622 3.993 20 0 HHADMP C[C@H](NC(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000430236858 977410824 /nfs/dbraw/zinc/41/08/24/977410824.db2.gz CDAVKIDFLBTXOL-UWDQQESISA-N 2 1 412.622 3.993 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000430665238 977676820 /nfs/dbraw/zinc/67/68/20/977676820.db2.gz ADPIFNWSCNMNQP-UHFFFAOYSA-N 2 1 411.512 3.974 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C(C)(C)Oc1ccc(F)cc1 ZINC000430683714 977693391 /nfs/dbraw/zinc/69/33/91/977693391.db2.gz KRIYYUGXGGPGKU-UHFFFAOYSA-N 2 1 419.585 3.638 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCc1ccccc1Cl ZINC000430684393 977694320 /nfs/dbraw/zinc/69/43/20/977694320.db2.gz NAPOYDNWKVQVBU-UHFFFAOYSA-N 2 1 406.014 3.927 20 0 HHADMP COc1cc(Cl)ccc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430688275 977696030 /nfs/dbraw/zinc/69/60/30/977696030.db2.gz WCHYZZSDYNEAKH-UHFFFAOYSA-N 2 1 407.986 3.617 20 0 HHADMP COc1cccc(COC[C@H](O)C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000430827727 977783376 /nfs/dbraw/zinc/78/33/76/977783376.db2.gz OHTCJGDOLIMUGV-TUACAJSNSA-N 2 1 412.574 3.558 20 0 HHADMP COc1cccc(COC[C@H](O)C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000430827727 977783385 /nfs/dbraw/zinc/78/33/85/977783385.db2.gz OHTCJGDOLIMUGV-TUACAJSNSA-N 2 1 412.574 3.558 20 0 HHADMP COc1cccc(COC[C@H](O)C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000430827727 977783398 /nfs/dbraw/zinc/78/33/98/977783398.db2.gz OHTCJGDOLIMUGV-TUACAJSNSA-N 2 1 412.574 3.558 20 0 HHADMP COc1cccc(COC[C@H](O)C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000430827727 977783405 /nfs/dbraw/zinc/78/34/05/977783405.db2.gz OHTCJGDOLIMUGV-TUACAJSNSA-N 2 1 412.574 3.558 20 0 HHADMP CCc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000430911946 977880631 /nfs/dbraw/zinc/88/06/31/977880631.db2.gz JOVVFEIIKHWIPS-FQEVSTJZSA-N 2 1 414.638 3.704 20 0 HHADMP CC(C)N(C(=O)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccccc1 ZINC000430937144 977900778 /nfs/dbraw/zinc/90/07/78/977900778.db2.gz ZLQXOPZBAQMNKQ-UHFFFAOYSA-N 2 1 414.638 3.556 20 0 HHADMP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000430955562 977911586 /nfs/dbraw/zinc/91/15/86/977911586.db2.gz ZEVBHHYMWKHXQL-OAQYLSRUSA-N 2 1 414.638 3.759 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C/C=C/c1ccc(F)cc1 ZINC000431007036 977951606 /nfs/dbraw/zinc/95/16/06/977951606.db2.gz OZZKWMOKXYQPGB-ONEGZZNKSA-N 2 1 401.570 3.884 20 0 HHADMP COc1c(C)ccc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000431068789 977999886 /nfs/dbraw/zinc/99/98/86/977999886.db2.gz JOHIIMMSGXBBJF-UHFFFAOYSA-N 2 1 416.610 3.972 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1ccc(F)c(F)c1F ZINC000431071702 978003302 /nfs/dbraw/zinc/00/33/02/978003302.db2.gz QJNNSGHWTYBBQK-UHFFFAOYSA-N 2 1 412.500 3.764 20 0 HHADMP CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000431652757 978412477 /nfs/dbraw/zinc/41/24/77/978412477.db2.gz WMKMOOMHGOLHGN-URXFXBBRSA-N 2 1 414.638 3.954 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000431665501 978421573 /nfs/dbraw/zinc/42/15/73/978421573.db2.gz PGYRJJXEYABAPM-DHIUTWEWSA-N 2 1 404.643 3.793 20 0 HHADMP CCS[C@H]1CCC[C@H](NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000431666398 978422134 /nfs/dbraw/zinc/42/21/34/978422134.db2.gz SXHZQLHMIUFUCF-UNMCSNQZSA-N 2 1 424.699 3.888 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000431677701 978430500 /nfs/dbraw/zinc/43/05/00/978430500.db2.gz FGCGIHFWFKHZTK-UNMCSNQZSA-N 2 1 424.589 3.939 20 0 HHADMP C[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000431689629 978437410 /nfs/dbraw/zinc/43/74/10/978437410.db2.gz YYCFLGJWZFNOES-XUZZJYLKSA-N 2 1 408.590 3.813 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCc1coc2ccccc12 ZINC000431693503 978439404 /nfs/dbraw/zinc/43/94/04/978439404.db2.gz DBMOYJMMKJIWBT-UHFFFAOYSA-N 2 1 412.578 3.771 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000431800758 978523259 /nfs/dbraw/zinc/52/32/59/978523259.db2.gz MFDSOLXSNPCEJE-GOTSBHOMSA-N 2 1 416.585 3.519 20 0 HHADMP CCC[C@@H]1CN(C(=O)Cc2cncn2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000431823661 978538462 /nfs/dbraw/zinc/53/84/62/978538462.db2.gz RJIXETOAMHDDCB-XMMPIXPASA-N 2 1 416.569 3.987 20 0 HHADMP CCC[C@@H]1CN(C(=O)Cc2cncn2Cc2ccccc2)CCN1Cc1ccccc1 ZINC000431823661 978538466 /nfs/dbraw/zinc/53/84/66/978538466.db2.gz RJIXETOAMHDDCB-XMMPIXPASA-N 2 1 416.569 3.987 20 0 HHADMP C[C@H](NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1F ZINC000431873239 978566751 /nfs/dbraw/zinc/56/67/51/978566751.db2.gz SNMGOTRXFMBBJR-KRWDZBQOSA-N 2 1 422.564 3.864 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCC(C)(C)c1ccccc1 ZINC000431877295 978571165 /nfs/dbraw/zinc/57/11/65/978571165.db2.gz GPMODLCUXWIUFL-UHFFFAOYSA-N 2 1 414.638 3.802 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cn(C)c2ccc(F)cc12 ZINC000432123631 978686094 /nfs/dbraw/zinc/68/60/94/978686094.db2.gz VUAWJZYYLBDRCU-UHFFFAOYSA-N 2 1 414.569 3.586 20 0 HHADMP COC(=O)c1cc([C@@H](C)[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)oc1C ZINC000432821265 978985043 /nfs/dbraw/zinc/98/50/43/978985043.db2.gz WLHDZRQPIPRPCU-QGZVFWFLSA-N 2 1 405.583 3.564 20 0 HHADMP COc1cc(C[NH+]2CCC[C@@H]3COCC[C@H]32)cc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000432824441 978985705 /nfs/dbraw/zinc/98/57/05/978985705.db2.gz SYGYEGLSEZMZKM-MFYODDQASA-N 2 1 414.590 3.697 20 0 HHADMP COc1cc(C[NH+]2CCC[C@@H]3COCC[C@@H]32)cc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1 ZINC000432824441 978985706 /nfs/dbraw/zinc/98/57/06/978985706.db2.gz SYGYEGLSEZMZKM-MFYODDQASA-N 2 1 414.590 3.697 20 0 HHADMP COc1cc(C[NH+]2CCC[C@@H]3COCC[C@@H]32)cc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c1 ZINC000432824441 978985708 /nfs/dbraw/zinc/98/57/08/978985708.db2.gz SYGYEGLSEZMZKM-MFYODDQASA-N 2 1 414.590 3.697 20 0 HHADMP C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000432873593 978997965 /nfs/dbraw/zinc/99/79/65/978997965.db2.gz UJVYLUPYGTUOKJ-IAGOWNOFSA-N 2 1 417.491 3.625 20 0 HHADMP O=C(CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N1CCOc2ccccc21 ZINC000433166428 979111352 /nfs/dbraw/zinc/11/13/52/979111352.db2.gz KRSWXRGLRXNDGT-UHFFFAOYSA-N 2 1 419.569 3.790 20 0 HHADMP C[C@H]1CN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC[N@H+](C2CCC2)C1 ZINC000433270369 979204692 /nfs/dbraw/zinc/20/46/92/979204692.db2.gz DFXBGHDSJYINGX-HXUWFJFHSA-N 2 1 414.594 3.889 20 0 HHADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000433366008 979257877 /nfs/dbraw/zinc/25/78/77/979257877.db2.gz NJVJQSNAULLCAQ-IIBYNOLFSA-N 2 1 403.929 3.964 20 0 HHADMP Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000434313605 980074354 /nfs/dbraw/zinc/07/43/54/980074354.db2.gz AVBAWMFHGXLFTB-RBBKRZOGSA-N 2 1 409.578 3.842 20 0 HHADMP Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000434322474 980085799 /nfs/dbraw/zinc/08/57/99/980085799.db2.gz VTWOPRRZAGCDKE-QHCPKHFHSA-N 2 1 417.557 3.952 20 0 HHADMP O[C@H](COCc1ccccc1Cl)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434679802 980335413 /nfs/dbraw/zinc/33/54/13/980335413.db2.gz FXQRTDMVCAEJHX-FQEVSTJZSA-N 2 1 403.954 3.630 20 0 HHADMP C[NH+](C)Cc1cccc(C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000435634535 980968622 /nfs/dbraw/zinc/96/86/22/980968622.db2.gz DECGATQVDKLHRG-QFIPXVFZSA-N 2 1 403.530 3.644 20 0 HHADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000435752640 981016151 /nfs/dbraw/zinc/01/61/51/981016151.db2.gz YYJWXWHMNNBPIF-QFIPXVFZSA-N 2 1 413.610 3.665 20 0 HHADMP CN(c1ccccc1)c1ccc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cn1 ZINC000435787366 981031080 /nfs/dbraw/zinc/03/10/80/981031080.db2.gz MKHCTWCENMEXII-UHFFFAOYSA-N 2 1 415.585 3.887 20 0 HHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000448212839 981627095 /nfs/dbraw/zinc/62/70/95/981627095.db2.gz MEQYXFXDBNBHBM-NNMXDRDESA-N 2 1 416.635 3.618 20 0 HHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448212839 981627098 /nfs/dbraw/zinc/62/70/98/981627098.db2.gz MEQYXFXDBNBHBM-NNMXDRDESA-N 2 1 416.635 3.618 20 0 HHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448212839 981627102 /nfs/dbraw/zinc/62/71/02/981627102.db2.gz MEQYXFXDBNBHBM-NNMXDRDESA-N 2 1 416.635 3.618 20 0 HHADMP C[C@H]1CCCN(Cc2csc(NC(=O)N3CCC(Cc4[nH+]ccn4C)CC3)n2)C1 ZINC000448241004 981648300 /nfs/dbraw/zinc/64/83/00/981648300.db2.gz NENIFRSVKWDIPZ-INIZCTEOSA-N 2 1 416.595 3.595 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)[C@@H](C)C1 ZINC000448461318 981794548 /nfs/dbraw/zinc/79/45/48/981794548.db2.gz KJRGVICNCPNJFD-NZQKXSOJSA-N 2 1 400.611 3.790 20 0 HHADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)[C@@H](C)C1 ZINC000448520199 981848198 /nfs/dbraw/zinc/84/81/98/981848198.db2.gz IELUIZUFVLQZIX-WMZHIEFXSA-N 2 1 412.578 3.783 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)[C@@H](C)C1 ZINC000448520199 981848220 /nfs/dbraw/zinc/84/82/20/981848220.db2.gz IELUIZUFVLQZIX-WMZHIEFXSA-N 2 1 412.578 3.783 20 0 HHADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)[C@@H](C)C1 ZINC000448520199 981848230 /nfs/dbraw/zinc/84/82/30/981848230.db2.gz IELUIZUFVLQZIX-WMZHIEFXSA-N 2 1 412.578 3.783 20 0 HHADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)[C@@H](C)C1 ZINC000448520199 981848245 /nfs/dbraw/zinc/84/82/45/981848245.db2.gz IELUIZUFVLQZIX-WMZHIEFXSA-N 2 1 412.578 3.783 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000460161206 981934072 /nfs/dbraw/zinc/93/40/72/981934072.db2.gz KXDWLJSMDXXAOV-JWQCQUIFSA-N 2 1 420.601 3.802 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000460161206 981934074 /nfs/dbraw/zinc/93/40/74/981934074.db2.gz KXDWLJSMDXXAOV-JWQCQUIFSA-N 2 1 420.601 3.802 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000460161206 981934082 /nfs/dbraw/zinc/93/40/82/981934082.db2.gz KXDWLJSMDXXAOV-JWQCQUIFSA-N 2 1 420.601 3.802 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000460168606 981940240 /nfs/dbraw/zinc/94/02/40/981940240.db2.gz JFWARCDXLPDZBQ-GMKZXUHWSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460168606 981940249 /nfs/dbraw/zinc/94/02/49/981940249.db2.gz JFWARCDXLPDZBQ-GMKZXUHWSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460168606 981940261 /nfs/dbraw/zinc/94/02/61/981940261.db2.gz JFWARCDXLPDZBQ-GMKZXUHWSA-N 2 1 412.622 3.805 20 0 HHADMP Cc1cc(CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc(N2CCCC2)[nH+]1 ZINC000460215794 981990989 /nfs/dbraw/zinc/99/09/89/981990989.db2.gz NJFLIFRIKIBXRS-IBGZPJMESA-N 2 1 409.578 3.919 20 0 HHADMP CC(C)[NH+](CCCNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)C(C)C ZINC000460403538 982184835 /nfs/dbraw/zinc/18/48/35/982184835.db2.gz ROJQMABVCUNKCE-PKTZIBPZSA-N 2 1 400.611 3.659 20 0 HHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000437729012 982322340 /nfs/dbraw/zinc/32/23/40/982322340.db2.gz GAPIBSAZHGOMHV-PMACEKPBSA-N 2 1 402.583 3.745 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)[C@H]1c1ccccc1 ZINC000460561288 982347271 /nfs/dbraw/zinc/34/72/71/982347271.db2.gz WCNXQFZYSOKQDH-FQUZAXHOSA-N 2 1 418.585 3.595 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)[C@H]1c1ccccc1 ZINC000460561288 982347279 /nfs/dbraw/zinc/34/72/79/982347279.db2.gz WCNXQFZYSOKQDH-FQUZAXHOSA-N 2 1 418.585 3.595 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)[C@H]1c1ccccc1 ZINC000460561288 982347285 /nfs/dbraw/zinc/34/72/85/982347285.db2.gz WCNXQFZYSOKQDH-FQUZAXHOSA-N 2 1 418.585 3.595 20 0 HHADMP C[C@H](NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000460658017 982428848 /nfs/dbraw/zinc/42/88/48/982428848.db2.gz RTWZTFNVCQIHMV-KELGSRBJSA-N 2 1 424.633 3.803 20 0 HHADMP C[C@H](NC(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000460658017 982428849 /nfs/dbraw/zinc/42/88/49/982428849.db2.gz RTWZTFNVCQIHMV-KELGSRBJSA-N 2 1 424.633 3.803 20 0 HHADMP C[C@H](NC(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000460658017 982428854 /nfs/dbraw/zinc/42/88/54/982428854.db2.gz RTWZTFNVCQIHMV-KELGSRBJSA-N 2 1 424.633 3.803 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000437945628 982478146 /nfs/dbraw/zinc/47/81/46/982478146.db2.gz CWNDSESSVFBDOQ-OAHLLOKOSA-N 2 1 404.452 3.724 20 0 HHADMP CC[C@@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC000461015662 982724831 /nfs/dbraw/zinc/72/48/31/982724831.db2.gz NCDGTPKEYDIENI-HSZRJFAPSA-N 2 1 403.586 3.974 20 0 HHADMP C[NH+]1CCC(N(Cc2ccco2)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000438348439 982737098 /nfs/dbraw/zinc/73/70/98/982737098.db2.gz XLWIKHURNJUQQJ-NRFANRHFSA-N 2 1 402.583 3.683 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000438482354 982829708 /nfs/dbraw/zinc/82/97/08/982829708.db2.gz YBCVXSSISGOXMZ-LVXARBLLSA-N 2 1 405.586 3.819 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000438847389 983114292 /nfs/dbraw/zinc/11/42/92/983114292.db2.gz CTXRCEZWMTVIKL-GBXCKJPGSA-N 2 1 421.589 3.571 20 0 HHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000439006772 983206487 /nfs/dbraw/zinc/20/64/87/983206487.db2.gz SXALBDHMDGOOCO-MRXNPFEDSA-N 2 1 414.550 3.821 20 0 HHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000439083213 983242206 /nfs/dbraw/zinc/24/22/06/983242206.db2.gz GGNSQLMRSNNIFV-CYFREDJKSA-N 2 1 424.589 3.683 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000439214314 983313674 /nfs/dbraw/zinc/31/36/74/983313674.db2.gz SJXTTZPHYCTIJM-IBGZPJMESA-N 2 1 409.578 3.558 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000439756935 983526522 /nfs/dbraw/zinc/52/65/22/983526522.db2.gz MHWIRZRWXYTKCW-KNQAVFIVSA-N 2 1 424.564 3.775 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000439770446 983532010 /nfs/dbraw/zinc/53/20/10/983532010.db2.gz XXSBFKFYSTZDTE-IERDGZPVSA-N 2 1 400.954 3.680 20 0 HHADMP C[N@H+]1CCN(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1(C)C ZINC000441332998 984190122 /nfs/dbraw/zinc/19/01/22/984190122.db2.gz LIRXIEBRVRUSMA-UHFFFAOYSA-N 2 1 421.564 3.794 20 0 HHADMP C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)CC[C@H]1CCCC[NH+]1C ZINC000441356767 984204947 /nfs/dbraw/zinc/20/49/47/984204947.db2.gz MBGUYFCAUKGXDA-OAHLLOKOSA-N 2 1 400.336 3.723 20 0 HHADMP C[NH+](CCC(=O)Nc1ccc(Br)cc1F)CC[C@H]1CCCC[N@@H+]1C ZINC000441356767 984204950 /nfs/dbraw/zinc/20/49/50/984204950.db2.gz MBGUYFCAUKGXDA-OAHLLOKOSA-N 2 1 400.336 3.723 20 0 HHADMP C[NH+](CCC(=O)Nc1ccc(Br)cc1F)CC[C@H]1CCCC[N@H+]1C ZINC000441356767 984204954 /nfs/dbraw/zinc/20/49/54/984204954.db2.gz MBGUYFCAUKGXDA-OAHLLOKOSA-N 2 1 400.336 3.723 20 0 HHADMP CC(CN1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441394631 984227894 /nfs/dbraw/zinc/22/78/94/984227894.db2.gz PETJJFJWZXLTEB-SAZLYLDSSA-N 2 1 414.682 3.520 20 0 HHADMP C[NH+](C)CC1CCC(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000441521429 984301190 /nfs/dbraw/zinc/30/11/90/984301190.db2.gz HXXAQHIGOPEFFV-RVMZIBIISA-N 2 1 412.622 3.805 20 0 HHADMP C[N@@H+](C[C@H](O)CO[C@H]1CCCc2ccccc21)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000441630217 984363994 /nfs/dbraw/zinc/36/39/94/984363994.db2.gz XULSZRPVAFZLKK-GVUKDKGQSA-N 2 1 408.586 3.895 20 0 HHADMP C[NH+](C[C@H](O)CO[C@H]1CCCc2ccccc21)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000441630217 984364003 /nfs/dbraw/zinc/36/40/03/984364003.db2.gz XULSZRPVAFZLKK-GVUKDKGQSA-N 2 1 408.586 3.895 20 0 HHADMP C[NH+](C[C@H](O)CO[C@H]1CCCc2ccccc21)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000441630217 984364010 /nfs/dbraw/zinc/36/40/10/984364010.db2.gz XULSZRPVAFZLKK-GVUKDKGQSA-N 2 1 408.586 3.895 20 0 HHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H]([NH+](C)Cc2ccccn2)CC1 ZINC000461721064 984737018 /nfs/dbraw/zinc/73/70/18/984737018.db2.gz GAICGVQVIUBMJP-ZJSXRUAMSA-N 2 1 423.605 3.598 20 0 HHADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000461721064 984737021 /nfs/dbraw/zinc/73/70/21/984737021.db2.gz GAICGVQVIUBMJP-ZJSXRUAMSA-N 2 1 423.605 3.598 20 0 HHADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000461721064 984737025 /nfs/dbraw/zinc/73/70/25/984737025.db2.gz GAICGVQVIUBMJP-ZJSXRUAMSA-N 2 1 423.605 3.598 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000442240901 984762162 /nfs/dbraw/zinc/76/21/62/984762162.db2.gz JAVDEKPFVKZHFZ-RQJJNDFQSA-N 2 1 400.611 3.801 20 0 HHADMP Cc1cc(CNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc(N2CCCC2)[nH+]1 ZINC000462263179 985251465 /nfs/dbraw/zinc/25/14/65/985251465.db2.gz NGSXVTCAVPMTFJ-UHFFFAOYSA-N 2 1 413.610 3.788 20 0 HHADMP Cc1cc(CNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc(N2CCCC2)[nH+]1 ZINC000462263179 985251478 /nfs/dbraw/zinc/25/14/78/985251478.db2.gz NGSXVTCAVPMTFJ-UHFFFAOYSA-N 2 1 413.610 3.788 20 0 HHADMP CCCC[N@H+](C)CC1CCN(C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)CC1 ZINC000462264348 985252952 /nfs/dbraw/zinc/25/29/52/985252952.db2.gz XDOQVGHJZYAOQY-UHFFFAOYSA-N 2 1 401.599 3.644 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)CC1 ZINC000462264348 985252959 /nfs/dbraw/zinc/25/29/59/985252959.db2.gz XDOQVGHJZYAOQY-UHFFFAOYSA-N 2 1 401.599 3.644 20 0 HHADMP Cc1cc(CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc(N2CCCC2)[nH+]1 ZINC000462264122 985253088 /nfs/dbraw/zinc/25/30/88/985253088.db2.gz UOCFJGLZOJYXIU-OAQYLSRUSA-N 2 1 413.610 3.788 20 0 HHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)c1 ZINC000462271861 985261841 /nfs/dbraw/zinc/26/18/41/985261841.db2.gz OGWLIFZLCVYSTB-UHFFFAOYSA-N 2 1 409.578 3.572 20 0 HHADMP Cc1cc(CNC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)cc(N2CCCC2)[nH+]1 ZINC000462273603 985262836 /nfs/dbraw/zinc/26/28/36/985262836.db2.gz QSBOUTGCAPXGNU-UHFFFAOYSA-N 2 1 409.578 3.700 20 0 HHADMP Cc1cc(CNC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)cc(N2CCCC2)[nH+]1 ZINC000462273603 985262849 /nfs/dbraw/zinc/26/28/49/985262849.db2.gz QSBOUTGCAPXGNU-UHFFFAOYSA-N 2 1 409.578 3.700 20 0 HHADMP CSC1(CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[NH+](C)CC1 ZINC000462515256 985465977 /nfs/dbraw/zinc/46/59/77/985465977.db2.gz WVLPFSFPAKDHIT-CTNGQTDRSA-N 2 1 418.651 3.508 20 0 HHADMP CCN(C(=O)CC1([NH+]2CCOCC2)CCCC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000467980527 985625451 /nfs/dbraw/zinc/62/54/51/985625451.db2.gz ZCIXFDIJGGGPMO-GGAORHGYSA-N 2 1 413.606 3.706 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000462687607 985627423 /nfs/dbraw/zinc/62/74/23/985627423.db2.gz SDJGLGSSJNUORS-HYBUGGRVSA-N 2 1 406.574 3.602 20 0 HHADMP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)Nc1ccc(N2CCCCC2)nc1 ZINC000443591185 985767260 /nfs/dbraw/zinc/76/72/60/985767260.db2.gz JWDDCMVUVVBDKN-UHFFFAOYSA-N 2 1 413.610 3.598 20 0 HHADMP COc1cc(F)c(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1F ZINC000468168146 985847939 /nfs/dbraw/zinc/84/79/39/985847939.db2.gz FMBSMJYPFSJWIX-UHFFFAOYSA-N 2 1 424.536 3.633 20 0 HHADMP CC[NH+](CC)CCCNC(=O)C1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000462931555 985868766 /nfs/dbraw/zinc/86/87/66/985868766.db2.gz WURUOAQVZYHCIA-UHFFFAOYSA-N 2 1 402.970 3.953 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C(=O)N3CCSCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463121061 986085369 /nfs/dbraw/zinc/08/53/69/986085369.db2.gz YQCOJHHDAHNSFJ-RQJJNDFQSA-N 2 1 415.647 3.763 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C(=O)N3CCSCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463121061 986085383 /nfs/dbraw/zinc/08/53/83/986085383.db2.gz YQCOJHHDAHNSFJ-RQJJNDFQSA-N 2 1 415.647 3.763 20 0 HHADMP CCOCCC[N@H+]1CC[C@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000463123558 986088913 /nfs/dbraw/zinc/08/89/13/986088913.db2.gz KCFGBCIMJOIXGM-YKSBVNFPSA-N 2 1 405.602 3.559 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000463123558 986088925 /nfs/dbraw/zinc/08/89/25/986088925.db2.gz KCFGBCIMJOIXGM-YKSBVNFPSA-N 2 1 405.602 3.559 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000463123558 986088940 /nfs/dbraw/zinc/08/89/40/986088940.db2.gz KCFGBCIMJOIXGM-YKSBVNFPSA-N 2 1 405.602 3.559 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3Cc3ccccc3)c2)C1 ZINC000468429568 986127790 /nfs/dbraw/zinc/12/77/90/986127790.db2.gz QCKOMILIRVIWLB-ISJGIBHGSA-N 2 1 405.586 3.885 20 0 HHADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)CC[N@H+]1Cc1ccccc1 ZINC000463189733 986161661 /nfs/dbraw/zinc/16/16/61/986161661.db2.gz KPJINYNAMUJVFK-GGLXGSTNSA-N 2 1 407.602 3.512 20 0 HHADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC[NH+]1Cc1ccccc1 ZINC000463189733 986161670 /nfs/dbraw/zinc/16/16/70/986161670.db2.gz KPJINYNAMUJVFK-GGLXGSTNSA-N 2 1 407.602 3.512 20 0 HHADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC[NH+]1Cc1ccccc1 ZINC000463189733 986161673 /nfs/dbraw/zinc/16/16/73/986161673.db2.gz KPJINYNAMUJVFK-GGLXGSTNSA-N 2 1 407.602 3.512 20 0 HHADMP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)c1 ZINC000463194774 986166914 /nfs/dbraw/zinc/16/69/14/986166914.db2.gz ZVSVLQGDGJVDDJ-HJNYFJLDSA-N 2 1 409.574 3.925 20 0 HHADMP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)c1 ZINC000463194774 986166918 /nfs/dbraw/zinc/16/69/18/986166918.db2.gz ZVSVLQGDGJVDDJ-HJNYFJLDSA-N 2 1 409.574 3.925 20 0 HHADMP COc1cc(CN2CC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)cc(OC)c1 ZINC000463202801 986175002 /nfs/dbraw/zinc/17/50/02/986175002.db2.gz BQSQYWZBALCSJC-OYDLWJJNSA-N 2 1 423.601 3.921 20 0 HHADMP COc1cc(CN2CC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)cc(OC)c1 ZINC000463202801 986175012 /nfs/dbraw/zinc/17/50/12/986175012.db2.gz BQSQYWZBALCSJC-OYDLWJJNSA-N 2 1 423.601 3.921 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)c1 ZINC000468509751 986211290 /nfs/dbraw/zinc/21/12/90/986211290.db2.gz AWRWMIXXDUHAHS-RPWUZVMVSA-N 2 1 407.558 3.773 20 0 HHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000463246874 986215029 /nfs/dbraw/zinc/21/50/29/986215029.db2.gz XRDAJOYBKRMABH-LQWUYIKVSA-N 2 1 419.613 3.655 20 0 HHADMP OC[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000463246874 986215048 /nfs/dbraw/zinc/21/50/48/986215048.db2.gz XRDAJOYBKRMABH-LQWUYIKVSA-N 2 1 419.613 3.655 20 0 HHADMP OC[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000463246874 986215057 /nfs/dbraw/zinc/21/50/57/986215057.db2.gz XRDAJOYBKRMABH-LQWUYIKVSA-N 2 1 419.613 3.655 20 0 HHADMP OC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000463246874 986215069 /nfs/dbraw/zinc/21/50/69/986215069.db2.gz XRDAJOYBKRMABH-LQWUYIKVSA-N 2 1 419.613 3.655 20 0 HHADMP OC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000463246874 986215083 /nfs/dbraw/zinc/21/50/83/986215083.db2.gz XRDAJOYBKRMABH-LQWUYIKVSA-N 2 1 419.613 3.655 20 0 HHADMP C[C@@H]1CN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cn2)C[C@H](C)O1 ZINC000463278877 986245645 /nfs/dbraw/zinc/24/56/45/986245645.db2.gz DNEKXTNSPGJANG-WBAPNYJUSA-N 2 1 420.601 3.980 20 0 HHADMP C[C@@H]1CN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cn2)C[C@H](C)O1 ZINC000463278877 986245660 /nfs/dbraw/zinc/24/56/60/986245660.db2.gz DNEKXTNSPGJANG-WBAPNYJUSA-N 2 1 420.601 3.980 20 0 HHADMP Fc1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)N2CCOCC2)cc1 ZINC000463303244 986270752 /nfs/dbraw/zinc/27/07/52/986270752.db2.gz QQFWESJJDOQJAU-VGPBXHGJSA-N 2 1 423.576 3.984 20 0 HHADMP Cc1cc(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000444236752 986425944 /nfs/dbraw/zinc/42/59/44/986425944.db2.gz JLMRDNBASFIIHV-XWSHUIEDSA-N 2 1 409.578 3.838 20 0 HHADMP Cc1cc(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000444236751 986426030 /nfs/dbraw/zinc/42/60/30/986426030.db2.gz JLMRDNBASFIIHV-JBPLPALLSA-N 2 1 409.578 3.838 20 0 HHADMP CC[NH+](Cc1cc(Br)ccc1C[N@H+](CC)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000463447632 986427626 /nfs/dbraw/zinc/42/76/26/986427626.db2.gz ZQVGRUYCIZJGGB-VQTJNVASSA-N 2 1 411.384 3.671 20 0 HHADMP CC[NH+](Cc1ccc(Br)cc1C[N@H+](CC)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000463447632 986427627 /nfs/dbraw/zinc/42/76/27/986427627.db2.gz ZQVGRUYCIZJGGB-VQTJNVASSA-N 2 1 411.384 3.671 20 0 HHADMP CC[NH+](Cc1ccc(Br)cc1C[N@@H+](CC)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000463447632 986427630 /nfs/dbraw/zinc/42/76/30/986427630.db2.gz ZQVGRUYCIZJGGB-VQTJNVASSA-N 2 1 411.384 3.671 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)c1ccco1 ZINC000468763925 986477326 /nfs/dbraw/zinc/47/73/26/986477326.db2.gz AOAZGESRWPCZHR-INIZCTEOSA-N 2 1 403.433 3.611 20 0 HHADMP C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000468861364 986570439 /nfs/dbraw/zinc/57/04/39/986570439.db2.gz FEKJRAIMNHDMHK-PFRQMTDMSA-N 2 1 405.384 3.780 20 0 HHADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000468903551 986610136 /nfs/dbraw/zinc/61/01/36/986610136.db2.gz HXUJIDFBLPLQQQ-DOTOQJQBSA-N 2 1 411.456 3.770 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000468903551 986610140 /nfs/dbraw/zinc/61/01/40/986610140.db2.gz HXUJIDFBLPLQQQ-DOTOQJQBSA-N 2 1 411.456 3.770 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cc1 ZINC000444592959 986779872 /nfs/dbraw/zinc/77/98/72/986779872.db2.gz QEHRMAFUBZVZPN-QGZVFWFLSA-N 2 1 409.509 3.812 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)cc1 ZINC000444592959 986779883 /nfs/dbraw/zinc/77/98/83/986779883.db2.gz QEHRMAFUBZVZPN-QGZVFWFLSA-N 2 1 409.509 3.812 20 0 HHADMP CCC[N@@H+]1Cc2cccc(NC(=O)CC[NH+]3CCN(c4cccc(C)c4)CC3)c2C1 ZINC000469373560 987071035 /nfs/dbraw/zinc/07/10/35/987071035.db2.gz PMWSZGTVYITPGK-UHFFFAOYSA-N 2 1 406.574 3.871 20 0 HHADMP CCC[N@H+]1Cc2cccc(NC(=O)CC[NH+]3CCN(c4cccc(C)c4)CC3)c2C1 ZINC000469373560 987071044 /nfs/dbraw/zinc/07/10/44/987071044.db2.gz PMWSZGTVYITPGK-UHFFFAOYSA-N 2 1 406.574 3.871 20 0 HHADMP CC1CC[NH+](C2CCC(NC(=O)c3cnn(-c4cc[nH+]cc4)c3C(F)F)CC2)CC1 ZINC000469679542 987337165 /nfs/dbraw/zinc/33/71/65/987337165.db2.gz IPZGXGMYSPTCPN-UHFFFAOYSA-N 2 1 417.504 3.978 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000469696475 987354424 /nfs/dbraw/zinc/35/44/24/987354424.db2.gz VXKRKYDUWDQNDL-HXUWFJFHSA-N 2 1 400.526 3.984 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)[C@@H](C)C1 ZINC000469789330 987434349 /nfs/dbraw/zinc/43/43/49/987434349.db2.gz XZMFWZQQKGUSAI-YSIASYRMSA-N 2 1 407.986 3.562 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)[C@@H](C)C1 ZINC000469789330 987434355 /nfs/dbraw/zinc/43/43/55/987434355.db2.gz XZMFWZQQKGUSAI-YSIASYRMSA-N 2 1 407.986 3.562 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000469791172 987435614 /nfs/dbraw/zinc/43/56/14/987435614.db2.gz PXLDWBSYZWCYJB-UEXGIBASSA-N 2 1 410.002 3.586 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000469791172 987435616 /nfs/dbraw/zinc/43/56/16/987435616.db2.gz PXLDWBSYZWCYJB-UEXGIBASSA-N 2 1 410.002 3.586 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1 ZINC000470067621 987963478 /nfs/dbraw/zinc/96/34/78/987963478.db2.gz SNQUHYCKWLBWGT-APWZRJJASA-N 2 1 414.516 3.728 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000470189805 988107360 /nfs/dbraw/zinc/10/73/60/988107360.db2.gz YYJRYHDKKDOQEV-MJGOQNOKSA-N 2 1 412.500 3.624 20 0 HHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000470229111 988162095 /nfs/dbraw/zinc/16/20/95/988162095.db2.gz AHXCEHLUKZDXFH-UNMCSNQZSA-N 2 1 423.523 3.631 20 0 HHADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000470229111 988162099 /nfs/dbraw/zinc/16/20/99/988162099.db2.gz AHXCEHLUKZDXFH-UNMCSNQZSA-N 2 1 423.523 3.631 20 0 HHADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000470229111 988162119 /nfs/dbraw/zinc/16/21/19/988162119.db2.gz AHXCEHLUKZDXFH-UNMCSNQZSA-N 2 1 423.523 3.631 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1 ZINC000470287008 988244073 /nfs/dbraw/zinc/24/40/73/988244073.db2.gz XUNASMJNLPZOTK-APWZRJJASA-N 2 1 414.516 3.585 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)[C@H](C)C1 ZINC000470287091 988244116 /nfs/dbraw/zinc/24/41/16/988244116.db2.gz YBNYAECXPMJPBS-MNEFBYGVSA-N 2 1 414.516 3.680 20 0 HHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000470752808 988794587 /nfs/dbraw/zinc/79/45/87/988794587.db2.gz BOMRCQRQXCTCRW-GBXCKJPGSA-N 2 1 412.622 3.934 20 0 HHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000470752808 988794594 /nfs/dbraw/zinc/79/45/94/988794594.db2.gz BOMRCQRQXCTCRW-GBXCKJPGSA-N 2 1 412.622 3.934 20 0 HHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000470752808 988794613 /nfs/dbraw/zinc/79/46/13/988794613.db2.gz BOMRCQRQXCTCRW-GBXCKJPGSA-N 2 1 412.622 3.934 20 0 HHADMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000470889737 988962397 /nfs/dbraw/zinc/96/23/97/988962397.db2.gz RKFTUJNFWUKAHZ-UNMCSNQZSA-N 2 1 419.013 3.822 20 0 HHADMP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000470889737 988962401 /nfs/dbraw/zinc/96/24/01/988962401.db2.gz RKFTUJNFWUKAHZ-UNMCSNQZSA-N 2 1 419.013 3.822 20 0 HHADMP CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C1 ZINC000464768942 988992168 /nfs/dbraw/zinc/99/21/68/988992168.db2.gz CPOWRDYQTIVXKW-FCHUYYIVSA-N 2 1 403.636 3.635 20 0 HHADMP CCS[C@@H]1CC[C@H]([NH+](C)CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)C1 ZINC000464768942 988992185 /nfs/dbraw/zinc/99/21/85/988992185.db2.gz CPOWRDYQTIVXKW-FCHUYYIVSA-N 2 1 403.636 3.635 20 0 HHADMP CCS[C@@H]1CC[C@H]([NH+](C)CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)C1 ZINC000464768942 988992190 /nfs/dbraw/zinc/99/21/90/988992190.db2.gz CPOWRDYQTIVXKW-FCHUYYIVSA-N 2 1 403.636 3.635 20 0 HHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000464781619 989008809 /nfs/dbraw/zinc/00/88/09/989008809.db2.gz TZRHTPKXKAGFNB-GOEBONIOSA-N 2 1 419.791 3.506 20 0 HHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000464781619 989008819 /nfs/dbraw/zinc/00/88/19/989008819.db2.gz TZRHTPKXKAGFNB-GOEBONIOSA-N 2 1 419.791 3.506 20 0 HHADMP CC[C@](C)([NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1nc(C)cs1 ZINC000464802052 989031541 /nfs/dbraw/zinc/03/15/41/989031541.db2.gz LYXFUIXITFJJHM-QHCPKHFHSA-N 2 1 414.619 3.756 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000464830836 989071428 /nfs/dbraw/zinc/07/14/28/989071428.db2.gz MPJWFGCNURPBCP-UXHICEINSA-N 2 1 406.640 3.798 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)C1 ZINC000464953960 989249693 /nfs/dbraw/zinc/24/96/93/989249693.db2.gz QMILYXIWNXVWBC-NFBKMPQASA-N 2 1 400.611 3.696 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000464953960 989249706 /nfs/dbraw/zinc/24/97/06/989249706.db2.gz QMILYXIWNXVWBC-NFBKMPQASA-N 2 1 400.611 3.696 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000464953960 989249718 /nfs/dbraw/zinc/24/97/18/989249718.db2.gz QMILYXIWNXVWBC-NFBKMPQASA-N 2 1 400.611 3.696 20 0 HHADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471474743 989671272 /nfs/dbraw/zinc/67/12/72/989671272.db2.gz DSAQLRKARYSVDK-VXKWHMMOSA-N 2 1 410.562 3.628 20 0 HHADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471479706 989676567 /nfs/dbraw/zinc/67/65/67/989676567.db2.gz IDJLBFKBPGYXGB-ZRBLBEILSA-N 2 1 422.573 3.580 20 0 HHADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000471520506 989720066 /nfs/dbraw/zinc/72/00/66/989720066.db2.gz FLHRGPMKYJWWGL-XMMPIXPASA-N 2 1 408.590 3.850 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000471540224 989740089 /nfs/dbraw/zinc/74/00/89/989740089.db2.gz NFXCXSOIQNGGAA-SIKLNZKXSA-N 2 1 414.981 3.764 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000471540224 989740099 /nfs/dbraw/zinc/74/00/99/989740099.db2.gz NFXCXSOIQNGGAA-SIKLNZKXSA-N 2 1 414.981 3.764 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000465405780 989753088 /nfs/dbraw/zinc/75/30/88/989753088.db2.gz MGJGQJSSQIXTHC-GOTSBHOMSA-N 2 1 424.589 3.970 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000465413992 989760404 /nfs/dbraw/zinc/76/04/04/989760404.db2.gz UDEJXJZUUQVDAT-LEWJYISDSA-N 2 1 414.619 3.904 20 0 HHADMP COc1ccc([C@@H](CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)[NH+]2CCCCC2)cc1 ZINC000465414476 989761316 /nfs/dbraw/zinc/76/13/16/989761316.db2.gz UAAXPWBGJFOSFQ-FYYLOGMGSA-N 2 1 416.610 3.738 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000465423901 989767760 /nfs/dbraw/zinc/76/77/60/989767760.db2.gz AWYCHIVIWOFIEN-OFNKIYASSA-N 2 1 412.553 3.592 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cccc(F)c1 ZINC000465436235 989781602 /nfs/dbraw/zinc/78/16/02/989781602.db2.gz VDNNLCITTCDJBT-QFUCXCTJSA-N 2 1 418.582 3.872 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000465440838 989785251 /nfs/dbraw/zinc/78/52/51/989785251.db2.gz IGLYZZSORXRVMH-HXUWFJFHSA-N 2 1 400.611 3.849 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000465457590 989797539 /nfs/dbraw/zinc/79/75/39/989797539.db2.gz XCYXDKICLUCPHI-VWNXMTODSA-N 2 1 408.590 3.843 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000471616077 989820970 /nfs/dbraw/zinc/82/09/70/989820970.db2.gz BJEDAHHZPVXTNA-XPNTWCBSSA-N 2 1 400.611 3.566 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000471617363 989821846 /nfs/dbraw/zinc/82/18/46/989821846.db2.gz GBRZTVMWLIYQQM-KOVSNXQUSA-N 2 1 412.622 3.518 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1cccc(OC)c1 ZINC000465491656 989840147 /nfs/dbraw/zinc/84/01/47/989840147.db2.gz VCKBLSUAHDTAHA-UNMCSNQZSA-N 2 1 404.599 3.594 20 0 HHADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[NH+]1CCC[C@H](C)C1 ZINC000465524048 989878380 /nfs/dbraw/zinc/87/83/80/989878380.db2.gz CXWNOOZFROGXJL-PMACEKPBSA-N 2 1 412.578 3.831 20 0 HHADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[NH+]1CCC[C@H](C)C1 ZINC000465524048 989878384 /nfs/dbraw/zinc/87/83/84/989878384.db2.gz CXWNOOZFROGXJL-PMACEKPBSA-N 2 1 412.578 3.831 20 0 HHADMP C[C@@H](CNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)[N@@H+]1CCC[C@H](C)C1 ZINC000465524048 989878393 /nfs/dbraw/zinc/87/83/93/989878393.db2.gz CXWNOOZFROGXJL-PMACEKPBSA-N 2 1 412.578 3.831 20 0 HHADMP C[C@@H](CNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)[N@H+]1CCC[C@H](C)C1 ZINC000465524048 989878400 /nfs/dbraw/zinc/87/84/00/989878400.db2.gz CXWNOOZFROGXJL-PMACEKPBSA-N 2 1 412.578 3.831 20 0 HHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000465528959 989887862 /nfs/dbraw/zinc/88/78/62/989887862.db2.gz UXCWELJHVWUBGE-LEWJYISDSA-N 2 1 407.002 3.993 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccsc1 ZINC000465533146 989894442 /nfs/dbraw/zinc/89/44/42/989894442.db2.gz JFWPFHVLYBFUBG-KVSKMBFKSA-N 2 1 406.621 3.795 20 0 HHADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000465534233 989895771 /nfs/dbraw/zinc/89/57/71/989895771.db2.gz PDGILSKUPZAVLE-HMCFTDRDSA-N 2 1 412.622 3.979 20 0 HHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000471734042 989930105 /nfs/dbraw/zinc/93/01/05/989930105.db2.gz FHJUIFCJOMJUPC-ZLPCBKJTSA-N 2 1 418.548 3.601 20 0 HHADMP CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000465596068 989976694 /nfs/dbraw/zinc/97/66/94/989976694.db2.gz JSNBSNFVQAAKDF-SFTDATJTSA-N 2 1 412.603 3.631 20 0 HHADMP CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000465596068 989976705 /nfs/dbraw/zinc/97/67/05/989976705.db2.gz JSNBSNFVQAAKDF-SFTDATJTSA-N 2 1 412.603 3.631 20 0 HHADMP CC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000465596068 989976718 /nfs/dbraw/zinc/97/67/18/989976718.db2.gz JSNBSNFVQAAKDF-SFTDATJTSA-N 2 1 412.603 3.631 20 0 HHADMP CC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000465596068 989976730 /nfs/dbraw/zinc/97/67/30/989976730.db2.gz JSNBSNFVQAAKDF-SFTDATJTSA-N 2 1 412.603 3.631 20 0 HHADMP C[C@H]1CCN(C(=O)NCCC[N@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000465616446 990002512 /nfs/dbraw/zinc/00/25/12/990002512.db2.gz SKUANBAGRAZZDB-QFIPXVFZSA-N 2 1 408.590 3.815 20 0 HHADMP C[C@H]1CCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000465616446 990002517 /nfs/dbraw/zinc/00/25/17/990002517.db2.gz SKUANBAGRAZZDB-QFIPXVFZSA-N 2 1 408.590 3.815 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ccccc1OC1CCCC1 ZINC000465646867 990033183 /nfs/dbraw/zinc/03/31/83/990033183.db2.gz SYJKNWIURDUAGE-OAQYLSRUSA-N 2 1 416.610 3.566 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1oc2ccccc2c1C ZINC000465650847 990037095 /nfs/dbraw/zinc/03/70/95/990037095.db2.gz DATHXGFQGIJJML-RTBURBONSA-N 2 1 400.567 3.860 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)NCC3CC[NH+](Cc4ccccc4)CC3)CC2)[nH+]c1 ZINC000465717426 990102957 /nfs/dbraw/zinc/10/29/57/990102957.db2.gz LNBJKLMRIIFHQI-UHFFFAOYSA-N 2 1 421.589 3.570 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465745800 990131120 /nfs/dbraw/zinc/13/11/20/990131120.db2.gz GHGLDOSEIMVZPB-PFATUAPWSA-N 2 1 420.601 3.985 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465745800 990131122 /nfs/dbraw/zinc/13/11/22/990131122.db2.gz GHGLDOSEIMVZPB-PFATUAPWSA-N 2 1 420.601 3.985 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465745800 990131124 /nfs/dbraw/zinc/13/11/24/990131124.db2.gz GHGLDOSEIMVZPB-PFATUAPWSA-N 2 1 420.601 3.985 20 0 HHADMP CCCC[NH+]1CCC(NC(=O)N(CC)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000465784593 990167003 /nfs/dbraw/zinc/16/70/03/990167003.db2.gz QBWZZAAHWVSYAG-JOCHJYFZSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H](CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000465872570 990986436 /nfs/dbraw/zinc/98/64/36/990986436.db2.gz IJXIFDAXZCJOJU-URXFXBBRSA-N 2 1 408.590 3.670 20 0 HHADMP C[C@@H](CNC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000465872570 990986444 /nfs/dbraw/zinc/98/64/44/990986444.db2.gz IJXIFDAXZCJOJU-URXFXBBRSA-N 2 1 408.590 3.670 20 0 HHADMP C[C@@H](CNC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000465872570 990986454 /nfs/dbraw/zinc/98/64/54/990986454.db2.gz IJXIFDAXZCJOJU-URXFXBBRSA-N 2 1 408.590 3.670 20 0 HHADMP CC(C)[C@H](CNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[NH+]1CCCC1 ZINC000465894670 991022068 /nfs/dbraw/zinc/02/20/68/991022068.db2.gz NQOFXSUZJZTECK-QHCPKHFHSA-N 2 1 412.578 3.831 20 0 HHADMP CC(C)[C@H](CNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[NH+]1CCCC1 ZINC000465894670 991022075 /nfs/dbraw/zinc/02/20/75/991022075.db2.gz NQOFXSUZJZTECK-QHCPKHFHSA-N 2 1 412.578 3.831 20 0 HHADMP C[C@H]1C[C@@H](N(C)C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC[N@H+]1C ZINC000465913946 991045374 /nfs/dbraw/zinc/04/53/74/991045374.db2.gz YNDHWCWLTFMXRD-PXNSSMCTSA-N 2 1 407.002 3.676 20 0 HHADMP CC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC)c1ccc(Cl)s1 ZINC000465939288 991076688 /nfs/dbraw/zinc/07/66/88/991076688.db2.gz RVBORJOETZLPGN-HZPDHXFCSA-N 2 1 401.020 3.910 20 0 HHADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000465956684 991098156 /nfs/dbraw/zinc/09/81/56/991098156.db2.gz PLXFTNHZOYNGLE-UHFFFAOYSA-N 2 1 423.605 3.912 20 0 HHADMP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000466004134 991169121 /nfs/dbraw/zinc/16/91/21/991169121.db2.gz IJCOCCUHWFUAAS-JOCHJYFZSA-N 2 1 412.578 3.927 20 0 HHADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000466004134 991169126 /nfs/dbraw/zinc/16/91/26/991169126.db2.gz IJCOCCUHWFUAAS-JOCHJYFZSA-N 2 1 412.578 3.927 20 0 HHADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000466004134 991169130 /nfs/dbraw/zinc/16/91/30/991169130.db2.gz IJCOCCUHWFUAAS-JOCHJYFZSA-N 2 1 412.578 3.927 20 0 HHADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000466004134 991169134 /nfs/dbraw/zinc/16/91/34/991169134.db2.gz IJCOCCUHWFUAAS-JOCHJYFZSA-N 2 1 412.578 3.927 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC[N@@H+]1C ZINC000466049558 991219771 /nfs/dbraw/zinc/21/97/71/991219771.db2.gz LDTXQDQXQSTVFO-REWPJTCUSA-N 2 1 406.574 3.586 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC[N@H+]1C ZINC000466049558 991219776 /nfs/dbraw/zinc/21/97/76/991219776.db2.gz LDTXQDQXQSTVFO-REWPJTCUSA-N 2 1 406.574 3.586 20 0 HHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466299161 991550721 /nfs/dbraw/zinc/55/07/21/991550721.db2.gz SJYUFXKSZVDTGP-HXUWFJFHSA-N 2 1 406.640 3.866 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000466437291 991725956 /nfs/dbraw/zinc/72/59/56/991725956.db2.gz AEWVOCQNRBJSFX-YKSBVNFPSA-N 2 1 406.574 3.745 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]CC3CCC(C(F)(F)F)CC3)c2)C1 ZINC000466467015 991757062 /nfs/dbraw/zinc/75/70/62/991757062.db2.gz SXRDXAQIEIIDHN-AJPWXKBRSA-N 2 1 411.512 3.842 20 0 HHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000466535603 991836729 /nfs/dbraw/zinc/83/67/29/991836729.db2.gz GSIPPHHJZFMKKV-HYBUGGRVSA-N 2 1 408.590 3.943 20 0 HHADMP CC[NH+](CC)CCOC1CC[NH+](CC[S@@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000466729947 992039951 /nfs/dbraw/zinc/03/99/51/992039951.db2.gz CNWYHAXTKMNFHO-AREMUKBSSA-N 2 1 421.434 3.924 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000466797703 992104269 /nfs/dbraw/zinc/10/42/69/992104269.db2.gz XICPTBNSZRPYIN-GBXCKJPGSA-N 2 1 408.590 3.501 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000466863739 992183741 /nfs/dbraw/zinc/18/37/41/992183741.db2.gz QETPGVXQMHGISU-VWLOTQADSA-N 2 1 422.617 3.844 20 0 HHADMP O=[S@](CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1cc(Cl)ccc1Cl ZINC000466908903 992224287 /nfs/dbraw/zinc/22/42/87/992224287.db2.gz GHFRFMXETWAHNW-AREMUKBSSA-N 2 1 419.418 3.678 20 0 HHADMP C[NH+](C)CCc1ccc(CNC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000467085814 992391943 /nfs/dbraw/zinc/39/19/43/992391943.db2.gz QCZPFSWKGACLEA-UHFFFAOYSA-N 2 1 422.617 3.844 20 0 HHADMP COCC[C@@H]1CCCC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000467266015 992587918 /nfs/dbraw/zinc/58/79/18/992587918.db2.gz LTRBFPLGXLRYIP-SIKLNZKXSA-N 2 1 422.013 3.732 20 0 HHADMP COCC[C@@H]1CCCC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000467266015 992587926 /nfs/dbraw/zinc/58/79/26/992587926.db2.gz LTRBFPLGXLRYIP-SIKLNZKXSA-N 2 1 422.013 3.732 20 0 HHADMP COCC[C@H]1CCCC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000467266014 992588345 /nfs/dbraw/zinc/58/83/45/992588345.db2.gz LTRBFPLGXLRYIP-KNQAVFIVSA-N 2 1 422.013 3.732 20 0 HHADMP COCC[C@H]1CCCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000467266014 992588357 /nfs/dbraw/zinc/58/83/57/992588357.db2.gz LTRBFPLGXLRYIP-KNQAVFIVSA-N 2 1 422.013 3.732 20 0 HHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccnn1-c1ccccc1 ZINC000467314329 992637046 /nfs/dbraw/zinc/63/70/46/992637046.db2.gz UOTPHXMUKFBTMY-OFVILXPXSA-N 2 1 403.574 3.902 20 0 HHADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000467354623 992673022 /nfs/dbraw/zinc/67/30/22/992673022.db2.gz NDBXOQVHSAPDSM-SMIHKQSGSA-N 2 1 420.601 3.903 20 0 HHADMP O=C1c2ccccc2CCN1CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000467361877 992680496 /nfs/dbraw/zinc/68/04/96/992680496.db2.gz KJWZQGRKTWBAQQ-ICDZXHCJSA-N 2 1 403.570 3.575 20 0 HHADMP C[NH+](C)Cc1cc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)ccc1Cl ZINC000467760008 993004323 /nfs/dbraw/zinc/00/43/23/993004323.db2.gz REAULMAUZMMDKW-UHFFFAOYSA-N 2 1 415.965 3.858 20 0 HHADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467848805 993081020 /nfs/dbraw/zinc/08/10/20/993081020.db2.gz FBASTIUEPPAFJW-MOPGFXCFSA-N 2 1 415.603 3.813 20 0 HHADMP CCN(CCC[NH+]1CCCC1)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000472096250 993146451 /nfs/dbraw/zinc/14/64/51/993146451.db2.gz RTJUNYYHNSJEAM-OAQYLSRUSA-N 2 1 400.611 3.936 20 0 HHADMP Cc1ccc(N2CCC([NH2+][C@H](C)CCCCN3C(=O)c4ccccc4C3=O)CC2)[nH+]c1 ZINC000472146928 993201885 /nfs/dbraw/zinc/20/18/85/993201885.db2.gz DQBQDHUDUCLHMR-LJQANCHMSA-N 2 1 420.557 3.803 20 0 HHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000472269762 993292142 /nfs/dbraw/zinc/29/21/42/993292142.db2.gz XXTBMTNFKKIXKQ-KRWDZBQOSA-N 2 1 412.456 3.688 20 0 HHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000472269762 993292149 /nfs/dbraw/zinc/29/21/49/993292149.db2.gz XXTBMTNFKKIXKQ-KRWDZBQOSA-N 2 1 412.456 3.688 20 0 HHADMP C[C@H](c1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000472330321 993340136 /nfs/dbraw/zinc/34/01/36/993340136.db2.gz UMHBARQZOMPWSY-YFXJRYMSSA-N 2 1 408.546 3.647 20 0 HHADMP C[C@H](c1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000472330321 993340145 /nfs/dbraw/zinc/34/01/45/993340145.db2.gz UMHBARQZOMPWSY-YFXJRYMSSA-N 2 1 408.546 3.647 20 0 HHADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000472373206 993370245 /nfs/dbraw/zinc/37/02/45/993370245.db2.gz DHTCUGNMXYXXIC-HSZRJFAPSA-N 2 1 424.564 3.565 20 0 HHADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000472373206 993370249 /nfs/dbraw/zinc/37/02/49/993370249.db2.gz DHTCUGNMXYXXIC-HSZRJFAPSA-N 2 1 424.564 3.565 20 0 HHADMP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000472373206 993370252 /nfs/dbraw/zinc/37/02/52/993370252.db2.gz DHTCUGNMXYXXIC-HSZRJFAPSA-N 2 1 424.564 3.565 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000472373206 993370256 /nfs/dbraw/zinc/37/02/56/993370256.db2.gz DHTCUGNMXYXXIC-HSZRJFAPSA-N 2 1 424.564 3.565 20 0 HHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COc2cccc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000472575637 993543671 /nfs/dbraw/zinc/54/36/71/993543671.db2.gz VBVMIFTTWRCERN-BAGYTPMASA-N 2 1 407.558 3.893 20 0 HHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COc2cccc3[nH]ccc32)CC[N@H+]1Cc1ccccc1 ZINC000472575637 993543674 /nfs/dbraw/zinc/54/36/74/993543674.db2.gz VBVMIFTTWRCERN-BAGYTPMASA-N 2 1 407.558 3.893 20 0 HHADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COc2cccc3[nH]ccc32)CC[NH+]1Cc1ccccc1 ZINC000472575637 993543679 /nfs/dbraw/zinc/54/36/79/993543679.db2.gz VBVMIFTTWRCERN-BAGYTPMASA-N 2 1 407.558 3.893 20 0 HHADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)COc2cccc3[nH]ccc32)CC[NH+]1Cc1ccccc1 ZINC000472575637 993543685 /nfs/dbraw/zinc/54/36/85/993543685.db2.gz VBVMIFTTWRCERN-BAGYTPMASA-N 2 1 407.558 3.893 20 0 HHADMP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480718089 993586221 /nfs/dbraw/zinc/58/62/21/993586221.db2.gz UOYFUHANRQSZSR-OAQYLSRUSA-N 2 1 410.606 3.812 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000480717495 993586511 /nfs/dbraw/zinc/58/65/11/993586511.db2.gz SWAJLWRYADCJSZ-ZRCGQRJVSA-N 2 1 413.606 3.567 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000480717495 993586517 /nfs/dbraw/zinc/58/65/17/993586517.db2.gz SWAJLWRYADCJSZ-ZRCGQRJVSA-N 2 1 413.606 3.567 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000480717495 993586535 /nfs/dbraw/zinc/58/65/35/993586535.db2.gz SWAJLWRYADCJSZ-ZRCGQRJVSA-N 2 1 413.606 3.567 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000480717495 993586545 /nfs/dbraw/zinc/58/65/45/993586545.db2.gz SWAJLWRYADCJSZ-ZRCGQRJVSA-N 2 1 413.606 3.567 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)[C@@H](C)C1 ZINC000480721568 993589502 /nfs/dbraw/zinc/58/95/02/993589502.db2.gz NDZCNEWTAJVFTC-SVMVAKDDSA-N 2 1 402.583 3.758 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000472678195 993600190 /nfs/dbraw/zinc/60/01/90/993600190.db2.gz NYYQVFKYPJHADM-QFIPXVFZSA-N 2 1 407.558 3.752 20 0 HHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(-n2cccn2)cc1 ZINC000480783427 993650819 /nfs/dbraw/zinc/65/08/19/993650819.db2.gz ZZYQYXLUMPCFBY-OFVILXPXSA-N 2 1 403.574 3.902 20 0 HHADMP CC[NH+]1CCN(c2ccccc2NC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000472765202 993704920 /nfs/dbraw/zinc/70/49/20/993704920.db2.gz CFQDNHUYTMKDBB-OAQYLSRUSA-N 2 1 423.605 3.861 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)C(C)(C)c1ccccc1 ZINC000480897058 993755303 /nfs/dbraw/zinc/75/53/03/993755303.db2.gz DNJQNLUAPPMMNA-HXUWFJFHSA-N 2 1 409.574 3.803 20 0 HHADMP Cc1c([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cnn1-c1ccc(F)cc1 ZINC000480906295 993762084 /nfs/dbraw/zinc/76/20/84/993762084.db2.gz IAEYEYHECBCSCN-IBGZPJMESA-N 2 1 421.564 3.918 20 0 HHADMP Cc1cc([C@@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)c(C)s1 ZINC000480907134 993762749 /nfs/dbraw/zinc/76/27/49/993762749.db2.gz ZAMWNVGNYTXIAW-QGZVFWFLSA-N 2 1 401.576 3.877 20 0 HHADMP CCS[C@@H]1CCCC[N@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000481036853 993881128 /nfs/dbraw/zinc/88/11/28/993881128.db2.gz OCLPWLMNBFNTPW-SIKLNZKXSA-N 2 1 403.636 3.763 20 0 HHADMP CC(C)OCc1cccc(CNC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481177317 994008172 /nfs/dbraw/zinc/00/81/72/994008172.db2.gz UFNWZVILDNOXSF-PXDATVDWSA-N 2 1 423.601 3.728 20 0 HHADMP CC(C)OCc1cccc(CNC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481177317 994008183 /nfs/dbraw/zinc/00/81/83/994008183.db2.gz UFNWZVILDNOXSF-PXDATVDWSA-N 2 1 423.601 3.728 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000481198584 994032927 /nfs/dbraw/zinc/03/29/27/994032927.db2.gz OHBGMOOMEIAPKW-GJZUVCINSA-N 2 1 419.613 3.968 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000481198584 994032936 /nfs/dbraw/zinc/03/29/36/994032936.db2.gz OHBGMOOMEIAPKW-GJZUVCINSA-N 2 1 419.613 3.968 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cc(Br)ccc2F)[C@@H](C)C1 ZINC000481408182 994242513 /nfs/dbraw/zinc/24/25/13/994242513.db2.gz RPRAVBVMTSHSAV-HNAYVOBHSA-N 2 1 401.364 3.857 20 0 HHADMP O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000473517084 994370654 /nfs/dbraw/zinc/37/06/54/994370654.db2.gz GVFUEKJSYTWPOS-XVAXZDLZSA-N 2 1 423.523 3.963 20 0 HHADMP C[NH+](C)[C@H](C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cccc(Cl)c1 ZINC000473519822 994374444 /nfs/dbraw/zinc/37/44/44/994374444.db2.gz MMMCVGBAANDPBX-ABHNRTSZSA-N 2 1 417.903 3.864 20 0 HHADMP O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000473530025 994387483 /nfs/dbraw/zinc/38/74/83/994387483.db2.gz QLQWPBIOJVXTFX-DMKPSLHHSA-N 2 1 401.517 3.563 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000481561617 994396508 /nfs/dbraw/zinc/39/65/08/994396508.db2.gz KQYXNJLICTUGFS-AGHHOFFYSA-N 2 1 422.491 3.945 20 0 HHADMP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000473554125 994416716 /nfs/dbraw/zinc/41/67/16/994416716.db2.gz RFWMESWWCRTCFO-FQEVSTJZSA-N 2 1 401.570 3.951 20 0 HHADMP COc1cc(C)c(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1F ZINC000481674801 994534807 /nfs/dbraw/zinc/53/48/07/994534807.db2.gz KCAQLMVDXKNEKO-UHFFFAOYSA-N 2 1 420.573 3.803 20 0 HHADMP CC[C@H](Cc1ccccc1Br)[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000481835937 994688055 /nfs/dbraw/zinc/68/80/55/994688055.db2.gz IUBQGWVYJWCHHV-LJQANCHMSA-N 2 1 424.427 3.691 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)N(C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2)CC1 ZINC000473829625 994760796 /nfs/dbraw/zinc/76/07/96/994760796.db2.gz MEGNZLYUACHFQS-DEOSSOPVSA-N 2 1 421.589 3.567 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)NCc3ccccc3C[N@@H+](C)C(C)C)c2)CC1 ZINC000473832425 994763960 /nfs/dbraw/zinc/76/39/60/994763960.db2.gz ZOVZKUDSWQFXDD-UHFFFAOYSA-N 2 1 423.605 3.990 20 0 HHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481920953 994793154 /nfs/dbraw/zinc/79/31/54/994793154.db2.gz KMTAZIBDTPSPHV-HXUWFJFHSA-N 2 1 424.010 3.941 20 0 HHADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000481972940 994866062 /nfs/dbraw/zinc/86/60/62/994866062.db2.gz LFIPWBMKRJEUDS-LJQANCHMSA-N 2 1 407.624 3.776 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)C1CCC(F)(F)CC1 ZINC000474032207 995023474 /nfs/dbraw/zinc/02/34/74/995023474.db2.gz JIBKCNINVDMEOL-KRWDZBQOSA-N 2 1 409.521 3.651 20 0 HHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000482153410 995106951 /nfs/dbraw/zinc/10/69/51/995106951.db2.gz UCGFMTJFOKFCHR-DOTOQJQBSA-N 2 1 411.974 3.786 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(F)cc1OC(F)F ZINC000482258050 995236709 /nfs/dbraw/zinc/23/67/09/995236709.db2.gz DRUJSSZDAQNLHZ-AWEZNQCLSA-N 2 1 409.452 3.569 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccnn3-c3ccc(F)cc3)CC2)CC1 ZINC000474278701 995274176 /nfs/dbraw/zinc/27/41/76/995274176.db2.gz YIOJORUXIMWZOZ-UHFFFAOYSA-N 2 1 413.585 3.640 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000474325428 995307766 /nfs/dbraw/zinc/30/77/66/995307766.db2.gz UCFQKWHBTXAZAG-XMMPIXPASA-N 2 1 409.549 3.961 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474325428 995307769 /nfs/dbraw/zinc/30/77/69/995307769.db2.gz UCFQKWHBTXAZAG-XMMPIXPASA-N 2 1 409.549 3.961 20 0 HHADMP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000482338904 995317867 /nfs/dbraw/zinc/31/78/67/995317867.db2.gz YDRZOQVLYDASJQ-VWLOTQADSA-N 2 1 413.581 3.981 20 0 HHADMP COc1ccc2nc(C[NH2+]CCCN3CC[N@@H+](C)C[C@@H]3c3ccccc3)sc2c1 ZINC000474367597 995347487 /nfs/dbraw/zinc/34/74/87/995347487.db2.gz FGYSYUUNPIOFQX-OAQYLSRUSA-N 2 1 410.587 3.773 20 0 HHADMP CC[NH+]1CCN(c2ccccc2NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000474367880 995348340 /nfs/dbraw/zinc/34/83/40/995348340.db2.gz QJPDXVOLIZIKOD-JOCHJYFZSA-N 2 1 421.589 3.567 20 0 HHADMP C[C@H](C1CC1)n1nccc1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000482433510 995426002 /nfs/dbraw/zinc/42/60/02/995426002.db2.gz CQUWBWOCQLIYDW-GOSISDBHSA-N 2 1 416.614 3.514 20 0 HHADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000482446488 995444890 /nfs/dbraw/zinc/44/48/90/995444890.db2.gz PVGFDMQISRJDFI-GFCCVEGCSA-N 2 1 411.390 3.539 20 0 HHADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000482531380 995539973 /nfs/dbraw/zinc/53/99/73/995539973.db2.gz PYMBABHAAZIMIA-XZOQPEGZSA-N 2 1 410.606 3.696 20 0 HHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc2ccccc2c1OC(F)F ZINC000482543049 995551126 /nfs/dbraw/zinc/55/11/26/995551126.db2.gz KPCFKBLRKMHLMC-NVXWUHKLSA-N 2 1 405.489 3.679 20 0 HHADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc2ccccc2c1OC(F)F ZINC000482543049 995551135 /nfs/dbraw/zinc/55/11/35/995551135.db2.gz KPCFKBLRKMHLMC-NVXWUHKLSA-N 2 1 405.489 3.679 20 0 HHADMP Cn1cc(-c2ncc(C[NH2+]Cc3ccccc3C[N@@H+](C)C3CCCCC3)cn2)cn1 ZINC000474602832 995559347 /nfs/dbraw/zinc/55/93/47/995559347.db2.gz URVMUBCXDSZISI-UHFFFAOYSA-N 2 1 404.562 3.931 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000482554737 995561888 /nfs/dbraw/zinc/56/18/88/995561888.db2.gz MLEYDCSZLUDACK-RLWLMLJZSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000482554737 995561898 /nfs/dbraw/zinc/56/18/98/995561898.db2.gz MLEYDCSZLUDACK-RLWLMLJZSA-N 2 1 407.602 3.644 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CC4(CCC4)Oc4ccccc43)c2)C1 ZINC000482636700 995631429 /nfs/dbraw/zinc/63/14/29/995631429.db2.gz WPFFCURTADBJSQ-FYYLOGMGSA-N 2 1 419.569 3.920 20 0 HHADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482643705 995638415 /nfs/dbraw/zinc/63/84/15/995638415.db2.gz QGWQQJPTZHOXKV-PWAGRJGVSA-N 2 1 409.549 3.936 20 0 HHADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000482809061 995764447 /nfs/dbraw/zinc/76/44/47/995764447.db2.gz CEVUJIVBLNGVCY-LPHOPBHVSA-N 2 1 415.965 3.897 20 0 HHADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000474903853 995790902 /nfs/dbraw/zinc/79/09/02/995790902.db2.gz ZIQVHOPMDSJCDE-MRXNPFEDSA-N 2 1 406.534 3.849 20 0 HHADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000474903853 995790908 /nfs/dbraw/zinc/79/09/08/995790908.db2.gz ZIQVHOPMDSJCDE-MRXNPFEDSA-N 2 1 406.534 3.849 20 0 HHADMP Cc1nc(-c2cc([C@@H](C)[NH2+]C3CC[NH+](CCC(=O)N(C)C)CC3)cs2)cs1 ZINC000482855965 995795033 /nfs/dbraw/zinc/79/50/33/995795033.db2.gz JHQUMEKQWPLBLG-CQSZACIVSA-N 2 1 406.621 3.773 20 0 HHADMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000482883927 995816367 /nfs/dbraw/zinc/81/63/67/995816367.db2.gz DGWPGTIHNZGVRX-OAHLLOKOSA-N 2 1 417.541 3.934 20 0 HHADMP O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000482911036 995839757 /nfs/dbraw/zinc/83/97/57/995839757.db2.gz LMPQZGXQJFYACV-NRFANRHFSA-N 2 1 401.620 3.519 20 0 HHADMP CN(C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475006871 995863388 /nfs/dbraw/zinc/86/33/88/995863388.db2.gz AIRGRGOJXUALKV-YADHBBJMSA-N 2 1 410.562 3.723 20 0 HHADMP CCN(C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475035864 995884827 /nfs/dbraw/zinc/88/48/27/995884827.db2.gz ZSQFUSZGGQAQEE-FCHUYYIVSA-N 2 1 410.562 3.723 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000475105707 995924927 /nfs/dbraw/zinc/92/49/27/995924927.db2.gz DYTNOSOJVKLMKL-VWLOTQADSA-N 2 1 412.622 3.805 20 0 HHADMP CN(C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475132134 995943450 /nfs/dbraw/zinc/94/34/50/995943450.db2.gz GWLOMFADELOMJE-XMMPIXPASA-N 2 1 406.574 3.698 20 0 HHADMP CN(C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475132133 995943512 /nfs/dbraw/zinc/94/35/12/995943512.db2.gz GWLOMFADELOMJE-DEOSSOPVSA-N 2 1 406.574 3.698 20 0 HHADMP CCc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)cs1 ZINC000483201308 996034743 /nfs/dbraw/zinc/03/47/43/996034743.db2.gz QFXKEULRYUAKMY-LJQANCHMSA-N 2 1 418.651 3.688 20 0 HHADMP CCc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)CC2)cs1 ZINC000483201308 996034746 /nfs/dbraw/zinc/03/47/46/996034746.db2.gz QFXKEULRYUAKMY-LJQANCHMSA-N 2 1 418.651 3.688 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475290194 996048348 /nfs/dbraw/zinc/04/83/48/996048348.db2.gz GTVQBWGWKBPHMX-NQHRYMMQSA-N 2 1 420.601 3.813 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475290194 996048352 /nfs/dbraw/zinc/04/83/52/996048352.db2.gz GTVQBWGWKBPHMX-NQHRYMMQSA-N 2 1 420.601 3.813 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475290194 996048356 /nfs/dbraw/zinc/04/83/56/996048356.db2.gz GTVQBWGWKBPHMX-NQHRYMMQSA-N 2 1 420.601 3.813 20 0 HHADMP C[C@H](NC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000483238315 996054020 /nfs/dbraw/zinc/05/40/20/996054020.db2.gz WQKMZAOXKJPFAZ-BPUDTRNYSA-N 2 1 412.622 3.849 20 0 HHADMP C[C@H](NC(=O)NC[C@H](C1CC1)[NH+](C)Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000483238315 996054022 /nfs/dbraw/zinc/05/40/22/996054022.db2.gz WQKMZAOXKJPFAZ-BPUDTRNYSA-N 2 1 412.622 3.849 20 0 HHADMP C[C@H](NC(=O)NC[C@H](C1CC1)[NH+](C)Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000483238315 996054023 /nfs/dbraw/zinc/05/40/23/996054023.db2.gz WQKMZAOXKJPFAZ-BPUDTRNYSA-N 2 1 412.622 3.849 20 0 HHADMP Cc1cc(-c2noc(C[NH+]3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n2)ccc1F ZINC000483267538 996071769 /nfs/dbraw/zinc/07/17/69/996071769.db2.gz MJTBPUGUFJLANZ-CALCHBBNSA-N 2 1 402.514 3.505 20 0 HHADMP Cc1cc(-c2noc(C[NH+]3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n2)ccc1F ZINC000483267538 996071774 /nfs/dbraw/zinc/07/17/74/996071774.db2.gz MJTBPUGUFJLANZ-CALCHBBNSA-N 2 1 402.514 3.505 20 0 HHADMP CC(C)N(C)c1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000483271415 996073206 /nfs/dbraw/zinc/07/32/06/996073206.db2.gz XVOZIHDYSZPUDF-UHFFFAOYSA-N 2 1 401.643 3.554 20 0 HHADMP CN(c1ccccc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000475346573 996081473 /nfs/dbraw/zinc/08/14/73/996081473.db2.gz CWLJLVOVJAZQEA-PLQXJYEYSA-N 2 1 418.629 3.781 20 0 HHADMP CN(c1ccccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)C1CC[NH+](C)CC1 ZINC000475346573 996081482 /nfs/dbraw/zinc/08/14/82/996081482.db2.gz CWLJLVOVJAZQEA-PLQXJYEYSA-N 3 1 418.629 3.781 20 0 HHADMP CN(c1ccccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)C1CC[NH+](C)CC1 ZINC000475346573 996081488 /nfs/dbraw/zinc/08/14/88/996081488.db2.gz CWLJLVOVJAZQEA-PLQXJYEYSA-N 3 1 418.629 3.781 20 0 HHADMP CN(c1ccccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)C1CC[NH+](C)CC1 ZINC000475346573 996081492 /nfs/dbraw/zinc/08/14/92/996081492.db2.gz CWLJLVOVJAZQEA-PLQXJYEYSA-N 3 1 418.629 3.781 20 0 HHADMP CN(c1ccccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)C1CC[NH+](C)CC1 ZINC000475346573 996081502 /nfs/dbraw/zinc/08/15/02/996081502.db2.gz CWLJLVOVJAZQEA-PLQXJYEYSA-N 3 1 418.629 3.781 20 0 HHADMP CC[NH+](CC)CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000475555278 996216801 /nfs/dbraw/zinc/21/68/01/996216801.db2.gz QEOXKEZJRAMMJM-HSZRJFAPSA-N 2 1 409.574 3.754 20 0 HHADMP C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000483627394 996295186 /nfs/dbraw/zinc/29/51/86/996295186.db2.gz VGPBWIIBOYAGQS-QRWLVFNGSA-N 2 1 409.496 3.831 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000483673113 996321103 /nfs/dbraw/zinc/32/11/03/996321103.db2.gz SGEIYXJTORKISG-HSZRJFAPSA-N 2 1 400.611 3.660 20 0 HHADMP O=C(CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)Nc1ccc2c(c1)OCO2 ZINC000475736441 996335246 /nfs/dbraw/zinc/33/52/46/996335246.db2.gz HXRILRJWTNZTCP-RUZDIDTESA-N 2 1 421.541 3.732 20 0 HHADMP O=C(CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)Nc1ccc2c(c1)OCO2 ZINC000475736441 996335254 /nfs/dbraw/zinc/33/52/54/996335254.db2.gz HXRILRJWTNZTCP-RUZDIDTESA-N 2 1 421.541 3.732 20 0 HHADMP O=C(CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)Nc1ccc2c(c1)OCO2 ZINC000475736441 996335260 /nfs/dbraw/zinc/33/52/60/996335260.db2.gz HXRILRJWTNZTCP-RUZDIDTESA-N 2 1 421.541 3.732 20 0 HHADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[NH+](C2CCOCC2)CC1)C1CCCCC1 ZINC000475739624 996338088 /nfs/dbraw/zinc/33/80/88/996338088.db2.gz NLCHQJXLBBEVGI-UHFFFAOYSA-N 2 1 414.594 3.780 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)C[C@H]1C ZINC000483706354 996340192 /nfs/dbraw/zinc/34/01/92/996340192.db2.gz FEABBWONJQLFEO-PUHATCMVSA-N 2 1 400.611 3.974 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C[C@H]1C ZINC000483715164 996345250 /nfs/dbraw/zinc/34/52/50/996345250.db2.gz WLQJYZRQCPPZBI-QMMLZNLJSA-N 2 1 407.002 3.991 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C[C@H]1C ZINC000483736242 996357729 /nfs/dbraw/zinc/35/77/29/996357729.db2.gz XWUFURULOHRTGX-NFBKMPQASA-N 2 1 400.611 3.933 20 0 HHADMP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C[C@@H]1C ZINC000483774022 996378163 /nfs/dbraw/zinc/37/81/63/996378163.db2.gz CILPIXUYJBMLDX-UGKGYDQZSA-N 2 1 412.578 3.926 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C[C@@H]1C ZINC000483774022 996378169 /nfs/dbraw/zinc/37/81/69/996378169.db2.gz CILPIXUYJBMLDX-UGKGYDQZSA-N 2 1 412.578 3.926 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C[C@@H]1C ZINC000483774022 996378174 /nfs/dbraw/zinc/37/81/74/996378174.db2.gz CILPIXUYJBMLDX-UGKGYDQZSA-N 2 1 412.578 3.926 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C[C@@H]1C ZINC000483774022 996378181 /nfs/dbraw/zinc/37/81/81/996378181.db2.gz CILPIXUYJBMLDX-UGKGYDQZSA-N 2 1 412.578 3.926 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000475900423 996454798 /nfs/dbraw/zinc/45/47/98/996454798.db2.gz WAYCKBFLYIEERO-VWLOTQADSA-N 2 1 412.622 3.806 20 0 HHADMP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000483921767 996470336 /nfs/dbraw/zinc/47/03/36/996470336.db2.gz BYZUHPGPLFPTED-UGKGYDQZSA-N 2 1 402.583 3.712 20 0 HHADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000483921767 996470339 /nfs/dbraw/zinc/47/03/39/996470339.db2.gz BYZUHPGPLFPTED-UGKGYDQZSA-N 2 1 402.583 3.712 20 0 HHADMP C[C@H](NC(=O)NCCC[N@@H+](C)Cc1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000483974564 996501104 /nfs/dbraw/zinc/50/11/04/996501104.db2.gz MFPNBIDRGNQKME-URXFXBBRSA-N 2 1 408.590 3.718 20 0 HHADMP C[C@H](NC(=O)NCCC[NH+](C)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000483974564 996501107 /nfs/dbraw/zinc/50/11/07/996501107.db2.gz MFPNBIDRGNQKME-URXFXBBRSA-N 2 1 408.590 3.718 20 0 HHADMP C[C@H](NC(=O)NCCC[NH+](C)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000483974564 996501110 /nfs/dbraw/zinc/50/11/10/996501110.db2.gz MFPNBIDRGNQKME-URXFXBBRSA-N 2 1 408.590 3.718 20 0 HHADMP C[C@H](CNC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000483979274 996503093 /nfs/dbraw/zinc/50/30/93/996503093.db2.gz PNLFWGVALONTNU-DPLHUUCSSA-N 2 1 420.601 3.643 20 0 HHADMP C[C@H](CNC(=O)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000483979274 996503098 /nfs/dbraw/zinc/50/30/98/996503098.db2.gz PNLFWGVALONTNU-DPLHUUCSSA-N 2 1 420.601 3.643 20 0 HHADMP C[C@H](CNC(=O)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000483979274 996503101 /nfs/dbraw/zinc/50/31/01/996503101.db2.gz PNLFWGVALONTNU-DPLHUUCSSA-N 2 1 420.601 3.643 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000476564313 997058640 /nfs/dbraw/zinc/05/86/40/997058640.db2.gz KVLZFGBXNZBLPR-WQYPUDFKSA-N 2 1 420.601 3.654 20 0 HHADMP COc1cccc([C@H](CNC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)[NH+]2CCCC2)c1 ZINC000476624013 997143552 /nfs/dbraw/zinc/14/35/52/997143552.db2.gz HZCOJVPRTFKCRQ-RDPSFJRHSA-N 2 1 424.589 3.652 20 0 HHADMP C[C@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000476681965 997220839 /nfs/dbraw/zinc/22/08/39/997220839.db2.gz RMPKETKHVIOQIG-DYESRHJHSA-N 2 1 402.970 3.762 20 0 HHADMP C[C@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000476681965 997220848 /nfs/dbraw/zinc/22/08/48/997220848.db2.gz RMPKETKHVIOQIG-DYESRHJHSA-N 2 1 402.970 3.762 20 0 HHADMP C[C@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000476710741 997251987 /nfs/dbraw/zinc/25/19/87/997251987.db2.gz VVYMZARWMLOGEL-QUCCMNQESA-N 2 1 400.592 3.705 20 0 HHADMP CC[NH+](CC)CCOc1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)ccc1OC ZINC000476807827 997360735 /nfs/dbraw/zinc/36/07/35/997360735.db2.gz NZFIPLAVUXPTBJ-UYAOXDASSA-N 2 1 420.598 3.610 20 0 HHADMP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476983140 997605956 /nfs/dbraw/zinc/60/59/56/997605956.db2.gz KNKCHTVWUSLBNN-TXTKFYIRSA-N 2 1 413.606 3.991 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)NCc3ccc(C[N@H+]4CCCC[C@@H]4C)cc3)CC2)c1 ZINC000485278159 997672983 /nfs/dbraw/zinc/67/29/83/997672983.db2.gz SHJYNIHTWOMAHF-NRFANRHFSA-N 2 1 421.589 3.796 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)NCc3ccc(C[N@@H+]4CCCC[C@@H]4C)cc3)CC2)c1 ZINC000485278159 997672990 /nfs/dbraw/zinc/67/29/90/997672990.db2.gz SHJYNIHTWOMAHF-NRFANRHFSA-N 2 1 421.589 3.796 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)NCc3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)CC2)c1 ZINC000485289651 997689363 /nfs/dbraw/zinc/68/93/63/997689363.db2.gz IGFYVIGGLAECLB-NRFANRHFSA-N 2 1 421.589 3.654 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)NCc3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)CC2)c1 ZINC000485289651 997689371 /nfs/dbraw/zinc/68/93/71/997689371.db2.gz IGFYVIGGLAECLB-NRFANRHFSA-N 2 1 421.589 3.654 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1Cl ZINC000485453546 997896280 /nfs/dbraw/zinc/89/62/80/997896280.db2.gz KANWCFKGLPPHJT-DUXKGJEZSA-N 2 1 407.002 3.849 20 0 HHADMP C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@H](C[NH+]3CCc4ccccc4C3)C(C)(C)C)CC[C@H]21 ZINC000485775291 998250358 /nfs/dbraw/zinc/25/03/58/998250358.db2.gz RVLROIHZFMYQIO-DNVJHFABSA-N 2 1 412.622 3.585 20 0 HHADMP C[NH+]1CCC[C@@H]2CN(C(=O)N[C@H](C[N@@H+]3CCc4ccccc4C3)C(C)(C)C)CC[C@H]21 ZINC000485775291 998250368 /nfs/dbraw/zinc/25/03/68/998250368.db2.gz RVLROIHZFMYQIO-DNVJHFABSA-N 2 1 412.622 3.585 20 0 HHADMP C[NH+]1CCC[C@@H]2CN(C(=O)N[C@H](C[N@H+]3CCc4ccccc4C3)C(C)(C)C)CC[C@H]21 ZINC000485775291 998250377 /nfs/dbraw/zinc/25/03/77/998250377.db2.gz RVLROIHZFMYQIO-DNVJHFABSA-N 2 1 412.622 3.585 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000486104465 998552182 /nfs/dbraw/zinc/55/21/82/998552182.db2.gz AZLHHBICELNYFP-GGAORHGYSA-N 2 1 410.562 3.537 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000486104465 998552190 /nfs/dbraw/zinc/55/21/90/998552190.db2.gz AZLHHBICELNYFP-GGAORHGYSA-N 2 1 410.562 3.537 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000486104465 998552199 /nfs/dbraw/zinc/55/21/99/998552199.db2.gz AZLHHBICELNYFP-GGAORHGYSA-N 2 1 410.562 3.537 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000486104465 998552206 /nfs/dbraw/zinc/55/22/06/998552206.db2.gz AZLHHBICELNYFP-GGAORHGYSA-N 2 1 410.562 3.537 20 0 HHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000486180872 998624734 /nfs/dbraw/zinc/62/47/34/998624734.db2.gz TYUGTNUMRYDRMD-YJBOKZPZSA-N 2 1 405.493 3.835 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000486272457 998689554 /nfs/dbraw/zinc/68/95/54/998689554.db2.gz AYIVHSXHBJDCPJ-VXKWHMMOSA-N 2 1 420.548 3.662 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000486272457 998689555 /nfs/dbraw/zinc/68/95/55/998689555.db2.gz AYIVHSXHBJDCPJ-VXKWHMMOSA-N 2 1 420.548 3.662 20 0 HHADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000478053713 998738542 /nfs/dbraw/zinc/73/85/42/998738542.db2.gz MWUCHVKDKNYIFM-ROUUACIJSA-N 2 1 401.551 3.719 20 0 HHADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000478053713 998738546 /nfs/dbraw/zinc/73/85/46/998738546.db2.gz MWUCHVKDKNYIFM-ROUUACIJSA-N 2 1 401.551 3.719 20 0 HHADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000478053713 998738547 /nfs/dbraw/zinc/73/85/47/998738547.db2.gz MWUCHVKDKNYIFM-ROUUACIJSA-N 2 1 401.551 3.719 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccc(C[NH+]2CCSCC2)cc1)C1CC1 ZINC000478331824 998893496 /nfs/dbraw/zinc/89/34/96/998893496.db2.gz RTIJAQQNHKTOPH-XMMPIXPASA-N 2 1 423.626 3.876 20 0 HHADMP CC(C)(CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C[NH+]1CCCC1 ZINC000478423089 998949947 /nfs/dbraw/zinc/94/99/47/998949947.db2.gz XCMYOKRPPKQNEV-VWLOTQADSA-N 2 1 412.622 3.806 20 0 HHADMP CC[NH+]1CCN(CCCC[NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000486961862 999019572 /nfs/dbraw/zinc/01/95/72/999019572.db2.gz BPCIFMSICBVCBK-UHFFFAOYSA-N 2 1 409.500 3.603 20 0 HHADMP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000487966745 999330519 /nfs/dbraw/zinc/33/05/19/999330519.db2.gz JEGHVNQIPPRZPB-MAODMQOUSA-N 2 1 408.537 3.520 20 0 HHADMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000487966745 999330521 /nfs/dbraw/zinc/33/05/21/999330521.db2.gz JEGHVNQIPPRZPB-MAODMQOUSA-N 2 1 408.537 3.520 20 0 HHADMP CCC[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000487966745 999330522 /nfs/dbraw/zinc/33/05/22/999330522.db2.gz JEGHVNQIPPRZPB-MAODMQOUSA-N 2 1 408.537 3.520 20 0 HHADMP CCC[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000487966745 999330525 /nfs/dbraw/zinc/33/05/25/999330525.db2.gz JEGHVNQIPPRZPB-MAODMQOUSA-N 2 1 408.537 3.520 20 0 HHADMP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2csc(-c3ccoc3)n2)CC1 ZINC000487993367 999340108 /nfs/dbraw/zinc/34/01/08/999340108.db2.gz NNGPQTSJXHDDRA-UHFFFAOYSA-N 2 1 416.591 3.607 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488014263 999348959 /nfs/dbraw/zinc/34/89/59/999348959.db2.gz MWMCDXODQBOYCT-GDKQOWJMSA-N 2 1 406.574 3.642 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488014263 999348963 /nfs/dbraw/zinc/34/89/63/999348963.db2.gz MWMCDXODQBOYCT-GDKQOWJMSA-N 2 1 406.574 3.642 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488014263 999348967 /nfs/dbraw/zinc/34/89/67/999348967.db2.gz MWMCDXODQBOYCT-GDKQOWJMSA-N 2 1 406.574 3.642 20 0 HHADMP COc1cc2c(cc1OC)[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)CC2 ZINC000479335909 999391420 /nfs/dbraw/zinc/39/14/20/999391420.db2.gz MYJSKKXDVGPXLT-PKTZIBPZSA-N 2 1 409.574 3.660 20 0 HHADMP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CC3)[C@H]2c2cccc(OC)c2)CC1 ZINC000488273076 999419309 /nfs/dbraw/zinc/41/93/09/999419309.db2.gz ODMWPPFKXPFMEI-PKTZIBPZSA-N 2 1 414.594 3.537 20 0 HHADMP COc1c(Br)cccc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000479446914 999421614 /nfs/dbraw/zinc/42/16/14/999421614.db2.gz OYFUPZBOMWLIIB-LJQANCHMSA-N 2 1 419.363 3.704 20 0 HHADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)CCC(F)(F)F ZINC000488340416 999448054 /nfs/dbraw/zinc/44/80/54/999448054.db2.gz QLVWJQKFVQSXND-XOKHGSTOSA-N 2 1 405.892 3.579 20 0 HHADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)CCC(F)(F)F ZINC000488340416 999448056 /nfs/dbraw/zinc/44/80/56/999448056.db2.gz QLVWJQKFVQSXND-XOKHGSTOSA-N 2 1 405.892 3.579 20 0 HHADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000488340416 999448057 /nfs/dbraw/zinc/44/80/57/999448057.db2.gz QLVWJQKFVQSXND-XOKHGSTOSA-N 2 1 405.892 3.579 20 0 HHADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000488340416 999448059 /nfs/dbraw/zinc/44/80/59/999448059.db2.gz QLVWJQKFVQSXND-XOKHGSTOSA-N 2 1 405.892 3.579 20 0 HHADMP Cc1cc2[nH]c(C[NH2+]Cc3cccc(C[N@H+]4CCC[C@@H](C(N)=O)C4)c3)cc2c(C)c1 ZINC000479544262 999470008 /nfs/dbraw/zinc/47/00/08/999470008.db2.gz MVKJSTHWBWWRSY-OAQYLSRUSA-N 2 1 404.558 3.772 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000488474402 999499182 /nfs/dbraw/zinc/49/91/82/999499182.db2.gz YJDJGKADWBNAQB-SDUSCBPUSA-N 2 1 405.586 3.925 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000488474402 999499185 /nfs/dbraw/zinc/49/91/85/999499185.db2.gz YJDJGKADWBNAQB-SDUSCBPUSA-N 2 1 405.586 3.925 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000488474402 999499188 /nfs/dbraw/zinc/49/91/88/999499188.db2.gz YJDJGKADWBNAQB-SDUSCBPUSA-N 2 1 405.586 3.925 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000488576466 999533246 /nfs/dbraw/zinc/53/32/46/999533246.db2.gz CKEAYLUBOPBCQJ-MTNREXPMSA-N 2 1 422.564 3.862 20 0 HHADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000488576466 999533250 /nfs/dbraw/zinc/53/32/50/999533250.db2.gz CKEAYLUBOPBCQJ-MTNREXPMSA-N 2 1 422.564 3.862 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000488576466 999533252 /nfs/dbraw/zinc/53/32/52/999533252.db2.gz CKEAYLUBOPBCQJ-MTNREXPMSA-N 2 1 422.564 3.862 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000488576466 999533256 /nfs/dbraw/zinc/53/32/56/999533256.db2.gz CKEAYLUBOPBCQJ-MTNREXPMSA-N 2 1 422.564 3.862 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000488576466 999533261 /nfs/dbraw/zinc/53/32/61/999533261.db2.gz CKEAYLUBOPBCQJ-MTNREXPMSA-N 2 1 422.564 3.862 20 0 HHADMP C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488596047 999540185 /nfs/dbraw/zinc/54/01/85/999540185.db2.gz NAFKMLCWVLDGOI-PXDATVDWSA-N 2 1 420.601 3.992 20 0 HHADMP C[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488642415 999555568 /nfs/dbraw/zinc/55/55/68/999555568.db2.gz IUMAXZVUQRAWBX-UNMCSNQZSA-N 2 1 412.622 3.993 20 0 HHADMP C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488648224 999557650 /nfs/dbraw/zinc/55/76/50/999557650.db2.gz XKJBYELSZJEQHR-NRTAZHGZSA-N 2 1 410.606 3.555 20 0 HHADMP C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488648224 999557656 /nfs/dbraw/zinc/55/76/56/999557656.db2.gz XKJBYELSZJEQHR-NRTAZHGZSA-N 2 1 410.606 3.555 20 0 HHADMP C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488648224 999557659 /nfs/dbraw/zinc/55/76/59/999557659.db2.gz XKJBYELSZJEQHR-NRTAZHGZSA-N 2 1 410.606 3.555 20 0 HHADMP C[N@@H+](CCN(Cc1ccccc1)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000489333066 999747219 /nfs/dbraw/zinc/74/72/19/999747219.db2.gz PXICZLVFBLCJEJ-DQEYMECFSA-N 2 1 420.601 3.957 20 0 HHADMP C[NH+](CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000489333066 999747220 /nfs/dbraw/zinc/74/72/20/999747220.db2.gz PXICZLVFBLCJEJ-DQEYMECFSA-N 2 1 420.601 3.957 20 0 HHADMP C[NH+](CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000489333066 999747222 /nfs/dbraw/zinc/74/72/22/999747222.db2.gz PXICZLVFBLCJEJ-DQEYMECFSA-N 2 1 420.601 3.957 20 0 HHADMP C[C@@H]1CN(C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)CC[N@@H+](C2CCC2)C1 ZINC000489352169 999750395 /nfs/dbraw/zinc/75/03/95/999750395.db2.gz BJRBPUDZBDQAKU-FQEVSTJZSA-N 2 1 424.589 3.927 20 0 HHADMP C[C@@H]1CN(C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)CC[N@H+](C2CCC2)C1 ZINC000489352169 999750397 /nfs/dbraw/zinc/75/03/97/999750397.db2.gz BJRBPUDZBDQAKU-FQEVSTJZSA-N 2 1 424.589 3.927 20 0 HHADMP C[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CC[NH+](C2CCC2)C1 ZINC000489352169 999750399 /nfs/dbraw/zinc/75/03/99/999750399.db2.gz BJRBPUDZBDQAKU-FQEVSTJZSA-N 2 1 424.589 3.927 20 0 HHADMP C[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CC[NH+](C2CCC2)C1 ZINC000489352169 999750401 /nfs/dbraw/zinc/75/04/01/999750401.db2.gz BJRBPUDZBDQAKU-FQEVSTJZSA-N 2 1 424.589 3.927 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000480315489 999769560 /nfs/dbraw/zinc/76/95/60/999769560.db2.gz PKDNBYJBSQMFKP-PXDATVDWSA-N 2 1 420.601 3.590 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000480315489 999769562 /nfs/dbraw/zinc/76/95/62/999769562.db2.gz PKDNBYJBSQMFKP-PXDATVDWSA-N 2 1 420.601 3.590 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)[nH+]1 ZINC000489535818 999786887 /nfs/dbraw/zinc/78/68/87/999786887.db2.gz WWOBIAQERKCFEG-WMZHIEFXSA-N 2 1 421.589 3.569 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)CC2)[nH+]1 ZINC000489535818 999786890 /nfs/dbraw/zinc/78/68/90/999786890.db2.gz WWOBIAQERKCFEG-WMZHIEFXSA-N 2 1 421.589 3.569 20 0 HHADMP Cc1ccc([C@H](OC[C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c2ccccc2)cc1 ZINC000480394511 999788429 /nfs/dbraw/zinc/78/84/29/999788429.db2.gz OMXIUQIQTCPVEF-FXSWLTOZSA-N 2 1 408.586 3.878 20 0 HHADMP Cc1ccc([C@H](OC[C@H](O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c2ccccc2)cc1 ZINC000480394511 999788432 /nfs/dbraw/zinc/78/84/32/999788432.db2.gz OMXIUQIQTCPVEF-FXSWLTOZSA-N 2 1 408.586 3.878 20 0 HHADMP Cc1ccc([C@H](OC[C@H](O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c2ccccc2)cc1 ZINC000480394511 999788435 /nfs/dbraw/zinc/78/84/35/999788435.db2.gz OMXIUQIQTCPVEF-FXSWLTOZSA-N 2 1 408.586 3.878 20 0 HHADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000480612504 999840920 /nfs/dbraw/zinc/84/09/20/999840920.db2.gz PCVCLOQGRHLGNT-MOPGFXCFSA-N 2 1 415.603 3.677 20 0 HHADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000480613993 999841628 /nfs/dbraw/zinc/84/16/28/999841628.db2.gz UYZIDMHKDPELRM-RBUKOAKNSA-N 2 1 415.603 3.677 20 0 HHADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1 ZINC000480613993 999841631 /nfs/dbraw/zinc/84/16/31/999841631.db2.gz UYZIDMHKDPELRM-RBUKOAKNSA-N 2 1 415.603 3.677 20 0 HHADMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)c2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000489904525 999859476 /nfs/dbraw/zinc/85/94/76/999859476.db2.gz DXTAEDAFDMIZRB-KRWDZBQOSA-N 2 1 402.539 3.629 20 0 HHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000480701651 999863257 /nfs/dbraw/zinc/86/32/57/999863257.db2.gz GJTIFSORNQTUCI-OAQYLSRUSA-N 2 1 403.574 3.861 20 0 HHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccncc2OC[C@@H]2CCOC2)C3)cc1 ZINC000490328376 999937704 /nfs/dbraw/zinc/93/77/04/999937704.db2.gz QVCRYUVXGFYPKC-BUZMGHMJSA-N 2 1 407.558 3.782 20 0 HHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccncc2OC[C@@H]2CCOC2)C3)cc1 ZINC000490328376 999937705 /nfs/dbraw/zinc/93/77/05/999937705.db2.gz QVCRYUVXGFYPKC-BUZMGHMJSA-N 2 1 407.558 3.782 20 0 HHADMP C[C@@H]1C[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490633352 999986927 /nfs/dbraw/zinc/98/69/27/999986927.db2.gz ZYCJXLRBTBLPHQ-WIYYLYMNSA-N 2 1 413.528 3.822 20 0 HHADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C[C@@H](C)C1 ZINC000490987265 1000030684 /nfs/dbraw/zinc/03/06/84/1000030684.db2.gz JECUWBIRVDRUDJ-BAMDZGJYSA-N 2 1 412.622 3.659 20 0 HHADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C[C@@H](C)C1 ZINC000490987265 1000030685 /nfs/dbraw/zinc/03/06/85/1000030685.db2.gz JECUWBIRVDRUDJ-BAMDZGJYSA-N 2 1 412.622 3.659 20 0 HHADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C[C@@H](C)C1 ZINC000490987265 1000030688 /nfs/dbraw/zinc/03/06/88/1000030688.db2.gz JECUWBIRVDRUDJ-BAMDZGJYSA-N 2 1 412.622 3.659 20 0 HHADMP C[C@H]1CN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC[N@H+](C2CCC2)C1 ZINC000490992440 1000031409 /nfs/dbraw/zinc/03/14/09/1000031409.db2.gz VXRBZEHVLHURID-NFBKMPQASA-N 2 1 412.622 3.803 20 0 HHADMP C[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC[NH+](C2CCC2)C1 ZINC000490992440 1000031411 /nfs/dbraw/zinc/03/14/11/1000031411.db2.gz VXRBZEHVLHURID-NFBKMPQASA-N 2 1 412.622 3.803 20 0 HHADMP C[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC[NH+](C2CCC2)C1 ZINC000490992440 1000031413 /nfs/dbraw/zinc/03/14/13/1000031413.db2.gz VXRBZEHVLHURID-NFBKMPQASA-N 2 1 412.622 3.803 20 0 HHADMP C[C@@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000491025337 1000035536 /nfs/dbraw/zinc/03/55/36/1000035536.db2.gz CLHXSCQKCMJRCN-NRFANRHFSA-N 2 1 405.586 3.804 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000491029605 1000036476 /nfs/dbraw/zinc/03/64/76/1000036476.db2.gz IWBWIELVNIGFCL-ZHRRBRCNSA-N 2 1 415.534 3.749 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000491062383 1000041265 /nfs/dbraw/zinc/04/12/65/1000041265.db2.gz REIXOBVBSRTLGY-OAQYLSRUSA-N 2 1 402.966 3.924 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)COCc2ccccc2F)CC1 ZINC000491076581 1000042904 /nfs/dbraw/zinc/04/29/04/1000042904.db2.gz PEJDFOQQPMIBLA-HSZRJFAPSA-N 2 1 400.538 3.547 20 0 HHADMP C[C@H]1CN(C(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@H+](C2CCC2)C1 ZINC000491123357 1000047675 /nfs/dbraw/zinc/04/76/75/1000047675.db2.gz KXRAJJOLINYZPY-FYYLOGMGSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@H]1CN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC[NH+](C2CCC2)C1 ZINC000491123357 1000047678 /nfs/dbraw/zinc/04/76/78/1000047678.db2.gz KXRAJJOLINYZPY-FYYLOGMGSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@H]1CN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC[NH+](C2CCC2)C1 ZINC000491123357 1000047680 /nfs/dbraw/zinc/04/76/80/1000047680.db2.gz KXRAJJOLINYZPY-FYYLOGMGSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[N@H+]1Cc1ccccc1 ZINC000491310776 1000063843 /nfs/dbraw/zinc/06/38/43/1000063843.db2.gz SBXYXIKSINILQF-CTNGQTDRSA-N 2 1 424.593 3.572 20 0 HHADMP Cn1cc([C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c2cccc(F)c2)cn1 ZINC000492226493 1000116301 /nfs/dbraw/zinc/11/63/01/1000116301.db2.gz VWARPLPRVHNVTG-XMMPIXPASA-N 2 1 408.521 3.913 20 0 HHADMP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000494046147 1000282008 /nfs/dbraw/zinc/28/20/08/1000282008.db2.gz CBKMRNMMFHXPIB-VWLOTQADSA-N 2 1 414.553 3.786 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@@H]3C)CC2)cc1)C(C)C ZINC000504660828 1000313846 /nfs/dbraw/zinc/31/38/46/1000313846.db2.gz CJQQEIUADOFTQQ-SZPZYZBQSA-N 2 1 414.638 3.548 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1)C(C)C ZINC000504660828 1000313861 /nfs/dbraw/zinc/31/38/61/1000313861.db2.gz CJQQEIUADOFTQQ-SZPZYZBQSA-N 2 1 414.638 3.548 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1)C(C)C ZINC000504660828 1000313867 /nfs/dbraw/zinc/31/38/67/1000313867.db2.gz CJQQEIUADOFTQQ-SZPZYZBQSA-N 2 1 414.638 3.548 20 0 HHADMP CC(C)(CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000504744980 1000351602 /nfs/dbraw/zinc/35/16/02/1000351602.db2.gz IAVVIRBFPSJGOM-JOCHJYFZSA-N 2 1 424.589 3.943 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000504776726 1000364891 /nfs/dbraw/zinc/36/48/91/1000364891.db2.gz AVSLOZXVWKPCQK-UHFFFAOYSA-N 2 1 400.611 3.587 20 0 HHADMP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000504882908 1000425615 /nfs/dbraw/zinc/42/56/15/1000425615.db2.gz QNPBVUIUFUIYMC-JOCHJYFZSA-N 2 1 421.589 3.615 20 0 HHADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000504977613 1000484145 /nfs/dbraw/zinc/48/41/45/1000484145.db2.gz SQPHFTQNOBXMPF-GOSISDBHSA-N 2 1 414.619 3.836 20 0 HHADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000504977613 1000484152 /nfs/dbraw/zinc/48/41/52/1000484152.db2.gz SQPHFTQNOBXMPF-GOSISDBHSA-N 2 1 414.619 3.836 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)C1CC[NH+](C2CC2)CC1 ZINC000494482877 1000517399 /nfs/dbraw/zinc/51/73/99/1000517399.db2.gz GMOWETCNJUMRAH-QFIPXVFZSA-N 2 1 409.599 3.838 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)C1CC[NH+](C2CC2)CC1 ZINC000494482877 1000517405 /nfs/dbraw/zinc/51/74/05/1000517405.db2.gz GMOWETCNJUMRAH-QFIPXVFZSA-N 2 1 409.599 3.838 20 0 HHADMP O=C(C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000505552837 1000898621 /nfs/dbraw/zinc/89/86/21/1000898621.db2.gz FKHPFFPLAIMFGA-RUZDIDTESA-N 2 1 421.585 3.580 20 0 HHADMP O=C(C[N@H+](Cc1ccccc1)C[C@H]1CCCO1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000505552837 1000898624 /nfs/dbraw/zinc/89/86/24/1000898624.db2.gz FKHPFFPLAIMFGA-RUZDIDTESA-N 2 1 421.585 3.580 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495420371 1001006095 /nfs/dbraw/zinc/00/60/95/1001006095.db2.gz HLQXPJCPGMFBOG-UEXGIBASSA-N 2 1 401.576 3.619 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000505760874 1001009995 /nfs/dbraw/zinc/00/99/95/1001009995.db2.gz ZJZAPGPBXOMXJE-NEWSRXKRSA-N 2 1 411.512 3.683 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000505760281 1001010234 /nfs/dbraw/zinc/01/02/34/1001010234.db2.gz OPYGIXAKKOAVGT-AABGKKOBSA-N 2 1 411.512 3.683 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(OC2CCCC2)c(OC)c1 ZINC000505803149 1001034396 /nfs/dbraw/zinc/03/43/96/1001034396.db2.gz UFDNXMFJBPEEQO-HXUWFJFHSA-N 2 1 417.594 3.505 20 0 HHADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000505995948 1001151006 /nfs/dbraw/zinc/15/10/06/1001151006.db2.gz KKENSRHRGWIDQW-UXHICEINSA-N 2 1 416.569 3.710 20 0 HHADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000505995948 1001151010 /nfs/dbraw/zinc/15/10/10/1001151010.db2.gz KKENSRHRGWIDQW-UXHICEINSA-N 2 1 416.569 3.710 20 0 HHADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000506008727 1001158735 /nfs/dbraw/zinc/15/87/35/1001158735.db2.gz FHROTFPOPYGAMT-OAQYLSRUSA-N 2 1 401.501 3.522 20 0 HHADMP C[NH+](C)Cc1ccc(C(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)cc1 ZINC000506128038 1001237492 /nfs/dbraw/zinc/23/74/92/1001237492.db2.gz YEZMEVNTIVMFLZ-UHFFFAOYSA-N 2 1 418.541 3.798 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2ccccc2N2CCOCC2)CC1 ZINC000506146120 1001247572 /nfs/dbraw/zinc/24/75/72/1001247572.db2.gz BCWFCGZAWBXYDH-UHFFFAOYSA-N 2 1 422.617 3.687 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)CC1 ZINC000506148103 1001248918 /nfs/dbraw/zinc/24/89/18/1001248918.db2.gz OMTADXMSNYBKPV-JOCHJYFZSA-N 2 1 418.589 3.641 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)c1 ZINC000506216874 1001284377 /nfs/dbraw/zinc/28/43/77/1001284377.db2.gz CYEWJNVHDMKMNI-QFIPXVFZSA-N 2 1 413.949 3.778 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000497502922 1001406147 /nfs/dbraw/zinc/40/61/47/1001406147.db2.gz IWAPOMUIRFGXFL-JTHBVZDNSA-N 2 1 410.562 3.537 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000497502922 1001406149 /nfs/dbraw/zinc/40/61/49/1001406149.db2.gz IWAPOMUIRFGXFL-JTHBVZDNSA-N 2 1 410.562 3.537 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000497502922 1001406151 /nfs/dbraw/zinc/40/61/51/1001406151.db2.gz IWAPOMUIRFGXFL-JTHBVZDNSA-N 2 1 410.562 3.537 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000497502922 1001406153 /nfs/dbraw/zinc/40/61/53/1001406153.db2.gz IWAPOMUIRFGXFL-JTHBVZDNSA-N 2 1 410.562 3.537 20 0 HHADMP C[C@@H]1CCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000497561390 1001435895 /nfs/dbraw/zinc/43/58/95/1001435895.db2.gz FQNAREOXYVICOF-OAQYLSRUSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@@H](CCNC(=O)NC1CC[NH+](CC2CCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000497565322 1001437807 /nfs/dbraw/zinc/43/78/07/1001437807.db2.gz ZLGXZTDBNSMEQI-FQEVSTJZSA-N 2 1 400.611 3.851 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)c1ccccc1Cl ZINC000498136170 1001657504 /nfs/dbraw/zinc/65/75/04/1001657504.db2.gz JZBOVPUTWAPZTD-DZFGPLHGSA-N 2 1 407.002 3.849 20 0 HHADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCc4sccc4C3)[C@H]2C1 ZINC000498137195 1001658290 /nfs/dbraw/zinc/65/82/90/1001658290.db2.gz UNVWUYMCCUNBKM-HJNYFJLDSA-N 2 1 424.614 3.583 20 0 HHADMP C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCc4sccc4C3)[C@H]2C1 ZINC000498137195 1001658293 /nfs/dbraw/zinc/65/82/93/1001658293.db2.gz UNVWUYMCCUNBKM-HJNYFJLDSA-N 2 1 424.614 3.583 20 0 HHADMP C[NH+]1CC[C@@H]2CCN(C(=O)NC[C@@H](c3ccccc3)[N@@H+]3CCc4sccc4C3)[C@H]2C1 ZINC000498137195 1001658296 /nfs/dbraw/zinc/65/82/96/1001658296.db2.gz UNVWUYMCCUNBKM-HJNYFJLDSA-N 2 1 424.614 3.583 20 0 HHADMP C[NH+]1CC[C@@H]2CCN(C(=O)NC[C@@H](c3ccccc3)[N@H+]3CCc4sccc4C3)[C@H]2C1 ZINC000498137195 1001658297 /nfs/dbraw/zinc/65/82/97/1001658297.db2.gz UNVWUYMCCUNBKM-HJNYFJLDSA-N 2 1 424.614 3.583 20 0 HHADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@H](c3ccccc3)[NH+]3CCc4sccc4C3)[C@@H]2C1 ZINC000498137188 1001658397 /nfs/dbraw/zinc/65/83/97/1001658397.db2.gz UNVWUYMCCUNBKM-CEMLEFRQSA-N 2 1 424.614 3.583 20 0 HHADMP C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@H](c3ccccc3)[NH+]3CCc4sccc4C3)[C@@H]2C1 ZINC000498137188 1001658400 /nfs/dbraw/zinc/65/84/00/1001658400.db2.gz UNVWUYMCCUNBKM-CEMLEFRQSA-N 2 1 424.614 3.583 20 0 HHADMP C[NH+]1CC[C@@H]2CCN(C(=O)NC[C@H](c3ccccc3)[N@@H+]3CCc4sccc4C3)[C@@H]2C1 ZINC000498137188 1001658406 /nfs/dbraw/zinc/65/84/06/1001658406.db2.gz UNVWUYMCCUNBKM-CEMLEFRQSA-N 2 1 424.614 3.583 20 0 HHADMP C[NH+]1CC[C@@H]2CCN(C(=O)NC[C@H](c3ccccc3)[N@H+]3CCc4sccc4C3)[C@@H]2C1 ZINC000498137188 1001658407 /nfs/dbraw/zinc/65/84/07/1001658407.db2.gz UNVWUYMCCUNBKM-CEMLEFRQSA-N 2 1 424.614 3.583 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000506948627 1001722553 /nfs/dbraw/zinc/72/25/53/1001722553.db2.gz HAINXUGGQMDBSZ-XQBPLPMBSA-N 2 1 404.574 3.724 20 0 HHADMP C[N@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000498273537 1001747534 /nfs/dbraw/zinc/74/75/34/1001747534.db2.gz CSZYWEGCWSKZOF-NLEAXPPASA-N 2 1 422.976 3.598 20 0 HHADMP C[NH+]1CC[C@@H](CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000498273537 1001747542 /nfs/dbraw/zinc/74/75/42/1001747542.db2.gz CSZYWEGCWSKZOF-NLEAXPPASA-N 2 1 422.976 3.598 20 0 HHADMP C[NH+]1CC[C@@H](CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000498273537 1001747548 /nfs/dbraw/zinc/74/75/48/1001747548.db2.gz CSZYWEGCWSKZOF-NLEAXPPASA-N 2 1 422.976 3.598 20 0 HHADMP CCC1(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC[NH+](Cc2ccccc2)CC1 ZINC000498276142 1001749990 /nfs/dbraw/zinc/74/99/90/1001749990.db2.gz NAPKLCJORBQCAU-DHIUTWEWSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)cc2)C1 ZINC000507367629 1002027492 /nfs/dbraw/zinc/02/74/92/1002027492.db2.gz LUQLKOYGPDRKEI-NRFANRHFSA-N 2 1 420.601 3.918 20 0 HHADMP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(C[NH+]4CCN(C)CC4)cc3)cc2)C1 ZINC000507367629 1002027523 /nfs/dbraw/zinc/02/75/23/1002027523.db2.gz LUQLKOYGPDRKEI-NRFANRHFSA-N 2 1 420.601 3.918 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(C[NH+]4CCN(C)CC4)cc3)cc2)C1 ZINC000507367629 1002027532 /nfs/dbraw/zinc/02/75/32/1002027532.db2.gz LUQLKOYGPDRKEI-NRFANRHFSA-N 2 1 420.601 3.918 20 0 HHADMP CC[N@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000507379040 1002035512 /nfs/dbraw/zinc/03/55/12/1002035512.db2.gz LOHPFMRYUFDJPX-PCCBWWKXSA-N 2 1 400.611 3.696 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N2CCCC23CC[NH+](C)CC3)[C@H]1c1ccc(F)c(F)c1 ZINC000498663929 1002057399 /nfs/dbraw/zinc/05/73/99/1002057399.db2.gz PUXSCMFTNSNQCE-NHCUHLMSSA-N 2 1 420.548 3.758 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N2CCCC23CC[NH+](C)CC3)[C@H]1c1ccc(F)c(F)c1 ZINC000498663929 1002057410 /nfs/dbraw/zinc/05/74/10/1002057410.db2.gz PUXSCMFTNSNQCE-NHCUHLMSSA-N 2 1 420.548 3.758 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498665526 1002059378 /nfs/dbraw/zinc/05/93/78/1002059378.db2.gz DODCEFACOPZAOB-NYVOZVTQSA-N 2 1 420.548 3.758 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498665526 1002059387 /nfs/dbraw/zinc/05/93/87/1002059387.db2.gz DODCEFACOPZAOB-NYVOZVTQSA-N 2 1 420.548 3.758 20 0 HHADMP CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000498665380 1002059637 /nfs/dbraw/zinc/05/96/37/1002059637.db2.gz YKDNKNOVOYUWFV-SFTDATJTSA-N 2 1 408.537 3.661 20 0 HHADMP CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000498665380 1002059642 /nfs/dbraw/zinc/05/96/42/1002059642.db2.gz YKDNKNOVOYUWFV-SFTDATJTSA-N 2 1 408.537 3.661 20 0 HHADMP C[C@H](NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498706347 1002089907 /nfs/dbraw/zinc/08/99/07/1002089907.db2.gz FYAOSHLRGVIBLD-RBBKRZOGSA-N 2 1 424.589 3.796 20 0 HHADMP C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000498722188 1002104415 /nfs/dbraw/zinc/10/44/15/1002104415.db2.gz NQPQLQOLBABGEH-OYDLWJJNSA-N 2 1 406.574 3.595 20 0 HHADMP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000498722188 1002104419 /nfs/dbraw/zinc/10/44/19/1002104419.db2.gz NQPQLQOLBABGEH-OYDLWJJNSA-N 2 1 406.574 3.595 20 0 HHADMP C[C@H](NC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498722188 1002104430 /nfs/dbraw/zinc/10/44/30/1002104430.db2.gz NQPQLQOLBABGEH-OYDLWJJNSA-N 2 1 406.574 3.595 20 0 HHADMP C[C@H](NC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498722188 1002104437 /nfs/dbraw/zinc/10/44/37/1002104437.db2.gz NQPQLQOLBABGEH-OYDLWJJNSA-N 2 1 406.574 3.595 20 0 HHADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000498893773 1002283456 /nfs/dbraw/zinc/28/34/56/1002283456.db2.gz JYEFFJSOMZDNSU-APTRMMRNSA-N 2 1 424.589 3.650 20 0 HHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C3CCC(C(=O)OC(C)(C)C)CC3)c2)CCO1 ZINC000507941304 1002476001 /nfs/dbraw/zinc/47/60/01/1002476001.db2.gz XRUCWCNABJEJMR-XTWGIRIWSA-N 2 1 402.579 3.897 20 0 HHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CCC(C(=O)OC(C)(C)C)CC3)c2)CCO1 ZINC000507941304 1002476011 /nfs/dbraw/zinc/47/60/11/1002476011.db2.gz XRUCWCNABJEJMR-XTWGIRIWSA-N 2 1 402.579 3.897 20 0 HHADMP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000499110636 1002500781 /nfs/dbraw/zinc/50/07/81/1002500781.db2.gz KYKGULWNXYFIJK-FYYLOGMGSA-N 2 1 400.611 3.805 20 0 HHADMP c1csc([C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)N2CCOCC2)c1 ZINC000499141851 1002526704 /nfs/dbraw/zinc/52/67/04/1002526704.db2.gz NLWZFCUGVHOHCD-KAOXLYBCSA-N 2 1 411.615 3.907 20 0 HHADMP c1ccc(CN2CCO[C@@H](C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)cc1 ZINC000499155018 1002539126 /nfs/dbraw/zinc/53/91/26/1002539126.db2.gz GGXINKXOSITPMG-SSUZURRFSA-N 2 1 405.586 3.673 20 0 HHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccccc2CN2CCOCC2)C3)cc1 ZINC000499156163 1002539807 /nfs/dbraw/zinc/53/98/07/1002539807.db2.gz LANHFIQYHCPVRN-PBROBROCSA-N 2 1 405.586 3.804 20 0 HHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccccc2CN2CCOCC2)C3)cc1 ZINC000499156162 1002540333 /nfs/dbraw/zinc/54/03/33/1002540333.db2.gz LANHFIQYHCPVRN-OOSCYNTBSA-N 2 1 405.586 3.804 20 0 HHADMP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cn2)CCO1 ZINC000499164058 1002550590 /nfs/dbraw/zinc/55/05/90/1002550590.db2.gz YXYQLPRCDOGRNK-CDIGIKMISA-N 2 1 406.574 3.592 20 0 HHADMP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cn2)CCO1 ZINC000499164058 1002550601 /nfs/dbraw/zinc/55/06/01/1002550601.db2.gz YXYQLPRCDOGRNK-CDIGIKMISA-N 2 1 406.574 3.592 20 0 HHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000499236399 1002626872 /nfs/dbraw/zinc/62/68/72/1002626872.db2.gz XRDAJOYBKRMABH-AFTJIJFZSA-N 2 1 419.613 3.655 20 0 HHADMP OC[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499236399 1002626878 /nfs/dbraw/zinc/62/68/78/1002626878.db2.gz XRDAJOYBKRMABH-AFTJIJFZSA-N 2 1 419.613 3.655 20 0 HHADMP OC[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499236399 1002626881 /nfs/dbraw/zinc/62/68/81/1002626881.db2.gz XRDAJOYBKRMABH-AFTJIJFZSA-N 2 1 419.613 3.655 20 0 HHADMP OC[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499236399 1002626887 /nfs/dbraw/zinc/62/68/87/1002626887.db2.gz XRDAJOYBKRMABH-AFTJIJFZSA-N 2 1 419.613 3.655 20 0 HHADMP OC[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499236399 1002626897 /nfs/dbraw/zinc/62/68/97/1002626897.db2.gz XRDAJOYBKRMABH-AFTJIJFZSA-N 2 1 419.613 3.655 20 0 HHADMP C[NH+](C)Cc1cnc(CNc2[nH+]ccn2Cc2ccc(Br)cc2)s1 ZINC000508507056 1002988773 /nfs/dbraw/zinc/98/87/73/1002988773.db2.gz SYXYEISNZRIBOW-UHFFFAOYSA-N 2 1 406.353 3.824 20 0 HHADMP Cc1cccc([C@H](C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)N2CCOCC2)c1 ZINC000508719499 1003160122 /nfs/dbraw/zinc/16/01/22/1003160122.db2.gz KWJUHZZNYZHZTO-RCXJIHSJSA-N 2 1 407.602 3.869 20 0 HHADMP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000508721439 1003161753 /nfs/dbraw/zinc/16/17/53/1003161753.db2.gz URHFTYZCBNTAAS-HJNYFJLDSA-N 2 1 409.574 3.783 20 0 HHADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000499918021 1003244794 /nfs/dbraw/zinc/24/47/94/1003244794.db2.gz GYURHQRVTFAURY-DEOSSOPVSA-N 2 1 409.574 3.501 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000508899235 1003332878 /nfs/dbraw/zinc/33/28/78/1003332878.db2.gz SZNXJERRRNROKK-IRLDBZIGSA-N 2 1 419.491 3.860 20 0 HHADMP C[C@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000508941896 1003393690 /nfs/dbraw/zinc/39/36/90/1003393690.db2.gz MRMXCLTWGKVCQD-OPYAIIAOSA-N 2 1 411.512 3.820 20 0 HHADMP C[C@H](CNC(=O)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000508941896 1003393710 /nfs/dbraw/zinc/39/37/10/1003393710.db2.gz MRMXCLTWGKVCQD-OPYAIIAOSA-N 2 1 411.512 3.820 20 0 HHADMP C[C@H](CNC(=O)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000508941896 1003393745 /nfs/dbraw/zinc/39/37/45/1003393745.db2.gz MRMXCLTWGKVCQD-OPYAIIAOSA-N 2 1 411.512 3.820 20 0 HHADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1NC(=O)C[NH+]1CCCCC1 ZINC000511943795 1003911714 /nfs/dbraw/zinc/91/17/14/1003911714.db2.gz OLZXLJJEKMIADV-OTWHNJEPSA-N 2 1 400.567 3.619 20 0 HHADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cc1NC(=O)C[NH+]1CCCCC1 ZINC000511943795 1003911719 /nfs/dbraw/zinc/91/17/19/1003911719.db2.gz OLZXLJJEKMIADV-OTWHNJEPSA-N 2 1 400.567 3.619 20 0 HHADMP C[NH+](C)CCCC1CCN(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000500764983 1003944775 /nfs/dbraw/zinc/94/47/75/1003944775.db2.gz DFYHXRKCGMGIMB-UHFFFAOYSA-N 2 1 400.611 3.587 20 0 HHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)c1ccco1 ZINC000509566204 1003948225 /nfs/dbraw/zinc/94/82/25/1003948225.db2.gz DGTPBYFHGSDPLV-RXVVDRJESA-N 2 1 416.541 3.765 20 0 HHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)c1ccco1 ZINC000509566204 1003948230 /nfs/dbraw/zinc/94/82/30/1003948230.db2.gz DGTPBYFHGSDPLV-RXVVDRJESA-N 2 1 416.541 3.765 20 0 HHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000500780861 1003952079 /nfs/dbraw/zinc/95/20/79/1003952079.db2.gz SGUFQMCOOGBGDE-FQEVSTJZSA-N 2 1 415.626 3.840 20 0 HHADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000500829298 1003987412 /nfs/dbraw/zinc/98/74/12/1003987412.db2.gz BYWYDKSLVHVKER-UHFFFAOYSA-N 2 1 401.599 3.594 20 0 HHADMP C[NH+](C)C1(C[NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)CCCC1 ZINC000509683805 1004027344 /nfs/dbraw/zinc/02/73/44/1004027344.db2.gz RMQKQQRPQOAKMY-UHFFFAOYSA-N 2 1 407.986 3.610 20 0 HHADMP C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000500898076 1004036610 /nfs/dbraw/zinc/03/66/10/1004036610.db2.gz DHSFZNKPVCIIDC-RTWAWAEBSA-N 2 1 407.002 3.849 20 0 HHADMP C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000500898076 1004036623 /nfs/dbraw/zinc/03/66/23/1004036623.db2.gz DHSFZNKPVCIIDC-RTWAWAEBSA-N 2 1 407.002 3.849 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)cc1 ZINC000512121375 1004037793 /nfs/dbraw/zinc/03/77/93/1004037793.db2.gz IQYTWYCUGPAYLX-UHFFFAOYSA-N 2 1 408.590 3.918 20 0 HHADMP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000512132449 1004045919 /nfs/dbraw/zinc/04/59/19/1004045919.db2.gz SBTCJDPZCNGICA-ZRCGQRJVSA-N 2 1 401.595 3.632 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000512132449 1004045930 /nfs/dbraw/zinc/04/59/30/1004045930.db2.gz SBTCJDPZCNGICA-ZRCGQRJVSA-N 2 1 401.595 3.632 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000512132449 1004045940 /nfs/dbraw/zinc/04/59/40/1004045940.db2.gz SBTCJDPZCNGICA-ZRCGQRJVSA-N 2 1 401.595 3.632 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000512132449 1004045949 /nfs/dbraw/zinc/04/59/49/1004045949.db2.gz SBTCJDPZCNGICA-ZRCGQRJVSA-N 2 1 401.595 3.632 20 0 HHADMP C[C@H]1C[C@H](CCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000509778330 1004089232 /nfs/dbraw/zinc/08/92/32/1004089232.db2.gz QNCSEFUAKOMLME-ICSRJNTNSA-N 2 1 400.611 3.896 20 0 HHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000512234024 1004133493 /nfs/dbraw/zinc/13/34/93/1004133493.db2.gz JRXFLOPNGRQIHY-UHFFFAOYSA-N 2 1 421.585 3.503 20 0 HHADMP C[N@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501031987 1004135932 /nfs/dbraw/zinc/13/59/32/1004135932.db2.gz OACSATDSLIPYKX-UHFFFAOYSA-N 2 1 403.486 3.825 20 0 HHADMP Cc1cc(C(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c(C)n1-c1nccs1 ZINC000501047338 1004148474 /nfs/dbraw/zinc/14/84/74/1004148474.db2.gz CKDQHNBTHHRBSM-UHFFFAOYSA-N 2 1 423.586 3.977 20 0 HHADMP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501048912 1004150583 /nfs/dbraw/zinc/15/05/83/1004150583.db2.gz IKLBDEHYYGDUML-KRWDZBQOSA-N 2 1 416.516 3.728 20 0 HHADMP CCC[N@H+](CC(=O)N1CCCC[C@H]1CC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512276028 1004177186 /nfs/dbraw/zinc/17/71/86/1004177186.db2.gz BTZAYAWAJTZNER-HXUWFJFHSA-N 2 1 401.599 3.565 20 0 HHADMP CCC[N@@H+](CC(=O)N1CCCC[C@H]1CC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512276028 1004177193 /nfs/dbraw/zinc/17/71/93/1004177193.db2.gz BTZAYAWAJTZNER-HXUWFJFHSA-N 2 1 401.599 3.565 20 0 HHADMP CCC[N@H+](CC(=O)N1c2ccccc2C[C@H]1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512282934 1004185176 /nfs/dbraw/zinc/18/51/76/1004185176.db2.gz NYADNOLGEBRFLV-LJQANCHMSA-N 2 1 421.589 3.752 20 0 HHADMP CCC[N@@H+](CC(=O)N1c2ccccc2C[C@H]1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512282934 1004185185 /nfs/dbraw/zinc/18/51/85/1004185185.db2.gz NYADNOLGEBRFLV-LJQANCHMSA-N 2 1 421.589 3.752 20 0 HHADMP CCC[N@H+](CC(=O)N(C)[C@H]1CCCC[C@@H]1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512283438 1004185292 /nfs/dbraw/zinc/18/52/92/1004185292.db2.gz PQWATNJEQAJDMX-AVRDEDQJSA-N 2 1 415.626 3.811 20 0 HHADMP CCC[N@@H+](CC(=O)N(C)[C@H]1CCCC[C@@H]1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512283438 1004185298 /nfs/dbraw/zinc/18/52/98/1004185298.db2.gz PQWATNJEQAJDMX-AVRDEDQJSA-N 2 1 415.626 3.811 20 0 HHADMP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000501082718 1004187773 /nfs/dbraw/zinc/18/77/73/1004187773.db2.gz AKZOTTLNEMPTHZ-RXVVDRJESA-N 2 1 424.992 3.989 20 0 HHADMP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(OC)c1 ZINC000512324794 1004217965 /nfs/dbraw/zinc/21/79/65/1004217965.db2.gz SKTQBFKOHQWZHH-OKZBNKHCSA-N 2 1 403.567 3.664 20 0 HHADMP COc1ccc2c(c1OC)CC[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C2 ZINC000501122899 1004219403 /nfs/dbraw/zinc/21/94/03/1004219403.db2.gz TZIMCSPEIHMNDD-UHFFFAOYSA-N 2 1 409.574 3.793 20 0 HHADMP C[C@H]1C[C@@H](CCNC(=O)N2CCC([NH+]3CCCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000512407532 1004276206 /nfs/dbraw/zinc/27/62/06/1004276206.db2.gz WGHXOGZWYFMWON-JTHBVZDNSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@H](CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)OCc1ccccc1 ZINC000512410375 1004278522 /nfs/dbraw/zinc/27/85/22/1004278522.db2.gz RPOZTMSMFQARDW-ZEQKJWHPSA-N 2 1 407.602 3.874 20 0 HHADMP C[C@H](CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)OCc1ccccc1 ZINC000512410372 1004278586 /nfs/dbraw/zinc/27/85/86/1004278586.db2.gz RPOZTMSMFQARDW-BVAGGSTKSA-N 2 1 407.602 3.874 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CCC(Cc3nccn3C)CC2)C[N@H+]1Cc1ccccc1 ZINC000512418554 1004284214 /nfs/dbraw/zinc/28/42/14/1004284214.db2.gz PJAHEMMBXYQHRV-OFNKIYASSA-N 2 1 423.605 3.685 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512418554 1004284226 /nfs/dbraw/zinc/28/42/26/1004284226.db2.gz PJAHEMMBXYQHRV-OFNKIYASSA-N 2 1 423.605 3.685 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)C[N@H+]1Cc1ccccc1 ZINC000512418554 1004284234 /nfs/dbraw/zinc/28/42/34/1004284234.db2.gz PJAHEMMBXYQHRV-OFNKIYASSA-N 2 1 423.605 3.685 20 0 HHADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[C@@H]1C[C@H](C)[NH+](Cc3ccccc3)C1)CC2 ZINC000512429792 1004296931 /nfs/dbraw/zinc/29/69/31/1004296931.db2.gz JOIGMKMJWSZDFT-RBVMOCNTSA-N 2 1 412.622 3.944 20 0 HHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc3ccccc3)C1)CC2 ZINC000512429792 1004296938 /nfs/dbraw/zinc/29/69/38/1004296938.db2.gz JOIGMKMJWSZDFT-RBVMOCNTSA-N 2 1 412.622 3.944 20 0 HHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc3ccccc3)C1)CC2 ZINC000512429792 1004296955 /nfs/dbraw/zinc/29/69/55/1004296955.db2.gz JOIGMKMJWSZDFT-RBVMOCNTSA-N 2 1 412.622 3.944 20 0 HHADMP C[C@H](c1ccc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1)[NH+]1CCOCC1 ZINC000501231506 1004299875 /nfs/dbraw/zinc/29/98/75/1004299875.db2.gz HZRPKFPSPMQEEQ-LJQANCHMSA-N 2 1 414.594 3.856 20 0 HHADMP C[C@H](CNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)[NH+]1CCCC[C@H]1C ZINC000510144542 1004354520 /nfs/dbraw/zinc/35/45/20/1004354520.db2.gz LMPFMFQSFIVTFH-FGZHOGPDSA-N 2 1 400.611 3.599 20 0 HHADMP C[C@H](CNC(=O)N1CCC[NH+](CCCc2ccccc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000510144542 1004354528 /nfs/dbraw/zinc/35/45/28/1004354528.db2.gz LMPFMFQSFIVTFH-FGZHOGPDSA-N 2 1 400.611 3.599 20 0 HHADMP C[C@H](CNC(=O)N1CCC[NH+](CCCc2ccccc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000510144542 1004354533 /nfs/dbraw/zinc/35/45/33/1004354533.db2.gz LMPFMFQSFIVTFH-FGZHOGPDSA-N 2 1 400.611 3.599 20 0 HHADMP CC(C)[NH+](CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(C)C ZINC000512523202 1004359708 /nfs/dbraw/zinc/35/97/08/1004359708.db2.gz FJCMUWQFHZQFRW-LJQANCHMSA-N 2 1 414.516 3.698 20 0 HHADMP O=C([C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000510244549 1004421115 /nfs/dbraw/zinc/42/11/15/1004421115.db2.gz UDCNKIMQBJMFCD-NHCUHLMSSA-N 2 1 405.533 3.621 20 0 HHADMP CCC[N@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510247737 1004423228 /nfs/dbraw/zinc/42/32/28/1004423228.db2.gz ZUHMBJKUBKHXAR-ZWCUEREDSA-N 2 1 415.626 3.715 20 0 HHADMP CCC[N@@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510247737 1004423233 /nfs/dbraw/zinc/42/32/33/1004423233.db2.gz ZUHMBJKUBKHXAR-ZWCUEREDSA-N 2 1 415.626 3.715 20 0 HHADMP O=S(=O)(CCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000512625960 1004438543 /nfs/dbraw/zinc/43/85/43/1004438543.db2.gz RAOBPOCFZJNXGM-OEMFJLHTSA-N 2 1 412.599 3.741 20 0 HHADMP O=S(=O)(CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000512625960 1004438550 /nfs/dbraw/zinc/43/85/50/1004438550.db2.gz RAOBPOCFZJNXGM-OEMFJLHTSA-N 2 1 412.599 3.741 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCC[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000510270834 1004439541 /nfs/dbraw/zinc/43/95/41/1004439541.db2.gz HGYNIQGZVIAQTR-MDNUFGMLSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000510270834 1004439546 /nfs/dbraw/zinc/43/95/46/1004439546.db2.gz HGYNIQGZVIAQTR-MDNUFGMLSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000510270834 1004439548 /nfs/dbraw/zinc/43/95/48/1004439548.db2.gz HGYNIQGZVIAQTR-MDNUFGMLSA-N 2 1 400.611 3.564 20 0 HHADMP CCNC(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512632350 1004444640 /nfs/dbraw/zinc/44/46/40/1004444640.db2.gz ZKYVQZCEJDHNRV-QLBJFCOMSA-N 2 1 421.585 3.592 20 0 HHADMP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)cn2)CCO1 ZINC000512646644 1004458160 /nfs/dbraw/zinc/45/81/60/1004458160.db2.gz BWEOXQFKYCMBKE-HKTJVKLFSA-N 2 1 420.601 3.697 20 0 HHADMP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)N2CCOCC2)o1 ZINC000512652614 1004464997 /nfs/dbraw/zinc/46/49/97/1004464997.db2.gz ATABLSJOIVZPSZ-RCTAOEEJSA-N 2 1 423.601 3.852 20 0 HHADMP C[C@@H]1CN(Cc2ccccc2NC(=O)NC[C@H](c2ccsc2)N(C)C)C[C@@H](C)O1 ZINC000501506003 1004475009 /nfs/dbraw/zinc/47/50/09/1004475009.db2.gz UPNBDBJBPNSPRT-CBGDNZLLSA-N 2 1 416.591 3.782 20 0 HHADMP CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000512667239 1004477130 /nfs/dbraw/zinc/47/71/30/1004477130.db2.gz OMXPWYFXHYMMOK-RBZQAINGSA-N 2 1 412.599 3.622 20 0 HHADMP O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000512669876 1004479758 /nfs/dbraw/zinc/47/97/58/1004479758.db2.gz ZVFMTTUFASVAAL-NRFANRHFSA-N 2 1 407.549 3.916 20 0 HHADMP C[C@H](NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512712094 1004511657 /nfs/dbraw/zinc/51/16/57/1004511657.db2.gz NXQGARZTALPCDE-UNMCSNQZSA-N 2 1 412.622 3.945 20 0 HHADMP c1cc(Sc2ccccn2)oc1CNCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000510371305 1004516316 /nfs/dbraw/zinc/51/63/16/1004516316.db2.gz AAVOTEHTIOFETG-UHFFFAOYSA-N 2 1 409.559 3.523 20 0 HHADMP CC[C@@H](CNC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000510455504 1004578529 /nfs/dbraw/zinc/57/85/29/1004578529.db2.gz GPWOAFRWDKRUMM-XZOQPEGZSA-N 2 1 424.589 3.861 20 0 HHADMP Cc1cnn([C@H]2CC[NH+](Cc3ccccc3)C2)c1NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000501667405 1004585859 /nfs/dbraw/zinc/58/58/59/1004585859.db2.gz VNUPIYJFAPEPMX-YADHBBJMSA-N 2 1 409.578 3.842 20 0 HHADMP Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)CC[C@H]1CCCC[NH+]1C ZINC000501667405 1004585867 /nfs/dbraw/zinc/58/58/67/1004585867.db2.gz VNUPIYJFAPEPMX-YADHBBJMSA-N 2 1 409.578 3.842 20 0 HHADMP Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)CC[C@H]1CCCC[NH+]1C ZINC000501667405 1004585875 /nfs/dbraw/zinc/58/58/75/1004585875.db2.gz VNUPIYJFAPEPMX-YADHBBJMSA-N 2 1 409.578 3.842 20 0 HHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510484733 1004601513 /nfs/dbraw/zinc/60/15/13/1004601513.db2.gz YMCYYQVJWFWGCD-FPOVZHCZSA-N 2 1 400.611 3.981 20 0 HHADMP C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510544865 1004677524 /nfs/dbraw/zinc/67/75/24/1004677524.db2.gz JQMLJTVCIHLSNP-BJLQDIEVSA-N 2 1 404.624 3.837 20 0 HHADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501753791 1004683152 /nfs/dbraw/zinc/68/31/52/1004683152.db2.gz GLTLQKQWWPKNRI-XMMPIXPASA-N 2 1 406.574 3.571 20 0 HHADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000501756941 1004688413 /nfs/dbraw/zinc/68/84/13/1004688413.db2.gz TXAHHGUMEADSED-DEOSSOPVSA-N 2 1 406.574 3.571 20 0 HHADMP CC(C)Oc1ccc([C@@H](CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)[NH+](C)C)cc1 ZINC000512919520 1004691154 /nfs/dbraw/zinc/69/11/54/1004691154.db2.gz ZXISDTNPKOICBA-IFMALSPDSA-N 2 1 404.599 3.592 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501785571 1004727577 /nfs/dbraw/zinc/72/75/77/1004727577.db2.gz MIIBGNONWXGWPR-FQEVSTJZSA-N 2 1 411.594 3.870 20 0 HHADMP C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510580987 1004729044 /nfs/dbraw/zinc/72/90/44/1004729044.db2.gz QSSQQJQOMVEJSF-IRMYBRCSSA-N 2 1 412.622 3.849 20 0 HHADMP C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000510580987 1004729053 /nfs/dbraw/zinc/72/90/53/1004729053.db2.gz QSSQQJQOMVEJSF-IRMYBRCSSA-N 2 1 412.622 3.849 20 0 HHADMP C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000510580987 1004729056 /nfs/dbraw/zinc/72/90/56/1004729056.db2.gz QSSQQJQOMVEJSF-IRMYBRCSSA-N 2 1 412.622 3.849 20 0 HHADMP Cc1[nH+]ccn1CCCNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000510854268 1004893211 /nfs/dbraw/zinc/89/32/11/1004893211.db2.gz OYIDDXBWNOFHCC-UHFFFAOYSA-N 2 1 405.546 3.810 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000513336075 1004917094 /nfs/dbraw/zinc/91/70/94/1004917094.db2.gz NFDUHXHOKWRWEE-CEXWTWQISA-N 2 1 410.562 3.684 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000513336075 1004917099 /nfs/dbraw/zinc/91/70/99/1004917099.db2.gz NFDUHXHOKWRWEE-CEXWTWQISA-N 2 1 410.562 3.684 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000513336078 1004917122 /nfs/dbraw/zinc/91/71/22/1004917122.db2.gz NFDUHXHOKWRWEE-QRVBRYPASA-N 2 1 410.562 3.684 20 0 HHADMP COCc1ccccc1/C=C(/C)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000510951209 1004950286 /nfs/dbraw/zinc/95/02/86/1004950286.db2.gz KVLWBJMYNTXIEH-VGTKIRILSA-N 2 1 421.585 3.723 20 0 HHADMP C[NH+]1CCC2(CCCN2C(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000511017824 1004981642 /nfs/dbraw/zinc/98/16/42/1004981642.db2.gz QZTNICFAAUHCAK-QFIPXVFZSA-N 2 1 412.622 3.729 20 0 HHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(OC)c(OC)cc3-c3ccccc3)C2)CC1 ZINC000513483331 1004985622 /nfs/dbraw/zinc/98/56/22/1004985622.db2.gz CTVIPOHFJIYLFH-QFIPXVFZSA-N 2 1 409.574 3.583 20 0 HHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H](Cc3ccccn3)c3cccnc3)c2)CCO1 ZINC000513539507 1005012605 /nfs/dbraw/zinc/01/26/05/1005012605.db2.gz QQQWYIVUSMPHLH-CJFMBICVSA-N 2 1 402.542 3.771 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H](Cc3ccccn3)c3cccnc3)c2)CCO1 ZINC000513539507 1005012612 /nfs/dbraw/zinc/01/26/12/1005012612.db2.gz QQQWYIVUSMPHLH-CJFMBICVSA-N 2 1 402.542 3.771 20 0 HHADMP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000513587833 1005038016 /nfs/dbraw/zinc/03/80/16/1005038016.db2.gz BKLZKLHTKLBXMI-GBESFXJTSA-N 2 1 413.537 3.942 20 0 HHADMP C[NH+](C)CCc1ccc(CNC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000502419836 1005067860 /nfs/dbraw/zinc/06/78/60/1005067860.db2.gz SRHWOUIFIGIPHF-SANMLTNESA-N 2 1 420.601 3.598 20 0 HHADMP Cc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc(C)c1OCc1ccccn1 ZINC000513679821 1005079253 /nfs/dbraw/zinc/07/92/53/1005079253.db2.gz ZYUASPPQONCPRX-RUZDIDTESA-N 2 1 422.617 3.879 20 0 HHADMP Cc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc(C)c1OCc1ccccn1 ZINC000513679821 1005079258 /nfs/dbraw/zinc/07/92/58/1005079258.db2.gz ZYUASPPQONCPRX-RUZDIDTESA-N 2 1 422.617 3.879 20 0 HHADMP C[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511233260 1005084469 /nfs/dbraw/zinc/08/44/69/1005084469.db2.gz LLPLTGWEMFRZLZ-VQTJNVASSA-N 2 1 422.683 3.690 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3c(Cl)oc4ccccc43)CC2)CC1 ZINC000513707269 1005090494 /nfs/dbraw/zinc/09/04/94/1005090494.db2.gz AZCYYUOGQUOQDU-UHFFFAOYSA-N 2 1 403.954 3.852 20 0 HHADMP COc1ccc([C@H](Cc2ccncc2)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000513755143 1005111134 /nfs/dbraw/zinc/11/11/34/1005111134.db2.gz PWVRLGFOJBZTNM-SANMLTNESA-N 2 1 417.553 3.996 20 0 HHADMP C[C@@H](NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511294747 1005112195 /nfs/dbraw/zinc/11/21/95/1005112195.db2.gz RVOWKWGZVKZBNA-IFMALSPDSA-N 2 1 404.643 3.937 20 0 HHADMP C[C@@H](NC(=O)N1CCC[NH+](CC2CCCCC2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511294747 1005112200 /nfs/dbraw/zinc/11/22/00/1005112200.db2.gz RVOWKWGZVKZBNA-IFMALSPDSA-N 2 1 404.643 3.937 20 0 HHADMP C[C@@H](NC(=O)N1CCC[NH+](CC2CCCCC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511294747 1005112205 /nfs/dbraw/zinc/11/22/05/1005112205.db2.gz RVOWKWGZVKZBNA-IFMALSPDSA-N 2 1 404.643 3.937 20 0 HHADMP C[C@H](NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511294749 1005112213 /nfs/dbraw/zinc/11/22/13/1005112213.db2.gz RVOWKWGZVKZBNA-RBBKRZOGSA-N 2 1 404.643 3.937 20 0 HHADMP C[C@H](NC(=O)N1CCC[NH+](CC2CCCCC2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511294749 1005112217 /nfs/dbraw/zinc/11/22/17/1005112217.db2.gz RVOWKWGZVKZBNA-RBBKRZOGSA-N 2 1 404.643 3.937 20 0 HHADMP C[C@H](NC(=O)N1CCC[NH+](CC2CCCCC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511294749 1005112220 /nfs/dbraw/zinc/11/22/20/1005112220.db2.gz RVOWKWGZVKZBNA-RBBKRZOGSA-N 2 1 404.643 3.937 20 0 HHADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513821446 1005145103 /nfs/dbraw/zinc/14/51/03/1005145103.db2.gz JBRRTVIBMMSZAQ-FQEVSTJZSA-N 2 1 401.595 3.880 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000511428434 1005172617 /nfs/dbraw/zinc/17/26/17/1005172617.db2.gz NSBZUUJWMOGVDT-GIVPXCGWSA-N 2 1 414.619 3.951 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)[NH+]2CCCC2)o1 ZINC000511463874 1005187159 /nfs/dbraw/zinc/18/71/59/1005187159.db2.gz QCHCYVNIUSMMGD-SBHAEUEKSA-N 2 1 402.583 3.677 20 0 HHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000511520558 1005209227 /nfs/dbraw/zinc/20/92/27/1005209227.db2.gz LXULMQOKPBRTCY-HSZRJFAPSA-N 2 1 412.622 3.993 20 0 HHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000514021346 1005231414 /nfs/dbraw/zinc/23/14/14/1005231414.db2.gz YNFHSAUVHKIVIH-OTWHNJEPSA-N 2 1 421.029 3.970 20 0 HHADMP Cc1ccc(-c2nc(C[NH+]3CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC3)co2)cc1 ZINC000511630759 1005252283 /nfs/dbraw/zinc/25/22/83/1005252283.db2.gz TXRGYHHKUSIUFV-UHFFFAOYSA-N 2 1 412.578 3.566 20 0 HHADMP Cc1ccccc1C[NH+]1CCN(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000502875918 1005254272 /nfs/dbraw/zinc/25/42/72/1005254272.db2.gz NVXHXHRVVPBZCU-OYRHEFFESA-N 2 1 400.611 3.580 20 0 HHADMP Cc1ccccc1C[NH+]1CCN(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000502875918 1005254276 /nfs/dbraw/zinc/25/42/76/1005254276.db2.gz NVXHXHRVVPBZCU-OYRHEFFESA-N 2 1 400.611 3.580 20 0 HHADMP COc1cccc([C@H](CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)[NH+]2CCCC2)c1 ZINC000502876863 1005254620 /nfs/dbraw/zinc/25/46/20/1005254620.db2.gz OUXAFMGAYVMMRK-OFNKIYASSA-N 2 1 416.610 3.643 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000502897371 1005264811 /nfs/dbraw/zinc/26/48/11/1005264811.db2.gz ZBBLVNDEQLUOIY-NHCUHLMSSA-N 2 1 418.601 3.801 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000502897371 1005264813 /nfs/dbraw/zinc/26/48/13/1005264813.db2.gz ZBBLVNDEQLUOIY-NHCUHLMSSA-N 2 1 418.601 3.801 20 0 HHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000514105986 1005268079 /nfs/dbraw/zinc/26/80/79/1005268079.db2.gz VGUKOQZJXKABGV-IBGZPJMESA-N 2 1 405.542 3.624 20 0 HHADMP Cc1ccc([C@H](CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000514115270 1005272195 /nfs/dbraw/zinc/27/21/95/1005272195.db2.gz QSNYBZKPCZHROR-GMAHTHKFSA-N 2 1 400.611 3.943 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)cc1 ZINC000514171453 1005297973 /nfs/dbraw/zinc/29/79/73/1005297973.db2.gz BQHKLKAFMBIXBR-RPWUZVMVSA-N 2 1 406.574 3.706 20 0 HHADMP CC(C)(CNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000514171381 1005297984 /nfs/dbraw/zinc/29/79/84/1005297984.db2.gz ATJMCTRKTIDMPG-UHFFFAOYSA-N 2 1 400.611 3.601 20 0 HHADMP CCCN(C(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000514181339 1005300875 /nfs/dbraw/zinc/30/08/75/1005300875.db2.gz BLIHFYUXIDWZHQ-QHCPKHFHSA-N 2 1 400.611 3.945 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC000514201321 1005309821 /nfs/dbraw/zinc/30/98/21/1005309821.db2.gz FBEQFPWVIQXYGB-GGAORHGYSA-N 2 1 424.589 3.652 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[NH+](C)C ZINC000514201321 1005309825 /nfs/dbraw/zinc/30/98/25/1005309825.db2.gz FBEQFPWVIQXYGB-GGAORHGYSA-N 2 1 424.589 3.652 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000514217832 1005318432 /nfs/dbraw/zinc/31/84/32/1005318432.db2.gz FYLCBCWZHFBBAJ-FGCOXFRFSA-N 2 1 406.574 3.958 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCC[NH+](C)C1CCCCC1 ZINC000514227272 1005322027 /nfs/dbraw/zinc/32/20/27/1005322027.db2.gz YRVZXENJCCEJKJ-HSZRJFAPSA-N 2 1 415.626 3.732 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000514227272 1005322033 /nfs/dbraw/zinc/32/20/33/1005322033.db2.gz YRVZXENJCCEJKJ-HSZRJFAPSA-N 2 1 415.626 3.732 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000514227272 1005322036 /nfs/dbraw/zinc/32/20/36/1005322036.db2.gz YRVZXENJCCEJKJ-HSZRJFAPSA-N 2 1 415.626 3.732 20 0 HHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000503065621 1005335086 /nfs/dbraw/zinc/33/50/86/1005335086.db2.gz XBBWJNKTNLWMTD-UHFFFAOYSA-N 2 1 400.324 3.933 20 0 HHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000503065621 1005335090 /nfs/dbraw/zinc/33/50/90/1005335090.db2.gz XBBWJNKTNLWMTD-UHFFFAOYSA-N 2 1 400.324 3.933 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000503083625 1005343171 /nfs/dbraw/zinc/34/31/71/1005343171.db2.gz CTTMJVPZRVYRMF-YPAWHYETSA-N 2 1 424.614 3.774 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000503083625 1005343173 /nfs/dbraw/zinc/34/31/73/1005343173.db2.gz CTTMJVPZRVYRMF-YPAWHYETSA-N 2 1 424.614 3.774 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000503083625 1005343176 /nfs/dbraw/zinc/34/31/76/1005343176.db2.gz CTTMJVPZRVYRMF-YPAWHYETSA-N 2 1 424.614 3.774 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000503083625 1005343179 /nfs/dbraw/zinc/34/31/79/1005343179.db2.gz CTTMJVPZRVYRMF-YPAWHYETSA-N 2 1 424.614 3.774 20 0 HHADMP Cc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000503209935 1005369246 /nfs/dbraw/zinc/36/92/46/1005369246.db2.gz WELUKKJXBLCMBM-GOTSBHOMSA-N 2 1 424.589 3.589 20 0 HHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000503356761 1005397118 /nfs/dbraw/zinc/39/71/18/1005397118.db2.gz OHVRRGBQEMWANZ-FJIJXJHWSA-N 2 1 408.590 3.808 20 0 HHADMP C[N@@H+](CCCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)Cc1ccccc1 ZINC000503448175 1005423395 /nfs/dbraw/zinc/42/33/95/1005423395.db2.gz VIIJOTUHHGPJCU-QHCPKHFHSA-N 2 1 400.611 3.806 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC000503589851 1005460140 /nfs/dbraw/zinc/46/01/40/1005460140.db2.gz XVLRCRKWSTXSAS-OAQYLSRUSA-N 2 1 409.549 3.704 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC000503589851 1005460142 /nfs/dbraw/zinc/46/01/42/1005460142.db2.gz XVLRCRKWSTXSAS-OAQYLSRUSA-N 2 1 409.549 3.704 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)CC1 ZINC000503765307 1005490690 /nfs/dbraw/zinc/49/06/90/1005490690.db2.gz OEQZNNQBNQTKHY-DEOSSOPVSA-N 2 1 414.638 3.705 20 0 HHADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000503765307 1005490692 /nfs/dbraw/zinc/49/06/92/1005490692.db2.gz OEQZNNQBNQTKHY-DEOSSOPVSA-N 2 1 414.638 3.705 20 0 HHADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000503765307 1005490694 /nfs/dbraw/zinc/49/06/94/1005490694.db2.gz OEQZNNQBNQTKHY-DEOSSOPVSA-N 2 1 414.638 3.705 20 0 HHADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000531143460 1006016773 /nfs/dbraw/zinc/01/67/73/1006016773.db2.gz DJIIEEXPFNEQAO-HSZRJFAPSA-N 2 1 418.528 3.848 20 0 HHADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000531143460 1006016782 /nfs/dbraw/zinc/01/67/82/1006016782.db2.gz DJIIEEXPFNEQAO-HSZRJFAPSA-N 2 1 418.528 3.848 20 0 HHADMP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000534054501 1006024076 /nfs/dbraw/zinc/02/40/76/1006024076.db2.gz CXDXIGZVKVTVMI-FSSWDIPSSA-N 2 1 412.965 3.659 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000534054501 1006024088 /nfs/dbraw/zinc/02/40/88/1006024088.db2.gz CXDXIGZVKVTVMI-FSSWDIPSSA-N 2 1 412.965 3.659 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000534054501 1006024100 /nfs/dbraw/zinc/02/41/00/1006024100.db2.gz CXDXIGZVKVTVMI-FSSWDIPSSA-N 2 1 412.965 3.659 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000534054501 1006024109 /nfs/dbraw/zinc/02/41/09/1006024109.db2.gz CXDXIGZVKVTVMI-FSSWDIPSSA-N 2 1 412.965 3.659 20 0 HHADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3csc(-c4ccccn4)n3)CC2)C[C@@H](C)O1 ZINC000531178296 1006030202 /nfs/dbraw/zinc/03/02/02/1006030202.db2.gz PUMHVSBPXPAPLS-QZTJIDSGSA-N 2 1 400.592 3.916 20 0 HHADMP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000534110255 1006085177 /nfs/dbraw/zinc/08/51/77/1006085177.db2.gz NRDGDUDYNNNFDM-NHCUHLMSSA-N 2 1 407.002 3.847 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000534110255 1006085188 /nfs/dbraw/zinc/08/51/88/1006085188.db2.gz NRDGDUDYNNNFDM-NHCUHLMSSA-N 2 1 407.002 3.847 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000534110255 1006085200 /nfs/dbraw/zinc/08/52/00/1006085200.db2.gz NRDGDUDYNNNFDM-NHCUHLMSSA-N 2 1 407.002 3.847 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000534110255 1006085210 /nfs/dbraw/zinc/08/52/10/1006085210.db2.gz NRDGDUDYNNNFDM-NHCUHLMSSA-N 2 1 407.002 3.847 20 0 HHADMP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531291184 1006097607 /nfs/dbraw/zinc/09/76/07/1006097607.db2.gz YCTSPBUTSZYYKB-RUZDIDTESA-N 2 1 407.558 3.638 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000531395446 1006171140 /nfs/dbraw/zinc/17/11/40/1006171140.db2.gz KVXKYYIATSRBLA-NZQKXSOJSA-N 2 1 400.611 3.659 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000531395446 1006171145 /nfs/dbraw/zinc/17/11/45/1006171145.db2.gz KVXKYYIATSRBLA-NZQKXSOJSA-N 2 1 400.611 3.659 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000531395446 1006171154 /nfs/dbraw/zinc/17/11/54/1006171154.db2.gz KVXKYYIATSRBLA-NZQKXSOJSA-N 2 1 400.611 3.659 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000531455229 1006208052 /nfs/dbraw/zinc/20/80/52/1006208052.db2.gz RFKJEFJPNWWCPM-OFNKIYASSA-N 2 1 406.574 3.633 20 0 HHADMP O=C1[C@H]([NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CCCN1CC(F)(F)F ZINC000534232364 1006233271 /nfs/dbraw/zinc/23/32/71/1006233271.db2.gz GPWLMVLTHICWFS-LJQANCHMSA-N 2 1 409.496 3.528 20 0 HHADMP O=C1[C@H]([NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCCN1CC(F)(F)F ZINC000534232364 1006233280 /nfs/dbraw/zinc/23/32/80/1006233280.db2.gz GPWLMVLTHICWFS-LJQANCHMSA-N 2 1 409.496 3.528 20 0 HHADMP C[NH+](C)CCN(C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000534250800 1006258425 /nfs/dbraw/zinc/25/84/25/1006258425.db2.gz MTESSPSJGSNAII-LAUBAEHRSA-N 2 1 424.992 3.988 20 0 HHADMP CC[C@@H](C)n1ncc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)c1C1CC1 ZINC000534252040 1006260442 /nfs/dbraw/zinc/26/04/42/1006260442.db2.gz SBPNFMRMCNBBDN-IEBWSBKVSA-N 2 1 404.603 3.611 20 0 HHADMP CC[C@H](C)n1ncc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)c1C1CC1 ZINC000534252042 1006260665 /nfs/dbraw/zinc/26/06/65/1006260665.db2.gz SBPNFMRMCNBBDN-PKOBYXMFSA-N 2 1 404.603 3.611 20 0 HHADMP Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)n1 ZINC000531733541 1006387646 /nfs/dbraw/zinc/38/76/46/1006387646.db2.gz HUSIMHWAHCBQBO-XMMPIXPASA-N 2 1 406.574 3.570 20 0 HHADMP Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)n1 ZINC000531733541 1006387654 /nfs/dbraw/zinc/38/76/54/1006387654.db2.gz HUSIMHWAHCBQBO-XMMPIXPASA-N 2 1 406.574 3.570 20 0 HHADMP Cc1cccc([C@H]2CCC[NH+]2CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)n1 ZINC000531733541 1006387665 /nfs/dbraw/zinc/38/76/65/1006387665.db2.gz HUSIMHWAHCBQBO-XMMPIXPASA-N 2 1 406.574 3.570 20 0 HHADMP Cc1cccc([C@H]2CCC[NH+]2CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)n1 ZINC000531733541 1006387674 /nfs/dbraw/zinc/38/76/74/1006387674.db2.gz HUSIMHWAHCBQBO-XMMPIXPASA-N 2 1 406.574 3.570 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000531959813 1006547262 /nfs/dbraw/zinc/54/72/62/1006547262.db2.gz WISFBDATHOPUSJ-LJQANCHMSA-N 3 1 404.558 3.988 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](Cc2ccccc2)CN2CCOCC2)cc1 ZINC000531970483 1006552763 /nfs/dbraw/zinc/55/27/63/1006552763.db2.gz WFNOIIJZALVJNJ-GBXCKJPGSA-N 2 1 404.558 3.775 20 0 HHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000531970817 1006553098 /nfs/dbraw/zinc/55/30/98/1006553098.db2.gz OOTXJXMXAXNXHI-RTBURBONSA-N 2 1 407.624 3.680 20 0 HHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000531970817 1006553113 /nfs/dbraw/zinc/55/31/13/1006553113.db2.gz OOTXJXMXAXNXHI-RTBURBONSA-N 2 1 407.624 3.680 20 0 HHADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531976242 1006556229 /nfs/dbraw/zinc/55/62/29/1006556229.db2.gz AJXJSYFRDZFGSC-NLFFAJNJSA-N 2 1 409.574 3.754 20 0 HHADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531976242 1006556240 /nfs/dbraw/zinc/55/62/40/1006556240.db2.gz AJXJSYFRDZFGSC-NLFFAJNJSA-N 2 1 409.574 3.754 20 0 HHADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531979333 1006557364 /nfs/dbraw/zinc/55/73/64/1006557364.db2.gz AXPIHQMMIVMWKS-MBSDFSHPSA-N 2 1 415.965 3.592 20 0 HHADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531979333 1006557375 /nfs/dbraw/zinc/55/73/75/1006557375.db2.gz AXPIHQMMIVMWKS-MBSDFSHPSA-N 2 1 415.965 3.592 20 0 HHADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531979331 1006557801 /nfs/dbraw/zinc/55/78/01/1006557801.db2.gz AXPIHQMMIVMWKS-FDDCHVKYSA-N 2 1 415.965 3.592 20 0 HHADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531979331 1006557811 /nfs/dbraw/zinc/55/78/11/1006557811.db2.gz AXPIHQMMIVMWKS-FDDCHVKYSA-N 2 1 415.965 3.592 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)NCC1=CC[N@@H+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000538383165 1006652645 /nfs/dbraw/zinc/65/26/45/1006652645.db2.gz JAPJYNNHZXEVKT-IBGZPJMESA-N 2 1 412.500 3.649 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)CC1 ZINC000532183870 1006703077 /nfs/dbraw/zinc/70/30/77/1006703077.db2.gz UGBFYTOOXIBSIW-ZJSXRUAMSA-N 2 1 412.622 3.797 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000532183870 1006703090 /nfs/dbraw/zinc/70/30/90/1006703090.db2.gz UGBFYTOOXIBSIW-ZJSXRUAMSA-N 2 1 412.622 3.797 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000532183870 1006703104 /nfs/dbraw/zinc/70/31/04/1006703104.db2.gz UGBFYTOOXIBSIW-ZJSXRUAMSA-N 2 1 412.622 3.797 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)[C@@H](C)C1 ZINC000532223653 1006732165 /nfs/dbraw/zinc/73/21/65/1006732165.db2.gz RPWBRLRIIPEVMS-AVRDEDQJSA-N 2 1 422.013 3.671 20 0 HHADMP C[NH+](C)CCN(Cc1ccccc1F)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000515922841 1006765986 /nfs/dbraw/zinc/76/59/86/1006765986.db2.gz LRLCVUNQGGKCSB-QFIPXVFZSA-N 2 1 412.553 3.564 20 0 HHADMP CCN1CC[NH+](Cc2ccc(N[C@H](C)c3ccc(OCC[NH+](C)C)cc3)cc2)CC1 ZINC000538538928 1006800258 /nfs/dbraw/zinc/80/02/58/1006800258.db2.gz QAUSZPGSVJLIIV-OAQYLSRUSA-N 2 1 410.606 3.938 20 0 HHADMP CN(c1ccccc1CNC1CC[NH+](Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000532361266 1006818702 /nfs/dbraw/zinc/81/87/02/1006818702.db2.gz ZXLRGDAXBRLISK-UHFFFAOYSA-N 2 1 406.618 3.971 20 0 HHADMP CN(c1ccccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000532361266 1006818713 /nfs/dbraw/zinc/81/87/13/1006818713.db2.gz ZXLRGDAXBRLISK-UHFFFAOYSA-N 3 1 406.618 3.971 20 0 HHADMP C[NH+]1CCN(c2ncc(C[N@H+](Cc3ccccc3)[C@@H]3CC(C)(C)OC3(C)C)cn2)CC1 ZINC000538569945 1006835941 /nfs/dbraw/zinc/83/59/41/1006835941.db2.gz JQOKYSHWWKOYBQ-JOCHJYFZSA-N 2 1 423.605 3.577 20 0 HHADMP C[NH+]1CCN(c2ncc(C[N@@H+](Cc3ccccc3)[C@@H]3CC(C)(C)OC3(C)C)cn2)CC1 ZINC000538569945 1006835948 /nfs/dbraw/zinc/83/59/48/1006835948.db2.gz JQOKYSHWWKOYBQ-JOCHJYFZSA-N 2 1 423.605 3.577 20 0 HHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000532446382 1006888787 /nfs/dbraw/zinc/88/87/87/1006888787.db2.gz RVACZPKDZPOAFP-IBGZPJMESA-N 2 1 406.574 3.560 20 0 HHADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 ZINC000532451614 1006893019 /nfs/dbraw/zinc/89/30/19/1006893019.db2.gz ILOUKTLMSANAHJ-SFHVURJKSA-N 2 1 419.591 3.529 20 0 HHADMP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000532482526 1006921684 /nfs/dbraw/zinc/92/16/84/1006921684.db2.gz JNFRTOQVDOKOIA-CVDCTZTESA-N 2 1 421.651 3.647 20 0 HHADMP CC1(C)C[C@H]([N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)Cc2ccccc2)C(C)(C)O1 ZINC000538663783 1006941736 /nfs/dbraw/zinc/94/17/36/1006941736.db2.gz FIYDGVPKXWMKRT-QFIPXVFZSA-N 2 1 413.606 3.578 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000532521061 1006958844 /nfs/dbraw/zinc/95/88/44/1006958844.db2.gz VKUWUCQOLJOPEH-DLBZAZTESA-N 2 1 412.559 3.843 20 0 HHADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3cccc(NC(=O)c4ccccc4)c3)C2)CC1 ZINC000532552493 1006983838 /nfs/dbraw/zinc/98/38/38/1006983838.db2.gz RHMMJJKKDRCXNG-RDPSFJRHSA-N 2 1 406.574 3.712 20 0 HHADMP C[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000538723157 1006998416 /nfs/dbraw/zinc/99/84/16/1006998416.db2.gz MYMNCWUFCGEWDG-REWPJTCUSA-N 2 1 409.622 3.628 20 0 HHADMP C[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000538723157 1006998426 /nfs/dbraw/zinc/99/84/26/1006998426.db2.gz MYMNCWUFCGEWDG-REWPJTCUSA-N 2 1 409.622 3.628 20 0 HHADMP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000538731950 1007013869 /nfs/dbraw/zinc/01/38/69/1007013869.db2.gz AVBAAZXWRYJVNQ-UHFFFAOYSA-N 2 1 419.516 3.593 20 0 HHADMP COCCn1c(C)cc(C(=O)C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1C ZINC000534964900 1007016526 /nfs/dbraw/zinc/01/65/26/1007016526.db2.gz DXSONXJNWDFBHS-UHFFFAOYSA-N 2 1 423.601 3.922 20 0 HHADMP COCCn1c(C)cc(C(=O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1C ZINC000534964900 1007016538 /nfs/dbraw/zinc/01/65/38/1007016538.db2.gz DXSONXJNWDFBHS-UHFFFAOYSA-N 2 1 423.601 3.922 20 0 HHADMP Cc1cccc(C)c1-n1nnnc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534965509 1007018148 /nfs/dbraw/zinc/01/81/48/1007018148.db2.gz WFLLLMSLBUTRFM-UHFFFAOYSA-N 2 1 416.573 3.767 20 0 HHADMP Cc1cccc(C)c1-n1nnnc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534965509 1007018162 /nfs/dbraw/zinc/01/81/62/1007018162.db2.gz WFLLLMSLBUTRFM-UHFFFAOYSA-N 2 1 416.573 3.767 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1cccc(OC)c1 ZINC000516333299 1007023648 /nfs/dbraw/zinc/02/36/48/1007023648.db2.gz PPNVWFLDAGEPAU-LADGPHEKSA-N 2 1 424.589 3.502 20 0 HHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cc(C(F)(F)F)ccc1Br ZINC000516353509 1007036512 /nfs/dbraw/zinc/03/65/12/1007036512.db2.gz XPSXJVSVTKARNW-OAHLLOKOSA-N 2 1 409.290 3.794 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(Oc4cnccn4)cc3)CC2)C[C@H](C)O1 ZINC000538761870 1007046236 /nfs/dbraw/zinc/04/62/36/1007046236.db2.gz IEHPIEHDVDZIQO-BGYRXZFFSA-N 2 1 410.562 3.980 20 0 HHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc4ccccc4nc3N3CCCCC3)C2)CC1 ZINC000538762960 1007047605 /nfs/dbraw/zinc/04/76/05/1007047605.db2.gz VJPBBIQCQMMOLH-XMMPIXPASA-N 2 1 421.633 3.825 20 0 HHADMP COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1OCc1ccccc1 ZINC000538763009 1007048240 /nfs/dbraw/zinc/04/82/40/1007048240.db2.gz XWAQOWVWCURWHL-XMMPIXPASA-N 2 1 423.601 3.875 20 0 HHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000532628140 1007050214 /nfs/dbraw/zinc/05/02/14/1007050214.db2.gz AWPOPKPRWDLLIF-GOTSBHOMSA-N 2 1 418.532 3.625 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCOc3ccc(F)cc3Cl)CC2)CC1 ZINC000538783674 1007065670 /nfs/dbraw/zinc/06/56/70/1007065670.db2.gz BPHYLCGAFPKECY-UHFFFAOYSA-N 2 1 411.993 3.986 20 0 HHADMP C[N@H+](CCOc1ccc(F)cc1Cl)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000538783674 1007065684 /nfs/dbraw/zinc/06/56/84/1007065684.db2.gz BPHYLCGAFPKECY-UHFFFAOYSA-N 3 1 411.993 3.986 20 0 HHADMP C[N@@H+](CCOc1ccc(F)cc1Cl)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000538783674 1007065699 /nfs/dbraw/zinc/06/56/99/1007065699.db2.gz BPHYLCGAFPKECY-UHFFFAOYSA-N 3 1 411.993 3.986 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000535036038 1007074442 /nfs/dbraw/zinc/07/44/42/1007074442.db2.gz JRRNIIFFYPLTHX-LEWJYISDSA-N 2 1 406.574 3.728 20 0 HHADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000538809599 1007088729 /nfs/dbraw/zinc/08/87/29/1007088729.db2.gz SWQGSHRTFHMSQL-DEOSSOPVSA-N 2 1 407.558 3.555 20 0 HHADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000538809599 1007088744 /nfs/dbraw/zinc/08/87/44/1007088744.db2.gz SWQGSHRTFHMSQL-DEOSSOPVSA-N 2 1 407.558 3.555 20 0 HHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000516664122 1007214664 /nfs/dbraw/zinc/21/46/64/1007214664.db2.gz JNTBFLVZUUDQJH-UHFFFAOYSA-N 2 1 414.619 3.660 20 0 HHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000535181584 1007227265 /nfs/dbraw/zinc/22/72/65/1007227265.db2.gz MLRHASKSTYBFRI-GBXCKJPGSA-N 2 1 412.622 3.934 20 0 HHADMP Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cnn1-c1cccc(Cl)c1 ZINC000539063395 1007356398 /nfs/dbraw/zinc/35/63/98/1007356398.db2.gz CTZFFBGAOVJSNF-RXYZOABWSA-N 2 1 402.970 3.863 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000533010670 1007374597 /nfs/dbraw/zinc/37/45/97/1007374597.db2.gz VTDKNVIMDJJGBF-IOMROCGXSA-N 2 1 404.986 3.601 20 0 HHADMP C[C@@H]1CCC[C@](CNC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)([NH+](C)C)C1 ZINC000517089097 1007401213 /nfs/dbraw/zinc/40/12/13/1007401213.db2.gz FSMTWROGNFCKLG-FDGPYGQJSA-N 2 1 401.595 3.536 20 0 HHADMP C[C@@H]1CCC[C@](CNC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)([NH+](C)C)C1 ZINC000517089097 1007401221 /nfs/dbraw/zinc/40/12/21/1007401221.db2.gz FSMTWROGNFCKLG-FDGPYGQJSA-N 2 1 401.595 3.536 20 0 HHADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(OCc4ccccn4)cc3)CC2)CC1 ZINC000533077849 1007439365 /nfs/dbraw/zinc/43/93/65/1007439365.db2.gz URGCHAXRCOKCJM-UHFFFAOYSA-N 2 1 408.590 3.651 20 0 HHADMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3ccc(Cl)c4cccnc34)CC2)C[C@H](C)O1 ZINC000539147607 1007443389 /nfs/dbraw/zinc/44/33/89/1007443389.db2.gz KJUBIFNNADDWPM-ROUUACIJSA-N 2 1 417.981 3.978 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C[NH+]1Cc1ccccc1 ZINC000533119366 1007465227 /nfs/dbraw/zinc/46/52/27/1007465227.db2.gz PWRNWGNYBBABJK-GZGNHOFSSA-N 2 1 420.601 3.711 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C[N@@H+]1Cc1ccccc1 ZINC000533119366 1007465254 /nfs/dbraw/zinc/46/52/54/1007465254.db2.gz PWRNWGNYBBABJK-GZGNHOFSSA-N 2 1 420.601 3.711 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C[N@H+]1Cc1ccccc1 ZINC000533119366 1007465261 /nfs/dbraw/zinc/46/52/61/1007465261.db2.gz PWRNWGNYBBABJK-GZGNHOFSSA-N 2 1 420.601 3.711 20 0 HHADMP Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(C[NH+](C)C)CC3)[C@@H](c3ccco3)C2)cc1 ZINC000533242403 1007562509 /nfs/dbraw/zinc/56/25/09/1007562509.db2.gz ZSIZPFGLCGFWGX-JOCHJYFZSA-N 2 1 408.546 3.539 20 0 HHADMP COCC[N@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)[C@H](C)c1ccccc1 ZINC000517324993 1007567103 /nfs/dbraw/zinc/56/71/03/1007567103.db2.gz GEPISCAJJCLVFD-HSZRJFAPSA-N 2 1 423.601 3.739 20 0 HHADMP COCC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)[C@H](C)c1ccccc1 ZINC000517324993 1007567112 /nfs/dbraw/zinc/56/71/12/1007567112.db2.gz GEPISCAJJCLVFD-HSZRJFAPSA-N 2 1 423.601 3.739 20 0 HHADMP COCC[NH+](CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)[C@H](C)c1ccccc1 ZINC000517324993 1007567123 /nfs/dbraw/zinc/56/71/23/1007567123.db2.gz GEPISCAJJCLVFD-HSZRJFAPSA-N 2 1 423.601 3.739 20 0 HHADMP COCC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)[C@H](C)c1ccccc1 ZINC000517324993 1007567128 /nfs/dbraw/zinc/56/71/28/1007567128.db2.gz GEPISCAJJCLVFD-HSZRJFAPSA-N 2 1 423.601 3.739 20 0 HHADMP C[N@@H+]1CC[C@H](NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000535560000 1007593783 /nfs/dbraw/zinc/59/37/83/1007593783.db2.gz PUHPZEXQZMZNHG-ACRUOGEOSA-N 2 1 404.986 3.745 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000535560000 1007593802 /nfs/dbraw/zinc/59/38/02/1007593802.db2.gz PUHPZEXQZMZNHG-ACRUOGEOSA-N 2 1 404.986 3.745 20 0 HHADMP CC[C@H](N[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000539315228 1007613833 /nfs/dbraw/zinc/61/38/33/1007613833.db2.gz UFTFQCOOHVBDKL-PERKRYKHSA-N 2 1 401.501 3.785 20 0 HHADMP CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000539315228 1007613844 /nfs/dbraw/zinc/61/38/44/1007613844.db2.gz UFTFQCOOHVBDKL-PERKRYKHSA-N 2 1 401.501 3.785 20 0 HHADMP CC[C@H](N[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000539315226 1007613937 /nfs/dbraw/zinc/61/39/37/1007613937.db2.gz UFTFQCOOHVBDKL-BPXKWBHBSA-N 2 1 401.501 3.785 20 0 HHADMP CC[C@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000539315226 1007613949 /nfs/dbraw/zinc/61/39/49/1007613949.db2.gz UFTFQCOOHVBDKL-BPXKWBHBSA-N 2 1 401.501 3.785 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000517462797 1007687381 /nfs/dbraw/zinc/68/73/81/1007687381.db2.gz RGWYIFWCOJKEGX-VQIMIIECSA-N 2 1 414.516 3.729 20 0 HHADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000539394239 1007699759 /nfs/dbraw/zinc/69/97/59/1007699759.db2.gz CRGRBQFJMYQNSO-JOCHJYFZSA-N 2 1 407.558 3.613 20 0 HHADMP C[C@@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535676321 1007701630 /nfs/dbraw/zinc/70/16/30/1007701630.db2.gz QFXKXPKEEUNBRW-FQEVSTJZSA-N 2 1 409.549 3.819 20 0 HHADMP C[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](C3CCCC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535697543 1007733343 /nfs/dbraw/zinc/73/33/43/1007733343.db2.gz AUTRCQYKCCOTQS-UWJYYQICSA-N 2 1 422.976 3.742 20 0 HHADMP Cc1ccccc1-c1cnc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)o1 ZINC000535718785 1007756172 /nfs/dbraw/zinc/75/61/72/1007756172.db2.gz RMYYUQQMXXVBEJ-UHFFFAOYSA-N 2 1 424.589 3.854 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)C1 ZINC000517912312 1008053055 /nfs/dbraw/zinc/05/30/55/1008053055.db2.gz YTXLTSAKVHLNFI-NZQKXSOJSA-N 2 1 400.611 3.981 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000517912312 1008053060 /nfs/dbraw/zinc/05/30/60/1008053060.db2.gz YTXLTSAKVHLNFI-NZQKXSOJSA-N 2 1 400.611 3.981 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000517912312 1008053068 /nfs/dbraw/zinc/05/30/68/1008053068.db2.gz YTXLTSAKVHLNFI-NZQKXSOJSA-N 2 1 400.611 3.981 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000536017424 1008057271 /nfs/dbraw/zinc/05/72/71/1008057271.db2.gz JOJCRVQVASRRDR-ZODMCCGTSA-N 2 1 422.617 3.854 20 0 HHADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ncc(-c3ccccc3C)o2)CC1 ZINC000536020311 1008057952 /nfs/dbraw/zinc/05/79/52/1008057952.db2.gz ZCDOQDCBUPUKAV-UHFFFAOYSA-N 2 1 412.578 3.710 20 0 HHADMP C[NH+](C)CCOc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000518008969 1008099867 /nfs/dbraw/zinc/09/98/67/1008099867.db2.gz HLXRVODCHUCZBG-OAQYLSRUSA-N 2 1 415.965 3.847 20 0 HHADMP CCOc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1OCC(F)(F)F ZINC000539894245 1008169508 /nfs/dbraw/zinc/16/95/08/1008169508.db2.gz GCVLXIAGVBXJED-ZHALLVOQSA-N 2 1 416.484 3.710 20 0 HHADMP CCOc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1OCC(F)(F)F ZINC000539894245 1008169509 /nfs/dbraw/zinc/16/95/09/1008169509.db2.gz GCVLXIAGVBXJED-ZHALLVOQSA-N 2 1 416.484 3.710 20 0 HHADMP CN(c1ccccc1C[N@H+](C)Cc1cn(C)nc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000539894644 1008169616 /nfs/dbraw/zinc/16/96/16/1008169616.db2.gz COKFFPWBKCWQRQ-UHFFFAOYSA-N 2 1 409.500 3.601 20 0 HHADMP CN(c1ccccc1C[N@@H+](C)Cc1cn(C)nc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000539894644 1008169621 /nfs/dbraw/zinc/16/96/21/1008169621.db2.gz COKFFPWBKCWQRQ-UHFFFAOYSA-N 2 1 409.500 3.601 20 0 HHADMP CC[NH+]1CCN(C(=O)Cc2ccc(N[C@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)cc2)CC1 ZINC000539957344 1008205471 /nfs/dbraw/zinc/20/54/71/1008205471.db2.gz YOJZLUFVSFQZQL-OFVILXPXSA-N 2 1 420.601 3.641 20 0 HHADMP CC[NH+]1CCN(C(=O)Cc2ccc(N[C@H]3CC[N@H+]([C@@H](C)c4ccccc4)C3)cc2)CC1 ZINC000539957344 1008205476 /nfs/dbraw/zinc/20/54/76/1008205476.db2.gz YOJZLUFVSFQZQL-OFVILXPXSA-N 2 1 420.601 3.641 20 0 HHADMP COc1ccc(-c2nc(C[N@H+](C)CCC3CCN(c4cc[nH+]cc4)CC3)no2)cc1 ZINC000540043340 1008252778 /nfs/dbraw/zinc/25/27/78/1008252778.db2.gz YFLIGPBPJSPHRT-UHFFFAOYSA-N 2 1 407.518 3.879 20 0 HHADMP COc1ccc(-c2nc(C[N@@H+](C)CCC3CCN(c4cc[nH+]cc4)CC3)no2)cc1 ZINC000540043340 1008252782 /nfs/dbraw/zinc/25/27/82/1008252782.db2.gz YFLIGPBPJSPHRT-UHFFFAOYSA-N 2 1 407.518 3.879 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1ccnn1C1CCCC1 ZINC000540045086 1008254676 /nfs/dbraw/zinc/25/46/76/1008254676.db2.gz CGOWBITUBJWYIO-UHFFFAOYSA-N 2 1 410.566 3.570 20 0 HHADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)NC(=O)Nc2ccccc2)CC1)CC1CC1 ZINC000540050276 1008259244 /nfs/dbraw/zinc/25/92/44/1008259244.db2.gz ORPGRFMGFFPCQW-GOSISDBHSA-N 2 1 400.567 3.557 20 0 HHADMP C[C@@H](c1ccc(NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000518385341 1008283956 /nfs/dbraw/zinc/28/39/56/1008283956.db2.gz RWROMZKVBBHCHZ-HTAPYJJXSA-N 2 1 414.525 3.643 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000518403049 1008290282 /nfs/dbraw/zinc/29/02/82/1008290282.db2.gz BDSYSGWLMOMMGS-KDURUIRLSA-N 2 1 418.601 3.846 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(Br)c2)[C@@H](C)C1 ZINC000540143461 1008310127 /nfs/dbraw/zinc/31/01/27/1008310127.db2.gz GSQVUAXTQSFCIT-KXBFYZLASA-N 2 1 401.364 3.857 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000540158577 1008315458 /nfs/dbraw/zinc/31/54/58/1008315458.db2.gz ZREGZBBGXIMAKL-AFAVFJNCSA-N 2 1 420.447 3.918 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000540158578 1008315515 /nfs/dbraw/zinc/31/55/15/1008315515.db2.gz ZREGZBBGXIMAKL-JCURWCKSSA-N 2 1 420.447 3.918 20 0 HHADMP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000518466322 1008318853 /nfs/dbraw/zinc/31/88/53/1008318853.db2.gz XBRFSOUJTZNWLK-DEOSSOPVSA-N 2 1 420.601 3.675 20 0 HHADMP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000540171897 1008321754 /nfs/dbraw/zinc/32/17/54/1008321754.db2.gz GLINUQJUWBDNGF-YESZJQIVSA-N 2 1 415.500 3.902 20 0 HHADMP COc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)C2=O)cc1 ZINC000540184989 1008326975 /nfs/dbraw/zinc/32/69/75/1008326975.db2.gz YQWRFQHVOBCSPL-GAJHUEQPSA-N 2 1 404.514 3.641 20 0 HHADMP Cc1cc(N2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c2cc(F)ccc2[nH+]1 ZINC000540206706 1008335498 /nfs/dbraw/zinc/33/54/98/1008335498.db2.gz YFVOZSLGHBDXRA-QZTJIDSGSA-N 2 1 401.526 3.777 20 0 HHADMP CC1CC[NH+]([C@@H](CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c2cccs2)CC1 ZINC000518520021 1008335849 /nfs/dbraw/zinc/33/58/49/1008335849.db2.gz QDBTWKCVMRRFFE-ICSRJNTNSA-N 2 1 404.624 3.837 20 0 HHADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000518713033 1008400454 /nfs/dbraw/zinc/40/04/54/1008400454.db2.gz LSUAASXUXFZBTJ-LJQANCHMSA-N 2 1 401.530 3.774 20 0 HHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000518713033 1008400457 /nfs/dbraw/zinc/40/04/57/1008400457.db2.gz LSUAASXUXFZBTJ-LJQANCHMSA-N 2 1 401.530 3.774 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@H]2CCCc3cc(F)ccc32)c1 ZINC000540406966 1008419509 /nfs/dbraw/zinc/41/95/09/1008419509.db2.gz ZOWVVXPKCYMOFK-QHCPKHFHSA-N 2 1 411.521 3.654 20 0 HHADMP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000518957117 1008486127 /nfs/dbraw/zinc/48/61/27/1008486127.db2.gz ZYCAQTUFGBCDJR-OAQYLSRUSA-N 2 1 409.574 3.754 20 0 HHADMP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000518957117 1008486128 /nfs/dbraw/zinc/48/61/28/1008486128.db2.gz ZYCAQTUFGBCDJR-OAQYLSRUSA-N 2 1 409.574 3.754 20 0 HHADMP CC(=O)c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1 ZINC000548950903 1008536348 /nfs/dbraw/zinc/53/63/48/1008536348.db2.gz ZHFDGAMRJFTOOG-OHUGHZGNSA-N 2 1 424.585 3.897 20 0 HHADMP CC[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000549039903 1008607775 /nfs/dbraw/zinc/60/77/75/1008607775.db2.gz SEESCIXNUQDTDP-DQEYMECFSA-N 2 1 421.585 3.692 20 0 HHADMP CC[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000549039903 1008607789 /nfs/dbraw/zinc/60/77/89/1008607789.db2.gz SEESCIXNUQDTDP-DQEYMECFSA-N 2 1 421.585 3.692 20 0 HHADMP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000543063971 1008641683 /nfs/dbraw/zinc/64/16/83/1008641683.db2.gz TXRDNRMNZIQQNO-DXJOGWAWSA-N 2 1 421.607 3.864 20 0 HHADMP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000543063971 1008641686 /nfs/dbraw/zinc/64/16/86/1008641686.db2.gz TXRDNRMNZIQQNO-DXJOGWAWSA-N 2 1 421.607 3.864 20 0 HHADMP C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000543070469 1008647250 /nfs/dbraw/zinc/64/72/50/1008647250.db2.gz ZUBADFMLOMWANV-YTZAWJCFSA-N 2 1 414.594 3.852 20 0 HHADMP CSc1ccccc1C[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000543081185 1008658062 /nfs/dbraw/zinc/65/80/62/1008658062.db2.gz BTNLSFPTYBJGJH-XMSQKQJNSA-N 2 1 411.615 3.827 20 0 HHADMP CC[N@@H+](Cc1ccc(-c2nc(-c3cc(N4CC[NH+](C)CC4)ccn3)no2)cc1)C(C)C ZINC000545808148 1008896958 /nfs/dbraw/zinc/89/69/58/1008896958.db2.gz ZILQXPXMQXXMQS-UHFFFAOYSA-N 2 1 420.561 3.781 20 0 HHADMP CCC[N@H+](Cc1cc(C(=O)OC)c(CC)o1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000549407558 1008995097 /nfs/dbraw/zinc/99/50/97/1008995097.db2.gz GGMUJXKIKVKDOH-UHFFFAOYSA-N 2 1 414.550 3.916 20 0 HHADMP CCC[N@@H+](Cc1cc(C(=O)OC)c(CC)o1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000549407558 1008995115 /nfs/dbraw/zinc/99/51/15/1008995115.db2.gz GGMUJXKIKVKDOH-UHFFFAOYSA-N 2 1 414.550 3.916 20 0 HHADMP c1ccc(C[N@H+]2CCC[C@@H](Nc3ccc4[nH]c(CCN5CCOCC5)[nH+]c4c3)C2)cc1 ZINC000543415914 1009008861 /nfs/dbraw/zinc/00/88/61/1009008861.db2.gz UFXGPHRVJFIQEG-JOCHJYFZSA-N 2 1 419.573 3.514 20 0 HHADMP c1ccc(C[N@@H+]2CCC[C@@H](Nc3ccc4[nH]c(CCN5CCOCC5)[nH+]c4c3)C2)cc1 ZINC000543415914 1009008873 /nfs/dbraw/zinc/00/88/73/1009008873.db2.gz UFXGPHRVJFIQEG-JOCHJYFZSA-N 2 1 419.573 3.514 20 0 HHADMP Cc1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(Br)c1 ZINC000543458849 1009041268 /nfs/dbraw/zinc/04/12/68/1009041268.db2.gz MPOPVEBMVASBSY-CVEARBPZSA-N 2 1 408.384 3.939 20 0 HHADMP Cc1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(Br)c1 ZINC000543458849 1009041286 /nfs/dbraw/zinc/04/12/86/1009041286.db2.gz MPOPVEBMVASBSY-CVEARBPZSA-N 2 1 408.384 3.939 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)[NH+](C)C ZINC000549451015 1009041584 /nfs/dbraw/zinc/04/15/84/1009041584.db2.gz VPUURYLPFAWIPZ-WOJBJXKFSA-N 2 1 418.969 3.553 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000546009504 1009045357 /nfs/dbraw/zinc/04/53/57/1009045357.db2.gz VNRGZERECAETDG-SFHVURJKSA-N 2 1 414.516 3.824 20 0 HHADMP C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543461831 1009050164 /nfs/dbraw/zinc/05/01/64/1009050164.db2.gz TYQRNOFNMGTFCY-ROUUACIJSA-N 2 1 413.562 3.909 20 0 HHADMP C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543461831 1009050179 /nfs/dbraw/zinc/05/01/79/1009050179.db2.gz TYQRNOFNMGTFCY-ROUUACIJSA-N 2 1 413.562 3.909 20 0 HHADMP C/C=C/c1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(OC)c1 ZINC000543463363 1009051181 /nfs/dbraw/zinc/05/11/81/1009051181.db2.gz KUBWUUJQIOGSQW-ZMMCUDBLSA-N 2 1 402.579 3.711 20 0 HHADMP CC[C@@H]([NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1nc(C)cs1 ZINC000543486043 1009074503 /nfs/dbraw/zinc/07/45/03/1009074503.db2.gz RMIUUDLQVQKOCG-YLJYHZDGSA-N 2 1 400.592 3.662 20 0 HHADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000546163557 1009195479 /nfs/dbraw/zinc/19/54/79/1009195479.db2.gz MNKQLTXPDDUHLV-INIZCTEOSA-N 2 1 410.400 3.682 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCC(C)CC1 ZINC000520071512 1009233462 /nfs/dbraw/zinc/23/34/62/1009233462.db2.gz OBILTZTVVDXROG-IBGZPJMESA-N 2 1 407.002 3.678 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCC(C)CC1 ZINC000520071512 1009233470 /nfs/dbraw/zinc/23/34/70/1009233470.db2.gz OBILTZTVVDXROG-IBGZPJMESA-N 2 1 407.002 3.678 20 0 HHADMP CC(C)(C)OC(=O)C1CCC([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000543764321 1009334717 /nfs/dbraw/zinc/33/47/17/1009334717.db2.gz XAAQUAHTMBRZQC-FQUBMZHMSA-N 2 1 402.579 3.633 20 0 HHADMP C[C@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000520207940 1009342371 /nfs/dbraw/zinc/34/23/71/1009342371.db2.gz HOADTKAGINHPBK-PKOBYXMFSA-N 2 1 414.981 3.773 20 0 HHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)c1 ZINC000543774360 1009342499 /nfs/dbraw/zinc/34/24/99/1009342499.db2.gz NXAOCRCVUWEAMG-JOCHJYFZSA-N 2 1 402.510 3.786 20 0 HHADMP CCc1nc(C(C)C)ccc1C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000549824296 1009435117 /nfs/dbraw/zinc/43/51/17/1009435117.db2.gz LHVYSWLVTVMGSQ-UHFFFAOYSA-N 2 1 400.611 3.534 20 0 HHADMP C[NH+](C)[C@@H](C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(Cl)c1 ZINC000520398642 1009533501 /nfs/dbraw/zinc/53/35/01/1009533501.db2.gz KNGNHBWCYUYSGB-JOCHJYFZSA-N 2 1 415.965 3.734 20 0 HHADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000520462816 1009573151 /nfs/dbraw/zinc/57/31/51/1009573151.db2.gz BMXQUKRHZOSVMH-INIZCTEOSA-N 2 1 410.400 3.680 20 0 HHADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000520462816 1009573161 /nfs/dbraw/zinc/57/31/61/1009573161.db2.gz BMXQUKRHZOSVMH-INIZCTEOSA-N 2 1 410.400 3.680 20 0 HHADMP C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000549999374 1009598218 /nfs/dbraw/zinc/59/82/18/1009598218.db2.gz DFFOGOWEADRQSL-YZZIRNTPSA-N 2 1 407.533 3.551 20 0 HHADMP C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000549999374 1009598230 /nfs/dbraw/zinc/59/82/30/1009598230.db2.gz DFFOGOWEADRQSL-YZZIRNTPSA-N 2 1 407.533 3.551 20 0 HHADMP C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000549999374 1009598241 /nfs/dbraw/zinc/59/82/41/1009598241.db2.gz DFFOGOWEADRQSL-YZZIRNTPSA-N 2 1 407.533 3.551 20 0 HHADMP C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000549999374 1009598249 /nfs/dbraw/zinc/59/82/49/1009598249.db2.gz DFFOGOWEADRQSL-YZZIRNTPSA-N 2 1 407.533 3.551 20 0 HHADMP CC[NH+](CC)C[C@H](C)NC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000520545866 1009631542 /nfs/dbraw/zinc/63/15/42/1009631542.db2.gz BNZFDWPBQJHSJL-INIZCTEOSA-N 2 1 414.516 3.699 20 0 HHADMP CC(C)[C@@](C)(Cc1ccc(Cl)cc1)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000550298895 1009844049 /nfs/dbraw/zinc/84/40/49/1009844049.db2.gz RMDCDRSITIQZJK-JOCHJYFZSA-N 2 1 401.986 3.629 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000544332653 1009956463 /nfs/dbraw/zinc/95/64/63/1009956463.db2.gz UUWNGOANWNGUPG-JTHBVZDNSA-N 2 1 400.611 3.805 20 0 HHADMP COc1ccc(Oc2ccc(C[N@@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@@H](C)C3)cc2)cc1 ZINC000544351042 1009977095 /nfs/dbraw/zinc/97/70/95/1009977095.db2.gz NIINLZMQEFOKCM-NBGIEHNGSA-N 2 1 409.574 3.945 20 0 HHADMP COc1ccc(Oc2ccc(C[N@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@@H](C)C3)cc2)cc1 ZINC000544351042 1009977106 /nfs/dbraw/zinc/97/71/06/1009977106.db2.gz NIINLZMQEFOKCM-NBGIEHNGSA-N 2 1 409.574 3.945 20 0 HHADMP CN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000544368675 1009997255 /nfs/dbraw/zinc/99/72/55/1009997255.db2.gz QSHGMQXJBVAHST-PXNSSMCTSA-N 2 1 410.965 3.599 20 0 HHADMP C[N@@H+]1CCCN(c2ccc(-c3noc([C@@H]4CCC[NH+]4Cc4ccccc4)n3)cn2)CC1 ZINC000547061560 1010015629 /nfs/dbraw/zinc/01/56/29/1010015629.db2.gz AWELOTAXUOPKIW-NRFANRHFSA-N 2 1 418.545 3.611 20 0 HHADMP C[N@H+]1CCCN(c2ccc(-c3noc([C@@H]4CCC[NH+]4Cc4ccccc4)n3)cn2)CC1 ZINC000547061560 1010015644 /nfs/dbraw/zinc/01/56/44/1010015644.db2.gz AWELOTAXUOPKIW-NRFANRHFSA-N 2 1 418.545 3.611 20 0 HHADMP C[NH+]1CCCN(c2ccc(-c3noc([C@@H]4CCC[N@@H+]4Cc4ccccc4)n3)cn2)CC1 ZINC000547061560 1010015658 /nfs/dbraw/zinc/01/56/58/1010015658.db2.gz AWELOTAXUOPKIW-NRFANRHFSA-N 2 1 418.545 3.611 20 0 HHADMP C[NH+]1CCCN(c2ccc(-c3noc([C@@H]4CCC[N@H+]4Cc4ccccc4)n3)cn2)CC1 ZINC000547061560 1010015667 /nfs/dbraw/zinc/01/56/67/1010015667.db2.gz AWELOTAXUOPKIW-NRFANRHFSA-N 2 1 418.545 3.611 20 0 HHADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3coc(-c4ccc(Cl)cc4)n3)CC2)CC1 ZINC000544488921 1010112761 /nfs/dbraw/zinc/11/27/61/1010112761.db2.gz DYRKQWICMCAIBU-UHFFFAOYSA-N 2 1 402.970 3.845 20 0 HHADMP CC1CC[NH+](CCCNC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000550788325 1010178332 /nfs/dbraw/zinc/17/83/32/1010178332.db2.gz MUVBKVXFMNUGKR-UHFFFAOYSA-N 2 1 400.611 3.662 20 0 HHADMP Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000547276266 1010221451 /nfs/dbraw/zinc/22/14/51/1010221451.db2.gz DNWIPXUFIONXMZ-KZULUSFZSA-N 2 1 410.381 3.598 20 0 HHADMP Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000547276266 1010221457 /nfs/dbraw/zinc/22/14/57/1010221457.db2.gz DNWIPXUFIONXMZ-KZULUSFZSA-N 2 1 410.381 3.598 20 0 HHADMP CC[NH+](CC)[C@@H](CNc1cc[nH+]c(N2CCOCC2)n1)c1ccc(C(F)(F)F)cc1 ZINC000544678259 1010293587 /nfs/dbraw/zinc/29/35/87/1010293587.db2.gz PRCXEKMYJIUXSG-SFHVURJKSA-N 2 1 423.483 3.827 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547502908 1010330432 /nfs/dbraw/zinc/33/04/32/1010330432.db2.gz KUWQYYYJBIIIFB-WQPRPRDESA-N 2 1 403.570 3.644 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccccc1 ZINC000547786419 1010426565 /nfs/dbraw/zinc/42/65/65/1010426565.db2.gz CADAALHLOUTISQ-CTNGQTDRSA-N 2 1 422.598 3.895 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccccc1 ZINC000547786419 1010426572 /nfs/dbraw/zinc/42/65/72/1010426572.db2.gz CADAALHLOUTISQ-CTNGQTDRSA-N 2 1 422.598 3.895 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1ccccc1 ZINC000547786420 1010427041 /nfs/dbraw/zinc/42/70/41/1010427041.db2.gz CADAALHLOUTISQ-FPOVZHCZSA-N 2 1 422.598 3.895 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1ccccc1 ZINC000547786420 1010427046 /nfs/dbraw/zinc/42/70/46/1010427046.db2.gz CADAALHLOUTISQ-FPOVZHCZSA-N 2 1 422.598 3.895 20 0 HHADMP C[C@H]([NH2+]C1CCC(C(=O)N2CCSCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547827428 1010441577 /nfs/dbraw/zinc/44/15/77/1010441577.db2.gz PNYDWLULYYUMEQ-IDJJCAIYSA-N 2 1 415.647 3.621 20 0 HHADMP O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000521533580 1010444664 /nfs/dbraw/zinc/44/46/64/1010444664.db2.gz JZBFZHTWOANRDD-HSZRJFAPSA-N 2 1 423.576 3.861 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000521685630 1010549828 /nfs/dbraw/zinc/54/98/28/1010549828.db2.gz ATEQVKYZMAEXQD-BGYRXZFFSA-N 2 1 406.590 3.657 20 0 HHADMP O=C(N1CC[C@@H]([NH+]2CCCCC2)C1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000521690381 1010553850 /nfs/dbraw/zinc/55/38/50/1010553850.db2.gz NIVGVCRJKYOVBJ-TZIWHRDSSA-N 2 1 409.496 3.528 20 0 HHADMP C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483579 1010641969 /nfs/dbraw/zinc/64/19/69/1010641969.db2.gz NTVDOZVBVNGJNH-SCWSEQNSSA-N 2 1 403.364 3.983 20 0 HHADMP C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483579 1010641973 /nfs/dbraw/zinc/64/19/73/1010641973.db2.gz NTVDOZVBVNGJNH-SCWSEQNSSA-N 2 1 403.364 3.983 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(I)c2)[C@H](C)C1 ZINC000551537454 1010645323 /nfs/dbraw/zinc/64/53/23/1010645323.db2.gz JGJXLFCOZLUTBK-QAPCUYQASA-N 2 1 416.347 3.518 20 0 HHADMP C(=C\c1ccccc1)\C[NH+]1CCN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551693881 1010743987 /nfs/dbraw/zinc/74/39/87/1010743987.db2.gz ICKCHILGKMCGPJ-KFYCXLDASA-N 2 1 405.586 3.609 20 0 HHADMP C(=C\c1ccccc1)\C[NH+]1CCN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551693881 1010743998 /nfs/dbraw/zinc/74/39/98/1010743998.db2.gz ICKCHILGKMCGPJ-KFYCXLDASA-N 2 1 405.586 3.609 20 0 HHADMP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000548919275 1010760001 /nfs/dbraw/zinc/76/00/01/1010760001.db2.gz OZXJBWVBOLYJGS-SFHVURJKSA-N 2 1 400.592 3.584 20 0 HHADMP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000548919275 1010760010 /nfs/dbraw/zinc/76/00/10/1010760010.db2.gz OZXJBWVBOLYJGS-SFHVURJKSA-N 2 1 400.592 3.584 20 0 HHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000522079362 1010796430 /nfs/dbraw/zinc/79/64/30/1010796430.db2.gz YMHOGMMMLQYTTE-IBGZPJMESA-N 2 1 418.601 3.990 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000522088614 1010801970 /nfs/dbraw/zinc/80/19/70/1010801970.db2.gz RQAKVUOBNUXRDY-WIYYLYMNSA-N 2 1 400.592 3.562 20 0 HHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000522092918 1010805943 /nfs/dbraw/zinc/80/59/43/1010805943.db2.gz XUPGSWJPCCATHW-HXUWFJFHSA-N 2 1 416.610 3.583 20 0 HHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000522092918 1010805952 /nfs/dbraw/zinc/80/59/52/1010805952.db2.gz XUPGSWJPCCATHW-HXUWFJFHSA-N 2 1 416.610 3.583 20 0 HHADMP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@H]4CCC[N@@H+]4Cc4ccccc43)cc2F)CC1 ZINC000522202468 1010863104 /nfs/dbraw/zinc/86/31/04/1010863104.db2.gz AWKZGEGOCUUQOX-OAQYLSRUSA-N 2 1 422.548 3.592 20 0 HHADMP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@H]4CCC[N@H+]4Cc4ccccc43)cc2F)CC1 ZINC000522202468 1010863110 /nfs/dbraw/zinc/86/31/10/1010863110.db2.gz AWKZGEGOCUUQOX-OAQYLSRUSA-N 2 1 422.548 3.592 20 0 HHADMP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000522293647 1010911271 /nfs/dbraw/zinc/91/12/71/1010911271.db2.gz HVZWAAQCYPTIOJ-JOCHJYFZSA-N 2 1 412.553 3.564 20 0 HHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H](c3ccccc3)[NH+]3CCSCC3)C2)CC1 ZINC000522703207 1011167322 /nfs/dbraw/zinc/16/73/22/1011167322.db2.gz VCPBQJKMYHDQNZ-FYYLOGMGSA-N 2 1 415.647 3.747 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522763794 1011202572 /nfs/dbraw/zinc/20/25/72/1011202572.db2.gz SYZMLBPWIBBKJS-KPFFTGBYSA-N 2 1 424.511 3.624 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522763794 1011202575 /nfs/dbraw/zinc/20/25/75/1011202575.db2.gz SYZMLBPWIBBKJS-KPFFTGBYSA-N 2 1 424.511 3.624 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522763794 1011202581 /nfs/dbraw/zinc/20/25/81/1011202581.db2.gz SYZMLBPWIBBKJS-KPFFTGBYSA-N 2 1 424.511 3.624 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000536155714 1011280720 /nfs/dbraw/zinc/28/07/20/1011280720.db2.gz OLEODYAIDUJFMG-OTUUDDROSA-N 2 1 406.574 3.784 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000536155714 1011280727 /nfs/dbraw/zinc/28/07/27/1011280727.db2.gz OLEODYAIDUJFMG-OTUUDDROSA-N 2 1 406.574 3.784 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000536155714 1011280742 /nfs/dbraw/zinc/28/07/42/1011280742.db2.gz OLEODYAIDUJFMG-OTUUDDROSA-N 2 1 406.574 3.784 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540718830 1011369569 /nfs/dbraw/zinc/36/95/69/1011369569.db2.gz NSIBXGQHYGIFBB-BXIUTXANSA-N 2 1 410.965 3.785 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540718830 1011369581 /nfs/dbraw/zinc/36/95/81/1011369581.db2.gz NSIBXGQHYGIFBB-BXIUTXANSA-N 2 1 410.965 3.785 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540718830 1011369590 /nfs/dbraw/zinc/36/95/90/1011369590.db2.gz NSIBXGQHYGIFBB-BXIUTXANSA-N 2 1 410.965 3.785 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540718830 1011369599 /nfs/dbraw/zinc/36/95/99/1011369599.db2.gz NSIBXGQHYGIFBB-BXIUTXANSA-N 2 1 410.965 3.785 20 0 HHADMP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1nc(-c2ccccc2)cs1 ZINC000540788762 1011449050 /nfs/dbraw/zinc/44/90/50/1011449050.db2.gz HEURMRZWTMKTTP-NQIIRXRSSA-N 2 1 422.598 3.750 20 0 HHADMP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc(Br)cc1 ZINC000540954071 1011598561 /nfs/dbraw/zinc/59/85/61/1011598561.db2.gz FZPZKMIJFCUPBW-UVUJQTEASA-N 2 1 415.375 3.983 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cnn(Cc2ccccc2)c1 ZINC000540991196 1011625220 /nfs/dbraw/zinc/62/52/20/1011625220.db2.gz DVEJJDSQVLEDFR-NLFFAJNJSA-N 2 1 404.558 3.739 20 0 HHADMP CC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(C[NH+](C[C@@H]3CCCCO3)C(C)C)cc2)C1 ZINC000541032911 1011667026 /nfs/dbraw/zinc/66/70/26/1011667026.db2.gz CVBGOLKZCACYAL-GGAORHGYSA-N 2 1 416.610 3.929 20 0 HHADMP CC[NH+]1CC[C@H](CNC(=O)Nc2ccc(C[N@H+](C[C@@H]3CCCCO3)C(C)C)cc2)C1 ZINC000541032911 1011667028 /nfs/dbraw/zinc/66/70/28/1011667028.db2.gz CVBGOLKZCACYAL-GGAORHGYSA-N 2 1 416.610 3.929 20 0 HHADMP CC[NH+]1CC[C@H](CNC(=O)Nc2ccc(C[N@@H+](C[C@@H]3CCCCO3)C(C)C)cc2)C1 ZINC000541032911 1011667035 /nfs/dbraw/zinc/66/70/35/1011667035.db2.gz CVBGOLKZCACYAL-GGAORHGYSA-N 2 1 416.610 3.929 20 0 HHADMP C[C@@H](C(=O)NCCc1cccs1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536485366 1011696740 /nfs/dbraw/zinc/69/67/40/1011696740.db2.gz JLVABYBXTONJAK-FQEVSTJZSA-N 2 1 411.615 3.783 20 0 HHADMP COc1ccc(OC)c(NC(=O)C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000536486062 1011698069 /nfs/dbraw/zinc/69/80/69/1011698069.db2.gz OBCTXMVOFHAGEH-UHFFFAOYSA-N 2 1 423.557 3.630 20 0 HHADMP COc1ccc(OC)c(NC(=O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000536486062 1011698082 /nfs/dbraw/zinc/69/80/82/1011698082.db2.gz OBCTXMVOFHAGEH-UHFFFAOYSA-N 2 1 423.557 3.630 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000536521053 1011711877 /nfs/dbraw/zinc/71/18/77/1011711877.db2.gz YONWWJHFZOPCCH-QUCCMNQESA-N 2 1 404.574 3.683 20 0 HHADMP C[N@H+]1CC=C(CNC(=O)N[C@H]2CC[NH+](C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000541151446 1011811897 /nfs/dbraw/zinc/81/18/97/1011811897.db2.gz WZLQSUCPIQMDCD-PMACEKPBSA-N 2 1 422.976 3.954 20 0 HHADMP C[N@@H+]1CC=C(CNC(=O)N[C@H]2CC[NH+](C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000541151446 1011811915 /nfs/dbraw/zinc/81/19/15/1011811915.db2.gz WZLQSUCPIQMDCD-PMACEKPBSA-N 2 1 422.976 3.954 20 0 HHADMP C[NH+]1CC=C(CNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000541151446 1011811932 /nfs/dbraw/zinc/81/19/32/1011811932.db2.gz WZLQSUCPIQMDCD-PMACEKPBSA-N 2 1 422.976 3.954 20 0 HHADMP C[NH+]1CC=C(CNC(=O)N[C@H]2CC[N@H+](C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000541151446 1011811950 /nfs/dbraw/zinc/81/19/50/1011811950.db2.gz WZLQSUCPIQMDCD-PMACEKPBSA-N 2 1 422.976 3.954 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3c[nH]nc3-c3cccs3)CC2)CC1 ZINC000536664953 1011816811 /nfs/dbraw/zinc/81/68/11/1011816811.db2.gz ZAXVPXWPHSXVTQ-UHFFFAOYSA-N 2 1 401.624 3.766 20 0 HHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1c[nH]nc1-c1cccs1 ZINC000536664953 1011816825 /nfs/dbraw/zinc/81/68/25/1011816825.db2.gz ZAXVPXWPHSXVTQ-UHFFFAOYSA-N 3 1 401.624 3.766 20 0 HHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1c[nH]nc1-c1cccs1 ZINC000536664953 1011816843 /nfs/dbraw/zinc/81/68/43/1011816843.db2.gz ZAXVPXWPHSXVTQ-UHFFFAOYSA-N 3 1 401.624 3.766 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000536702054 1011871656 /nfs/dbraw/zinc/87/16/56/1011871656.db2.gz AVXOBFQKCWABLT-RUZDIDTESA-N 2 1 406.574 3.887 20 0 HHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nc3cc(C(F)(F)F)ccc3n2C)CC1 ZINC000536708908 1011880504 /nfs/dbraw/zinc/88/05/04/1011880504.db2.gz BQYYYFBBVLAHAN-UHFFFAOYSA-N 2 1 412.500 3.915 20 0 HHADMP Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552055599 1012073121 /nfs/dbraw/zinc/07/31/21/1012073121.db2.gz VZWGLHJFUOLDCL-BKXWLNCVSA-N 2 1 408.590 3.778 20 0 HHADMP Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552055601 1012073435 /nfs/dbraw/zinc/07/34/35/1012073435.db2.gz VZWGLHJFUOLDCL-PPWDSJTCSA-N 2 1 408.590 3.778 20 0 HHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2CC[C@@H](c4nc(C5CC5)no4)O2)C3)cc1 ZINC000552087747 1012101454 /nfs/dbraw/zinc/10/14/54/1012101454.db2.gz QBKJFQKEXCUWLD-YHINDDMVSA-N 2 1 408.546 3.952 20 0 HHADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000552110850 1012126627 /nfs/dbraw/zinc/12/66/27/1012126627.db2.gz DHTVGCNCIOMYGW-VWLOTQADSA-N 2 1 401.558 3.911 20 0 HHADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000552110850 1012126637 /nfs/dbraw/zinc/12/66/37/1012126637.db2.gz DHTVGCNCIOMYGW-VWLOTQADSA-N 2 1 401.558 3.911 20 0 HHADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000552110850 1012126646 /nfs/dbraw/zinc/12/66/46/1012126646.db2.gz DHTVGCNCIOMYGW-VWLOTQADSA-N 2 1 401.558 3.911 20 0 HHADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000552110850 1012126660 /nfs/dbraw/zinc/12/66/60/1012126660.db2.gz DHTVGCNCIOMYGW-VWLOTQADSA-N 2 1 401.558 3.911 20 0 HHADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536933510 1012224190 /nfs/dbraw/zinc/22/41/90/1012224190.db2.gz BQGKAVLWIVTKDD-FGTMMUONSA-N 2 1 412.521 3.939 20 0 HHADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536933510 1012224197 /nfs/dbraw/zinc/22/41/97/1012224197.db2.gz BQGKAVLWIVTKDD-FGTMMUONSA-N 2 1 412.521 3.939 20 0 HHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000536962973 1012256443 /nfs/dbraw/zinc/25/64/43/1012256443.db2.gz LSVHUKYGOCRKRG-ROUUACIJSA-N 2 1 401.576 3.559 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000523666383 1012261360 /nfs/dbraw/zinc/26/13/60/1012261360.db2.gz CGDKRFRRPVRICH-HXUWFJFHSA-N 2 1 400.611 3.840 20 0 HHADMP C[N@@H+](CCCn1ccnc1)CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000537018930 1012324207 /nfs/dbraw/zinc/32/42/07/1012324207.db2.gz ZCXHZKMFEKTRGK-UHFFFAOYSA-N 2 1 408.346 3.881 20 0 HHADMP CN(CCCn1ccnc1)CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000537018930 1012324224 /nfs/dbraw/zinc/32/42/24/1012324224.db2.gz ZCXHZKMFEKTRGK-UHFFFAOYSA-N 2 1 408.346 3.881 20 0 HHADMP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537024859 1012333170 /nfs/dbraw/zinc/33/31/70/1012333170.db2.gz BVBJXQYOUKGGML-ONTIZHBOSA-N 2 1 409.574 3.904 20 0 HHADMP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537024859 1012333181 /nfs/dbraw/zinc/33/31/81/1012333181.db2.gz BVBJXQYOUKGGML-ONTIZHBOSA-N 2 1 409.574 3.904 20 0 HHADMP CC(C)c1ccc(OCCNC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000541600285 1012396079 /nfs/dbraw/zinc/39/60/79/1012396079.db2.gz AZAUJVGXOSFHEH-FPOVZHCZSA-N 2 1 401.595 3.548 20 0 HHADMP CC(C)c1ccc(OCCNC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000541600285 1012396085 /nfs/dbraw/zinc/39/60/85/1012396085.db2.gz AZAUJVGXOSFHEH-FPOVZHCZSA-N 2 1 401.595 3.548 20 0 HHADMP Cc1ccc(-c2noc([C@H](C)[NH+]3CCC(C)(C[NH+]4CCN(C)CC4)CC3)n2)cc1F ZINC000541664313 1012492984 /nfs/dbraw/zinc/49/29/84/1012492984.db2.gz WDQYVFIWUVJPPI-SFHVURJKSA-N 2 1 415.557 3.595 20 0 HHADMP CC[C@@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cc(F)ccc1F ZINC000537156213 1012551357 /nfs/dbraw/zinc/55/13/57/1012551357.db2.gz AGKZORUBTQWEGU-JOCHJYFZSA-N 2 1 401.501 3.918 20 0 HHADMP Cc1ccc([C@H](CNC(=O)NCC[N@@H+]2CCc3sccc3C2)[NH+]2CCCC2)cc1 ZINC000523904543 1012617471 /nfs/dbraw/zinc/61/74/71/1012617471.db2.gz YQTOCKFQJFIGET-NRFANRHFSA-N 2 1 412.603 3.551 20 0 HHADMP Cc1ccc([C@H](CNC(=O)NCC[N@H+]2CCc3sccc3C2)[NH+]2CCCC2)cc1 ZINC000523904543 1012617481 /nfs/dbraw/zinc/61/74/81/1012617481.db2.gz YQTOCKFQJFIGET-NRFANRHFSA-N 2 1 412.603 3.551 20 0 HHADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000541816285 1012702788 /nfs/dbraw/zinc/70/27/88/1012702788.db2.gz ISNXLZZNTYUOFA-LJQANCHMSA-N 2 1 412.578 3.783 20 0 HHADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000541816285 1012702804 /nfs/dbraw/zinc/70/28/04/1012702804.db2.gz ISNXLZZNTYUOFA-LJQANCHMSA-N 2 1 412.578 3.783 20 0 HHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000541915588 1012772807 /nfs/dbraw/zinc/77/28/07/1012772807.db2.gz RTAIOKZIVIBDEI-JVYGEBFASA-N 3 1 419.613 3.644 20 0 HHADMP O[C@@H]1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000541915588 1012772818 /nfs/dbraw/zinc/77/28/18/1012772818.db2.gz RTAIOKZIVIBDEI-JVYGEBFASA-N 3 1 419.613 3.644 20 0 HHADMP O[C@@H]1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000541915588 1012772835 /nfs/dbraw/zinc/77/28/35/1012772835.db2.gz RTAIOKZIVIBDEI-JVYGEBFASA-N 3 1 419.613 3.644 20 0 HHADMP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cnn1-c1ccc(F)cc1 ZINC000541918439 1012777020 /nfs/dbraw/zinc/77/70/20/1012777020.db2.gz BBIMBRDFAZRKFO-GAJHUEQPSA-N 2 1 408.521 3.737 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCc2ccc(OC(F)F)cc2)cc1 ZINC000541955350 1012818295 /nfs/dbraw/zinc/81/82/95/1012818295.db2.gz KBZKYOCVBCAKSN-HNNXBMFYSA-N 2 1 414.456 3.749 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000524135943 1012921230 /nfs/dbraw/zinc/92/12/30/1012921230.db2.gz XTEZXUQUDJWIPQ-OFNKIYASSA-N 2 1 400.611 3.803 20 0 HHADMP CCC[NH+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2CCC)c(C)c1C ZINC000552954089 1012940386 /nfs/dbraw/zinc/94/03/86/1012940386.db2.gz VHZZOVUVNHAKDV-VXKWHMMOSA-N 2 1 414.594 3.929 20 0 HHADMP CC[N@H+]1CC[C@@H]1CNC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001687421521 1071903816 /nfs/dbraw/zinc/90/38/16/1071903816.db2.gz LYJLUPDZJHCQLZ-DNQXCXABSA-N 2 1 412.622 3.947 20 0 HHADMP CCCCc1nc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)cs1 ZINC000487844044 1072079847 /nfs/dbraw/zinc/07/98/47/1072079847.db2.gz QFJNHRZLOJRBKV-UHFFFAOYSA-N 2 1 406.640 3.690 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@H]3c3ccc(C)cc3)cc2)CC1 ZINC000897606487 1072335569 /nfs/dbraw/zinc/33/55/69/1072335569.db2.gz QDDHCINBMDULTD-DEOSSOPVSA-N 2 1 406.574 3.913 20 0 HHADMP Cc1cc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)cc(F)c1F ZINC001143600669 1072437718 /nfs/dbraw/zinc/43/77/18/1072437718.db2.gz YPVJPXLNENBDTR-CEMLEFRQSA-N 2 1 408.533 3.754 20 0 HHADMP C[NH+](C)C1CCC([N@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@]3(C(F)(F)F)C2)CC1 ZINC001168314497 1072494693 /nfs/dbraw/zinc/49/46/93/1072494693.db2.gz LZLSROUMYWTYID-GKSFYBEXSA-N 2 1 405.505 3.590 20 0 HHADMP CCC[N@@H+]([C@@H](C)C(=O)Nc1c(C)csc1C(=O)OC)C1CCC([NH+](C)C)CC1 ZINC001168324792 1072503979 /nfs/dbraw/zinc/50/39/79/1072503979.db2.gz XHUYKJBJSBCLRD-GTPINHCMSA-N 2 1 409.596 3.755 20 0 HHADMP C[NH+]1CCN(C(=O)C2CC[NH+](C3CCC(c4ccc(Cl)cc4)CC3)CC2)CC1 ZINC001168343062 1072522921 /nfs/dbraw/zinc/52/29/21/1072522921.db2.gz FYCFZXWKENKNFI-UHFFFAOYSA-N 2 1 403.998 3.852 20 0 HHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc(Br)c(F)c2F)no1 ZINC001212145204 1072529343 /nfs/dbraw/zinc/52/93/43/1072529343.db2.gz NUXJMDHAZWIPBY-LBPRGKRZSA-N 2 1 403.271 3.945 20 0 HHADMP Cc1[nH+]ccn1CC(=O)c1cccc(-c2noc([C@@H]3CCCC[C@@]34CC[NH2+]C4)n2)c1 ZINC001212118379 1072531194 /nfs/dbraw/zinc/53/11/94/1072531194.db2.gz LFMRMJAWXOJLMQ-CVDCTZTESA-N 2 1 405.502 3.762 20 0 HHADMP C[NH+](C)CC1CC[NH+](c2ccc(N[C@H](Cc3ccc(Cl)cc3)C(N)=O)cc2)CC1 ZINC000760578879 1072662549 /nfs/dbraw/zinc/66/25/49/1072662549.db2.gz HUKRXQIWIAEWIH-JOCHJYFZSA-N 2 1 414.981 3.627 20 0 HHADMP CN(C(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001126870380 1072858910 /nfs/dbraw/zinc/85/89/10/1072858910.db2.gz RUADQYDYWCAYCI-ODTUPPAISA-N 2 1 421.585 3.763 20 0 HHADMP C[C@@H](CNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC000555074538 1073135813 /nfs/dbraw/zinc/13/58/13/1073135813.db2.gz BETBPGDWHCRCOP-HNAYVOBHSA-N 2 1 421.010 3.750 20 0 HHADMP C[C@@H](CNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC000555074538 1073135816 /nfs/dbraw/zinc/13/58/16/1073135816.db2.gz BETBPGDWHCRCOP-HNAYVOBHSA-N 2 1 421.010 3.750 20 0 HHADMP C[C@@H](NC(=O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1cccc2ccccc21 ZINC000588710623 1073156472 /nfs/dbraw/zinc/15/64/72/1073156472.db2.gz UBWLAZOQHCMGCQ-NJDAHSKKSA-N 2 1 423.601 3.838 20 0 HHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nc(-c4ccc(Cl)cc4)no3)CC2)C[C@H](C)O1 ZINC000588711209 1073156537 /nfs/dbraw/zinc/15/65/37/1073156537.db2.gz MVQCAJYZMNNSFD-IYBDPMFKSA-N 2 1 404.942 3.711 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nc(-c4ccc(Cl)cc4)no3)CC2)C[C@H](C)O1 ZINC000588711209 1073156539 /nfs/dbraw/zinc/15/65/39/1073156539.db2.gz MVQCAJYZMNNSFD-IYBDPMFKSA-N 2 1 404.942 3.711 20 0 HHADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC000588710799 1073156686 /nfs/dbraw/zinc/15/66/86/1073156686.db2.gz WJIOTUMHPYNSRI-ACRUOGEOSA-N 2 1 401.595 3.760 20 0 HHADMP C[NH+]1CCN(c2ccccc2-c2noc([C@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)CC1 ZINC000555109410 1073165408 /nfs/dbraw/zinc/16/54/08/1073165408.db2.gz PMSZTRWEVYWGOE-NRFANRHFSA-N 2 1 417.557 3.868 20 0 HHADMP CCOc1cc(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc(Cl)c1O ZINC000572196312 1073225216 /nfs/dbraw/zinc/22/52/16/1073225216.db2.gz RMMZTYVXALTVQI-NRFANRHFSA-N 2 1 417.981 3.913 20 0 HHADMP Cc1cc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)cc(F)c1F ZINC001143605663 1073248980 /nfs/dbraw/zinc/24/89/80/1073248980.db2.gz PUPXURCVICRXEJ-UHFFFAOYSA-N 2 1 401.501 3.783 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C(=O)OCC)c3ccccc32)[C@@H](C)C1 ZINC000555228028 1073273448 /nfs/dbraw/zinc/27/34/48/1073273448.db2.gz TVQONZCHQHWFSI-FDTGPBLFSA-N 2 1 402.579 3.895 20 0 HHADMP CC[N@H+](CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999503 1073440360 /nfs/dbraw/zinc/44/03/60/1073440360.db2.gz NALPUMWIDYEKIL-UHFFFAOYSA-N 2 1 423.536 3.842 20 0 HHADMP CC[N@@H+](CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999503 1073440363 /nfs/dbraw/zinc/44/03/63/1073440363.db2.gz NALPUMWIDYEKIL-UHFFFAOYSA-N 2 1 423.536 3.842 20 0 HHADMP CC(C)[N@H+]1CCCN(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000590157334 1073599032 /nfs/dbraw/zinc/59/90/32/1073599032.db2.gz LQMHOOURKBBGCX-OYRHEFFESA-N 2 1 400.611 3.790 20 0 HHADMP CC(C)[NH+]1CCCN(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000590157334 1073599045 /nfs/dbraw/zinc/59/90/45/1073599045.db2.gz LQMHOOURKBBGCX-OYRHEFFESA-N 2 1 400.611 3.790 20 0 HHADMP CC(C)[NH+]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000590157334 1073599055 /nfs/dbraw/zinc/59/90/55/1073599055.db2.gz LQMHOOURKBBGCX-OYRHEFFESA-N 2 1 400.611 3.790 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000555582622 1073650521 /nfs/dbraw/zinc/65/05/21/1073650521.db2.gz DSHSFKQTQQPVTP-PZJWPPBQSA-N 2 1 409.549 3.784 20 0 HHADMP Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)NCC2CC[NH+](C)CC2)c1 ZINC000555695872 1073743445 /nfs/dbraw/zinc/74/34/45/1073743445.db2.gz QQSXCXYPGZERDD-RPBOFIJWSA-N 2 1 405.586 3.669 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000591426699 1074286153 /nfs/dbraw/zinc/28/61/53/1074286153.db2.gz OVDXLONTBXRLBF-HXUWFJFHSA-N 2 1 409.574 3.931 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)C1 ZINC000591617443 1074444009 /nfs/dbraw/zinc/44/40/09/1074444009.db2.gz QZAHRHQJHBKFTO-HSZRJFAPSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000591617443 1074444013 /nfs/dbraw/zinc/44/40/13/1074444013.db2.gz QZAHRHQJHBKFTO-HSZRJFAPSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000591617443 1074444019 /nfs/dbraw/zinc/44/40/19/1074444019.db2.gz QZAHRHQJHBKFTO-HSZRJFAPSA-N 2 1 400.611 3.660 20 0 HHADMP C[NH+]1CCN(C(=O)C2CC[NH+](CCCCc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000573487151 1074524950 /nfs/dbraw/zinc/52/49/50/1074524950.db2.gz HGVUDLICDCCZDG-UHFFFAOYSA-N 2 1 411.512 3.514 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CC[NH+](C4CCCC4)C3)cc2)C1 ZINC000592487480 1074768425 /nfs/dbraw/zinc/76/84/25/1074768425.db2.gz RHZDGFRKNGRWID-ZRCGQRJVSA-N 2 1 412.622 3.981 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)cc2)C1 ZINC000592487480 1074768431 /nfs/dbraw/zinc/76/84/31/1074768431.db2.gz RHZDGFRKNGRWID-ZRCGQRJVSA-N 2 1 412.622 3.981 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)cc2)C1 ZINC000592487480 1074768440 /nfs/dbraw/zinc/76/84/40/1074768440.db2.gz RHZDGFRKNGRWID-ZRCGQRJVSA-N 2 1 412.622 3.981 20 0 HHADMP C[C@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574096180 1075166700 /nfs/dbraw/zinc/16/67/00/1075166700.db2.gz MTFDLWIHFZTFCW-GIALRWNJSA-N 2 1 421.585 3.523 20 0 HHADMP O=C(N1CCC[C@@H]([NH+]2CCCC2)C1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000593829938 1075229328 /nfs/dbraw/zinc/22/93/28/1075229328.db2.gz GDVRIJRWALGJFO-CTNGQTDRSA-N 2 1 409.496 3.528 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)CC1 ZINC000594320992 1075294042 /nfs/dbraw/zinc/29/40/42/1075294042.db2.gz BOSPAUZHMHMWNO-UHFFFAOYSA-N 2 1 422.658 3.564 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)CC2)cs1 ZINC000597723709 1075698142 /nfs/dbraw/zinc/69/81/42/1075698142.db2.gz RPNDDWLQHXOMNY-FVJLSDCUSA-N 2 1 404.624 3.527 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)CC2)cs1 ZINC000597723709 1075698145 /nfs/dbraw/zinc/69/81/45/1075698145.db2.gz RPNDDWLQHXOMNY-FVJLSDCUSA-N 2 1 404.624 3.527 20 0 HHADMP FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001164413229 718880521 /nfs/dbraw/zinc/88/05/21/718880521.db2.gz DWOHKAQZAUGCOG-OAHLLOKOSA-N 2 1 402.892 3.984 20 0 HHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4[NH2+]Cc5ccccc5[C@@H]4C3)c2c1C ZINC001164425495 718945035 /nfs/dbraw/zinc/94/50/35/718945035.db2.gz VQACKSHYRDSZEF-PMACEKPBSA-N 2 1 419.598 3.980 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cccc3c(Cl)ncnc32)c2c1CC[NH2+]C2 ZINC001164680126 719643794 /nfs/dbraw/zinc/64/37/94/719643794.db2.gz OZALKJJLHDIATB-UHFFFAOYSA-N 2 1 420.895 3.563 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cccc3c(Cl)ncnc32)c2c1CC[NH2+]C2 ZINC001164680126 719643801 /nfs/dbraw/zinc/64/38/01/719643801.db2.gz OZALKJJLHDIATB-UHFFFAOYSA-N 2 1 420.895 3.563 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(-c2nc3c(Cl)cccc3nc2Cl)c2c1CC[NH2+]C2 ZINC001164679456 719649475 /nfs/dbraw/zinc/64/94/75/719649475.db2.gz BAZLOEWGERFOCD-UHFFFAOYSA-N 2 1 405.333 3.608 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(-c2nc3c(Cl)cccc3nc2Cl)c2c1CC[NH2+]C2 ZINC001164679456 719649477 /nfs/dbraw/zinc/64/94/77/719649477.db2.gz BAZLOEWGERFOCD-UHFFFAOYSA-N 2 1 405.333 3.608 20 0 HHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(OC(C)C)cc[nH+]1)CC2 ZINC001164715585 720123770 /nfs/dbraw/zinc/12/37/70/720123770.db2.gz IFUKXAUBYNOHLU-NRFANRHFSA-N 2 1 410.562 3.771 20 0 HHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[NH+](CC2CC2)C[C@H]3COC)nc1 ZINC001164819026 720194868 /nfs/dbraw/zinc/19/48/68/720194868.db2.gz VNHXYIDAFZOGEQ-JBRSBNLGSA-N 2 1 412.622 3.813 20 0 HHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)nc1 ZINC001164819026 720194869 /nfs/dbraw/zinc/19/48/69/720194869.db2.gz VNHXYIDAFZOGEQ-JBRSBNLGSA-N 2 1 412.622 3.813 20 0 HHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)nc1 ZINC001164819026 720194871 /nfs/dbraw/zinc/19/48/71/720194871.db2.gz VNHXYIDAFZOGEQ-JBRSBNLGSA-N 2 1 412.622 3.813 20 0 HHADMP CCN(C)c1cc(C)[nH+]c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164838131 720654285 /nfs/dbraw/zinc/65/42/85/720654285.db2.gz GAOAZRWYWPQHQC-NRFANRHFSA-N 2 1 409.578 3.501 20 0 HHADMP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ccc4c([nH+]2)CCC4)C3)c1 ZINC001164757498 720884148 /nfs/dbraw/zinc/88/41/48/720884148.db2.gz VFGDILWYSLFHHB-ZEQKJWHPSA-N 2 1 418.585 3.720 20 0 HHADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccc4c([nH+]2)CCC4)C3)c1 ZINC001164757498 720884150 /nfs/dbraw/zinc/88/41/50/720884150.db2.gz VFGDILWYSLFHHB-ZEQKJWHPSA-N 2 1 418.585 3.720 20 0 HHADMP CCOc1cc[nH+]c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164756913 720888433 /nfs/dbraw/zinc/88/84/33/720888433.db2.gz SCPRYFUZFYMVPH-WIOPSUGQSA-N 2 1 422.573 3.630 20 0 HHADMP Cc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1NCC1CC1 ZINC001165026886 721797880 /nfs/dbraw/zinc/79/78/80/721797880.db2.gz RZHCKALWZLVDJC-KSEOMHKRSA-N 2 1 406.578 3.739 20 0 HHADMP Cc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1NCC1CC1 ZINC001165026886 721797882 /nfs/dbraw/zinc/79/78/82/721797882.db2.gz RZHCKALWZLVDJC-KSEOMHKRSA-N 2 1 406.578 3.739 20 0 HHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3C[NH+]3CCCC3)C[C@@H]21 ZINC001165023253 721830669 /nfs/dbraw/zinc/83/06/69/721830669.db2.gz IKUTVQXIBBTPTN-FGCOXFRFSA-N 2 1 405.590 3.809 20 0 HHADMP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(C[N@@H+](C)C3CC3)cn2)CC1 ZINC001165022998 721844270 /nfs/dbraw/zinc/84/42/70/721844270.db2.gz VVEBJJZADPMBGX-UHFFFAOYSA-N 2 1 424.589 3.794 20 0 HHADMP C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000301313633 970862231 /nfs/dbraw/zinc/86/22/31/970862231.db2.gz KIKGIPDMUGRVBX-QGZVFWFLSA-N 2 1 403.368 3.604 20 0 HHADMP C[N@H+]1CCCC[C@@H]1CN1CCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000301313633 970862241 /nfs/dbraw/zinc/86/22/41/970862241.db2.gz KIKGIPDMUGRVBX-QGZVFWFLSA-N 2 1 403.368 3.604 20 0 HHADMP COc1cc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)cc(OC)c1OC ZINC000301602591 970997350 /nfs/dbraw/zinc/99/73/50/970997350.db2.gz WIDBADGORKOKLZ-UHFFFAOYSA-N 2 1 407.514 3.891 20 0 HHADMP Cc1ccc2[nH+]ccc(NCc3cccc(NC(=O)CC[NH+]4CCOCC4)c3)c2c1 ZINC000302155908 971190182 /nfs/dbraw/zinc/19/01/82/971190182.db2.gz MSSHEGNYOASTGO-UHFFFAOYSA-N 2 1 404.514 3.816 20 0 HHADMP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000303078959 971492319 /nfs/dbraw/zinc/49/23/19/971492319.db2.gz SURYOJTUOKFRSE-UPVQGACJSA-N 2 1 409.549 3.991 20 0 HHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000303550723 971848070 /nfs/dbraw/zinc/84/80/70/971848070.db2.gz JPHZEVCPIMRTGJ-LJQANCHMSA-N 2 1 414.594 3.584 20 0 HHADMP C[C@@H]1C[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000537621853 1013167061 /nfs/dbraw/zinc/16/70/61/1013167061.db2.gz JHYRFADUOQPVCO-PXDATVDWSA-N 2 1 421.633 3.683 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000537621853 1013167073 /nfs/dbraw/zinc/16/70/73/1013167073.db2.gz JHYRFADUOQPVCO-PXDATVDWSA-N 2 1 421.633 3.683 20 0 HHADMP C[C@@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000303873518 972415088 /nfs/dbraw/zinc/41/50/88/972415088.db2.gz XVPNWEHAGMXADE-QGZVFWFLSA-N 2 1 424.545 3.632 20 0 HHADMP Cc1nn(-c2ccncc2)cc1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000542246838 1013204883 /nfs/dbraw/zinc/20/48/83/1013204883.db2.gz KIKWRVWUYZVSOT-UHFFFAOYSA-N 2 1 419.573 3.737 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)cc1 ZINC000542252280 1013212419 /nfs/dbraw/zinc/21/24/19/1013212419.db2.gz BNZQWYPRNJIBKY-JLTOFOAXSA-N 2 1 416.447 3.947 20 0 HHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(Br)c4cccnc34)C2)CC1 ZINC000542279418 1013240260 /nfs/dbraw/zinc/24/02/60/1013240260.db2.gz VHBIUTIZZQNWAQ-GOSISDBHSA-N 2 1 417.395 3.598 20 0 HHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(Br)c4cccnc34)C2)CC1 ZINC000542279418 1013240270 /nfs/dbraw/zinc/24/02/70/1013240270.db2.gz VHBIUTIZZQNWAQ-GOSISDBHSA-N 2 1 417.395 3.598 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)cc2)C1 ZINC000553314364 1013267506 /nfs/dbraw/zinc/26/75/06/1013267506.db2.gz IKXLSKFPLJGEPS-CVDCTZTESA-N 2 1 415.647 3.752 20 0 HHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3cc(C)cc4c(C)c(C)[nH]c43)CC2)CC1 ZINC000553383093 1013316715 /nfs/dbraw/zinc/31/67/15/1013316715.db2.gz DHCCSWBJYBOUJT-UHFFFAOYSA-N 2 1 410.606 3.906 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1sc(-c2ccccc2)nc1C ZINC000542367845 1013323199 /nfs/dbraw/zinc/32/31/99/1013323199.db2.gz WRBYXTUKPCPIJM-LJQANCHMSA-N 2 1 415.607 3.998 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000553445872 1013359638 /nfs/dbraw/zinc/35/96/38/1013359638.db2.gz FQHMGOJIVWTJSM-WIOPSUGQSA-N 2 1 412.622 3.949 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553445872 1013359648 /nfs/dbraw/zinc/35/96/48/1013359648.db2.gz FQHMGOJIVWTJSM-WIOPSUGQSA-N 2 1 412.622 3.949 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553445872 1013359659 /nfs/dbraw/zinc/35/96/59/1013359659.db2.gz FQHMGOJIVWTJSM-WIOPSUGQSA-N 2 1 412.622 3.949 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@@H]3c3ccc(OC)cc3)cc2)CC1 ZINC000015452802 962767130 /nfs/dbraw/zinc/76/71/30/962767130.db2.gz RPQIMWDYMYBFBL-XMMPIXPASA-N 2 1 422.573 3.613 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H]3c3ccc(OC)cc3)cc2)CC1 ZINC000015452802 962767140 /nfs/dbraw/zinc/76/71/40/962767140.db2.gz RPQIMWDYMYBFBL-XMMPIXPASA-N 2 1 422.573 3.613 20 0 HHADMP CCCCO[C@@H]1C[C@H](N(C)C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C1(C)C ZINC000553497010 1013398751 /nfs/dbraw/zinc/39/87/51/1013398751.db2.gz JWGASAKRVAGNDB-FCHUYYIVSA-N 2 1 407.643 3.625 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000537844662 1013407665 /nfs/dbraw/zinc/40/76/65/1013407665.db2.gz BTUQZVSBUUCSJK-UHFFFAOYSA-N 2 1 418.488 3.860 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Cl ZINC000537858796 1013428860 /nfs/dbraw/zinc/42/88/60/1013428860.db2.gz SSGSWLCZCNLSNF-NRFANRHFSA-N 2 1 415.969 3.554 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537875996 1013453096 /nfs/dbraw/zinc/45/30/96/1013453096.db2.gz WSMNDQKITFPGPE-GBXCKJPGSA-N 2 1 421.589 3.508 20 0 HHADMP Cc1cc([C@@H](C)[NH2+][C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c(C)s1 ZINC000542532512 1013476412 /nfs/dbraw/zinc/47/64/12/1013476412.db2.gz OUJHJVIOHXJJJQ-QZTJIDSGSA-N 2 1 415.603 3.553 20 0 HHADMP COc1cc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)ccc1OC(C)C ZINC000025362086 964251313 /nfs/dbraw/zinc/25/13/13/964251313.db2.gz RNYMJVPGNNCFRT-IBGZPJMESA-N 2 1 403.592 3.622 20 0 HHADMP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000050137024 964274299 /nfs/dbraw/zinc/27/42/99/964274299.db2.gz XWMGAHYQMGNGIA-FQEVSTJZSA-N 2 1 400.592 3.521 20 0 HHADMP CCOc1ccc(C[N@H+](C)[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000026188982 964479910 /nfs/dbraw/zinc/47/99/10/964479910.db2.gz RGDKYRAWQWQQIX-HXUWFJFHSA-N 2 1 409.574 3.686 20 0 HHADMP CCOc1ccc(C[N@@H+](C)[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000026188982 964479923 /nfs/dbraw/zinc/47/99/23/964479923.db2.gz RGDKYRAWQWQQIX-HXUWFJFHSA-N 2 1 409.574 3.686 20 0 HHADMP O=C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)NCCc1nc2ccccc2s1 ZINC000052713708 964960510 /nfs/dbraw/zinc/96/05/10/964960510.db2.gz PDSQZMCVDWZATN-UHFFFAOYSA-N 2 1 414.619 3.543 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCC[NH+](Cc4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC000028898742 965210374 /nfs/dbraw/zinc/21/03/74/965210374.db2.gz GFNKNUOMTYMGIO-SZPZYZBQSA-N 2 1 421.585 3.644 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCC[NH+](Cc4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC000028898742 965210392 /nfs/dbraw/zinc/21/03/92/965210392.db2.gz GFNKNUOMTYMGIO-SZPZYZBQSA-N 2 1 421.585 3.644 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCC[N@H+](Cc4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC000028898742 965210402 /nfs/dbraw/zinc/21/04/02/965210402.db2.gz GFNKNUOMTYMGIO-SZPZYZBQSA-N 2 1 421.585 3.644 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC000028898742 965210411 /nfs/dbraw/zinc/21/04/11/965210411.db2.gz GFNKNUOMTYMGIO-SZPZYZBQSA-N 2 1 421.585 3.644 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCC3([NH+](C)C)CCCCCC3)cc2)C[C@H](C)O1 ZINC000028940987 965223209 /nfs/dbraw/zinc/22/32/09/965223209.db2.gz GKMAXZROEYUQOB-BGYRXZFFSA-N 2 1 401.595 3.680 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCC3([NH+](C)C)CCCCCC3)cc2)C[C@H](C)O1 ZINC000028940987 965223218 /nfs/dbraw/zinc/22/32/18/965223218.db2.gz GKMAXZROEYUQOB-BGYRXZFFSA-N 2 1 401.595 3.680 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000537987899 1013562091 /nfs/dbraw/zinc/56/20/91/1013562091.db2.gz RYQJBZAQWHILTH-LQWHRVPQSA-N 2 1 407.624 3.631 20 0 HHADMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2ccc(NC(C)=O)cc2)CC1)CC(C)C ZINC000537995608 1013571111 /nfs/dbraw/zinc/57/11/11/1013571111.db2.gz QJJIWVZPNGQHRZ-UHFFFAOYSA-N 2 1 402.583 3.664 20 0 HHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2ccc(NC(C)=O)cc2)CC1)CC(C)C ZINC000537995608 1013571119 /nfs/dbraw/zinc/57/11/19/1013571119.db2.gz QJJIWVZPNGQHRZ-UHFFFAOYSA-N 2 1 402.583 3.664 20 0 HHADMP COc1ccc([C@@H](NC(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)C2CC2)cc1 ZINC000057889846 965574221 /nfs/dbraw/zinc/57/42/21/965574221.db2.gz GPVHYMMBKXRXIQ-VWLOTQADSA-N 2 1 413.606 3.851 20 0 HHADMP Cc1ccc(-c2cc(C[NH+]3CCC(OCC[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)on2)cc1 ZINC000538044474 1013617046 /nfs/dbraw/zinc/61/70/46/1013617046.db2.gz FURTTWFRORFMEG-BGYRXZFFSA-N 2 1 413.562 3.740 20 0 HHADMP Cc1ccc(-c2cc(C[NH+]3CCC(OCC[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)on2)cc1 ZINC000538044474 1013617048 /nfs/dbraw/zinc/61/70/48/1013617048.db2.gz FURTTWFRORFMEG-BGYRXZFFSA-N 2 1 413.562 3.740 20 0 HHADMP CC(C)[NH+]1CCN(c2ccc(C(=O)N3C[C@@H]4CCC[N@H+]4Cc4ccccc43)cc2)CC1 ZINC000060219984 966078270 /nfs/dbraw/zinc/07/82/70/966078270.db2.gz QFAYVWLZYNVQBC-DEOSSOPVSA-N 2 1 418.585 3.842 20 0 HHADMP O=C([C@H]1CCC[N@H+]1Cc1ccccc1)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000060355297 966106768 /nfs/dbraw/zinc/10/67/68/966106768.db2.gz SHMGUNYNISXTHK-RUZDIDTESA-N 2 1 405.586 3.818 20 0 HHADMP O=C([C@H]1CCC[NH+]1Cc1ccccc1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000060355297 966106771 /nfs/dbraw/zinc/10/67/71/966106771.db2.gz SHMGUNYNISXTHK-RUZDIDTESA-N 2 1 405.586 3.818 20 0 HHADMP O=C([C@H]1CCC[NH+]1Cc1ccccc1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000060355297 966106778 /nfs/dbraw/zinc/10/67/78/966106778.db2.gz SHMGUNYNISXTHK-RUZDIDTESA-N 2 1 405.586 3.818 20 0 HHADMP CCC[N@@H+](C)[C@H](CNC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1 ZINC000553804004 1013627021 /nfs/dbraw/zinc/62/70/21/1013627021.db2.gz FOIWUAJPNQTFHI-OAQYLSRUSA-N 2 1 407.002 3.897 20 0 HHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCc4c3cccc4Br)cc2)CC1 ZINC000538062699 1013639087 /nfs/dbraw/zinc/63/90/87/1013639087.db2.gz UPVOIIYUJYXHGM-QFIPXVFZSA-N 2 1 414.391 3.974 20 0 HHADMP CC(C)(CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000061070861 966364409 /nfs/dbraw/zinc/36/44/09/966364409.db2.gz IAVVIRBFPSJGOM-QFIPXVFZSA-N 2 1 424.589 3.943 20 0 HHADMP C[C@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000061230866 966404409 /nfs/dbraw/zinc/40/44/09/966404409.db2.gz NLIDSSGLFUTYBD-YKSBVNFPSA-N 2 1 406.574 3.570 20 0 HHADMP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000061231503 966404441 /nfs/dbraw/zinc/40/44/41/966404441.db2.gz XFNMDPBWOMOLNT-SFTDATJTSA-N 2 1 412.603 3.849 20 0 HHADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000542840253 1013702089 /nfs/dbraw/zinc/70/20/89/1013702089.db2.gz HXSWXQMHGZXZBF-OAQYLSRUSA-N 2 1 404.558 3.991 20 0 HHADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000542840253 1013702094 /nfs/dbraw/zinc/70/20/94/1013702094.db2.gz HXSWXQMHGZXZBF-OAQYLSRUSA-N 2 1 404.558 3.991 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)Nc3cccc(C[NH+](C)C)c3)cc2)C[C@H](C)O1 ZINC000044277101 967180180 /nfs/dbraw/zinc/18/01/80/967180180.db2.gz KUGVJYXRWCRFEH-KDURUIRLSA-N 2 1 410.562 3.679 20 0 HHADMP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000065274765 967423545 /nfs/dbraw/zinc/42/35/45/967423545.db2.gz BWNNHCJGQPIYFL-QHCPKHFHSA-N 2 1 408.521 3.533 20 0 HHADMP CCOc1cccc([C@@H](C)[NH2+]CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)c1 ZINC000538174683 1013733293 /nfs/dbraw/zinc/73/32/93/1013733293.db2.gz KRFIGDDMKVHPDQ-OAQYLSRUSA-N 2 1 409.574 3.779 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N[C@H](C)Cc2c(F)cccc2F)cc1 ZINC000542887207 1013734930 /nfs/dbraw/zinc/73/49/30/1013734930.db2.gz YCIDWJBDOUPDOB-HZPDHXFCSA-N 2 1 412.484 3.857 20 0 HHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000046346469 967756130 /nfs/dbraw/zinc/75/61/30/967756130.db2.gz HQBOTRKVDGYGSM-OAQYLSRUSA-N 2 1 400.592 3.577 20 0 HHADMP Cc1nc(C[NH+]2CCC(CNC(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC2)oc1C ZINC000554022588 1013759535 /nfs/dbraw/zinc/75/95/35/1013759535.db2.gz FLEHWJZOWMXYQB-UHFFFAOYSA-N 2 1 424.589 3.919 20 0 HHADMP C[NH+](C)CCOc1cccc(CN[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c1 ZINC000538274563 1013813906 /nfs/dbraw/zinc/81/39/06/1013813906.db2.gz BSDCKMPUQDDACK-HSZRJFAPSA-N 2 1 409.574 3.705 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000096627912 969049248 /nfs/dbraw/zinc/04/92/48/969049248.db2.gz NVKHLMXAAPLNFE-QFIPXVFZSA-N 2 1 406.574 3.679 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000108818476 969422683 /nfs/dbraw/zinc/42/26/83/969422683.db2.gz ZLPNFHGHIURIAI-NCYKPQTJSA-N 2 1 415.622 3.782 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000108818476 969422688 /nfs/dbraw/zinc/42/26/88/969422688.db2.gz ZLPNFHGHIURIAI-NCYKPQTJSA-N 2 1 415.622 3.782 20 0 HHADMP COc1cccc([C@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)c1 ZINC000108929492 969435736 /nfs/dbraw/zinc/43/57/36/969435736.db2.gz XNIAVVMXOARWJA-ZCYQVOJMSA-N 2 1 421.585 3.861 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)cc1)C(C)C ZINC000110121508 969625840 /nfs/dbraw/zinc/62/58/40/969625840.db2.gz CNTXTUCZNGNFMR-UHFFFAOYSA-N 2 1 408.590 3.917 20 0 HHADMP CC1CC[NH+](CCCNC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000110174590 969632833 /nfs/dbraw/zinc/63/28/33/969632833.db2.gz BJPTYQQRZHHCBN-OAQYLSRUSA-N 2 1 411.512 3.679 20 0 HHADMP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000110233355 969641027 /nfs/dbraw/zinc/64/10/27/969641027.db2.gz NQEHSZOUOBLPNZ-VQTJNVASSA-N 2 1 401.595 3.961 20 0 HHADMP COc1ccc(Br)cc1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000110427299 969666793 /nfs/dbraw/zinc/66/67/93/969666793.db2.gz GDVZMELZCHNCJD-HOTGVXAUSA-N 2 1 411.384 3.779 20 0 HHADMP C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1O2 ZINC000195702060 969967791 /nfs/dbraw/zinc/96/77/91/969967791.db2.gz HKTFANUMOZTRRK-GOTSBHOMSA-N 2 1 419.569 3.755 20 0 HHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000237074503 970217898 /nfs/dbraw/zinc/21/78/98/970217898.db2.gz KYPLIGVMUFOZJC-UHFFFAOYSA-N 2 1 417.601 3.965 20 0 HHADMP CCC[N@H+]1CC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000144274059 970226932 /nfs/dbraw/zinc/22/69/32/970226932.db2.gz CXLHVEAEIWXZIZ-SFHVURJKSA-N 2 1 414.516 3.511 20 0 HHADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000237147246 970231930 /nfs/dbraw/zinc/23/19/30/970231930.db2.gz FEAFPTHQNAIFMX-AWEZNQCLSA-N 2 1 413.909 3.745 20 0 HHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000237163908 970233420 /nfs/dbraw/zinc/23/34/20/970233420.db2.gz VEEHNZGBWBIKIB-UHFFFAOYSA-N 2 1 418.029 3.565 20 0 HHADMP COC(=O)COc1c(C)cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1C ZINC000237187484 970238049 /nfs/dbraw/zinc/23/80/49/970238049.db2.gz XAYAEQOXBCKHGF-NZQKXSOJSA-N 2 1 410.558 3.998 20 0 HHADMP COc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c2ccccc12 ZINC000237255904 970249406 /nfs/dbraw/zinc/24/94/06/970249406.db2.gz ZEGORRQVILNCBH-JOCHJYFZSA-N 2 1 417.553 3.836 20 0 HHADMP COc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000237377637 970273547 /nfs/dbraw/zinc/27/35/47/970273547.db2.gz SUVPUNQSQVDETC-KDURUIRLSA-N 2 1 420.557 3.984 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2cc1C ZINC000554540720 1013974031 /nfs/dbraw/zinc/97/40/31/1013974031.db2.gz FMGXGZHMWJYQCE-YMPZKCBVSA-N 2 1 406.574 3.514 20 0 HHADMP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237608923 970322358 /nfs/dbraw/zinc/32/23/58/970322358.db2.gz VYDHIETWLMNESR-HDICACEKSA-N 2 1 404.986 3.872 20 0 HHADMP COc1cc(C)c(C[C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1OC ZINC000554560227 1013977913 /nfs/dbraw/zinc/97/79/13/1013977913.db2.gz CQTUFORZZXWGKN-ICSRJNTNSA-N 2 1 417.619 3.583 20 0 HHADMP Clc1ccc([C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)N2CCOCC2)cc1 ZINC000237751081 970353881 /nfs/dbraw/zinc/35/38/81/970353881.db2.gz WDMNIRXRFNXIHQ-DEOSSOPVSA-N 2 1 413.993 3.968 20 0 HHADMP CC[NH+]1CCC(CNC(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000554583011 1013982542 /nfs/dbraw/zinc/98/25/42/1013982542.db2.gz PTOIVJGDOPUFLM-BGYRXZFFSA-N 2 1 400.611 3.696 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000148965835 970377595 /nfs/dbraw/zinc/37/75/95/970377595.db2.gz ONOOXGWTPMJDFK-LAUBAEHRSA-N 2 1 418.582 3.701 20 0 HHADMP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cccc(Cl)c3Cl)c2)C1 ZINC000237916781 970394596 /nfs/dbraw/zinc/39/45/96/970394596.db2.gz CXCSIMVOSJQJPR-GOSISDBHSA-N 2 1 406.357 3.981 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(Cl)c3Cl)c2)C1 ZINC000237916781 970394619 /nfs/dbraw/zinc/39/46/19/970394619.db2.gz CXCSIMVOSJQJPR-GOSISDBHSA-N 2 1 406.357 3.981 20 0 HHADMP OC1CC[NH+](CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000238159084 970452745 /nfs/dbraw/zinc/45/27/45/970452745.db2.gz WXFJPVLEXDZISW-UHFFFAOYSA-N 2 1 408.521 3.615 20 0 HHADMP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000195606778 970548925 /nfs/dbraw/zinc/54/89/25/970548925.db2.gz WAANTTQRXPERKN-ZEQRLZLVSA-N 2 1 406.574 3.787 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000252166281 970554929 /nfs/dbraw/zinc/55/49/29/970554929.db2.gz QMXLEQNZNWBPTF-FUPPJEDESA-N 2 1 400.611 3.881 20 0 HHADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390561774 972825316 /nfs/dbraw/zinc/82/53/16/972825316.db2.gz ACKPTEOSJSXITQ-YADHBBJMSA-N 2 1 419.610 3.664 20 0 HHADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390561774 972825325 /nfs/dbraw/zinc/82/53/25/972825325.db2.gz ACKPTEOSJSXITQ-YADHBBJMSA-N 2 1 419.610 3.664 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410310137 973851241 /nfs/dbraw/zinc/85/12/41/973851241.db2.gz HQRQBPZLOSACFY-OAQYLSRUSA-N 2 1 400.611 3.647 20 0 HHADMP O=C(NC1CC[NH+](CCc2ccccc2)CC1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000410310292 973852814 /nfs/dbraw/zinc/85/28/14/973852814.db2.gz IOJPIYDKUDDKMH-RUZDIDTESA-N 2 1 420.601 3.657 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000410341333 973925975 /nfs/dbraw/zinc/92/59/75/973925975.db2.gz VSNGNCSBFQAVMF-HXUWFJFHSA-N 2 1 400.611 3.981 20 0 HHADMP CC[N@@H+](CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)CCC(F)(F)F ZINC000425977049 974086268 /nfs/dbraw/zinc/08/62/68/974086268.db2.gz JBPAXGJYWPKHMD-PKOBYXMFSA-N 2 1 414.516 3.613 20 0 HHADMP CC[NH+](CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)CCC(F)(F)F ZINC000425977049 974086278 /nfs/dbraw/zinc/08/62/78/974086278.db2.gz JBPAXGJYWPKHMD-PKOBYXMFSA-N 2 1 414.516 3.613 20 0 HHADMP CC[NH+](CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)CCC(F)(F)F ZINC000425977049 974086284 /nfs/dbraw/zinc/08/62/84/974086284.db2.gz JBPAXGJYWPKHMD-PKOBYXMFSA-N 2 1 414.516 3.613 20 0 HHADMP CN(c1ccccc1C[N@H+]1CCC[C@H](Oc2ncccc2F)C1)C1CC[NH+](C)CC1 ZINC000425978606 974087737 /nfs/dbraw/zinc/08/77/37/974087737.db2.gz IAHKSTZONHCTCK-NRFANRHFSA-N 2 1 412.553 3.795 20 0 HHADMP CN(c1ccccc1C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1)C1CC[NH+](C)CC1 ZINC000425978607 974088496 /nfs/dbraw/zinc/08/84/96/974088496.db2.gz IAHKSTZONHCTCK-OAQYLSRUSA-N 2 1 412.553 3.795 20 0 HHADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc(N2CCCC2)n1 ZINC000426285429 974371548 /nfs/dbraw/zinc/37/15/48/974371548.db2.gz BDEYYXKGLRZYCM-YFNKSVMNSA-N 2 1 405.590 3.776 20 0 HHADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc(N2CCCC2)n1 ZINC000426285429 974371555 /nfs/dbraw/zinc/37/15/55/974371555.db2.gz BDEYYXKGLRZYCM-YFNKSVMNSA-N 2 1 405.590 3.776 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCC(=O)Nc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000426802840 974672237 /nfs/dbraw/zinc/67/22/37/974672237.db2.gz YDJSHRGFCKJGST-HDICACEKSA-N 2 1 407.986 3.880 20 0 HHADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3nc(-c4ccc(F)cc4)no3)CC2)C[C@H](C)O1 ZINC000426836893 974700884 /nfs/dbraw/zinc/70/08/84/974700884.db2.gz WTGSXTRNZDYPFU-IRXDYDNUSA-N 2 1 402.514 3.587 20 0 HHADMP Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)C2)cn1 ZINC000428243763 975559502 /nfs/dbraw/zinc/55/95/02/975559502.db2.gz UPEIXSMZLXRGCV-OPBMBUAESA-N 2 1 407.606 3.669 20 0 HHADMP OC[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(Br)cc1 ZINC000428536531 975834765 /nfs/dbraw/zinc/83/47/65/975834765.db2.gz MXTLEVKYPRBTFQ-HXUWFJFHSA-N 2 1 417.391 3.854 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000428648654 975950158 /nfs/dbraw/zinc/95/01/58/975950158.db2.gz DBMVBCUPXKYYCY-JTHBVZDNSA-N 2 1 400.611 3.851 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(C(F)(F)F)s3)c2)C1 ZINC000428880607 976171671 /nfs/dbraw/zinc/17/16/71/976171671.db2.gz LFSBEMGARXESJU-MRXNPFEDSA-N 2 1 411.493 3.754 20 0 HHADMP Cc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000428900509 976202441 /nfs/dbraw/zinc/20/24/41/976202441.db2.gz HVNCBYOTCPNANS-UNMCSNQZSA-N 2 1 424.589 3.968 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000428905038 976206853 /nfs/dbraw/zinc/20/68/53/976206853.db2.gz IEYSOOQMOTYZRR-UHFFFAOYSA-N 2 1 410.562 3.585 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000428905038 976206870 /nfs/dbraw/zinc/20/68/70/976206870.db2.gz IEYSOOQMOTYZRR-UHFFFAOYSA-N 2 1 410.562 3.585 20 0 HHADMP C[C@H]1C[NH+](CCC2CCN(C(=O)NCCC[N@@H+](C)C3CCCCC3)CC2)C[C@H](C)O1 ZINC000428933766 976233858 /nfs/dbraw/zinc/23/38/58/976233858.db2.gz VFCMUJAACUYTTP-SFTDATJTSA-N 2 1 422.658 3.562 20 0 HHADMP CSC[C@@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000429293880 976573226 /nfs/dbraw/zinc/57/32/26/976573226.db2.gz MLRGKETVOBTBLJ-XLIONFOSSA-N 2 1 410.027 3.668 20 0 HHADMP CSC[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000429293880 976573233 /nfs/dbraw/zinc/57/32/33/976573233.db2.gz MLRGKETVOBTBLJ-XLIONFOSSA-N 2 1 410.027 3.668 20 0 HHADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000429501192 976757389 /nfs/dbraw/zinc/75/73/89/976757389.db2.gz HPDLNLBBPBVNTG-QHCPKHFHSA-N 2 1 412.622 3.729 20 0 HHADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000429555909 976823977 /nfs/dbraw/zinc/82/39/77/976823977.db2.gz NUUZUQJTDSCQNV-DHIUTWEWSA-N 2 1 418.528 3.848 20 0 HHADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000429555914 976824240 /nfs/dbraw/zinc/82/42/40/976824240.db2.gz NUUZUQJTDSCQNV-XZOQPEGZSA-N 2 1 418.528 3.848 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@]1(C)CCCc2ccccc21 ZINC000430665748 977677515 /nfs/dbraw/zinc/67/75/15/977677515.db2.gz BILPSHRWGHTDBV-SANMLTNESA-N 2 1 411.634 3.935 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Cc1coc2cc(F)ccc12 ZINC000430673511 977684752 /nfs/dbraw/zinc/68/47/52/977684752.db2.gz DEVUBTVOJGOCLI-UHFFFAOYSA-N 2 1 415.553 3.769 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(OCC2CC2)cc1 ZINC000430677186 977687947 /nfs/dbraw/zinc/68/79/47/977687947.db2.gz FTASGHOXRZTQDT-UHFFFAOYSA-N 2 1 413.606 3.744 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Cc1c(F)cccc1Cl ZINC000430679938 977689611 /nfs/dbraw/zinc/68/96/11/977689611.db2.gz NTDZJNNQIGVWPX-UHFFFAOYSA-N 2 1 409.977 3.676 20 0 HHADMP Cc1cc(C)cc(C2(C(=O)N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)CC2)c1 ZINC000430686748 977695076 /nfs/dbraw/zinc/69/50/76/977695076.db2.gz WCIJTLGQHXVVQK-UHFFFAOYSA-N 2 1 411.634 3.990 20 0 HHADMP CCn1c2ccc(F)cc2nc1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430916130 977884215 /nfs/dbraw/zinc/88/42/15/977884215.db2.gz UDVXOHDUVFNUFR-UHFFFAOYSA-N 2 1 415.601 3.823 20 0 HHADMP C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430933976 977898312 /nfs/dbraw/zinc/89/83/12/977898312.db2.gz KKBLEBPPQFGQJN-SFHVURJKSA-N 2 1 421.029 3.795 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1ccc2ncsc2c1 ZINC000431071633 978002940 /nfs/dbraw/zinc/00/29/40/978002940.db2.gz PTCIZHBROPGBEL-UHFFFAOYSA-N 2 1 415.607 3.956 20 0 HHADMP CCOc1cc(F)ccc1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431072797 978004278 /nfs/dbraw/zinc/00/42/78/978004278.db2.gz UBSPOBBUTSLWGW-UHFFFAOYSA-N 2 1 420.573 3.884 20 0 HHADMP Cc1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000431150612 978051894 /nfs/dbraw/zinc/05/18/94/978051894.db2.gz GRCPKJSSPAJKRK-FPOVZHCZSA-N 2 1 424.593 3.633 20 0 HHADMP Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000431150616 978052697 /nfs/dbraw/zinc/05/26/97/978052697.db2.gz GRCPKJSSPAJKRK-TZIWHRDSSA-N 2 1 424.593 3.633 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000431219933 978100341 /nfs/dbraw/zinc/10/03/41/978100341.db2.gz YZEUTQGOIGQJFH-UHFFFAOYSA-N 2 1 424.593 3.532 20 0 HHADMP C[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000431675845 978429148 /nfs/dbraw/zinc/42/91/48/978429148.db2.gz JPTKZWFIKIQRSR-XUZZJYLKSA-N 2 1 406.574 3.567 20 0 HHADMP C[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000431675845 978429152 /nfs/dbraw/zinc/42/91/52/978429152.db2.gz JPTKZWFIKIQRSR-XUZZJYLKSA-N 2 1 406.574 3.567 20 0 HHADMP COc1cccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[NH+](C)C)c1 ZINC000431677031 978429746 /nfs/dbraw/zinc/42/97/46/978429746.db2.gz TVRKKCOPPRHJMX-KWOQKUFVSA-N 2 1 424.589 3.650 20 0 HHADMP CCS[C@@H]1CCCC[C@@H]1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431687968 978435983 /nfs/dbraw/zinc/43/59/83/978435983.db2.gz RUDMWVLGNJUPNW-FCHUYYIVSA-N 2 1 424.699 3.888 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000431688854 978436699 /nfs/dbraw/zinc/43/66/99/978436699.db2.gz FIWMEYUQANMPDW-QDSKXPNFSA-N 2 1 406.574 3.738 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000431688854 978436703 /nfs/dbraw/zinc/43/67/03/978436703.db2.gz FIWMEYUQANMPDW-QDSKXPNFSA-N 2 1 406.574 3.738 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000431688854 978436705 /nfs/dbraw/zinc/43/67/05/978436705.db2.gz FIWMEYUQANMPDW-QDSKXPNFSA-N 2 1 406.574 3.738 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000431688854 978436706 /nfs/dbraw/zinc/43/67/06/978436706.db2.gz FIWMEYUQANMPDW-QDSKXPNFSA-N 2 1 406.574 3.738 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000431699930 978444387 /nfs/dbraw/zinc/44/43/87/978444387.db2.gz SXTDTZPFAJKYJG-NZQKXSOJSA-N 2 1 400.611 3.803 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cnc2cc(F)c(F)cc2n1 ZINC000431842957 978548070 /nfs/dbraw/zinc/54/80/70/978548070.db2.gz JDEFFXOJCRFNEQ-UHFFFAOYSA-N 2 1 403.521 3.541 20 0 HHADMP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)CC2)C[C@@H](C)O1 ZINC000431854703 978553829 /nfs/dbraw/zinc/55/38/29/978553829.db2.gz PNHLMOJJVBMSQL-TXTKFYIRSA-N 2 1 405.627 3.521 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCc1cccc(Cl)c1 ZINC000431872013 978565885 /nfs/dbraw/zinc/56/58/85/978565885.db2.gz XYNMWURCSSPALI-UHFFFAOYSA-N 2 1 407.002 3.678 20 0 HHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000432366139 978780213 /nfs/dbraw/zinc/78/02/13/978780213.db2.gz BZKDEAKNGVMIKS-IBGZPJMESA-N 2 1 414.594 3.904 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)CC2(c3ccccc3)CC2)CC1 ZINC000432790549 978975315 /nfs/dbraw/zinc/97/53/15/978975315.db2.gz CMPNJGQNKGCQPW-UHFFFAOYSA-N 2 1 405.586 3.739 20 0 HHADMP CC[C@]1(CO)CCC[NH+](Cc2cc(C[N@@H+]3CCC[C@](CC)(CO)C3)cc(OC)c2)C1 ZINC000432792089 978975576 /nfs/dbraw/zinc/97/55/76/978975576.db2.gz IOTQZQONHMPDTR-DQEYMECFSA-N 2 1 418.622 3.664 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](CCC(F)(F)F)CC2CC2)CC1 ZINC000432822461 978985402 /nfs/dbraw/zinc/98/54/02/978985402.db2.gz MGBIWPKZDGVGSJ-UHFFFAOYSA-N 2 1 411.512 3.740 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](CCC(F)(F)F)CC2CC2)CC1 ZINC000432822461 978985403 /nfs/dbraw/zinc/98/54/03/978985403.db2.gz MGBIWPKZDGVGSJ-UHFFFAOYSA-N 2 1 411.512 3.740 20 0 HHADMP COc1cc(C[NH+](C)[C@H](C)c2cnn(C)c2)cc(C[N@@H+](C)[C@H](C)c2cnn(C)c2)c1 ZINC000432855813 978993379 /nfs/dbraw/zinc/99/33/79/978993379.db2.gz TVIFSMSULSFFOY-QZTJIDSGSA-N 2 1 410.566 3.548 20 0 HHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cc1 ZINC000433113480 979079713 /nfs/dbraw/zinc/07/97/13/979079713.db2.gz CKCFQGGVBUJSSY-LJQANCHMSA-N 2 1 402.583 3.745 20 0 HHADMP CC[N@@H+](CCC1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1)CC(C)C ZINC000433870873 979639137 /nfs/dbraw/zinc/63/91/37/979639137.db2.gz SVFHGJLZOZEGHC-UHFFFAOYSA-N 2 1 409.640 3.517 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCC[NH+]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000433916927 979678339 /nfs/dbraw/zinc/67/83/39/979678339.db2.gz BUZXBLUSUDDOFT-HGHGUNKESA-N 2 1 422.976 3.788 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000433916927 979678346 /nfs/dbraw/zinc/67/83/46/979678346.db2.gz BUZXBLUSUDDOFT-HGHGUNKESA-N 2 1 422.976 3.788 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000433916927 979678355 /nfs/dbraw/zinc/67/83/55/979678355.db2.gz BUZXBLUSUDDOFT-HGHGUNKESA-N 2 1 422.976 3.788 20 0 HHADMP Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000434357546 980113159 /nfs/dbraw/zinc/11/31/59/980113159.db2.gz CCPFLPYXDMVKDE-HSZRJFAPSA-N 2 1 417.557 3.952 20 0 HHADMP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000434449239 980188671 /nfs/dbraw/zinc/18/86/71/980188671.db2.gz WOOWLAYYNVOHOL-PZJWPPBQSA-N 2 1 409.496 3.574 20 0 HHADMP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000434449239 980188673 /nfs/dbraw/zinc/18/86/73/980188673.db2.gz WOOWLAYYNVOHOL-PZJWPPBQSA-N 2 1 409.496 3.574 20 0 HHADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000434449239 980188676 /nfs/dbraw/zinc/18/86/76/980188676.db2.gz WOOWLAYYNVOHOL-PZJWPPBQSA-N 2 1 409.496 3.574 20 0 HHADMP Cc1cc(NC(=O)NCCC[NH+]2CCCCC2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435520935 980916968 /nfs/dbraw/zinc/91/69/68/980916968.db2.gz UJVPOFRPNJTTKC-QFIPXVFZSA-N 2 1 424.593 3.636 20 0 HHADMP Cc1cc(NC(=O)NC2CC[NH+](C(C)C)CC2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435527168 980920793 /nfs/dbraw/zinc/92/07/93/980920793.db2.gz KUKNVGGZCLIQJV-JOCHJYFZSA-N 2 1 424.593 3.633 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000436660380 981497078 /nfs/dbraw/zinc/49/70/78/981497078.db2.gz SONQHCNXJQKDPE-DENIHFKCSA-N 2 1 407.558 3.640 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3O)CC2)CC[N@H+]1Cc1ccccc1 ZINC000436660380 981497081 /nfs/dbraw/zinc/49/70/81/981497081.db2.gz SONQHCNXJQKDPE-DENIHFKCSA-N 2 1 407.558 3.640 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000448205423 981617321 /nfs/dbraw/zinc/61/73/21/981617321.db2.gz PSUNDELAMMHPJY-LEWJYISDSA-N 2 1 400.611 3.879 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000448205425 981617406 /nfs/dbraw/zinc/61/74/06/981617406.db2.gz PSUNDELAMMHPJY-RTWAWAEBSA-N 2 1 400.611 3.879 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccsc1 ZINC000448218261 981632906 /nfs/dbraw/zinc/63/29/06/981632906.db2.gz UFWQRWWQCNXZIV-IOMROCGXSA-N 2 1 404.624 3.789 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc([C@@H](C)N3CCOCC3)c2)C1 ZINC000448369639 981728779 /nfs/dbraw/zinc/72/87/79/981728779.db2.gz APLMSQIIOZJWSA-WOJBJXKFSA-N 2 1 402.583 3.569 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc([C@@H](C)N3CCOCC3)c2)C1 ZINC000448369637 981728998 /nfs/dbraw/zinc/72/89/98/981728998.db2.gz APLMSQIIOZJWSA-UXHICEINSA-N 2 1 402.583 3.569 20 0 HHADMP Cn1cc[nH+]c1CC1CCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000448411313 981763585 /nfs/dbraw/zinc/76/35/85/981763585.db2.gz UPIVWJIYUYGSFV-UHFFFAOYSA-N 2 1 409.578 3.935 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)[C@H](C)C1 ZINC000448466732 981802178 /nfs/dbraw/zinc/80/21/78/981802178.db2.gz NTKUXFXDHBRYCJ-VIZSFHNOSA-N 2 1 400.611 3.933 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)[C@H](C)C1 ZINC000448466732 981802193 /nfs/dbraw/zinc/80/21/93/981802193.db2.gz NTKUXFXDHBRYCJ-VIZSFHNOSA-N 2 1 400.611 3.933 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)[C@H](C)C1 ZINC000448466732 981802212 /nfs/dbraw/zinc/80/22/12/981802212.db2.gz NTKUXFXDHBRYCJ-VIZSFHNOSA-N 2 1 400.611 3.933 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000448467825 981804363 /nfs/dbraw/zinc/80/43/63/981804363.db2.gz RRYWRGSSIYFOQN-PUHATCMVSA-N 2 1 400.611 3.831 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccsc1 ZINC000460173772 981946191 /nfs/dbraw/zinc/94/61/91/981946191.db2.gz ZRWXQHOUCIPFSL-BAGYTPMASA-N 2 1 412.603 3.514 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000460254890 982031774 /nfs/dbraw/zinc/03/17/74/982031774.db2.gz WKSVVEVPIIYJNP-HNNXBMFYSA-N 2 1 418.916 3.821 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000460363815 982139360 /nfs/dbraw/zinc/13/93/60/982139360.db2.gz JOBZLNUPWKRGET-IAGOWNOFSA-N 2 1 410.949 3.594 20 0 HHADMP C[C@@H](C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000438090119 982582339 /nfs/dbraw/zinc/58/23/39/982582339.db2.gz AOZSYAQGOFJBKM-FQEVSTJZSA-N 2 1 411.565 3.889 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000438270172 982691568 /nfs/dbraw/zinc/69/15/68/982691568.db2.gz KUYOKVSSKOSRCV-HSZRJFAPSA-N 2 1 415.626 3.947 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000438386850 982758781 /nfs/dbraw/zinc/75/87/81/982758781.db2.gz JWHAKQLAVGISFP-GOSISDBHSA-N 2 1 400.489 3.671 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C(F)(F)F)c(C)c1 ZINC000438542821 982880919 /nfs/dbraw/zinc/88/09/19/982880919.db2.gz VYLIOLGGDKAJDZ-QGZVFWFLSA-N 2 1 400.489 3.894 20 0 HHADMP C[C@H](c1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccs2)cc1)[NH+]1CCOCC1 ZINC000438642558 982961488 /nfs/dbraw/zinc/96/14/88/982961488.db2.gz AIVULSOOTGGKCW-GOSISDBHSA-N 2 1 416.591 3.737 20 0 HHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2C[C@H](O)CN2Cc2ccccc2)CC1 ZINC000438833574 983103703 /nfs/dbraw/zinc/10/37/03/983103703.db2.gz XUHBPXZAJVLESD-SJTCKAEWSA-N 2 1 407.602 3.655 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000438846456 983113738 /nfs/dbraw/zinc/11/37/38/983113738.db2.gz BEIOSSBPCCDUMX-QHAWAJNXSA-N 2 1 415.626 3.664 20 0 HHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000438864270 983129729 /nfs/dbraw/zinc/12/97/29/983129729.db2.gz JOCLGXNKGOIQAE-SIKLNZKXSA-N 2 1 401.599 3.561 20 0 HHADMP CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000438971508 983186776 /nfs/dbraw/zinc/18/67/76/983186776.db2.gz GXOXHFPZXNIYPK-XXBNENTESA-N 2 1 415.626 3.505 20 0 HHADMP CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000438971508 983186780 /nfs/dbraw/zinc/18/67/80/983186780.db2.gz GXOXHFPZXNIYPK-XXBNENTESA-N 2 1 415.626 3.505 20 0 HHADMP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000438971507 983186884 /nfs/dbraw/zinc/18/68/84/983186884.db2.gz GXOXHFPZXNIYPK-WMZHIEFXSA-N 2 1 415.626 3.505 20 0 HHADMP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000438971507 983186894 /nfs/dbraw/zinc/18/68/94/983186894.db2.gz GXOXHFPZXNIYPK-WMZHIEFXSA-N 2 1 415.626 3.505 20 0 HHADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000439144991 983271613 /nfs/dbraw/zinc/27/16/13/983271613.db2.gz WMKKEVSCCMBULB-GOSISDBHSA-N 2 1 400.430 3.825 20 0 HHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000439180233 983295329 /nfs/dbraw/zinc/29/53/29/983295329.db2.gz RMXAPMHOJKHHBN-QHAWAJNXSA-N 2 1 404.986 3.745 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000439199942 983307317 /nfs/dbraw/zinc/30/73/17/983307317.db2.gz PLKORUSQYKXKAN-LEWJYISDSA-N 2 1 421.589 3.523 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000439199942 983307321 /nfs/dbraw/zinc/30/73/21/983307321.db2.gz PLKORUSQYKXKAN-LEWJYISDSA-N 2 1 421.589 3.523 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000440818803 983920338 /nfs/dbraw/zinc/92/03/38/983920338.db2.gz VBOQPXVXOMASPD-UDTLNKQYSA-N 2 1 400.611 3.838 20 0 HHADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000441243496 984134320 /nfs/dbraw/zinc/13/43/20/984134320.db2.gz JDMHNVMGTAFCMG-VFNWGFHPSA-N 2 1 409.496 3.831 20 0 HHADMP C[N@H+]1CCN(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1(C)C ZINC000441349744 984201270 /nfs/dbraw/zinc/20/12/70/984201270.db2.gz SZIAJNJPSGQFFK-UHFFFAOYSA-N 2 1 409.603 3.716 20 0 HHADMP C[N@H+]1CCN(CC[NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1(C)C ZINC000441353130 984202964 /nfs/dbraw/zinc/20/29/64/984202964.db2.gz GIQBMNSOARGWDE-UHFFFAOYSA-N 2 1 412.525 3.945 20 0 HHADMP C[NH+](C)CC1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000441519731 984299981 /nfs/dbraw/zinc/29/99/81/984299981.db2.gz BCCVQMOPMSMUTO-UGAUIIJPSA-N 2 1 412.622 3.803 20 0 HHADMP C[N@@H+](C[C@H](O)COCc1ccccc1Cl)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000441612790 984355505 /nfs/dbraw/zinc/35/55/05/984355505.db2.gz PCPMGQAPLUOHON-UNMCSNQZSA-N 2 1 402.966 3.671 20 0 HHADMP C[NH+](C[C@H](O)COCc1ccccc1Cl)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000441612790 984355507 /nfs/dbraw/zinc/35/55/07/984355507.db2.gz PCPMGQAPLUOHON-UNMCSNQZSA-N 2 1 402.966 3.671 20 0 HHADMP C[NH+](C[C@H](O)COCc1ccccc1Cl)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000441612790 984355511 /nfs/dbraw/zinc/35/55/11/984355511.db2.gz PCPMGQAPLUOHON-UNMCSNQZSA-N 2 1 402.966 3.671 20 0 HHADMP O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)c1cc(C[NH+]2CCCC2)on1 ZINC000462059976 985033565 /nfs/dbraw/zinc/03/35/65/985033565.db2.gz QQJBXFQBCFURIE-UHFFFAOYSA-N 2 1 424.589 3.735 20 0 HHADMP C[C@@H](NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C(C)(C)C[NH+](C)C ZINC000443234619 985455816 /nfs/dbraw/zinc/45/58/16/985455816.db2.gz APJCULLSCFALCU-YKSBVNFPSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C(=O)CC1([NH+]2CCOCC2)CCCC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000467980529 985625351 /nfs/dbraw/zinc/62/53/51/985625351.db2.gz ZCIXFDIJGGGPMO-GMAHTHKFSA-N 2 1 413.606 3.706 20 0 HHADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000462748611 985689885 /nfs/dbraw/zinc/68/98/85/985689885.db2.gz DQHHADQFIUWBCA-RPWUZVMVSA-N 2 1 412.622 3.949 20 0 HHADMP C[NH+](C)CCN(C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000462751021 985692109 /nfs/dbraw/zinc/69/21/09/985692109.db2.gz STFNPJPPSPSYMV-JOCHJYFZSA-N 2 1 400.611 3.805 20 0 HHADMP CCCc1cc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)c2ccccc2[nH+]1 ZINC000443673336 985880161 /nfs/dbraw/zinc/88/01/61/985880161.db2.gz IOPKDYBTDLBOMO-UHFFFAOYSA-N 2 1 408.590 3.958 20 0 HHADMP C[C@H]1C[N@H+](C)C[C@@H]1c1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000463058463 986016064 /nfs/dbraw/zinc/01/60/64/986016064.db2.gz UZGPACHFFCRSAZ-MBSDFSHPSA-N 2 1 418.541 3.901 20 0 HHADMP C[C@H]1C[N@@H+](C)C[C@@H]1c1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000463058463 986016075 /nfs/dbraw/zinc/01/60/75/986016075.db2.gz UZGPACHFFCRSAZ-MBSDFSHPSA-N 2 1 418.541 3.901 20 0 HHADMP Cc1ccc(C(=O)N2CCC([NH2+]C3CC[NH+](CCc4ccccc4)CC3)CC2)cc1 ZINC000463113585 986076520 /nfs/dbraw/zinc/07/65/20/986076520.db2.gz ZGPQYTTZXSPYCB-UHFFFAOYSA-N 2 1 405.586 3.896 20 0 HHADMP Fc1ccc(CC[NH+]2CCC(NC[C@@H]3CC[N@@H+](CCc4ccccc4)C3)CC2)cc1 ZINC000463114468 986077438 /nfs/dbraw/zinc/07/74/38/986077438.db2.gz HNBJOVCRYQWGPV-DEOSSOPVSA-N 2 1 409.593 3.987 20 0 HHADMP Fc1ccc(CCN2CCC([NH2+]C[C@@H]3CC[N@H+](CCc4ccccc4)C3)CC2)cc1 ZINC000463114468 986077452 /nfs/dbraw/zinc/07/74/52/986077452.db2.gz HNBJOVCRYQWGPV-DEOSSOPVSA-N 2 1 409.593 3.987 20 0 HHADMP Fc1ccc(CCN2CCC([NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)CC2)cc1 ZINC000463114468 986077462 /nfs/dbraw/zinc/07/74/62/986077462.db2.gz HNBJOVCRYQWGPV-DEOSSOPVSA-N 2 1 409.593 3.987 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000463123555 986087737 /nfs/dbraw/zinc/08/77/37/986087737.db2.gz KCFGBCIMJOIXGM-GBXCKJPGSA-N 2 1 405.602 3.559 20 0 HHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000463123555 986087746 /nfs/dbraw/zinc/08/77/46/986087746.db2.gz KCFGBCIMJOIXGM-GBXCKJPGSA-N 2 1 405.602 3.559 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000463123555 986087763 /nfs/dbraw/zinc/08/77/63/986087763.db2.gz KCFGBCIMJOIXGM-GBXCKJPGSA-N 2 1 405.602 3.559 20 0 HHADMP O=C(c1ccccc1F)N1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000463132133 986097772 /nfs/dbraw/zinc/09/77/72/986097772.db2.gz NCRMXHCCSLFIEP-UHFFFAOYSA-N 2 1 409.549 3.727 20 0 HHADMP C[C@H]1C[C@@H]([NH2+]CCCN2CCN(c3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463140443 986109348 /nfs/dbraw/zinc/10/93/48/986109348.db2.gz VVPYSQMRGSFDRZ-ZCYQVOJMSA-N 2 1 406.618 3.841 20 0 HHADMP C[C@H]1C[C@@H]([NH2+]CCCN2CCN(c3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463140443 986109352 /nfs/dbraw/zinc/10/93/52/986109352.db2.gz VVPYSQMRGSFDRZ-ZCYQVOJMSA-N 2 1 406.618 3.841 20 0 HHADMP C[C@H]1C[C@H]([NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463142303 986111293 /nfs/dbraw/zinc/11/12/93/986111293.db2.gz PUHLOLUJQDJAKF-SQJMNOBHSA-N 2 1 420.601 3.732 20 0 HHADMP C[C@H]1C[C@H]([NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463142303 986111294 /nfs/dbraw/zinc/11/12/94/986111294.db2.gz PUHLOLUJQDJAKF-SQJMNOBHSA-N 2 1 420.601 3.732 20 0 HHADMP CCN(CCC[NH+](C)C)C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000468449304 986144576 /nfs/dbraw/zinc/14/45/76/986144576.db2.gz UJEPFDQFFJZMKN-NRFANRHFSA-N 2 1 414.619 3.831 20 0 HHADMP CCN(CCC[NH+](C)C)C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000468449304 986144582 /nfs/dbraw/zinc/14/45/82/986144582.db2.gz UJEPFDQFFJZMKN-NRFANRHFSA-N 2 1 414.619 3.831 20 0 HHADMP O=C1[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCN1CCCc1ccccc1 ZINC000463193246 986165756 /nfs/dbraw/zinc/16/57/56/986165756.db2.gz QTTUFIFSPRMREE-RUZDIDTESA-N 2 1 405.586 3.517 20 0 HHADMP C[C@@H]1C[C@H](NC[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000463244828 986212685 /nfs/dbraw/zinc/21/26/85/986212685.db2.gz YZRHPLGTLMCMEI-RCXJIHSJSA-N 2 1 407.602 3.920 20 0 HHADMP C[C@@H]1C[C@H](NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC[NH+]1Cc1ccccc1 ZINC000463244828 986212694 /nfs/dbraw/zinc/21/26/94/986212694.db2.gz YZRHPLGTLMCMEI-RCXJIHSJSA-N 2 1 407.602 3.920 20 0 HHADMP C[C@@H]1C[C@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC[NH+]1Cc1ccccc1 ZINC000463244828 986212697 /nfs/dbraw/zinc/21/26/97/986212697.db2.gz YZRHPLGTLMCMEI-RCXJIHSJSA-N 2 1 407.602 3.920 20 0 HHADMP Nc1c(Br)cc(Br)cc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000463282686 986249776 /nfs/dbraw/zinc/24/97/76/986249776.db2.gz RWTBSGMRRWGLNE-UHFFFAOYSA-N 2 1 405.178 3.759 20 0 HHADMP C[C@@H]1CN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cn2)CCO1 ZINC000463307717 986274882 /nfs/dbraw/zinc/27/48/82/986274882.db2.gz YXYQLPRCDOGRNK-GKBKNJALSA-N 2 1 406.574 3.592 20 0 HHADMP C[C@@H]1CN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cn2)CCO1 ZINC000463307717 986274890 /nfs/dbraw/zinc/27/48/90/986274890.db2.gz YXYQLPRCDOGRNK-GKBKNJALSA-N 2 1 406.574 3.592 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444201685 986380928 /nfs/dbraw/zinc/38/09/28/986380928.db2.gz CLESYOXIVBLYPP-OAQYLSRUSA-N 2 1 409.578 3.626 20 0 HHADMP CCN(CCC[NH+](C)C)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000468738144 986451676 /nfs/dbraw/zinc/45/16/76/986451676.db2.gz KLGPQOUMZVOVBB-UHFFFAOYSA-N 2 1 415.409 3.941 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)cc1 ZINC000444582942 986770204 /nfs/dbraw/zinc/77/02/04/986770204.db2.gz LMZFCEHRURHMMG-GOSISDBHSA-N 2 1 417.557 3.640 20 0 HHADMP O=C(CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)N1CCc2ccccc2C1 ZINC000444596572 986783504 /nfs/dbraw/zinc/78/35/04/986783504.db2.gz LNTJLTNERYZJRI-HHHXNRCGSA-N 2 1 417.597 3.950 20 0 HHADMP O=C(CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)N1CCc2ccccc2C1 ZINC000444596572 986783514 /nfs/dbraw/zinc/78/35/14/986783514.db2.gz LNTJLTNERYZJRI-HHHXNRCGSA-N 2 1 417.597 3.950 20 0 HHADMP O=C(CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)N1CCc2ccccc2C1 ZINC000444596572 986783528 /nfs/dbraw/zinc/78/35/28/986783528.db2.gz LNTJLTNERYZJRI-HHHXNRCGSA-N 2 1 417.597 3.950 20 0 HHADMP C[N@H+](CCC(=O)N1CCc2ccccc2C1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000444606124 986793538 /nfs/dbraw/zinc/79/35/38/986793538.db2.gz FLBLUSCGNVIRNR-UHFFFAOYSA-N 2 1 406.574 3.595 20 0 HHADMP Cc1cccc2nc(C3CC[NH+](CC(=O)NC[C@@H](c4ccccc4)[NH+](C)C)CC3)oc21 ZINC000444773489 986932341 /nfs/dbraw/zinc/93/23/41/986932341.db2.gz RGFFSJLBMFGGPP-QFIPXVFZSA-N 2 1 420.557 3.735 20 0 HHADMP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)cc2)CC1 ZINC000469522177 987197844 /nfs/dbraw/zinc/19/78/44/987197844.db2.gz OSSKTXKJDNBDDQ-FCHUYYIVSA-N 2 1 412.622 3.555 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)[C@H](C)C1 ZINC000469784927 987430794 /nfs/dbraw/zinc/43/07/94/987430794.db2.gz DNHNWZJIJYOGLL-YSTOQKLRSA-N 2 1 407.624 3.527 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)[C@H](C)C1 ZINC000469784927 987430796 /nfs/dbraw/zinc/43/07/96/987430796.db2.gz DNHNWZJIJYOGLL-YSTOQKLRSA-N 2 1 407.624 3.527 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[S@](=O)c2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC000469787792 987432782 /nfs/dbraw/zinc/43/27/82/987432782.db2.gz RIFLGBOARPYGQL-NZNCXITGSA-N 2 1 421.434 3.828 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000469791558 987435789 /nfs/dbraw/zinc/43/57/89/987435789.db2.gz PSDPOYLFPMSDFL-IKVWTGGYSA-N 2 1 410.002 3.632 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000469791558 987435796 /nfs/dbraw/zinc/43/57/96/987435796.db2.gz PSDPOYLFPMSDFL-IKVWTGGYSA-N 2 1 410.002 3.632 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2cc(F)cc(Br)c2)[C@@H](C)C1 ZINC000469794040 987437593 /nfs/dbraw/zinc/43/75/93/987437593.db2.gz LQUJZDXSVNEFCC-HNAYVOBHSA-N 2 1 417.363 3.694 20 0 HHADMP CC(C)c1[nH+]ccn1CCC(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000469869414 987506950 /nfs/dbraw/zinc/50/69/50/987506950.db2.gz DEDAUHIBEZPFCU-UHFFFAOYSA-N 2 1 418.969 3.710 20 0 HHADMP Nc1c(Br)cc(Br)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000470096216 987997063 /nfs/dbraw/zinc/99/70/63/987997063.db2.gz GGKQZSXTHPNOJW-STQMWFEESA-N 2 1 403.162 3.510 20 0 HHADMP Nc1c(Br)cc(Br)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000470096216 987997071 /nfs/dbraw/zinc/99/70/71/987997071.db2.gz GGKQZSXTHPNOJW-STQMWFEESA-N 2 1 403.162 3.510 20 0 HHADMP CC(C)[NH+]1CCC([NH2+]Cc2cc(Br)cc(Br)c2N)CC1 ZINC000470107357 988009444 /nfs/dbraw/zinc/00/94/44/988009444.db2.gz YZNLZOAXCMGJDP-UHFFFAOYSA-N 2 1 405.178 3.756 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470166699 988080642 /nfs/dbraw/zinc/08/06/42/988080642.db2.gz WYAHDIUNCYOLCG-SFHVURJKSA-N 2 1 411.472 3.593 20 0 HHADMP COc1cccc(N2C[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2=O)c1 ZINC000470171999 988087801 /nfs/dbraw/zinc/08/78/01/988087801.db2.gz QYNZQNPKRIYUNQ-AADSMUJASA-N 2 1 405.542 3.586 20 0 HHADMP COc1cccc(N2C[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2=O)c1 ZINC000470171999 988087816 /nfs/dbraw/zinc/08/78/16/988087816.db2.gz QYNZQNPKRIYUNQ-AADSMUJASA-N 2 1 405.542 3.586 20 0 HHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470291791 988250840 /nfs/dbraw/zinc/25/08/40/988250840.db2.gz UYMJODGBQHXXTN-SFHVURJKSA-N 2 1 411.472 3.545 20 0 HHADMP C=Cc1ccc(CCNC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000464431335 988603010 /nfs/dbraw/zinc/60/30/10/988603010.db2.gz WNJOBJGWCDRIIS-UHFFFAOYSA-N 2 1 412.622 3.710 20 0 HHADMP CN(C(=O)c1ccc(C[NH+]2CCSCC2)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470680469 988704717 /nfs/dbraw/zinc/70/47/17/988704717.db2.gz DYDDKSRJLLAAAB-DEOSSOPVSA-N 2 1 423.626 3.972 20 0 HHADMP CN(C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470739209 988777163 /nfs/dbraw/zinc/77/71/63/988777163.db2.gz YVDLOCVXPZMXKE-FCHUYYIVSA-N 2 1 410.562 3.723 20 0 HHADMP CN(C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470739210 988777216 /nfs/dbraw/zinc/77/72/16/988777216.db2.gz YVDLOCVXPZMXKE-FGZHOGPDSA-N 2 1 410.562 3.723 20 0 HHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000470752814 988794683 /nfs/dbraw/zinc/79/46/83/988794683.db2.gz BQLXWJGJOHJKSV-JOCHJYFZSA-N 2 1 412.622 3.792 20 0 HHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000470968386 989032879 /nfs/dbraw/zinc/03/28/79/989032879.db2.gz PXNCEICSCSMVEA-JOCHJYFZSA-N 2 1 405.586 3.946 20 0 HHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000470968386 989032890 /nfs/dbraw/zinc/03/28/90/989032890.db2.gz PXNCEICSCSMVEA-JOCHJYFZSA-N 2 1 405.586 3.946 20 0 HHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000470968386 989032893 /nfs/dbraw/zinc/03/28/93/989032893.db2.gz PXNCEICSCSMVEA-JOCHJYFZSA-N 2 1 405.586 3.946 20 0 HHADMP O=C(CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)Nc1ccc(Cl)cc1F ZINC000470996817 989062673 /nfs/dbraw/zinc/06/26/73/989062673.db2.gz LGVRUVGBAFVDLF-HDICACEKSA-N 2 1 401.913 3.872 20 0 HHADMP O=C(CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccc(Cl)cc1F ZINC000470996817 989062676 /nfs/dbraw/zinc/06/26/76/989062676.db2.gz LGVRUVGBAFVDLF-HDICACEKSA-N 2 1 401.913 3.872 20 0 HHADMP O=C(CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccc(Cl)cc1F ZINC000470996817 989062689 /nfs/dbraw/zinc/06/26/89/989062689.db2.gz LGVRUVGBAFVDLF-HDICACEKSA-N 2 1 401.913 3.872 20 0 HHADMP C[C@@H](OC[C@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000470998561 989064372 /nfs/dbraw/zinc/06/43/72/989064372.db2.gz YWPLWUGBPQKUQQ-UWSZBUKDSA-N 2 1 414.977 3.842 20 0 HHADMP C[C@@H](OC[C@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000470998561 989064383 /nfs/dbraw/zinc/06/43/83/989064383.db2.gz YWPLWUGBPQKUQQ-UWSZBUKDSA-N 2 1 414.977 3.842 20 0 HHADMP C[C@@H](OC[C@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000470998561 989064399 /nfs/dbraw/zinc/06/43/99/989064399.db2.gz YWPLWUGBPQKUQQ-UWSZBUKDSA-N 2 1 414.977 3.842 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000464960086 989259834 /nfs/dbraw/zinc/25/98/34/989259834.db2.gz JICWHISOBTWRNB-OAQYLSRUSA-N 2 1 400.611 3.840 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC000465019130 989339279 /nfs/dbraw/zinc/33/92/79/989339279.db2.gz ZPIZKAUSYBVHGQ-NOZRDPDXSA-N 2 1 412.622 3.662 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000465019130 989339291 /nfs/dbraw/zinc/33/92/91/989339291.db2.gz ZPIZKAUSYBVHGQ-NOZRDPDXSA-N 2 1 412.622 3.662 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000465019130 989339300 /nfs/dbraw/zinc/33/93/00/989339300.db2.gz ZPIZKAUSYBVHGQ-NOZRDPDXSA-N 2 1 412.622 3.662 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000471374830 989551378 /nfs/dbraw/zinc/55/13/78/989551378.db2.gz SYLKRQBPHVAUMP-GXKRZCMTSA-N 2 1 414.619 3.807 20 0 HHADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000471375872 989552111 /nfs/dbraw/zinc/55/21/11/989552111.db2.gz IUMROKPIAILLNG-UHFFFAOYSA-N 2 1 409.599 3.931 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000465211046 989560447 /nfs/dbraw/zinc/56/04/47/989560447.db2.gz OAUIXOURIFTMTH-TZIWHRDSSA-N 2 1 411.512 3.535 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465211046 989560450 /nfs/dbraw/zinc/56/04/50/989560450.db2.gz OAUIXOURIFTMTH-TZIWHRDSSA-N 2 1 411.512 3.535 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465211046 989560453 /nfs/dbraw/zinc/56/04/53/989560453.db2.gz OAUIXOURIFTMTH-TZIWHRDSSA-N 2 1 411.512 3.535 20 0 HHADMP O=C(NCc1ccccc1C[NH+]1CCCCC1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471515010 989714433 /nfs/dbraw/zinc/71/44/33/989714433.db2.gz OOJFYXXAZDIMKO-HSZRJFAPSA-N 2 1 420.601 3.994 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000465421532 989767073 /nfs/dbraw/zinc/76/70/73/989767073.db2.gz LBUURULJVWGWLE-JOCHJYFZSA-N 2 1 400.611 3.805 20 0 HHADMP COc1cccc([C@H](CNC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)[NH+](C)C)c1 ZINC000465437962 989783539 /nfs/dbraw/zinc/78/35/39/989783539.db2.gz XACKPONPLOXPHB-YKSBVNFPSA-N 2 1 424.589 3.604 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1cccc(OC)c1 ZINC000465491653 989839493 /nfs/dbraw/zinc/83/94/93/989839493.db2.gz VCKBLSUAHDTAHA-IFMALSPDSA-N 2 1 404.599 3.594 20 0 HHADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cc2)C1 ZINC000465516028 989869041 /nfs/dbraw/zinc/86/90/41/989869041.db2.gz AMRGCUXPRDCMJE-HMCFTDRDSA-N 2 1 412.622 3.979 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000465536989 989901004 /nfs/dbraw/zinc/90/10/04/989901004.db2.gz FXQBONJHFUPACK-FAKFISEUSA-N 2 1 400.611 3.789 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000465536989 989901012 /nfs/dbraw/zinc/90/10/12/989901012.db2.gz FXQBONJHFUPACK-FAKFISEUSA-N 2 1 400.611 3.789 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000465536989 989901017 /nfs/dbraw/zinc/90/10/17/989901017.db2.gz FXQBONJHFUPACK-FAKFISEUSA-N 2 1 400.611 3.789 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000465558833 989924288 /nfs/dbraw/zinc/92/42/88/989924288.db2.gz UNXIRMIGPGSWJA-HSZRJFAPSA-N 2 1 400.611 3.792 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000465577575 989947520 /nfs/dbraw/zinc/94/75/20/989947520.db2.gz SXJBTANVILUGFB-REWPJTCUSA-N 2 1 400.611 3.934 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000465577575 989947530 /nfs/dbraw/zinc/94/75/30/989947530.db2.gz SXJBTANVILUGFB-REWPJTCUSA-N 2 1 400.611 3.934 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000465577575 989947535 /nfs/dbraw/zinc/94/75/35/989947535.db2.gz SXJBTANVILUGFB-REWPJTCUSA-N 2 1 400.611 3.934 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000465582142 989953829 /nfs/dbraw/zinc/95/38/29/989953829.db2.gz ZNAFSZTZVOTZSS-NRFANRHFSA-N 2 1 400.611 3.792 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000465586783 989961710 /nfs/dbraw/zinc/96/17/10/989961710.db2.gz BWLVBMQECPLPHQ-JOCHJYFZSA-N 2 1 400.611 3.805 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000465633631 990019284 /nfs/dbraw/zinc/01/92/84/990019284.db2.gz VRJZUMYAARASJV-DEOSSOPVSA-N 2 1 408.590 3.802 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000465723708 990109402 /nfs/dbraw/zinc/10/94/02/990109402.db2.gz RBEYIOPIMXHHAD-INIZCTEOSA-N 2 1 424.014 3.507 20 0 HHADMP C[C@@H]1CCC[C@@](CNC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)([NH+](C)C)C1 ZINC000465724761 990110398 /nfs/dbraw/zinc/11/03/98/990110398.db2.gz NZLLDKUGJTYJQT-KIFXHHALSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000465739404 990124931 /nfs/dbraw/zinc/12/49/31/990124931.db2.gz DZVPRWBAKBPJLE-ZPFZUWPUSA-N 2 1 414.638 3.906 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000465755246 990141551 /nfs/dbraw/zinc/14/15/51/990141551.db2.gz OCKJGEWIGVKNPW-DEOSSOPVSA-N 2 1 408.590 3.672 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000465755246 990141556 /nfs/dbraw/zinc/14/15/56/990141556.db2.gz OCKJGEWIGVKNPW-DEOSSOPVSA-N 2 1 408.590 3.672 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000465755246 990141562 /nfs/dbraw/zinc/14/15/62/990141562.db2.gz OCKJGEWIGVKNPW-DEOSSOPVSA-N 2 1 408.590 3.672 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000465860848 990971854 /nfs/dbraw/zinc/97/18/54/990971854.db2.gz DCHMSZHTAABWFE-HSZRJFAPSA-N 2 1 400.611 3.505 20 0 HHADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000465866114 990978166 /nfs/dbraw/zinc/97/81/66/990978166.db2.gz JCQMGGRQXFUYDX-QGZVFWFLSA-N 2 1 413.393 3.741 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000465866114 990978174 /nfs/dbraw/zinc/97/81/74/990978174.db2.gz JCQMGGRQXFUYDX-QGZVFWFLSA-N 2 1 413.393 3.741 20 0 HHADMP CCSc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000465890207 991014891 /nfs/dbraw/zinc/01/48/91/991014891.db2.gz NERAMWYMTCSGDH-QUCCMNQESA-N 2 1 406.640 3.917 20 0 HHADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000465964712 991111104 /nfs/dbraw/zinc/11/11/04/991111104.db2.gz ZPPRTWIQCNBYAT-QFIPXVFZSA-N 2 1 412.578 3.975 20 0 HHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000465964712 991111109 /nfs/dbraw/zinc/11/11/09/991111109.db2.gz ZPPRTWIQCNBYAT-QFIPXVFZSA-N 2 1 412.578 3.975 20 0 HHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000465964712 991111113 /nfs/dbraw/zinc/11/11/13/991111113.db2.gz ZPPRTWIQCNBYAT-QFIPXVFZSA-N 2 1 412.578 3.975 20 0 HHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000465964712 991111119 /nfs/dbraw/zinc/11/11/19/991111119.db2.gz ZPPRTWIQCNBYAT-QFIPXVFZSA-N 2 1 412.578 3.975 20 0 HHADMP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000466085937 991264597 /nfs/dbraw/zinc/26/45/97/991264597.db2.gz STOXPIUMCZQJLD-IRLDBZIGSA-N 2 1 414.619 3.904 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000466224018 991443838 /nfs/dbraw/zinc/44/38/38/991443838.db2.gz YRHPQBYZZKGBLS-SQJMNOBHSA-N 2 1 420.601 3.656 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)N[C@H]3CC[N@@H+](CC4CCCC4)C3)c(C)c2)CC1 ZINC000466285476 991533237 /nfs/dbraw/zinc/53/32/37/991533237.db2.gz FTCFTMWJWQLEON-NRFANRHFSA-N 2 1 413.610 3.523 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000466525165 991820926 /nfs/dbraw/zinc/82/09/26/991820926.db2.gz GIJQWQRWPMPMAT-XUZZJYLKSA-N 2 1 420.601 3.955 20 0 HHADMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000466730962 992040663 /nfs/dbraw/zinc/04/06/63/992040663.db2.gz JKFGXNXIWBODBA-OALUTQOASA-N 2 1 415.578 3.821 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000466797704 992104311 /nfs/dbraw/zinc/10/43/11/992104311.db2.gz XICPTBNSZRPYIN-HYBUGGRVSA-N 2 1 408.590 3.501 20 0 HHADMP Cc1cc(-c2noc([C@H](C)[NH+]3CCC(OCC[NH+]4CCCC4)CC3)n2)ccc1F ZINC000466935388 992246961 /nfs/dbraw/zinc/24/69/61/992246961.db2.gz UNMVZXAPOGTOCU-KRWDZBQOSA-N 2 1 402.514 3.822 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000467083144 992388893 /nfs/dbraw/zinc/38/88/93/992388893.db2.gz GLLBFVJPSCIRRX-OAQYLSRUSA-N 2 1 414.638 3.977 20 0 HHADMP C[C@@H]1[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC(=O)N1Cc1ccccc1 ZINC000467436580 992733767 /nfs/dbraw/zinc/73/37/67/992733767.db2.gz XYINXXNTRBTZFM-HYOIWIKGSA-N 2 1 403.570 3.961 20 0 HHADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](Cc2ccccc2Br)c2ccc(F)cc2)C1 ZINC000467633172 992897176 /nfs/dbraw/zinc/89/71/76/992897176.db2.gz ATCBPEUTTHUZCJ-UXHICEINSA-N 2 1 407.327 3.528 20 0 HHADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H](Cc2ccccc2Br)c2ccc(F)cc2)C1 ZINC000467633172 992897181 /nfs/dbraw/zinc/89/71/81/992897181.db2.gz ATCBPEUTTHUZCJ-UXHICEINSA-N 2 1 407.327 3.528 20 0 HHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467842952 993074908 /nfs/dbraw/zinc/07/49/08/993074908.db2.gz FYPNTAOVVUYKGT-MSOLQXFVSA-N 2 1 421.632 3.561 20 0 HHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467842952 993074912 /nfs/dbraw/zinc/07/49/12/993074912.db2.gz FYPNTAOVVUYKGT-MSOLQXFVSA-N 2 1 421.632 3.561 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000472167577 993214530 /nfs/dbraw/zinc/21/45/30/993214530.db2.gz ACRQQWWHRYHHSN-ZCYQVOJMSA-N 2 1 420.601 3.718 20 0 HHADMP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000472167577 993214542 /nfs/dbraw/zinc/21/45/42/993214542.db2.gz ACRQQWWHRYHHSN-ZCYQVOJMSA-N 2 1 420.601 3.718 20 0 HHADMP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000472167577 993214544 /nfs/dbraw/zinc/21/45/44/993214544.db2.gz ACRQQWWHRYHHSN-ZCYQVOJMSA-N 2 1 420.601 3.718 20 0 HHADMP CN(C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000472291956 993307525 /nfs/dbraw/zinc/30/75/25/993307525.db2.gz ALZQSSXIVSPJRX-JWQCQUIFSA-N 2 1 420.601 3.815 20 0 HHADMP CN(C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000472291956 993307534 /nfs/dbraw/zinc/30/75/34/993307534.db2.gz ALZQSSXIVSPJRX-JWQCQUIFSA-N 2 1 420.601 3.815 20 0 HHADMP CN(C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000472291956 993307542 /nfs/dbraw/zinc/30/75/42/993307542.db2.gz ALZQSSXIVSPJRX-JWQCQUIFSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472366133 993363088 /nfs/dbraw/zinc/36/30/88/993363088.db2.gz HTRCBRLAFLGSRB-RCZVLFRGSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472366133 993363095 /nfs/dbraw/zinc/36/30/95/993363095.db2.gz HTRCBRLAFLGSRB-RCZVLFRGSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472366133 993363101 /nfs/dbraw/zinc/36/31/01/993363101.db2.gz HTRCBRLAFLGSRB-RCZVLFRGSA-N 2 1 420.601 3.815 20 0 HHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1 ZINC000480733540 993599857 /nfs/dbraw/zinc/59/98/57/993599857.db2.gz BBIJYTYMTQHWLS-IBGZPJMESA-N 2 1 420.601 3.905 20 0 HHADMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1)c1ccc2c(c1)OCCO2 ZINC000480737039 993603585 /nfs/dbraw/zinc/60/35/85/993603585.db2.gz IDTBYZSDEFESQK-HSZRJFAPSA-N 2 1 409.574 3.836 20 0 HHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cnn(-c3cccc(Cl)c3)c2C)CC1 ZINC000480760021 993624859 /nfs/dbraw/zinc/62/48/59/993624859.db2.gz APRYCUUEGMCLCJ-SFHVURJKSA-N 2 1 404.002 3.902 20 0 HHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000480763717 993629056 /nfs/dbraw/zinc/62/90/56/993629056.db2.gz HJWBAQWDWPQYLN-LJQANCHMSA-N 2 1 410.400 3.670 20 0 HHADMP CCC[N@H+](CCc1ccccc1C(=O)OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000480771228 993636187 /nfs/dbraw/zinc/63/61/87/993636187.db2.gz UWYGSLUBAOKBTK-UHFFFAOYSA-N 2 1 410.562 3.804 20 0 HHADMP CCC[N@@H+](CCc1ccccc1C(=O)OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000480771228 993636189 /nfs/dbraw/zinc/63/61/89/993636189.db2.gz UWYGSLUBAOKBTK-UHFFFAOYSA-N 2 1 410.562 3.804 20 0 HHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000480777334 993643445 /nfs/dbraw/zinc/64/34/45/993643445.db2.gz HSDHJDYPOSEAES-WIYYLYMNSA-N 3 1 412.544 3.537 20 0 HHADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000480777334 993643452 /nfs/dbraw/zinc/64/34/52/993643452.db2.gz HSDHJDYPOSEAES-WIYYLYMNSA-N 2 1 412.544 3.537 20 0 HHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000480778541 993644694 /nfs/dbraw/zinc/64/46/94/993644694.db2.gz IDTJQJJURRDFHQ-YADARESESA-N 2 1 420.601 3.946 20 0 HHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000480778991 993646105 /nfs/dbraw/zinc/64/61/05/993646105.db2.gz JIPBEBKVOUVWDE-OFVILXPXSA-N 2 1 403.574 3.902 20 0 HHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000480897584 993755410 /nfs/dbraw/zinc/75/54/10/993755410.db2.gz LKIGWFJVQHWXKC-SFHVURJKSA-N 2 1 406.574 3.515 20 0 HHADMP C[C@@H]([NH2+]Cc1cn2cc(Br)ccc2n1)c1cccc(OCC[NH+](C)C)c1 ZINC000480899129 993756021 /nfs/dbraw/zinc/75/60/21/993756021.db2.gz OWWYYEXOBAOIFN-OAHLLOKOSA-N 2 1 417.351 3.888 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)[C@H](C)C1 ZINC000480904689 993760660 /nfs/dbraw/zinc/76/06/60/993760660.db2.gz YITSPHCBWNHDQD-KNQAVFIVSA-N 2 1 410.562 3.561 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)[C@H](C)C1 ZINC000480904689 993760667 /nfs/dbraw/zinc/76/06/67/993760667.db2.gz YITSPHCBWNHDQD-KNQAVFIVSA-N 2 1 410.562 3.561 20 0 HHADMP CC1(C)C[C@@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)c2ccccc21 ZINC000480909251 993765353 /nfs/dbraw/zinc/76/53/53/993765353.db2.gz HMGPJSURLQLLPN-HSZRJFAPSA-N 2 1 407.558 3.860 20 0 HHADMP C[C@H](CCNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000472958143 993890960 /nfs/dbraw/zinc/89/09/60/993890960.db2.gz HPWUIHNYPSVFML-JOCHJYFZSA-N 2 1 422.617 3.903 20 0 HHADMP Cc1cccc(CCC[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000481107206 993943950 /nfs/dbraw/zinc/94/39/50/993943950.db2.gz AIAOHMBANQQVPR-UHFFFAOYSA-N 2 1 407.602 3.888 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000481172389 994003056 /nfs/dbraw/zinc/00/30/56/994003056.db2.gz IPXODFJGHCNTHX-JTSKRJEESA-N 2 1 417.956 3.938 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000481172389 994003062 /nfs/dbraw/zinc/00/30/62/994003062.db2.gz IPXODFJGHCNTHX-JTSKRJEESA-N 2 1 417.956 3.938 20 0 HHADMP CC(C)Oc1cccc(CNC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481176585 994006883 /nfs/dbraw/zinc/00/68/83/994006883.db2.gz MAELQEXSOPGVGC-YKSBVNFPSA-N 2 1 409.574 3.590 20 0 HHADMP CC(C)Oc1cccc(CNC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481176585 994006896 /nfs/dbraw/zinc/00/68/96/994006896.db2.gz MAELQEXSOPGVGC-YKSBVNFPSA-N 2 1 409.574 3.590 20 0 HHADMP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)CCC3)cc1 ZINC000481176801 994007612 /nfs/dbraw/zinc/00/76/12/994007612.db2.gz SJHWZDIPLDYRTQ-LJQANCHMSA-N 2 1 401.576 3.633 20 0 HHADMP CC(C)OCc1ccc(CNC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481182288 994012697 /nfs/dbraw/zinc/01/26/97/994012697.db2.gz XRQLAEXAQFAIJE-SQJMNOBHSA-N 2 1 423.601 3.728 20 0 HHADMP CC(C)OCc1ccc(CNC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481182288 994012707 /nfs/dbraw/zinc/01/27/07/994012707.db2.gz XRQLAEXAQFAIJE-SQJMNOBHSA-N 2 1 423.601 3.728 20 0 HHADMP C/C=C/c1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(OC)c1 ZINC000481202463 994036085 /nfs/dbraw/zinc/03/60/85/994036085.db2.gz SNVDDLNEQGNZKD-IJUXTCFMSA-N 2 1 424.585 3.968 20 0 HHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)[C@H](C)C1 ZINC000481308382 994125174 /nfs/dbraw/zinc/12/51/74/994125174.db2.gz LFMCLVYNIIQFMT-PXDATVDWSA-N 2 1 422.617 3.871 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)[C@H](C)C1 ZINC000481308382 994125182 /nfs/dbraw/zinc/12/51/82/994125182.db2.gz LFMCLVYNIIQFMT-PXDATVDWSA-N 2 1 422.617 3.871 20 0 HHADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(S(=O)(=O)NC3CCCCCC3)c2)C1 ZINC000481318324 994137653 /nfs/dbraw/zinc/13/76/53/994137653.db2.gz KBMSJKTXWQBBKU-RBUKOAKNSA-N 2 1 407.624 3.680 20 0 HHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(S(=O)(=O)NC3CCCCCC3)c2)C1 ZINC000481318324 994137662 /nfs/dbraw/zinc/13/76/62/994137662.db2.gz KBMSJKTXWQBBKU-RBUKOAKNSA-N 2 1 407.624 3.680 20 0 HHADMP CC(C)C[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCCc2cccnc21 ZINC000481348063 994171173 /nfs/dbraw/zinc/17/11/73/994171173.db2.gz PVWRJLLPNKCHKN-GOTSBHOMSA-N 2 1 408.590 3.836 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cc(Br)ccc2F)[C@@H](C)C1 ZINC000481408183 994242938 /nfs/dbraw/zinc/24/29/38/994242938.db2.gz RPRAVBVMTSHSAV-KXBFYZLASA-N 2 1 401.364 3.857 20 0 HHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481667677 994527673 /nfs/dbraw/zinc/52/76/73/994527673.db2.gz HCZJAOFXLHPKFX-LPHOPBHVSA-N 2 1 416.031 3.657 20 0 HHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481667677 994527684 /nfs/dbraw/zinc/52/76/84/994527684.db2.gz HCZJAOFXLHPKFX-LPHOPBHVSA-N 2 1 416.031 3.657 20 0 HHADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481917061 994788719 /nfs/dbraw/zinc/78/87/19/994788719.db2.gz OSCNMNRZVXQDGM-QFBILLFUSA-N 2 1 416.031 3.943 20 0 HHADMP CCCC[NH+]1CCC([NH2+][C@@H](CC)c2ccc(Cl)c(S(=O)(=O)NC)c2)CC1 ZINC000481921699 994794027 /nfs/dbraw/zinc/79/40/27/994794027.db2.gz NVAUSLPZQIBVLE-SFHVURJKSA-N 2 1 402.004 3.553 20 0 HHADMP CC[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481932039 994804968 /nfs/dbraw/zinc/80/49/68/994804968.db2.gz LDXZMHSHXSWCJZ-HXUWFJFHSA-N 2 1 424.010 3.811 20 0 HHADMP CC[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481932039 994804976 /nfs/dbraw/zinc/80/49/76/994804976.db2.gz LDXZMHSHXSWCJZ-HXUWFJFHSA-N 2 1 424.010 3.811 20 0 HHADMP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)cc21 ZINC000473869898 994810594 /nfs/dbraw/zinc/81/05/94/994810594.db2.gz AEDDSSKLARHUAA-QFIPXVFZSA-N 2 1 408.521 3.945 20 0 HHADMP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)cc21 ZINC000473869898 994810600 /nfs/dbraw/zinc/81/06/00/994810600.db2.gz AEDDSSKLARHUAA-QFIPXVFZSA-N 2 1 408.521 3.945 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000473941445 994916180 /nfs/dbraw/zinc/91/61/80/994916180.db2.gz QZCCXDAORYYHKW-NGRWLJPCSA-N 2 1 400.611 3.705 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)N(CC)[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000474004303 994993515 /nfs/dbraw/zinc/99/35/15/994993515.db2.gz DWQSMMCUOXEMAB-REWPJTCUSA-N 2 1 400.611 3.975 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)CC[NH+](C)C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474014415 995005252 /nfs/dbraw/zinc/00/52/52/995005252.db2.gz WCEVUMRBPKBTLN-VQTJNVASSA-N 2 1 410.965 3.739 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N(C)CC[NH+](C)C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474014415 995005265 /nfs/dbraw/zinc/00/52/65/995005265.db2.gz WCEVUMRBPKBTLN-VQTJNVASSA-N 2 1 410.965 3.739 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N(C)CC[N@H+](C)C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474014415 995005287 /nfs/dbraw/zinc/00/52/87/995005287.db2.gz WCEVUMRBPKBTLN-VQTJNVASSA-N 2 1 410.965 3.739 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N(C)CC[N@@H+](C)C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474014415 995005297 /nfs/dbraw/zinc/00/52/97/995005297.db2.gz WCEVUMRBPKBTLN-VQTJNVASSA-N 2 1 410.965 3.739 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)CC[NH+](C)C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474014413 995005720 /nfs/dbraw/zinc/00/57/20/995005720.db2.gz WCEVUMRBPKBTLN-PMACEKPBSA-N 2 1 410.965 3.739 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N(C)CC[NH+](C)C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474014413 995005726 /nfs/dbraw/zinc/00/57/26/995005726.db2.gz WCEVUMRBPKBTLN-PMACEKPBSA-N 2 1 410.965 3.739 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N(C)CC[N@H+](C)C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474014413 995005735 /nfs/dbraw/zinc/00/57/35/995005735.db2.gz WCEVUMRBPKBTLN-PMACEKPBSA-N 2 1 410.965 3.739 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N(C)CC[N@@H+](C)C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474014413 995005740 /nfs/dbraw/zinc/00/57/40/995005740.db2.gz WCEVUMRBPKBTLN-PMACEKPBSA-N 2 1 410.965 3.739 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)C1CCC(F)(F)CC1 ZINC000474032208 995023137 /nfs/dbraw/zinc/02/31/37/995023137.db2.gz JIBKCNINVDMEOL-QGZVFWFLSA-N 2 1 409.521 3.651 20 0 HHADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000474046276 995037212 /nfs/dbraw/zinc/03/72/12/995037212.db2.gz QYAFYIWNZLTQOC-HSZRJFAPSA-N 2 1 407.558 3.595 20 0 HHADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000474071961 995058179 /nfs/dbraw/zinc/05/81/79/995058179.db2.gz HNUHIAPUOJZSOV-HYBUGGRVSA-N 2 1 421.585 3.905 20 0 HHADMP C[C@H](NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1Br ZINC000482111887 995059582 /nfs/dbraw/zinc/05/95/82/995059582.db2.gz FIBHGOIQJGDNTI-INIZCTEOSA-N 2 1 421.358 3.846 20 0 HHADMP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)ccc1S(C)(=O)=O ZINC000482120325 995067969 /nfs/dbraw/zinc/06/79/69/995067969.db2.gz AUTPHWDOUVLRRY-DLBZAZTESA-N 2 1 422.616 3.723 20 0 HHADMP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1S(C)(=O)=O ZINC000482120325 995067979 /nfs/dbraw/zinc/06/79/79/995067979.db2.gz AUTPHWDOUVLRRY-DLBZAZTESA-N 2 1 422.616 3.723 20 0 HHADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCc1ccc(C(=O)OC)o1 ZINC000482211610 995195172 /nfs/dbraw/zinc/19/51/72/995195172.db2.gz KHPAQJBNPNHZQB-WMZOPIPTSA-N 2 1 416.518 3.616 20 0 HHADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCc1ccc(C(=O)OC)o1 ZINC000482211610 995195182 /nfs/dbraw/zinc/19/51/82/995195182.db2.gz KHPAQJBNPNHZQB-WMZOPIPTSA-N 2 1 416.518 3.616 20 0 HHADMP CC(=O)N1CC[NH+](CCOc2ccc(CC[NH2+][C@@H](C)c3cccc(C)c3C)cc2)CC1 ZINC000482236694 995219262 /nfs/dbraw/zinc/21/92/62/995219262.db2.gz BWEPINYUUHELQK-QFIPXVFZSA-N 2 1 423.601 3.740 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(F)cc1Br ZINC000482247924 995228154 /nfs/dbraw/zinc/22/81/54/995228154.db2.gz WKDIPEQIVULLRX-AWEZNQCLSA-N 2 1 422.342 3.730 20 0 HHADMP CC(=O)N1CC[NH+](CCOc2ccc(CC[NH2+][C@H](C)c3ccc(C)cc3C)cc2)CC1 ZINC000482250550 995230551 /nfs/dbraw/zinc/23/05/51/995230551.db2.gz SBDIFDFUYCUSOV-JOCHJYFZSA-N 2 1 423.601 3.740 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)C1 ZINC000482339973 995318774 /nfs/dbraw/zinc/31/87/74/995318774.db2.gz YSELBMWTMOUDCI-OALUTQOASA-N 2 1 419.591 3.529 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000474511575 995472638 /nfs/dbraw/zinc/47/26/38/995472638.db2.gz CMSHFKMEOHXLNF-NHCUHLMSSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC000474516417 995480200 /nfs/dbraw/zinc/48/02/00/995480200.db2.gz JRKBTFBYPWCQGM-PABCKOPISA-N 2 1 400.611 3.659 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000474516417 995480202 /nfs/dbraw/zinc/48/02/02/995480202.db2.gz JRKBTFBYPWCQGM-PABCKOPISA-N 2 1 400.611 3.659 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000474516417 995480206 /nfs/dbraw/zinc/48/02/06/995480206.db2.gz JRKBTFBYPWCQGM-PABCKOPISA-N 2 1 400.611 3.659 20 0 HHADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000482528859 995537941 /nfs/dbraw/zinc/53/79/41/995537941.db2.gz AGTVPTJRBUHKHQ-XMSQKQJNSA-N 2 1 417.956 3.940 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000482528859 995537953 /nfs/dbraw/zinc/53/79/53/995537953.db2.gz AGTVPTJRBUHKHQ-XMSQKQJNSA-N 2 1 417.956 3.940 20 0 HHADMP Cc1cccc(COc2ccc([C@@H](C)[NH2+]CCC[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000482545832 995554331 /nfs/dbraw/zinc/55/43/31/995554331.db2.gz ZZSIUXHJRJQHRJ-NFBKMPQASA-N 2 1 409.574 3.812 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000482554731 995562250 /nfs/dbraw/zinc/56/22/50/995562250.db2.gz MLEYDCSZLUDACK-LVXARBLLSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000482554731 995562261 /nfs/dbraw/zinc/56/22/61/995562261.db2.gz MLEYDCSZLUDACK-LVXARBLLSA-N 2 1 407.602 3.644 20 0 HHADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c1)CCCO2 ZINC000482618796 995614341 /nfs/dbraw/zinc/61/43/41/995614341.db2.gz IBOYUYBWYKUUIX-JTHBVZDNSA-N 2 1 407.558 3.696 20 0 HHADMP C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000482623795 995618785 /nfs/dbraw/zinc/61/87/85/995618785.db2.gz QSDANTHCVXNSSY-KSEOMHKRSA-N 2 1 400.611 3.659 20 0 HHADMP CCc1nc(C)c([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)s1 ZINC000482634145 995628357 /nfs/dbraw/zinc/62/83/57/995628357.db2.gz ISQAOKKMCLXNFS-HNAYVOBHSA-N 2 1 400.592 3.562 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCOc4ccc(F)cc43)c2)C1 ZINC000482636851 995632250 /nfs/dbraw/zinc/63/22/50/995632250.db2.gz ACUSLUYAUQRTRU-UGKGYDQZSA-N 2 1 411.521 3.527 20 0 HHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc(F)ccc1F ZINC000482645627 995641423 /nfs/dbraw/zinc/64/14/23/995641423.db2.gz HVBUYWRQTNHSSO-PGRDOPGGSA-N 2 1 401.501 3.903 20 0 HHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc(F)ccc1F ZINC000482645627 995641425 /nfs/dbraw/zinc/64/14/25/995641425.db2.gz HVBUYWRQTNHSSO-PGRDOPGGSA-N 2 1 401.501 3.903 20 0 HHADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000482811031 995766076 /nfs/dbraw/zinc/76/60/76/995766076.db2.gz HXQYWQYJWWWLLJ-OAQYLSRUSA-N 2 1 410.606 3.819 20 0 HHADMP CC(C)[C@H](C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000474890554 995781609 /nfs/dbraw/zinc/78/16/09/995781609.db2.gz AZJZJVPATUBKSS-DEOSSOPVSA-N 2 1 409.574 3.877 20 0 HHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1OC ZINC000474947635 995818418 /nfs/dbraw/zinc/81/84/18/995818418.db2.gz YWJZJISTFBZJJM-DNVFCKCGSA-N 2 1 412.574 3.942 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)[C@H](C)C1 ZINC000482887879 995819365 /nfs/dbraw/zinc/81/93/65/995819365.db2.gz LHVMTGPFMWAHPP-PWHSHALESA-N 2 1 409.565 3.656 20 0 HHADMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(OCc2ccccc2)c1 ZINC000482888642 995819862 /nfs/dbraw/zinc/81/98/62/995819862.db2.gz NCICFCUKCGZANS-HXUWFJFHSA-N 2 1 409.574 3.859 20 0 HHADMP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474978697 995841069 /nfs/dbraw/zinc/84/10/69/995841069.db2.gz ZORYGVMYIOUGOR-ISKFKSNPSA-N 2 1 409.549 3.771 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474978697 995841074 /nfs/dbraw/zinc/84/10/74/995841074.db2.gz ZORYGVMYIOUGOR-ISKFKSNPSA-N 2 1 409.549 3.771 20 0 HHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474978697 995841079 /nfs/dbraw/zinc/84/10/79/995841079.db2.gz ZORYGVMYIOUGOR-ISKFKSNPSA-N 2 1 409.549 3.771 20 0 HHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474978697 995841086 /nfs/dbraw/zinc/84/10/86/995841086.db2.gz ZORYGVMYIOUGOR-ISKFKSNPSA-N 2 1 409.549 3.771 20 0 HHADMP CN(C(=O)NCc1ccccc1C[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475018141 995873634 /nfs/dbraw/zinc/87/36/34/995873634.db2.gz RBANMOBKEQJVDI-DEOSSOPVSA-N 2 1 406.574 3.698 20 0 HHADMP CN(C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475128092 995940518 /nfs/dbraw/zinc/94/05/18/995940518.db2.gz DWEDFYOKROKNCX-RUZDIDTESA-N 2 1 420.601 3.815 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483117300 995986159 /nfs/dbraw/zinc/98/61/59/995986159.db2.gz GQZWNPHHHWQLFL-UGKGYDQZSA-N 2 1 409.549 3.784 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)[C@H](C)C1 ZINC000483143964 996001161 /nfs/dbraw/zinc/00/11/61/996001161.db2.gz YUCHTCXOJUQFEL-WWMYMODYSA-N 2 1 405.974 3.708 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)[C@H](C)C1 ZINC000483143964 996001168 /nfs/dbraw/zinc/00/11/68/996001168.db2.gz YUCHTCXOJUQFEL-WWMYMODYSA-N 2 1 405.974 3.708 20 0 HHADMP Brc1cnn(CCCC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000475214668 996001579 /nfs/dbraw/zinc/00/15/79/996001579.db2.gz QQELQMIWDSYGQA-CEWLAPEOSA-N 2 1 417.395 3.926 20 0 HHADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000483157327 996008259 /nfs/dbraw/zinc/00/82/59/996008259.db2.gz OOPANOAQAUWYCW-MOPGFXCFSA-N 2 1 415.603 3.813 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000483190443 996028134 /nfs/dbraw/zinc/02/81/34/996028134.db2.gz DBGYXCJMTWALNR-OALUTQOASA-N 2 1 420.619 3.554 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(OCC(F)(F)F)nc3)CC2)C[C@H](C)O1 ZINC000483195504 996030998 /nfs/dbraw/zinc/03/09/98/996030998.db2.gz BBSKTMBHOBWRDL-CALCHBBNSA-N 2 1 415.500 3.734 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000475266037 996033963 /nfs/dbraw/zinc/03/39/63/996033963.db2.gz CZXFPSWHFRSMNP-NQHRYMMQSA-N 2 1 420.601 3.955 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000475266037 996033972 /nfs/dbraw/zinc/03/39/72/996033972.db2.gz CZXFPSWHFRSMNP-NQHRYMMQSA-N 2 1 420.601 3.955 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000475266037 996033977 /nfs/dbraw/zinc/03/39/77/996033977.db2.gz CZXFPSWHFRSMNP-NQHRYMMQSA-N 2 1 420.601 3.955 20 0 HHADMP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000475288430 996047248 /nfs/dbraw/zinc/04/72/48/996047248.db2.gz YXLBZKZUXUMWMP-AZUAARDMSA-N 2 1 411.546 3.533 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N(C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC000475313118 996063265 /nfs/dbraw/zinc/06/32/65/996063265.db2.gz OTXTWCJPPONQJR-DNRQZRRGSA-N 2 1 421.585 3.642 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC000475313118 996063268 /nfs/dbraw/zinc/06/32/68/996063268.db2.gz OTXTWCJPPONQJR-DNRQZRRGSA-N 2 1 421.585 3.642 20 0 HHADMP C[NH+]1CCN([C@H](C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c2ccccc2)CC1 ZINC000483462963 996196437 /nfs/dbraw/zinc/19/64/37/996196437.db2.gz HXQPHWOTIOQYDP-VWLOTQADSA-N 2 1 420.601 3.642 20 0 HHADMP O[C@H](COCc1ccccc1F)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483484265 996210825 /nfs/dbraw/zinc/21/08/25/996210825.db2.gz IZQHNRFOFAAMBS-VTZPFEBOSA-N 2 1 412.549 3.690 20 0 HHADMP O[C@H](COCc1ccccc1F)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483484265 996210829 /nfs/dbraw/zinc/21/08/29/996210829.db2.gz IZQHNRFOFAAMBS-VTZPFEBOSA-N 2 1 412.549 3.690 20 0 HHADMP O[C@H](COCc1ccccc1F)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483484265 996210834 /nfs/dbraw/zinc/21/08/34/996210834.db2.gz IZQHNRFOFAAMBS-VTZPFEBOSA-N 2 1 412.549 3.690 20 0 HHADMP O[C@H](COCc1ccccc1F)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483484265 996210839 /nfs/dbraw/zinc/21/08/39/996210839.db2.gz IZQHNRFOFAAMBS-VTZPFEBOSA-N 2 1 412.549 3.690 20 0 HHADMP COc1c[nH+]ccc1N1CC[NH+](Cc2c(C)nn(Cc3ccc(C)cc3)c2C)CC1 ZINC000475614614 996249077 /nfs/dbraw/zinc/24/90/77/996249077.db2.gz GQAZMEHSTKZWQC-UHFFFAOYSA-N 2 1 405.546 3.582 20 0 HHADMP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000475617088 996250871 /nfs/dbraw/zinc/25/08/71/996250871.db2.gz JHIIOOILYYDFQQ-UHFFFAOYSA-N 2 1 417.435 3.617 20 0 HHADMP C[C@@H](c1ccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1)[NH+]1CCOCC1 ZINC000483625727 996294249 /nfs/dbraw/zinc/29/42/49/996294249.db2.gz ZWNNTZAHAVEGEZ-SFHVURJKSA-N 2 1 400.567 3.608 20 0 HHADMP O[C@@H](COCc1ccccc1F)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475727015 996326796 /nfs/dbraw/zinc/32/67/96/996326796.db2.gz BRIGFQAPHRIBGC-NOZRDPDXSA-N 2 1 412.549 3.691 20 0 HHADMP O[C@@H](COCc1ccccc1F)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475727015 996326803 /nfs/dbraw/zinc/32/68/03/996326803.db2.gz BRIGFQAPHRIBGC-NOZRDPDXSA-N 2 1 412.549 3.691 20 0 HHADMP O[C@@H](COCc1ccccc1F)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475727015 996326807 /nfs/dbraw/zinc/32/68/07/996326807.db2.gz BRIGFQAPHRIBGC-NOZRDPDXSA-N 2 1 412.549 3.691 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C[C@H]1C ZINC000483692269 996331720 /nfs/dbraw/zinc/33/17/20/996331720.db2.gz LFHINYXDWLSOAU-NFBKMPQASA-N 2 1 400.611 3.933 20 0 HHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(NS(C)(=O)=O)cc1 ZINC000483728348 996353226 /nfs/dbraw/zinc/35/32/26/996353226.db2.gz OETHKXBQSCRLRQ-VPWXQRGCSA-N 2 1 407.605 3.853 20 0 HHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(NS(C)(=O)=O)cc1 ZINC000483728348 996353230 /nfs/dbraw/zinc/35/32/30/996353230.db2.gz OETHKXBQSCRLRQ-VPWXQRGCSA-N 2 1 407.605 3.853 20 0 HHADMP CC(C)[NH+]1CCC(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CC1 ZINC000475812388 996386877 /nfs/dbraw/zinc/38/68/77/996386877.db2.gz SIHDEURLIOAFTD-UHFFFAOYSA-N 2 1 422.411 3.650 20 0 HHADMP COc1cccc([C@@H]2[C@@H](NC(=O)NCc3ccc(C[NH+](C)C)cc3)CC[N@H+]2C2CC2)c1 ZINC000483937584 996478337 /nfs/dbraw/zinc/47/83/37/996478337.db2.gz HJCSACJKJJIDRG-BJKOFHAPSA-N 2 1 422.573 3.534 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC000476041665 996561987 /nfs/dbraw/zinc/56/19/87/996561987.db2.gz HYKMDXRGTRRNEX-UKILVPOCSA-N 2 1 412.622 3.805 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000476041665 996561991 /nfs/dbraw/zinc/56/19/91/996561991.db2.gz HYKMDXRGTRRNEX-UKILVPOCSA-N 2 1 412.622 3.805 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000476041665 996561995 /nfs/dbraw/zinc/56/19/95/996561995.db2.gz HYKMDXRGTRRNEX-UKILVPOCSA-N 2 1 412.622 3.805 20 0 HHADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000484136418 996591504 /nfs/dbraw/zinc/59/15/04/996591504.db2.gz CNQPYJFCIPHTSY-NLFFAJNJSA-N 2 1 424.589 3.848 20 0 HHADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000484136418 996591509 /nfs/dbraw/zinc/59/15/09/996591509.db2.gz CNQPYJFCIPHTSY-NLFFAJNJSA-N 2 1 424.589 3.848 20 0 HHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(OCc4nccn4C)cc3)CC2)nc(C)[nH+]1 ZINC000484274446 996672481 /nfs/dbraw/zinc/67/24/81/996672481.db2.gz FAWXVLWOMFIJKY-SFHVURJKSA-N 2 1 420.561 3.726 20 0 HHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(-n4cncn4)cc3Cl)CC2)nc(C)[nH+]1 ZINC000484296122 996685967 /nfs/dbraw/zinc/68/59/67/996685967.db2.gz XEYIUPARRNPSMR-OAHLLOKOSA-N 2 1 411.941 3.647 20 0 HHADMP C[NH+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000484715898 997056191 /nfs/dbraw/zinc/05/61/91/997056191.db2.gz VIUASVGIYGHTGQ-INIZCTEOSA-N 2 1 413.393 3.551 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)C1CC1 ZINC000476629786 997151669 /nfs/dbraw/zinc/15/16/69/997151669.db2.gz GNXFKPBYWDDTNT-FGZHOGPDSA-N 2 1 410.562 3.626 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[NH+]3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)c2cc1C ZINC000476983221 997607028 /nfs/dbraw/zinc/60/70/28/997607028.db2.gz KPXIMVCWSLINQK-FYYLOGMGSA-N 2 1 412.622 3.991 20 0 HHADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3C(=O)c3ccccc3)CC[C@@H]21 ZINC000485308559 997716717 /nfs/dbraw/zinc/71/67/17/997716717.db2.gz HCEDQVYCPURJGV-OFNKIYASSA-N 2 1 405.542 3.662 20 0 HHADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3C(=O)c3ccccc3)CC[C@@H]21 ZINC000485308559 997716727 /nfs/dbraw/zinc/71/67/27/997716727.db2.gz HCEDQVYCPURJGV-OFNKIYASSA-N 2 1 405.542 3.662 20 0 HHADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3C(=O)c3ccccc3)CC[C@@H]21 ZINC000485308559 997716735 /nfs/dbraw/zinc/71/67/35/997716735.db2.gz HCEDQVYCPURJGV-OFNKIYASSA-N 2 1 405.542 3.662 20 0 HHADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3C(=O)c3ccccc3)CC[C@@H]21 ZINC000485308559 997716741 /nfs/dbraw/zinc/71/67/41/997716741.db2.gz HCEDQVYCPURJGV-OFNKIYASSA-N 2 1 405.542 3.662 20 0 HHADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@H](c3cccc(Cl)c3)[NH+]3CCCC3)CC[C@H]21 ZINC000485309385 997718999 /nfs/dbraw/zinc/71/89/99/997718999.db2.gz QLUILISEMYLTTC-HMXCVIKNSA-N 2 1 404.986 3.603 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)NC[C@@H](C3CC3)[N@H+](C)Cc3ccccc3)CC2)[nH+]1 ZINC000477094065 997748607 /nfs/dbraw/zinc/74/86/07/997748607.db2.gz XXSFNJWAVOEVCY-QHCPKHFHSA-N 2 1 421.589 3.569 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)NC[C@@H](C3CC3)[N@@H+](C)Cc3ccccc3)CC2)[nH+]1 ZINC000477094065 997748617 /nfs/dbraw/zinc/74/86/17/997748617.db2.gz XXSFNJWAVOEVCY-QHCPKHFHSA-N 2 1 421.589 3.569 20 0 HHADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000477218125 997889948 /nfs/dbraw/zinc/88/99/48/997889948.db2.gz FVTLNTWHQNUBEO-IBGZPJMESA-N 2 1 414.516 3.653 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000485486400 997939212 /nfs/dbraw/zinc/93/92/12/997939212.db2.gz CKAHXRPJYZHPIA-DNQXCXABSA-N 2 1 412.622 3.805 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000477265317 997941387 /nfs/dbraw/zinc/94/13/87/997941387.db2.gz KEEUUZJLRJXYQD-UCBGAZFYSA-N 2 1 410.606 3.842 20 0 HHADMP C[N@@H+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000477266400 997943124 /nfs/dbraw/zinc/94/31/24/997943124.db2.gz NXWYLPKJGPIVLF-AAZCMCCISA-N 2 1 418.585 3.880 20 0 HHADMP C[N@H+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000477266400 997943137 /nfs/dbraw/zinc/94/31/37/997943137.db2.gz NXWYLPKJGPIVLF-AAZCMCCISA-N 2 1 418.585 3.880 20 0 HHADMP C[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000477266400 997943147 /nfs/dbraw/zinc/94/31/47/997943147.db2.gz NXWYLPKJGPIVLF-AAZCMCCISA-N 2 1 418.585 3.880 20 0 HHADMP C[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000477266400 997943164 /nfs/dbraw/zinc/94/31/64/997943164.db2.gz NXWYLPKJGPIVLF-AAZCMCCISA-N 2 1 418.585 3.880 20 0 HHADMP Cc1nccn1C[C@H](C)CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000485501791 997957492 /nfs/dbraw/zinc/95/74/92/997957492.db2.gz XKRYYCSDXMLTJL-WTIAFYNJSA-N 2 1 409.578 3.524 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485501791 997957502 /nfs/dbraw/zinc/95/75/02/997957502.db2.gz XKRYYCSDXMLTJL-WTIAFYNJSA-N 2 1 409.578 3.524 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000485501791 997957524 /nfs/dbraw/zinc/95/75/24/997957524.db2.gz XKRYYCSDXMLTJL-WTIAFYNJSA-N 2 1 409.578 3.524 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000485623763 998070805 /nfs/dbraw/zinc/07/08/05/998070805.db2.gz HJTRQOBAHVOXGM-UHFFFAOYSA-N 2 1 420.548 3.589 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1F ZINC000477415643 998099948 /nfs/dbraw/zinc/09/99/48/998099948.db2.gz VSAQCCGWAVYBKV-FQEVSTJZSA-N 2 1 401.501 3.555 20 0 HHADMP O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000477724839 998453996 /nfs/dbraw/zinc/45/39/96/998453996.db2.gz ZEBAXQFAOFWYGR-VWLOTQADSA-N 2 1 421.585 3.884 20 0 HHADMP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000477909235 998649124 /nfs/dbraw/zinc/64/91/24/998649124.db2.gz DJOCSRSBMDYBFL-JBXUNAHCSA-N 2 1 403.570 3.596 20 0 HHADMP C[C@@H](NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486266796 998685118 /nfs/dbraw/zinc/68/51/18/998685118.db2.gz DVQMDWIXEFBCGQ-XPNTWCBSSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@@H](NC(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486266796 998685123 /nfs/dbraw/zinc/68/51/23/998685123.db2.gz DVQMDWIXEFBCGQ-XPNTWCBSSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@@H](NC(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486266796 998685126 /nfs/dbraw/zinc/68/51/26/998685126.db2.gz DVQMDWIXEFBCGQ-XPNTWCBSSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000478053709 998738465 /nfs/dbraw/zinc/73/84/65/998738465.db2.gz MWUCHVKDKNYIFM-MSOLQXFVSA-N 2 1 401.551 3.719 20 0 HHADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000478053709 998738469 /nfs/dbraw/zinc/73/84/69/998738469.db2.gz MWUCHVKDKNYIFM-MSOLQXFVSA-N 2 1 401.551 3.719 20 0 HHADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000478053709 998738471 /nfs/dbraw/zinc/73/84/71/998738471.db2.gz MWUCHVKDKNYIFM-MSOLQXFVSA-N 2 1 401.551 3.719 20 0 HHADMP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000478053715 998738695 /nfs/dbraw/zinc/73/86/95/998738695.db2.gz MWUCHVKDKNYIFM-ZWKOTPCHSA-N 2 1 401.551 3.719 20 0 HHADMP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000478053715 998738698 /nfs/dbraw/zinc/73/86/98/998738698.db2.gz MWUCHVKDKNYIFM-ZWKOTPCHSA-N 2 1 401.551 3.719 20 0 HHADMP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000478053715 998738704 /nfs/dbraw/zinc/73/87/04/998738704.db2.gz MWUCHVKDKNYIFM-ZWKOTPCHSA-N 2 1 401.551 3.719 20 0 HHADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3c(Br)cnn3C)cc2)C1 ZINC000486983217 999026965 /nfs/dbraw/zinc/02/69/65/999026965.db2.gz BXTLERZGHBRISQ-HOTGVXAUSA-N 2 1 405.384 3.950 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000478626182 999052030 /nfs/dbraw/zinc/05/20/30/999052030.db2.gz IBPMXJPIEGEBDA-HXUWFJFHSA-N 2 1 401.595 3.744 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N[C@@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)[nH+]c1 ZINC000487090977 999059819 /nfs/dbraw/zinc/05/98/19/999059819.db2.gz QOBOFVSYCYWGLA-RBBKRZOGSA-N 2 1 421.589 3.569 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N[C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)[nH+]c1 ZINC000487090977 999059824 /nfs/dbraw/zinc/05/98/24/999059824.db2.gz QOBOFVSYCYWGLA-RBBKRZOGSA-N 2 1 421.589 3.569 20 0 HHADMP C[C@H]1[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000478728849 999111138 /nfs/dbraw/zinc/11/11/38/999111138.db2.gz YKODZBWJEFXKQF-GBXCKJPGSA-N 2 1 406.574 3.745 20 0 HHADMP Cc1cnccc1OC1CCN(C(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000487282103 999123323 /nfs/dbraw/zinc/12/33/23/999123323.db2.gz OGOMKEYXRGJHGC-PMACEKPBSA-N 2 1 423.557 3.683 20 0 HHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000487508735 999202598 /nfs/dbraw/zinc/20/25/98/999202598.db2.gz LWGZTJINANOMSK-SZPZYZBQSA-N 2 1 423.601 3.808 20 0 HHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000487508735 999202601 /nfs/dbraw/zinc/20/26/01/999202601.db2.gz LWGZTJINANOMSK-SZPZYZBQSA-N 2 1 423.601 3.808 20 0 HHADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000478974670 999230135 /nfs/dbraw/zinc/23/01/35/999230135.db2.gz BPXUVTMSXBJXQL-IBGZPJMESA-N 2 1 404.352 3.607 20 0 HHADMP C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC[N@H+](C2CCC2)C1 ZINC000487813546 999299267 /nfs/dbraw/zinc/29/92/67/999299267.db2.gz AKLPGEYHIDGSAU-SFHVURJKSA-N 2 1 419.013 3.820 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NCCC2CC[NH+](C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000487946423 999324660 /nfs/dbraw/zinc/32/46/60/999324660.db2.gz BOZIPIONDIZTSS-SFTDATJTSA-N 2 1 408.537 3.520 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NCCC2CC[NH+](C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000487946423 999324668 /nfs/dbraw/zinc/32/46/68/999324668.db2.gz BOZIPIONDIZTSS-SFTDATJTSA-N 2 1 408.537 3.520 20 0 HHADMP CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000479304561 999375336 /nfs/dbraw/zinc/37/53/36/999375336.db2.gz DIPOGUVQMVRNAM-JOCHJYFZSA-N 2 1 406.574 3.679 20 0 HHADMP C[N@H+](CCC(=O)c1ccc2c(c1)OCCO2)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000488135210 999388347 /nfs/dbraw/zinc/38/83/47/999388347.db2.gz OTRGFIUYYZDREN-UHFFFAOYSA-N 2 1 409.530 3.664 20 0 HHADMP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCC[NH+]2CCc3sccc3C2)CC1 ZINC000479430021 999412648 /nfs/dbraw/zinc/41/26/48/999412648.db2.gz WPUHHLKDRYCGLC-LJQANCHMSA-N 2 1 418.651 3.792 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCC[NH+]2CCc3sccc3C2)CC1 ZINC000479430021 999412652 /nfs/dbraw/zinc/41/26/52/999412652.db2.gz WPUHHLKDRYCGLC-LJQANCHMSA-N 2 1 418.651 3.792 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000479430021 999412656 /nfs/dbraw/zinc/41/26/56/999412656.db2.gz WPUHHLKDRYCGLC-LJQANCHMSA-N 2 1 418.651 3.792 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000479430021 999412658 /nfs/dbraw/zinc/41/26/58/999412658.db2.gz WPUHHLKDRYCGLC-LJQANCHMSA-N 2 1 418.651 3.792 20 0 HHADMP CN1CCO[C@H]([C@@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccc(Cl)cc2)C1 ZINC000479452302 999424158 /nfs/dbraw/zinc/42/41/58/999424158.db2.gz ZJOCGOQLIABQFN-OYDLWJJNSA-N 2 1 413.993 3.823 20 0 HHADMP CN1CCO[C@H]([C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccc(Cl)cc2)C1 ZINC000479452302 999424159 /nfs/dbraw/zinc/42/41/59/999424159.db2.gz ZJOCGOQLIABQFN-OYDLWJJNSA-N 2 1 413.993 3.823 20 0 HHADMP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000479461065 999427467 /nfs/dbraw/zinc/42/74/67/999427467.db2.gz BESVVLJZTVNNRF-QUCCMNQESA-N 2 1 401.576 3.621 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000479466191 999429682 /nfs/dbraw/zinc/42/96/82/999429682.db2.gz YRKSQAXVJRKYLH-HXUWFJFHSA-N 2 1 400.611 3.934 20 0 HHADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1OCC(=O)N(C)C ZINC000479467638 999430224 /nfs/dbraw/zinc/43/02/24/999430224.db2.gz WGSLIKXTTAGDKC-GGAORHGYSA-N 2 1 409.574 3.716 20 0 HHADMP COC1CC[NH+](C(C)(C)CNC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000479521065 999457912 /nfs/dbraw/zinc/45/79/12/999457912.db2.gz ZFWZGHVHXCMBAZ-FQEVSTJZSA-N 2 1 422.658 3.562 20 0 HHADMP COc1c(Br)cccc1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000479553325 999474615 /nfs/dbraw/zinc/47/46/15/999474615.db2.gz JOOBHFASCOFLBK-MRXNPFEDSA-N 2 1 419.363 3.968 20 0 HHADMP COc1c(Br)cccc1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000479553325 999474616 /nfs/dbraw/zinc/47/46/16/999474616.db2.gz JOOBHFASCOFLBK-MRXNPFEDSA-N 2 1 419.363 3.968 20 0 HHADMP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H](C)C2([NH+]3CCOCC3)CCCC2)cc1 ZINC000479794147 999596504 /nfs/dbraw/zinc/59/65/04/999596504.db2.gz RZRNKSILFSFRDE-HXUWFJFHSA-N 2 1 401.595 3.682 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](C)C2([NH+]3CCOCC3)CCCC2)cc1 ZINC000479794147 999596510 /nfs/dbraw/zinc/59/65/10/999596510.db2.gz RZRNKSILFSFRDE-HXUWFJFHSA-N 2 1 401.595 3.682 20 0 HHADMP COc1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)ccc1OC(F)F ZINC000479890932 999638148 /nfs/dbraw/zinc/63/81/48/999638148.db2.gz XSAAYDDSRLNNRK-INIZCTEOSA-N 2 1 406.473 3.980 20 0 HHADMP C[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000488963841 999659000 /nfs/dbraw/zinc/65/90/00/999659000.db2.gz XDMMEHPJLMYCCR-BHUCMGRMSA-N 2 1 410.606 3.698 20 0 HHADMP C[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH+](C2CCC2)C1 ZINC000488963841 999659002 /nfs/dbraw/zinc/65/90/02/999659002.db2.gz XDMMEHPJLMYCCR-BHUCMGRMSA-N 2 1 410.606 3.698 20 0 HHADMP C[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH+](C2CCC2)C1 ZINC000488963841 999659003 /nfs/dbraw/zinc/65/90/03/999659003.db2.gz XDMMEHPJLMYCCR-BHUCMGRMSA-N 2 1 410.606 3.698 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000480084136 999712657 /nfs/dbraw/zinc/71/26/57/999712657.db2.gz JBCHWHGXEIDUHI-NIJXNBFTSA-N 2 1 411.565 3.699 20 0 HHADMP C[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000489327210 999746089 /nfs/dbraw/zinc/74/60/89/999746089.db2.gz KTBKZNJZENYBLK-OTPAQWSUSA-N 2 1 420.601 3.643 20 0 HHADMP C[C@H](CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000489327210 999746091 /nfs/dbraw/zinc/74/60/91/999746091.db2.gz KTBKZNJZENYBLK-OTPAQWSUSA-N 2 1 420.601 3.643 20 0 HHADMP C[C@H](CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000489327210 999746093 /nfs/dbraw/zinc/74/60/93/999746093.db2.gz KTBKZNJZENYBLK-OTPAQWSUSA-N 2 1 420.601 3.643 20 0 HHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc(N2CCOCC2)c1 ZINC000480238136 999753445 /nfs/dbraw/zinc/75/34/45/999753445.db2.gz ALWMXJYKIKIAPF-BDTNDASRSA-N 2 1 423.601 3.983 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCN(Cc4ccccn4)C[C@@H]3C)cc2)C[C@H](C)O1 ZINC000480239907 999753950 /nfs/dbraw/zinc/75/39/50/999753950.db2.gz GNSZAIYQVTXCER-BTKWVRSESA-N 2 1 422.617 3.691 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)[NH+](C)C)cc1 ZINC000489400162 999759314 /nfs/dbraw/zinc/75/93/14/999759314.db2.gz JNFCOBFDGSOLCC-ZTCOLXNVSA-N 2 1 408.590 3.808 20 0 HHADMP CC(C)(CC[NH+]1CCCCCC1)NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000480282696 999762426 /nfs/dbraw/zinc/76/24/26/999762426.db2.gz MHBIHMZJOANQRS-UHFFFAOYSA-N 2 1 416.610 3.728 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000489498778 999778937 /nfs/dbraw/zinc/77/89/37/999778937.db2.gz REMJPEQQLQHVHZ-PXDATVDWSA-N 2 1 420.601 3.645 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000489498778 999778938 /nfs/dbraw/zinc/77/89/38/999778938.db2.gz REMJPEQQLQHVHZ-PXDATVDWSA-N 2 1 420.601 3.645 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000489498778 999778940 /nfs/dbraw/zinc/77/89/40/999778940.db2.gz REMJPEQQLQHVHZ-PXDATVDWSA-N 2 1 420.601 3.645 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000489534021 999786453 /nfs/dbraw/zinc/78/64/53/999786453.db2.gz NJYFLSUNSJJFII-NZQKXSOJSA-N 2 1 400.611 3.660 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000489570099 999794436 /nfs/dbraw/zinc/79/44/36/999794436.db2.gz WGFRTFGPDANQFQ-UHFFFAOYSA-N 2 1 408.546 3.569 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000489581251 999796827 /nfs/dbraw/zinc/79/68/27/999796827.db2.gz GFQPGMXVVDDOBH-JPYJTQIMSA-N 2 1 412.553 3.597 20 0 HHADMP C[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000489616793 999803552 /nfs/dbraw/zinc/80/35/52/999803552.db2.gz ARDKUXQWLKECMB-LGVFNWMJSA-N 2 1 408.590 3.717 20 0 HHADMP C[C@H](CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000489616793 999803554 /nfs/dbraw/zinc/80/35/54/999803554.db2.gz ARDKUXQWLKECMB-LGVFNWMJSA-N 2 1 408.590 3.717 20 0 HHADMP C[C@H](CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000489616793 999803555 /nfs/dbraw/zinc/80/35/55/999803555.db2.gz ARDKUXQWLKECMB-LGVFNWMJSA-N 2 1 408.590 3.717 20 0 HHADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)NCC[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000489742546 999829163 /nfs/dbraw/zinc/82/91/63/999829163.db2.gz JGPRSOLCMDPXPT-SOTFAZIXSA-N 2 1 412.622 3.659 20 0 HHADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000489742546 999829164 /nfs/dbraw/zinc/82/91/64/999829164.db2.gz JGPRSOLCMDPXPT-SOTFAZIXSA-N 2 1 412.622 3.659 20 0 HHADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000489742546 999829165 /nfs/dbraw/zinc/82/91/65/999829165.db2.gz JGPRSOLCMDPXPT-SOTFAZIXSA-N 2 1 412.622 3.659 20 0 HHADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000480600801 999837691 /nfs/dbraw/zinc/83/76/91/999837691.db2.gz LVDTUCXMTBSIDA-RBUKOAKNSA-N 2 1 415.603 3.677 20 0 HHADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000480600800 999837745 /nfs/dbraw/zinc/83/77/45/999837745.db2.gz LVDTUCXMTBSIDA-OALUTQOASA-N 2 1 415.603 3.677 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000480603090 999838447 /nfs/dbraw/zinc/83/84/47/999838447.db2.gz BONYMJMIMVSADF-NTKDMRAZSA-N 2 1 409.549 3.931 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000480603090 999838449 /nfs/dbraw/zinc/83/84/49/999838449.db2.gz BONYMJMIMVSADF-NTKDMRAZSA-N 2 1 409.549 3.931 20 0 HHADMP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)cc1 ZINC000480609003 999839935 /nfs/dbraw/zinc/83/99/35/999839935.db2.gz IMBOPKNPNGRGIQ-RTBURBONSA-N 2 1 415.603 3.820 20 0 HHADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000480612506 999841007 /nfs/dbraw/zinc/84/10/07/999841007.db2.gz PCVCLOQGRHLGNT-OALUTQOASA-N 2 1 415.603 3.677 20 0 HHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000489806257 999841950 /nfs/dbraw/zinc/84/19/50/999841950.db2.gz IXRQMCPIICHCON-RUZDIDTESA-N 2 1 422.617 3.844 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000489844563 999848273 /nfs/dbraw/zinc/84/82/73/999848273.db2.gz YBABQMZSMOTRCF-ZJSXRUAMSA-N 2 1 408.590 3.670 20 0 HHADMP COCCN(C)c1ccc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)cn1 ZINC000480665494 999854454 /nfs/dbraw/zinc/85/44/54/999854454.db2.gz XRKJYAGWVILVSE-OYRHEFFESA-N 2 1 410.606 3.932 20 0 HHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480708789 999864819 /nfs/dbraw/zinc/86/48/19/999864819.db2.gz WLDFRTMIAYKAMD-FBILRYNDSA-N 2 1 407.602 3.603 20 0 HHADMP CC(C)[C@@H](CSc1ccccc1)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000490141561 999899420 /nfs/dbraw/zinc/89/94/20/999899420.db2.gz CBAGXDNKRHCHDZ-HSZRJFAPSA-N 2 1 411.615 3.981 20 0 HHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccncc2OC[C@H]2CCOC2)C3)cc1 ZINC000490328378 999937680 /nfs/dbraw/zinc/93/76/80/999937680.db2.gz QVCRYUVXGFYPKC-TWDDROGUSA-N 2 1 407.558 3.782 20 0 HHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccncc2OC[C@H]2CCOC2)C3)cc1 ZINC000490328378 999937682 /nfs/dbraw/zinc/93/76/82/999937682.db2.gz QVCRYUVXGFYPKC-TWDDROGUSA-N 2 1 407.558 3.782 20 0 HHADMP COc1ccccc1-c1ncc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cn1 ZINC000490791288 1000006623 /nfs/dbraw/zinc/00/66/23/1000006623.db2.gz DGCAMTNPVHEAIL-LJQANCHMSA-N 2 1 418.541 3.663 20 0 HHADMP COc1ccccc1-c1ncc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cn1 ZINC000490791288 1000006626 /nfs/dbraw/zinc/00/66/26/1000006626.db2.gz DGCAMTNPVHEAIL-LJQANCHMSA-N 2 1 418.541 3.663 20 0 HHADMP C[C@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[N@H+]1CCCC[C@@H]1C ZINC000490953759 1000027003 /nfs/dbraw/zinc/02/70/03/1000027003.db2.gz XBNZOTFVRRSMOR-RBUKOAKNSA-N 2 1 404.624 3.662 20 0 HHADMP C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000491025339 1000035601 /nfs/dbraw/zinc/03/56/01/1000035601.db2.gz CLHXSCQKCMJRCN-OAQYLSRUSA-N 2 1 405.586 3.804 20 0 HHADMP CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c2ccccc2C1 ZINC000491316811 1000064450 /nfs/dbraw/zinc/06/44/50/1000064450.db2.gz MSCQHUGGGPEVQX-UNVFRBQDSA-N 2 1 421.585 3.879 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000491459679 1000076936 /nfs/dbraw/zinc/07/69/36/1000076936.db2.gz SGPLREUIDUKCNZ-UHFFFAOYSA-N 2 1 424.593 3.526 20 0 HHADMP C[C@H]([NH2+]CCCCN1C(=O)c2ccccc2C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492294972 1000120355 /nfs/dbraw/zinc/12/03/55/1000120355.db2.gz TUXGDBNBLLUHJH-FPOVZHCZSA-N 2 1 405.542 3.563 20 0 HHADMP C[C@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492376909 1000124398 /nfs/dbraw/zinc/12/43/98/1000124398.db2.gz PJZLNNLADQEQSQ-HFSMHLIXSA-N 2 1 422.491 3.945 20 0 HHADMP C[C@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492462467 1000128011 /nfs/dbraw/zinc/12/80/11/1000128011.db2.gz GJIZCKMRYNHWHU-NVQXNPDNSA-N 2 1 419.613 3.968 20 0 HHADMP C[C@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492462467 1000128012 /nfs/dbraw/zinc/12/80/12/1000128012.db2.gz GJIZCKMRYNHWHU-NVQXNPDNSA-N 2 1 419.613 3.968 20 0 HHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000493965190 1000241062 /nfs/dbraw/zinc/24/10/62/1000241062.db2.gz NANVKCAYROJFII-OAQYLSRUSA-N 2 1 400.567 3.704 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000504653545 1000310557 /nfs/dbraw/zinc/31/05/57/1000310557.db2.gz DPMGVEPYTOVRPR-FGZHOGPDSA-N 2 1 414.638 3.549 20 0 HHADMP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504883916 1000426367 /nfs/dbraw/zinc/42/63/67/1000426367.db2.gz XFNMDPBWOMOLNT-RTWAWAEBSA-N 2 1 412.603 3.849 20 0 HHADMP C[C@@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000504909008 1000441538 /nfs/dbraw/zinc/44/15/38/1000441538.db2.gz NLIDSSGLFUTYBD-GBXCKJPGSA-N 2 1 406.574 3.570 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1cccs1 ZINC000505158811 1000585140 /nfs/dbraw/zinc/58/51/40/1000585140.db2.gz ATLLBDSOVLGHPN-QZTJIDSGSA-N 2 1 407.530 3.624 20 0 HHADMP CCC[N@H+](CC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1)Cc1ccccc1 ZINC000505232285 1000635082 /nfs/dbraw/zinc/63/50/82/1000635082.db2.gz JVEDNUFBSIREEP-UHFFFAOYSA-N 2 1 409.574 3.642 20 0 HHADMP CCC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1)Cc1ccccc1 ZINC000505232285 1000635083 /nfs/dbraw/zinc/63/50/83/1000635083.db2.gz JVEDNUFBSIREEP-UHFFFAOYSA-N 2 1 409.574 3.642 20 0 HHADMP CCC[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1)Cc1ccccc1 ZINC000505232285 1000635087 /nfs/dbraw/zinc/63/50/87/1000635087.db2.gz JVEDNUFBSIREEP-UHFFFAOYSA-N 2 1 409.574 3.642 20 0 HHADMP CCC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1)Cc1ccccc1 ZINC000505232285 1000635089 /nfs/dbraw/zinc/63/50/89/1000635089.db2.gz JVEDNUFBSIREEP-UHFFFAOYSA-N 2 1 409.574 3.642 20 0 HHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccc(F)cc3)cc2)CC1 ZINC000494923573 1000732142 /nfs/dbraw/zinc/73/21/42/1000732142.db2.gz LYFZBCVZEVVLJW-RDGATRHJSA-N 2 1 411.565 3.831 20 0 HHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000495330809 1000970056 /nfs/dbraw/zinc/97/00/56/1000970056.db2.gz CGNMVQQGKKLFTQ-OAQYLSRUSA-N 2 1 418.651 3.868 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc(-c2cccs2)nc1C ZINC000505785422 1001022890 /nfs/dbraw/zinc/02/28/90/1001022890.db2.gz UMRBKKHITKLUCN-MRXNPFEDSA-N 2 1 406.621 3.668 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(COc2ccccc2)cc1 ZINC000505806733 1001036477 /nfs/dbraw/zinc/03/64/77/1001036477.db2.gz KTLHGJSVNITRHI-QHCPKHFHSA-N 2 1 409.574 3.754 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccccc1Br ZINC000495698673 1001062914 /nfs/dbraw/zinc/06/29/14/1001062914.db2.gz CHXNQEOJRHXHSD-OAHLLOKOSA-N 2 1 404.352 3.591 20 0 HHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000505912452 1001096525 /nfs/dbraw/zinc/09/65/25/1001096525.db2.gz MSWMTZFTKCWDDJ-GIWBLDEGSA-N 2 1 415.647 3.890 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000505912452 1001096534 /nfs/dbraw/zinc/09/65/34/1001096534.db2.gz MSWMTZFTKCWDDJ-GIWBLDEGSA-N 2 1 415.647 3.890 20 0 HHADMP COc1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c(-c2ccccc2)cc1OC ZINC000506027647 1001173930 /nfs/dbraw/zinc/17/39/30/1001173930.db2.gz SOMIQTRYXBVYND-UHFFFAOYSA-N 2 1 409.574 3.584 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497565957 1001438140 /nfs/dbraw/zinc/43/81/40/1001438140.db2.gz GZHIQXSIYRLRAN-YKSBVNFPSA-N 2 1 412.622 3.851 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCC2(F)F)C1 ZINC000506526613 1001451493 /nfs/dbraw/zinc/45/14/93/1001451493.db2.gz QOOMTKNATIATJQ-PZJWPPBQSA-N 2 1 407.549 3.772 20 0 HHADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000506526613 1001451494 /nfs/dbraw/zinc/45/14/94/1001451494.db2.gz QOOMTKNATIATJQ-PZJWPPBQSA-N 2 1 407.549 3.772 20 0 HHADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000506526613 1001451497 /nfs/dbraw/zinc/45/14/97/1001451497.db2.gz QOOMTKNATIATJQ-PZJWPPBQSA-N 2 1 407.549 3.772 20 0 HHADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000497602305 1001454558 /nfs/dbraw/zinc/45/45/58/1001454558.db2.gz BRGKUWDMLLKFCP-HSZRJFAPSA-N 2 1 401.570 3.951 20 0 HHADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000497602305 1001454560 /nfs/dbraw/zinc/45/45/60/1001454560.db2.gz BRGKUWDMLLKFCP-HSZRJFAPSA-N 2 1 401.570 3.951 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000497690675 1001486478 /nfs/dbraw/zinc/48/64/78/1001486478.db2.gz JZONRNXROZXOCR-ILWGZMRPSA-N 2 1 412.578 3.872 20 0 HHADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)N1CCC([NH+]2CCCCC2)CC1 ZINC000506744916 1001511567 /nfs/dbraw/zinc/51/15/67/1001511567.db2.gz UQMJVTVUDCSRML-NRFANRHFSA-N 2 1 405.533 3.621 20 0 HHADMP Cc1cccc([C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C(=O)NCC2=CC[N@@H+](C)CC2)c1 ZINC000497898950 1001556053 /nfs/dbraw/zinc/55/60/53/1001556053.db2.gz KVVIZWJPBQEBAD-RPBOFIJWSA-N 2 1 403.570 3.589 20 0 HHADMP Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)NCC2=CC[NH+](C)CC2)c1 ZINC000497898950 1001556057 /nfs/dbraw/zinc/55/60/57/1001556057.db2.gz KVVIZWJPBQEBAD-RPBOFIJWSA-N 2 1 403.570 3.589 20 0 HHADMP Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)NCC2=CC[NH+](C)CC2)c1 ZINC000497898950 1001556060 /nfs/dbraw/zinc/55/60/60/1001556060.db2.gz KVVIZWJPBQEBAD-RPBOFIJWSA-N 2 1 403.570 3.589 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+]1CCc2ccccc2C1 ZINC000506922045 1001594895 /nfs/dbraw/zinc/59/48/95/1001594895.db2.gz MPHMXBZYNIRUCI-VSKRKVRLSA-N 2 1 412.622 3.729 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000506922045 1001594899 /nfs/dbraw/zinc/59/48/99/1001594899.db2.gz MPHMXBZYNIRUCI-VSKRKVRLSA-N 2 1 412.622 3.729 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)[N@H+]1CCc2ccccc2C1 ZINC000506922045 1001594904 /nfs/dbraw/zinc/59/49/04/1001594904.db2.gz MPHMXBZYNIRUCI-VSKRKVRLSA-N 2 1 412.622 3.729 20 0 HHADMP CN(C)Cc1cc(CNC(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)ccc1F ZINC000507204839 1001892652 /nfs/dbraw/zinc/89/26/52/1001892652.db2.gz LNKZXFCKRJBIOJ-GOSISDBHSA-N 2 1 413.541 3.509 20 0 HHADMP CN(C)Cc1cc(CNC(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)ccc1F ZINC000507204840 1001892957 /nfs/dbraw/zinc/89/29/57/1001892957.db2.gz LNKZXFCKRJBIOJ-SFHVURJKSA-N 2 1 413.541 3.509 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000507272854 1001956402 /nfs/dbraw/zinc/95/64/02/1001956402.db2.gz HDONMZQQIIVCIJ-NRFANRHFSA-N 2 1 409.578 3.760 20 0 HHADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1 ZINC000507413219 1002058850 /nfs/dbraw/zinc/05/88/50/1002058850.db2.gz ISMXKZNYNVMAHA-NRFANRHFSA-N 2 1 408.590 3.946 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498671567 1002064209 /nfs/dbraw/zinc/06/42/09/1002064209.db2.gz NQLWXNPMEHICHZ-WTNAPCKOSA-N 2 1 420.548 3.616 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498671567 1002064222 /nfs/dbraw/zinc/06/42/22/1002064222.db2.gz NQLWXNPMEHICHZ-WTNAPCKOSA-N 2 1 420.548 3.616 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498689924 1002077118 /nfs/dbraw/zinc/07/71/18/1002077118.db2.gz ORPRQFPOBQRUTF-VXKWHMMOSA-N 2 1 422.564 3.862 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498689924 1002077128 /nfs/dbraw/zinc/07/71/28/1002077128.db2.gz ORPRQFPOBQRUTF-VXKWHMMOSA-N 2 1 422.564 3.862 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498690005 1002077474 /nfs/dbraw/zinc/07/74/74/1002077474.db2.gz PNAHYQYPKKYKAG-YADHBBJMSA-N 2 1 420.548 3.758 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498690005 1002077484 /nfs/dbraw/zinc/07/74/84/1002077484.db2.gz PNAHYQYPKKYKAG-YADHBBJMSA-N 2 1 420.548 3.758 20 0 HHADMP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)nc2)CC1 ZINC000507510147 1002120192 /nfs/dbraw/zinc/12/01/92/1002120192.db2.gz MFAJLEHCUPPQCO-NQHRYMMQSA-N 2 1 419.617 3.935 20 0 HHADMP C/C=C\c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(OC)c1 ZINC000498851643 1002235948 /nfs/dbraw/zinc/23/59/48/1002235948.db2.gz RMXYBIIZFACNTP-HPDMECBPSA-N 2 1 416.606 3.912 20 0 HHADMP C/C=C\c1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(OC)c1 ZINC000498851643 1002235956 /nfs/dbraw/zinc/23/59/56/1002235956.db2.gz RMXYBIIZFACNTP-HPDMECBPSA-N 2 1 416.606 3.912 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000498898949 1002289805 /nfs/dbraw/zinc/28/98/05/1002289805.db2.gz UCTVBKURGSOSKR-YSZBQJHXSA-N 2 1 412.553 3.781 20 0 HHADMP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000498901020 1002292542 /nfs/dbraw/zinc/29/25/42/1002292542.db2.gz LFBZTXRTUWDKPR-GMAHTHKFSA-N 2 1 400.611 3.947 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc(Oc4ccccc4)nn3)CC2)CC1 ZINC000499057039 1002439364 /nfs/dbraw/zinc/43/93/64/1002439364.db2.gz SPSDBBBKOKVQPN-UHFFFAOYSA-N 2 1 423.605 3.897 20 0 HHADMP COc1cc([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1OCCO ZINC000499139599 1002524334 /nfs/dbraw/zinc/52/43/34/1002524334.db2.gz PUNPOAMXLKNYOL-IITNATTFSA-N 2 1 410.558 3.913 20 0 HHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H](c2ccccc2)N2CCOCC2)C3)cc1 ZINC000499162182 1002548579 /nfs/dbraw/zinc/54/85/79/1002548579.db2.gz AHROVFHJUIEVHO-SSUZURRFSA-N 2 1 405.586 3.845 20 0 HHADMP C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499194235 1002584237 /nfs/dbraw/zinc/58/42/37/1002584237.db2.gz QWTHEFDTCCTOFY-TWHAJKEOSA-N 2 1 402.542 3.570 20 0 HHADMP C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499194235 1002584242 /nfs/dbraw/zinc/58/42/42/1002584242.db2.gz QWTHEFDTCCTOFY-TWHAJKEOSA-N 2 1 402.542 3.570 20 0 HHADMP COc1ccc(CN2CC[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2=O)cc1 ZINC000499216796 1002601254 /nfs/dbraw/zinc/60/12/54/1002601254.db2.gz TVYRKDSNIKWQRW-AGDMDRQQSA-N 2 1 419.569 3.581 20 0 HHADMP COc1ccc(CN2CC[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2=O)cc1 ZINC000499216796 1002601262 /nfs/dbraw/zinc/60/12/62/1002601262.db2.gz TVYRKDSNIKWQRW-AGDMDRQQSA-N 2 1 419.569 3.581 20 0 HHADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000508560400 1003030237 /nfs/dbraw/zinc/03/02/37/1003030237.db2.gz JWCVNKVGCYLAOY-JOCHJYFZSA-N 2 1 419.560 3.915 20 0 HHADMP CCC[N@H+](CC)Cc1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000508615098 1003068712 /nfs/dbraw/zinc/06/87/12/1003068712.db2.gz OFTRUNMHJSLIFP-UHFFFAOYSA-N 2 1 401.595 3.683 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000508615098 1003068782 /nfs/dbraw/zinc/06/87/82/1003068782.db2.gz OFTRUNMHJSLIFP-UHFFFAOYSA-N 2 1 401.595 3.683 20 0 HHADMP CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000508617777 1003072120 /nfs/dbraw/zinc/07/21/20/1003072120.db2.gz ZIDKXIYFRYUQKT-MRXNPFEDSA-N 2 1 407.484 3.830 20 0 HHADMP CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000508617777 1003072108 /nfs/dbraw/zinc/07/21/08/1003072108.db2.gz ZIDKXIYFRYUQKT-MRXNPFEDSA-N 2 1 407.484 3.830 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508693803 1003131759 /nfs/dbraw/zinc/13/17/59/1003131759.db2.gz BQCJMVUHQCBEKW-PXDATVDWSA-N 2 1 401.554 3.897 20 0 HHADMP COc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)N2CCOCC2)cc1 ZINC000508722293 1003162881 /nfs/dbraw/zinc/16/28/81/1003162881.db2.gz XBPUZPKKHFTBIO-NZJKTDFXSA-N 2 1 423.601 3.569 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722660 1003163810 /nfs/dbraw/zinc/16/38/10/1003163810.db2.gz YFYOKSXVKLUOTL-NZQKXSOJSA-N 2 1 417.557 3.522 20 0 HHADMP c1ncn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000508730267 1003170434 /nfs/dbraw/zinc/17/04/34/1003170434.db2.gz OCJQYWRVAWRNRP-ISJGIBHGSA-N 2 1 401.558 3.717 20 0 HHADMP C[NH+](C)C1(CNC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000508770433 1003201511 /nfs/dbraw/zinc/20/15/11/1003201511.db2.gz OYUORAYOLMOYJU-OAQYLSRUSA-N 2 1 411.512 3.822 20 0 HHADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000499918022 1003244660 /nfs/dbraw/zinc/24/46/60/1003244660.db2.gz GYURHQRVTFAURY-XMMPIXPASA-N 2 1 409.574 3.501 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000500109757 1003472361 /nfs/dbraw/zinc/47/23/61/1003472361.db2.gz IWIFLAGTAMZMHY-YOSAUDMPSA-N 2 1 421.589 3.569 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cccs1 ZINC000509131928 1003575577 /nfs/dbraw/zinc/57/55/77/1003575577.db2.gz MBGOEUAMHYMKOC-PZJWPPBQSA-N 2 1 414.619 3.951 20 0 HHADMP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000511909367 1003884620 /nfs/dbraw/zinc/88/46/20/1003884620.db2.gz SOOCDWODNDZUNR-ZDUSSCGKSA-N 2 1 421.891 3.512 20 0 HHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(-c4cnn(C)c4)s3)cc2)CC1 ZINC000509532090 1003927718 /nfs/dbraw/zinc/92/77/18/1003927718.db2.gz HZCJUCSAICEBKK-UHFFFAOYSA-N 2 1 409.603 3.576 20 0 HHADMP COc1ccc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(Br)c1 ZINC000512055783 1003987139 /nfs/dbraw/zinc/98/71/39/1003987139.db2.gz YTSKQWWLVSNJLV-UHFFFAOYSA-N 2 1 405.340 3.623 20 0 HHADMP CCCC[NH+]1CCC(NC(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512091757 1004016661 /nfs/dbraw/zinc/01/66/61/1004016661.db2.gz VJTDYHOPKZALOV-IFMALSPDSA-N 2 1 400.611 3.851 20 0 HHADMP CC(C)(C)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000512120663 1004036987 /nfs/dbraw/zinc/03/69/87/1004036987.db2.gz HEUZJWOSWASLEM-OAQYLSRUSA-N 2 1 400.611 3.849 20 0 HHADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000500917640 1004051206 /nfs/dbraw/zinc/05/12/06/1004051206.db2.gz JOIQMGQAOMGGBQ-UHFFFAOYSA-N 2 1 423.601 3.749 20 0 HHADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000500917640 1004051215 /nfs/dbraw/zinc/05/12/15/1004051215.db2.gz JOIQMGQAOMGGBQ-UHFFFAOYSA-N 2 1 423.601 3.749 20 0 HHADMP C[C@H]1C[C@@H](CCNC(=O)NCc2cccc(C[NH+](C)C)c2)C[N@H+]1Cc1ccccc1 ZINC000509744628 1004066943 /nfs/dbraw/zinc/06/69/43/1004066943.db2.gz GMGRYIRLKAETSB-GBXCKJPGSA-N 2 1 408.590 3.848 20 0 HHADMP C[NH+]1CCC([C@H]2CCN(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)C2)CC1 ZINC000512163670 1004069221 /nfs/dbraw/zinc/06/92/21/1004069221.db2.gz GZDZRCLARSGOPN-GOTSBHOMSA-N 2 1 412.622 3.660 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000512175194 1004077316 /nfs/dbraw/zinc/07/73/16/1004077316.db2.gz KOBAGEUVOZUAIG-VXKWHMMOSA-N 2 1 400.611 3.660 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000512175194 1004077325 /nfs/dbraw/zinc/07/73/25/1004077325.db2.gz KOBAGEUVOZUAIG-VXKWHMMOSA-N 2 1 400.611 3.660 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000512175194 1004077333 /nfs/dbraw/zinc/07/73/33/1004077333.db2.gz KOBAGEUVOZUAIG-VXKWHMMOSA-N 2 1 400.611 3.660 20 0 HHADMP Cc1[nH+]ccn1CCCNC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000512221492 1004121764 /nfs/dbraw/zinc/12/17/64/1004121764.db2.gz JPDZRAHAVADQMN-UHFFFAOYSA-N 2 1 423.483 3.518 20 0 HHADMP Cc1[nH+]ccn1CCCNC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000512221492 1004121774 /nfs/dbraw/zinc/12/17/74/1004121774.db2.gz JPDZRAHAVADQMN-UHFFFAOYSA-N 2 1 423.483 3.518 20 0 HHADMP C[N@@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501029652 1004133614 /nfs/dbraw/zinc/13/36/14/1004133614.db2.gz IVBYIXHQCDDAFF-IBGZPJMESA-N 2 1 424.372 3.977 20 0 HHADMP C[C@H](NC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000501041402 1004142759 /nfs/dbraw/zinc/14/27/59/1004142759.db2.gz XRRHTDRNXUULFN-FQEVSTJZSA-N 2 1 420.601 3.986 20 0 HHADMP C[C@H](C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501060158 1004162495 /nfs/dbraw/zinc/16/24/95/1004162495.db2.gz QNUIUGYPYWHPSH-QGZVFWFLSA-N 2 1 411.512 3.685 20 0 HHADMP C[N@@H+](C[C@H](O)CO[C@H]1CCCc2ccccc21)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501067983 1004170020 /nfs/dbraw/zinc/17/00/20/1004170020.db2.gz JLQFNBRKNRXSIE-ZCYQVOJMSA-N 2 1 409.574 3.685 20 0 HHADMP Cc1ccc(F)c(N2CCC[C@H]([N@@H+](C)CC3CCN(c4cc[nH+]cc4)CC3)C2=O)c1 ZINC000501069370 1004171203 /nfs/dbraw/zinc/17/12/03/1004171203.db2.gz OLQJVALTPVJSEM-QFIPXVFZSA-N 2 1 410.537 3.873 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000501068890 1004171333 /nfs/dbraw/zinc/17/13/33/1004171333.db2.gz ASGPMOLTEHLTFH-REWPJTCUSA-N 2 1 400.611 3.660 20 0 HHADMP CCC[N@H+](CC(=O)N1CCCC[C@@H]1CC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512276027 1004176683 /nfs/dbraw/zinc/17/66/83/1004176683.db2.gz BTZAYAWAJTZNER-FQEVSTJZSA-N 2 1 401.599 3.565 20 0 HHADMP CCC[N@@H+](CC(=O)N1CCCC[C@@H]1CC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512276027 1004176693 /nfs/dbraw/zinc/17/66/93/1004176693.db2.gz BTZAYAWAJTZNER-FQEVSTJZSA-N 2 1 401.599 3.565 20 0 HHADMP CCC[N@H+](CC(=O)N(C)[C@H]1CCCC[C@H]1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512283439 1004184945 /nfs/dbraw/zinc/18/49/45/1004184945.db2.gz PQWATNJEQAJDMX-GCJKJVERSA-N 2 1 415.626 3.811 20 0 HHADMP CCC[N@@H+](CC(=O)N(C)[C@H]1CCCC[C@H]1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512283439 1004184950 /nfs/dbraw/zinc/18/49/50/1004184950.db2.gz PQWATNJEQAJDMX-GCJKJVERSA-N 2 1 415.626 3.811 20 0 HHADMP C[N@@H+](C[C@@H](O)COc1ccc(C(C)(C)C)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501082025 1004186584 /nfs/dbraw/zinc/18/65/84/1004186584.db2.gz QLGIGYGQWWASAO-HSZRJFAPSA-N 2 1 411.590 3.967 20 0 HHADMP C[N@@H+](CCC(=O)NCc1ccccc1Cl)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501089771 1004195680 /nfs/dbraw/zinc/19/56/80/1004195680.db2.gz QYSSAGLRIGGJTR-UHFFFAOYSA-N 2 1 400.954 3.590 20 0 HHADMP COc1ccc(CC[C@H]2CCCC[N@H+]2CCCN2CC[NH+](C(C)C)CC2)cc1OC ZINC000501112113 1004212980 /nfs/dbraw/zinc/21/29/80/1004212980.db2.gz YKCOBOKMACEKPN-HSZRJFAPSA-N 2 1 417.638 3.907 20 0 HHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccccc3-c3ccnn3C)cc2)CC1 ZINC000509952234 1004228987 /nfs/dbraw/zinc/22/89/87/1004228987.db2.gz CBTJJEHPMGGYOZ-UHFFFAOYSA-N 2 1 403.574 3.514 20 0 HHADMP COc1cc(C[NH2+]CCCn2cc[nH+]c2C)cc(Br)c1OC(F)F ZINC000510023482 1004271921 /nfs/dbraw/zinc/27/19/21/1004271921.db2.gz LGIYCLHNGJPZPZ-UHFFFAOYSA-N 2 1 404.255 3.744 20 0 HHADMP C[C@H]1C[C@H](CCNC(=O)N2CCC(Cc3nccn3C)CC2)C[N@H+]1Cc1ccccc1 ZINC000512418555 1004284695 /nfs/dbraw/zinc/28/46/95/1004284695.db2.gz PJAHEMMBXYQHRV-REWPJTCUSA-N 2 1 423.605 3.685 20 0 HHADMP C[C@H]1C[C@H](CCNC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512418555 1004284705 /nfs/dbraw/zinc/28/47/05/1004284705.db2.gz PJAHEMMBXYQHRV-REWPJTCUSA-N 2 1 423.605 3.685 20 0 HHADMP C[C@H]1C[C@H](CCNC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)C[N@H+]1Cc1ccccc1 ZINC000512418555 1004284716 /nfs/dbraw/zinc/28/47/16/1004284716.db2.gz PJAHEMMBXYQHRV-REWPJTCUSA-N 2 1 423.605 3.685 20 0 HHADMP CCC[NH+]1CCC(N(C)C(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512423396 1004289687 /nfs/dbraw/zinc/28/96/87/1004289687.db2.gz GIUBKDVVDJMOHE-IRLDBZIGSA-N 2 1 400.611 3.803 20 0 HHADMP CC(C)[NH+](CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(C)C ZINC000512523201 1004359594 /nfs/dbraw/zinc/35/95/94/1004359594.db2.gz FJCMUWQFHZQFRW-IBGZPJMESA-N 2 1 414.516 3.698 20 0 HHADMP CC[C@H](CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000501376571 1004376390 /nfs/dbraw/zinc/37/63/90/1004376390.db2.gz GWUOMOGDXZIKHJ-NZQKXSOJSA-N 2 1 400.611 3.777 20 0 HHADMP CC[C@H](CNC(=O)NCCCC[NH+]1CCCC[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000501376571 1004376398 /nfs/dbraw/zinc/37/63/98/1004376398.db2.gz GWUOMOGDXZIKHJ-NZQKXSOJSA-N 2 1 400.611 3.777 20 0 HHADMP CC[C@H](CNC(=O)NCCCC[NH+]1CCCC[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000501376571 1004376400 /nfs/dbraw/zinc/37/64/00/1004376400.db2.gz GWUOMOGDXZIKHJ-NZQKXSOJSA-N 2 1 400.611 3.777 20 0 HHADMP CC[C@@H](CNC(=O)NCCCC[NH+]1CCC(C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000501377962 1004376915 /nfs/dbraw/zinc/37/69/15/1004376915.db2.gz OAFRMCXPLOCTTE-QHCPKHFHSA-N 2 1 400.611 3.635 20 0 HHADMP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501387590 1004383479 /nfs/dbraw/zinc/38/34/79/1004383479.db2.gz IADCSYLSISTWLD-GMAHTHKFSA-N 2 1 400.611 3.805 20 0 HHADMP O=C(NCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccc1Cl ZINC000512621629 1004435463 /nfs/dbraw/zinc/43/54/63/1004435463.db2.gz ZXMBMPZFAXLRMX-XKCSPQBFSA-N 2 1 411.977 3.960 20 0 HHADMP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000501503361 1004472161 /nfs/dbraw/zinc/47/21/61/1004472161.db2.gz PCMKDLWAZSPFBJ-MSOLQXFVSA-N 2 1 407.002 3.724 20 0 HHADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000512701846 1004505333 /nfs/dbraw/zinc/50/53/33/1004505333.db2.gz WDUNRQPTXIWNIT-VXKWHMMOSA-N 2 1 408.590 3.651 20 0 HHADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000510399118 1004536755 /nfs/dbraw/zinc/53/67/55/1004536755.db2.gz QRGGJQFJYRCZGG-UHFFFAOYSA-N 2 1 407.514 3.621 20 0 HHADMP C[C@H](NC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000510488129 1004605307 /nfs/dbraw/zinc/60/53/07/1004605307.db2.gz GLHRRUZZLIPRSG-PZJWPPBQSA-N 2 1 412.622 3.776 20 0 HHADMP C[C@H](NC(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510488129 1004605323 /nfs/dbraw/zinc/60/53/23/1004605323.db2.gz GLHRRUZZLIPRSG-PZJWPPBQSA-N 2 1 412.622 3.776 20 0 HHADMP C[C@H](NC(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510488129 1004605330 /nfs/dbraw/zinc/60/53/30/1004605330.db2.gz GLHRRUZZLIPRSG-PZJWPPBQSA-N 2 1 412.622 3.776 20 0 HHADMP C[C@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510495392 1004613663 /nfs/dbraw/zinc/61/36/63/1004613663.db2.gz YZPKNUWXWMHEKE-UNMCSNQZSA-N 2 1 412.622 3.646 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000510508902 1004631304 /nfs/dbraw/zinc/63/13/04/1004631304.db2.gz CBJFQOUTLFNYKQ-CTNGQTDRSA-N 2 1 400.611 3.979 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510508902 1004631311 /nfs/dbraw/zinc/63/13/11/1004631311.db2.gz CBJFQOUTLFNYKQ-CTNGQTDRSA-N 2 1 400.611 3.979 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510508902 1004631315 /nfs/dbraw/zinc/63/13/15/1004631315.db2.gz CBJFQOUTLFNYKQ-CTNGQTDRSA-N 2 1 400.611 3.979 20 0 HHADMP Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)[NH+](C)C ZINC000510529055 1004659867 /nfs/dbraw/zinc/65/98/67/1004659867.db2.gz ZLYAXZVCROBFDL-HNAYVOBHSA-N 2 1 413.472 3.935 20 0 HHADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2nc(-c3ccc(F)c(F)c3)no2)CC1 ZINC000501785184 1004726024 /nfs/dbraw/zinc/72/60/24/1004726024.db2.gz KMNKLVMDHFQCRN-UHFFFAOYSA-N 2 1 408.493 3.585 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc(-c3ccc(F)c(F)c3)no2)CC1 ZINC000501785184 1004726093 /nfs/dbraw/zinc/72/60/93/1004726093.db2.gz KMNKLVMDHFQCRN-UHFFFAOYSA-N 2 1 408.493 3.585 20 0 HHADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccn(-c3c(F)cccc3F)n2)CC1 ZINC000501814247 1004753540 /nfs/dbraw/zinc/75/35/40/1004753540.db2.gz SBGHFLDAXLVHEH-UHFFFAOYSA-N 2 1 406.521 3.721 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccn(-c3c(F)cccc3F)n2)CC1 ZINC000501814247 1004753544 /nfs/dbraw/zinc/75/35/44/1004753544.db2.gz SBGHFLDAXLVHEH-UHFFFAOYSA-N 2 1 406.521 3.721 20 0 HHADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510640875 1004771736 /nfs/dbraw/zinc/77/17/36/1004771736.db2.gz WGTICQPXNQYALB-ZJOUEHCJSA-N 2 1 413.610 3.559 20 0 HHADMP Cc1csc(N2CCC([NH2+]CC3CC[NH+](Cc4nc(C)c(C)o4)CC3)CC2)n1 ZINC000513060157 1004785252 /nfs/dbraw/zinc/78/52/52/1004785252.db2.gz VQPHWXYBSZHOJM-UHFFFAOYSA-N 2 1 403.596 3.527 20 0 HHADMP O[C@]1(C[NH2+][C@H]2CCc3ccc(Br)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000510693493 1004801901 /nfs/dbraw/zinc/80/19/01/1004801901.db2.gz AZTFIWGYANLMGN-SFTDATJTSA-N 2 1 401.348 3.663 20 0 HHADMP O[C@]1(C[NH2+][C@H]2CCc3ccc(Br)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000510693493 1004801909 /nfs/dbraw/zinc/80/19/09/1004801909.db2.gz AZTFIWGYANLMGN-SFTDATJTSA-N 2 1 401.348 3.663 20 0 HHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCc4ccc(Br)cc43)cc2)CC1 ZINC000510737758 1004824903 /nfs/dbraw/zinc/82/49/03/1004824903.db2.gz PCPJPMULCKWZMQ-JOCHJYFZSA-N 2 1 414.391 3.974 20 0 HHADMP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@H]3CCC[N@H+]3Cc3ccccc3)cc2)CC1 ZINC000513216679 1004865687 /nfs/dbraw/zinc/86/56/87/1004865687.db2.gz GRRXCLPAKYCFIJ-RUZDIDTESA-N 2 1 420.601 3.611 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000510853202 1004892151 /nfs/dbraw/zinc/89/21/51/1004892151.db2.gz MCUZNWLAELWWMJ-QHCPKHFHSA-N 2 1 408.590 3.848 20 0 HHADMP CC(C)OCC[NH+]1CCC([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000513336760 1004917341 /nfs/dbraw/zinc/91/73/41/1004917341.db2.gz ZXNCLFJTWCXIKY-UHFFFAOYSA-N 2 1 411.993 3.923 20 0 HHADMP O=C([C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000513397650 1004943279 /nfs/dbraw/zinc/94/32/79/1004943279.db2.gz MTDIWJOTHZXMKC-LEWJYISDSA-N 2 1 405.533 3.621 20 0 HHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(OCCCc4ccccc4)c3)C2)CC1 ZINC000513448472 1004971174 /nfs/dbraw/zinc/97/11/74/1004971174.db2.gz SRFLFNMOWNYVNC-RUZDIDTESA-N 2 1 407.602 3.910 20 0 HHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H](Cc3ccccn3)c3cccnc3)c2)CCO1 ZINC000513539509 1005012664 /nfs/dbraw/zinc/01/26/64/1005012664.db2.gz QQQWYIVUSMPHLH-NBGIEHNGSA-N 2 1 402.542 3.771 20 0 HHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H](Cc3ccccn3)c3cccnc3)c2)CCO1 ZINC000513539509 1005012671 /nfs/dbraw/zinc/01/26/71/1005012671.db2.gz QQQWYIVUSMPHLH-NBGIEHNGSA-N 2 1 402.542 3.771 20 0 HHADMP O=C(C[N@@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000511096702 1005017256 /nfs/dbraw/zinc/01/72/56/1005017256.db2.gz QEFIENQXTYOTQW-KRWDZBQOSA-N 2 1 409.496 3.628 20 0 HHADMP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)cc1 ZINC000513573050 1005030186 /nfs/dbraw/zinc/03/01/86/1005030186.db2.gz SXODICFHTDZQET-UHFFFAOYSA-N 2 1 422.573 3.558 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc(-c4ccccn4)c3)CC2)CC1 ZINC000513647228 1005065313 /nfs/dbraw/zinc/06/53/13/1005065313.db2.gz GXGBRXSIMCRAMK-UHFFFAOYSA-N 2 1 406.574 3.515 20 0 HHADMP COc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c(-c2ccccc2)cc1OC ZINC000513690393 1005083595 /nfs/dbraw/zinc/08/35/95/1005083595.db2.gz JUWGMPCJOXIMOY-HSZRJFAPSA-N 2 1 423.601 3.973 20 0 HHADMP COc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(-c2ccccc2)cc1OC ZINC000513690393 1005083600 /nfs/dbraw/zinc/08/36/00/1005083600.db2.gz JUWGMPCJOXIMOY-HSZRJFAPSA-N 2 1 423.601 3.973 20 0 HHADMP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000511253637 1005093567 /nfs/dbraw/zinc/09/35/67/1005093567.db2.gz WPGGXNAQJDFYEK-PMACEKPBSA-N 2 1 413.610 3.603 20 0 HHADMP C[C@@H](NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511294748 1005112396 /nfs/dbraw/zinc/11/23/96/1005112396.db2.gz RVOWKWGZVKZBNA-IRLDBZIGSA-N 2 1 404.643 3.937 20 0 HHADMP C[C@@H](NC(=O)N1CCC[NH+](CC2CCCCC2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511294748 1005112400 /nfs/dbraw/zinc/11/24/00/1005112400.db2.gz RVOWKWGZVKZBNA-IRLDBZIGSA-N 2 1 404.643 3.937 20 0 HHADMP C[C@@H](NC(=O)N1CCC[NH+](CC2CCCCC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511294748 1005112404 /nfs/dbraw/zinc/11/24/04/1005112404.db2.gz RVOWKWGZVKZBNA-IRLDBZIGSA-N 2 1 404.643 3.937 20 0 HHADMP Cc1ccc(-c2noc([C@@H](C)[NH+]3CCC(CC[NH+]4CCOCC4)CC3)n2)cc1F ZINC000513816702 1005141836 /nfs/dbraw/zinc/14/18/36/1005141836.db2.gz SBIISUYNVHMSIR-QGZVFWFLSA-N 2 1 402.514 3.679 20 0 HHADMP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513818508 1005142805 /nfs/dbraw/zinc/14/28/05/1005142805.db2.gz DUFJZXFKAPNQOQ-LJQANCHMSA-N 2 1 401.595 3.573 20 0 HHADMP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513821447 1005144948 /nfs/dbraw/zinc/14/49/48/1005144948.db2.gz JBRRTVIBMMSZAQ-HXUWFJFHSA-N 2 1 401.595 3.880 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511410684 1005164454 /nfs/dbraw/zinc/16/44/54/1005164454.db2.gz PBJGSIAJAKGQQQ-DWQJTFDBSA-N 2 1 412.622 3.992 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511410684 1005164456 /nfs/dbraw/zinc/16/44/56/1005164456.db2.gz PBJGSIAJAKGQQQ-DWQJTFDBSA-N 2 1 412.622 3.992 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511410684 1005164458 /nfs/dbraw/zinc/16/44/58/1005164458.db2.gz PBJGSIAJAKGQQQ-DWQJTFDBSA-N 2 1 412.622 3.992 20 0 HHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000513871767 1005167087 /nfs/dbraw/zinc/16/70/87/1005167087.db2.gz WUECVLUJSMNYJN-UHFFFAOYSA-N 2 1 408.590 3.861 20 0 HHADMP C[N@@H+](CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CCCCC1 ZINC000514032636 1005236113 /nfs/dbraw/zinc/23/61/13/1005236113.db2.gz JIWAASYVAKFNTH-UHFFFAOYSA-N 2 1 407.002 3.868 20 0 HHADMP CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N1CC[NH+](C)CC1 ZINC000514094997 1005262907 /nfs/dbraw/zinc/26/29/07/1005262907.db2.gz PGXGSODEMWYUTI-ZJSPYRCASA-N 3 1 412.666 3.539 20 0 HHADMP CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N1CCN(C)CC1 ZINC000514094997 1005262912 /nfs/dbraw/zinc/26/29/12/1005262912.db2.gz PGXGSODEMWYUTI-ZJSPYRCASA-N 2 1 412.666 3.539 20 0 HHADMP CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N1CCN(C)CC1 ZINC000514094997 1005262917 /nfs/dbraw/zinc/26/29/17/1005262917.db2.gz PGXGSODEMWYUTI-ZJSPYRCASA-N 2 1 412.666 3.539 20 0 HHADMP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000502897376 1005264823 /nfs/dbraw/zinc/26/48/23/1005264823.db2.gz ZBBLVNDEQLUOIY-SFTDATJTSA-N 2 1 418.601 3.801 20 0 HHADMP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000502897376 1005264827 /nfs/dbraw/zinc/26/48/27/1005264827.db2.gz ZBBLVNDEQLUOIY-SFTDATJTSA-N 2 1 418.601 3.801 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000514107626 1005268528 /nfs/dbraw/zinc/26/85/28/1005268528.db2.gz NXYLPCOPUBFPAS-SZPZYZBQSA-N 2 1 414.638 3.956 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000514119153 1005274490 /nfs/dbraw/zinc/27/44/90/1005274490.db2.gz RNDKQLCYJLHTPM-VQTJNVASSA-N 2 1 406.640 3.771 20 0 HHADMP C[C@H]1CCC[NH+](CCCCNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000514119153 1005274493 /nfs/dbraw/zinc/27/44/93/1005274493.db2.gz RNDKQLCYJLHTPM-VQTJNVASSA-N 2 1 406.640 3.771 20 0 HHADMP C[C@H]1CCC[NH+](CCCCNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000514119153 1005274496 /nfs/dbraw/zinc/27/44/96/1005274496.db2.gz RNDKQLCYJLHTPM-VQTJNVASSA-N 2 1 406.640 3.771 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000514131437 1005281312 /nfs/dbraw/zinc/28/13/12/1005281312.db2.gz YGJYVGZDGZTILX-QFIPXVFZSA-N 2 1 406.574 3.782 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000502937815 1005283249 /nfs/dbraw/zinc/28/32/49/1005283249.db2.gz FCMRQUSHNVFTOV-OYRHEFFESA-N 2 1 400.611 3.660 20 0 HHADMP CO[C@H](C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)c1ccc(Cl)cc1 ZINC000514142692 1005286814 /nfs/dbraw/zinc/28/68/14/1005286814.db2.gz VLJHESFFLLGTRY-NPPFBWRTSA-N 2 1 410.986 3.618 20 0 HHADMP CO[C@H](C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccc(Cl)cc1 ZINC000514142690 1005286886 /nfs/dbraw/zinc/28/68/86/1005286886.db2.gz VLJHESFFLLGTRY-JBYIUTFZSA-N 2 1 410.986 3.618 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000502948985 1005288685 /nfs/dbraw/zinc/28/86/85/1005288685.db2.gz KUMADVSITXEVRR-NRFANRHFSA-N 2 1 400.611 3.947 20 0 HHADMP C[C@@H]1CC[N@H+](C)CCN1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000502964933 1005294931 /nfs/dbraw/zinc/29/49/31/1005294931.db2.gz LMPKQVBNICOXRK-NQIIRXRSSA-N 2 1 412.603 3.583 20 0 HHADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000502964933 1005294935 /nfs/dbraw/zinc/29/49/35/1005294935.db2.gz LMPKQVBNICOXRK-NQIIRXRSSA-N 2 1 412.603 3.583 20 0 HHADMP C[C@@H]1CC[NH+](C)CCN1C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000502964933 1005294939 /nfs/dbraw/zinc/29/49/39/1005294939.db2.gz LMPKQVBNICOXRK-NQIIRXRSSA-N 2 1 412.603 3.583 20 0 HHADMP C[C@@H]1CC[NH+](C)CCN1C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000502964933 1005294943 /nfs/dbraw/zinc/29/49/43/1005294943.db2.gz LMPKQVBNICOXRK-NQIIRXRSSA-N 2 1 412.603 3.583 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCC1 ZINC000514178668 1005299918 /nfs/dbraw/zinc/29/99/18/1005299918.db2.gz AJRPCZFSYYUXRE-TZIWHRDSSA-N 2 1 416.610 3.642 20 0 HHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000514183305 1005301684 /nfs/dbraw/zinc/30/16/84/1005301684.db2.gz TZNKURFWRPQXSU-HKUYNNGSSA-N 2 1 403.596 3.662 20 0 HHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000514233594 1005324556 /nfs/dbraw/zinc/32/45/56/1005324556.db2.gz CCEPOAZYDKDEGB-DEOSSOPVSA-N 2 1 403.526 3.517 20 0 HHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000503049954 1005327673 /nfs/dbraw/zinc/32/76/73/1005327673.db2.gz CDYXUBVXZWXURH-XMMPIXPASA-N 2 1 408.521 3.901 20 0 HHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000503049954 1005327677 /nfs/dbraw/zinc/32/76/77/1005327677.db2.gz CDYXUBVXZWXURH-XMMPIXPASA-N 2 1 408.521 3.901 20 0 HHADMP C[N@H+]1CCC[C@H]1CCN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000503052411 1005328892 /nfs/dbraw/zinc/32/88/92/1005328892.db2.gz KZALHNZCFZMBLE-VWLOTQADSA-N 2 1 407.602 3.895 20 0 HHADMP C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)CC[C@H]3CCCC[N@H+]3C)cc2)C[C@H]1C ZINC000503430493 1005418149 /nfs/dbraw/zinc/41/81/49/1005418149.db2.gz RTLHGXFNZBASFD-MQSCRBSSSA-N 2 1 415.622 3.576 20 0 HHADMP C[NH+](C)C1(CNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCCCCC1 ZINC000503458947 1005426588 /nfs/dbraw/zinc/42/65/88/1005426588.db2.gz HXKJWLHPRQADDZ-JOCHJYFZSA-N 2 1 400.611 3.505 20 0 HHADMP CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[NH+](C)C)cc1 ZINC000503496493 1005437075 /nfs/dbraw/zinc/43/70/75/1005437075.db2.gz AELGUIYGNZLOBB-UKILVPOCSA-N 2 1 422.617 3.716 20 0 HHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000503723154 1005485966 /nfs/dbraw/zinc/48/59/66/1005485966.db2.gz GEEHAQDMGJDROV-OAQYLSRUSA-N 2 1 408.590 3.686 20 0 HHADMP CCc1nc(C[NH+]2CCC(CNC(=O)N(C)CC[NH+](C(C)C)C(C)C)CC2)cs1 ZINC000503943558 1005516734 /nfs/dbraw/zinc/51/67/34/1005516734.db2.gz FINIHHOVZZHIDD-UHFFFAOYSA-N 2 1 423.671 3.678 20 0 HHADMP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)c2)CC1 ZINC000504199135 1005571881 /nfs/dbraw/zinc/57/18/81/1005571881.db2.gz JXANHIHTPQMOBQ-XMMPIXPASA-N 2 1 406.574 3.820 20 0 HHADMP Cc1ccc(C2CC[NH+](CC(=O)N3CCC[N@H+](Cc4ccccc4C)CC3)CC2)cn1 ZINC000514409110 1005976156 /nfs/dbraw/zinc/97/61/56/1005976156.db2.gz GLIXXZGSZMTXSK-UHFFFAOYSA-N 2 1 420.601 3.612 20 0 HHADMP Cc1ccc(C2CC[NH+](CC(=O)N3CCC[N@@H+](Cc4ccccc4C)CC3)CC2)cn1 ZINC000514409110 1005976167 /nfs/dbraw/zinc/97/61/67/1005976167.db2.gz GLIXXZGSZMTXSK-UHFFFAOYSA-N 2 1 420.601 3.612 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)[NH+]1CCCC1 ZINC000514439096 1005991424 /nfs/dbraw/zinc/99/14/24/1005991424.db2.gz ZJDKZEREVNCLCB-XZOQPEGZSA-N 2 1 422.573 3.530 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)[NH+]1CCCC1 ZINC000514439096 1005991429 /nfs/dbraw/zinc/99/14/29/1005991429.db2.gz ZJDKZEREVNCLCB-XZOQPEGZSA-N 2 1 422.573 3.530 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)[NH+]1CCCC1 ZINC000514439094 1005991694 /nfs/dbraw/zinc/99/16/94/1005991694.db2.gz ZJDKZEREVNCLCB-GOTSBHOMSA-N 2 1 422.573 3.530 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)[NH+]1CCCC1 ZINC000514439094 1005991700 /nfs/dbraw/zinc/99/17/00/1005991700.db2.gz ZJDKZEREVNCLCB-GOTSBHOMSA-N 2 1 422.573 3.530 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000514566915 1006039560 /nfs/dbraw/zinc/03/95/60/1006039560.db2.gz YUDGGRDCDPZITE-DEOSSOPVSA-N 2 1 424.564 3.880 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000514566915 1006039573 /nfs/dbraw/zinc/03/95/73/1006039573.db2.gz YUDGGRDCDPZITE-DEOSSOPVSA-N 2 1 424.564 3.880 20 0 HHADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000514833561 1006163964 /nfs/dbraw/zinc/16/39/64/1006163964.db2.gz JEGDJVJJZPNIIG-DQEYMECFSA-N 2 1 420.601 3.712 20 0 HHADMP O=C(NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000514833561 1006163977 /nfs/dbraw/zinc/16/39/77/1006163977.db2.gz JEGDJVJJZPNIIG-DQEYMECFSA-N 2 1 420.601 3.712 20 0 HHADMP O=C(NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000514833561 1006163984 /nfs/dbraw/zinc/16/39/84/1006163984.db2.gz JEGDJVJJZPNIIG-DQEYMECFSA-N 2 1 420.601 3.712 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000531395445 1006171305 /nfs/dbraw/zinc/17/13/05/1006171305.db2.gz KVXKYYIATSRBLA-NFBKMPQASA-N 2 1 400.611 3.659 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000531395445 1006171309 /nfs/dbraw/zinc/17/13/09/1006171309.db2.gz KVXKYYIATSRBLA-NFBKMPQASA-N 2 1 400.611 3.659 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000531395445 1006171318 /nfs/dbraw/zinc/17/13/18/1006171318.db2.gz KVXKYYIATSRBLA-NFBKMPQASA-N 2 1 400.611 3.659 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2cccc3cccnc32)CC1)Cc1ccccc1 ZINC000531405935 1006176877 /nfs/dbraw/zinc/17/68/77/1006176877.db2.gz HBMBRWFGZBNBCB-UHFFFAOYSA-N 2 1 416.569 3.695 20 0 HHADMP Cc1ccc(-c2noc(C[N@@H+](C)CCC3CC[NH+](C4CCN(C)CC4)CC3)n2)cc1 ZINC000531426635 1006187132 /nfs/dbraw/zinc/18/71/32/1006187132.db2.gz QZQQXNPTLTVQIS-UHFFFAOYSA-N 2 1 411.594 3.673 20 0 HHADMP Cc1ccc(-c2noc(C[N@H+](C)CCC3CC[NH+](C4CCN(C)CC4)CC3)n2)cc1 ZINC000531426635 1006187137 /nfs/dbraw/zinc/18/71/37/1006187137.db2.gz QZQQXNPTLTVQIS-UHFFFAOYSA-N 2 1 411.594 3.673 20 0 HHADMP C/C(=C\c1ccccc1OC(F)F)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000514895811 1006195271 /nfs/dbraw/zinc/19/52/71/1006195271.db2.gz DGWXUZDRDDVSNS-MNXCODBNSA-N 2 1 405.533 3.934 20 0 HHADMP C/C(=C\c1ccccc1OC(F)F)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000514895811 1006195279 /nfs/dbraw/zinc/19/52/79/1006195279.db2.gz DGWXUZDRDDVSNS-MNXCODBNSA-N 2 1 405.533 3.934 20 0 HHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534205378 1006197508 /nfs/dbraw/zinc/19/75/08/1006197508.db2.gz ZUDMVVLGTMHECQ-SYNHAJSKSA-N 2 1 410.965 3.501 20 0 HHADMP CC(C)[NH+]1CC[C@H](CNC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534205378 1006197515 /nfs/dbraw/zinc/19/75/15/1006197515.db2.gz ZUDMVVLGTMHECQ-SYNHAJSKSA-N 2 1 410.965 3.501 20 0 HHADMP CC(C)[NH+]1CC[C@H](CNC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534205378 1006197518 /nfs/dbraw/zinc/19/75/18/1006197518.db2.gz ZUDMVVLGTMHECQ-SYNHAJSKSA-N 2 1 410.965 3.501 20 0 HHADMP C[C@H](CNC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C[NH+]1CCCC1 ZINC000534207379 1006200536 /nfs/dbraw/zinc/20/05/36/1006200536.db2.gz XAJNVNCZLRBBQW-MDYRTPRTSA-N 2 1 410.965 3.503 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534249343 1006257549 /nfs/dbraw/zinc/25/75/49/1006257549.db2.gz CYKDAIBWZORHQB-RXVVDRJESA-N 2 1 424.992 3.893 20 0 HHADMP CC[C@@H](C)n1ncc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)c1C1CC1 ZINC000534252041 1006260555 /nfs/dbraw/zinc/26/05/55/1006260555.db2.gz SBPNFMRMCNBBDN-MJGOQNOKSA-N 2 1 404.603 3.611 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000534253196 1006261749 /nfs/dbraw/zinc/26/17/49/1006261749.db2.gz UVQKGIWVQYHIMH-QFIPXVFZSA-N 2 1 419.491 3.819 20 0 HHADMP CC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccc1OCC(=O)N1CCCC1 ZINC000531699865 1006362968 /nfs/dbraw/zinc/36/29/68/1006362968.db2.gz OZDRSWPPEJNLGP-NRFANRHFSA-N 2 1 401.595 3.991 20 0 HHADMP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1Cl ZINC000531719785 1006377701 /nfs/dbraw/zinc/37/77/01/1006377701.db2.gz PQMPQXDMWGCJLA-JXFKEZNVSA-N 2 1 415.965 3.897 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000531725988 1006381378 /nfs/dbraw/zinc/38/13/78/1006381378.db2.gz WJTWVXPNNLOXAV-IPJJNNNSSA-N 2 1 415.603 3.641 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000531725988 1006381388 /nfs/dbraw/zinc/38/13/88/1006381388.db2.gz WJTWVXPNNLOXAV-IPJJNNNSSA-N 2 1 415.603 3.641 20 0 HHADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)CC[C@H]21 ZINC000531738869 1006390337 /nfs/dbraw/zinc/39/03/37/1006390337.db2.gz CLNBIIAZQBAOGW-UIFIKXQLSA-N 2 1 404.986 3.603 20 0 HHADMP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1OCc1ccccc1 ZINC000531759440 1006403672 /nfs/dbraw/zinc/40/36/72/1006403672.db2.gz RAPIRMHDEDVQMF-GOTSBHOMSA-N 2 1 410.558 3.742 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000531885194 1006499064 /nfs/dbraw/zinc/49/90/64/1006499064.db2.gz KYSREZFDOPIAQU-WOJBJXKFSA-N 2 1 400.611 3.659 20 0 HHADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531932202 1006528974 /nfs/dbraw/zinc/52/89/74/1006528974.db2.gz IUDWJBBSKZDFHC-WIYYLYMNSA-N 2 1 414.619 3.606 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)cc1 ZINC000531943190 1006535630 /nfs/dbraw/zinc/53/56/30/1006535630.db2.gz XNILQWBGRCHBJI-LJQANCHMSA-N 2 1 417.557 3.934 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000515576300 1006544678 /nfs/dbraw/zinc/54/46/78/1006544678.db2.gz OUPJTXNZGBAFMX-JKSUJKDBSA-N 2 1 405.329 3.882 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000531963160 1006548790 /nfs/dbraw/zinc/54/87/90/1006548790.db2.gz MYZOWRKKGXXNKK-HXUWFJFHSA-N 2 1 417.557 3.570 20 0 HHADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000531976293 1006556122 /nfs/dbraw/zinc/55/61/22/1006556122.db2.gz WLNVPZUOADQIBC-FDDCHVKYSA-N 2 1 415.965 3.592 20 0 HHADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000531976293 1006556133 /nfs/dbraw/zinc/55/61/33/1006556133.db2.gz WLNVPZUOADQIBC-FDDCHVKYSA-N 2 1 415.965 3.592 20 0 HHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](c3ccccc3)C3CCC3)CC2)cc1 ZINC000538353173 1006621172 /nfs/dbraw/zinc/62/11/72/1006621172.db2.gz BXMZJGJGMHQWGK-SANMLTNESA-N 2 1 421.585 3.861 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](c3ccccc3)C3CCC3)CC2)cc1 ZINC000538353173 1006621176 /nfs/dbraw/zinc/62/11/76/1006621176.db2.gz BXMZJGJGMHQWGK-SANMLTNESA-N 2 1 421.585 3.861 20 0 HHADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cnn(Cc2ccccc2)c1 ZINC000532187961 1006706453 /nfs/dbraw/zinc/70/64/53/1006706453.db2.gz PKHVGLARDOOCRJ-KNQAVFIVSA-N 2 1 409.603 3.632 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000534720391 1006707031 /nfs/dbraw/zinc/70/70/31/1006707031.db2.gz ADVJBVANPOEKQQ-BJKOFHAPSA-N 2 1 406.574 3.738 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000515844654 1006713647 /nfs/dbraw/zinc/71/36/47/1006713647.db2.gz KDNYVBKHKQQAED-BGYRXZFFSA-N 2 1 406.590 3.657 20 0 HHADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000532232290 1006737790 /nfs/dbraw/zinc/73/77/90/1006737790.db2.gz DVDZPOOYTWBCRW-JPYJTQIMSA-N 2 1 415.965 3.592 20 0 HHADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000532232290 1006737803 /nfs/dbraw/zinc/73/78/03/1006737803.db2.gz DVDZPOOYTWBCRW-JPYJTQIMSA-N 2 1 415.965 3.592 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2cccc(-n3cccn3)c2)c1)C1CCOCC1 ZINC000532376200 1006832182 /nfs/dbraw/zinc/83/21/82/1006832182.db2.gz QVFOKLUVZNBCBY-UHFFFAOYSA-N 2 1 420.557 3.652 20 0 HHADMP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000532440750 1006882857 /nfs/dbraw/zinc/88/28/57/1006882857.db2.gz YDQJRTPFVGTBLY-SFHVURJKSA-N 2 1 407.624 3.775 20 0 HHADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 ZINC000532451613 1006893334 /nfs/dbraw/zinc/89/33/34/1006893334.db2.gz ILOUKTLMSANAHJ-GOSISDBHSA-N 2 1 419.591 3.529 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)CC1 ZINC000516207011 1006944778 /nfs/dbraw/zinc/94/47/78/1006944778.db2.gz LOVWXLGRIIYFQX-UHFFFAOYSA-N 2 1 403.530 3.836 20 0 HHADMP CC1CC[NH+](C[C@@H]2CCCN(CC[N@@H+]3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)C2)CC1 ZINC000532512100 1006950296 /nfs/dbraw/zinc/95/02/96/1006950296.db2.gz VSCVSEXCYTWUMT-CLJLJLNGSA-N 3 1 418.714 3.874 20 0 HHADMP CC1CC[NH+](C[C@@H]2CCCN(CC[N@H+]3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)C2)CC1 ZINC000532512100 1006950307 /nfs/dbraw/zinc/95/03/07/1006950307.db2.gz VSCVSEXCYTWUMT-CLJLJLNGSA-N 3 1 418.714 3.874 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H](C)C[N@@H+]3C[C@H](C)C[C@H](C)C3)c(C)c2)CC1 ZINC000516233230 1006965060 /nfs/dbraw/zinc/96/50/60/1006965060.db2.gz RGZXZBSBIAUKNP-ZVDOUQERSA-N 2 1 415.626 3.625 20 0 HHADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000516242085 1006970352 /nfs/dbraw/zinc/97/03/52/1006970352.db2.gz BDVNZVGMKQKDAU-KZNAEPCWSA-N 2 1 422.564 3.595 20 0 HHADMP C[NH+](C)C1(CNC(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCCC1 ZINC000534943340 1006985453 /nfs/dbraw/zinc/98/54/53/1006985453.db2.gz UHXBRLPIGQLWBI-APWZRJJASA-N 2 1 410.965 3.646 20 0 HHADMP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534967991 1007022044 /nfs/dbraw/zinc/02/20/44/1007022044.db2.gz WHCCEDHNNQCIRZ-LJQANCHMSA-N 2 1 421.541 3.730 20 0 HHADMP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534967991 1007022056 /nfs/dbraw/zinc/02/20/56/1007022056.db2.gz WHCCEDHNNQCIRZ-LJQANCHMSA-N 2 1 421.541 3.730 20 0 HHADMP CC(C)[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534971360 1007028069 /nfs/dbraw/zinc/02/80/69/1007028069.db2.gz NEQBLDXFNHGDFQ-UZLBHIALSA-N 2 1 410.965 3.644 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1F ZINC000534980553 1007039305 /nfs/dbraw/zinc/03/93/05/1007039305.db2.gz WQKCSUMAEPHHEQ-GOSISDBHSA-N 2 1 418.582 3.660 20 0 HHADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3nc4ccc(Cl)cc4n3C)CC2)C[C@H](C)O1 ZINC000538763605 1007048433 /nfs/dbraw/zinc/04/84/33/1007048433.db2.gz MSLPYHGKYBSJLI-CALCHBBNSA-N 2 1 404.986 3.938 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3nc4ccc(Cl)cc4n3C)CC2)C[C@H](C)O1 ZINC000538763605 1007048446 /nfs/dbraw/zinc/04/84/46/1007048446.db2.gz MSLPYHGKYBSJLI-CALCHBBNSA-N 2 1 404.986 3.938 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534991204 1007051521 /nfs/dbraw/zinc/05/15/21/1007051521.db2.gz CLBLDTBDCKSYGA-SYNHAJSKSA-N 2 1 410.965 3.503 20 0 HHADMP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534991204 1007051534 /nfs/dbraw/zinc/05/15/34/1007051534.db2.gz CLBLDTBDCKSYGA-SYNHAJSKSA-N 2 1 410.965 3.503 20 0 HHADMP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534991204 1007051544 /nfs/dbraw/zinc/05/15/44/1007051544.db2.gz CLBLDTBDCKSYGA-SYNHAJSKSA-N 2 1 410.965 3.503 20 0 HHADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000534997509 1007058005 /nfs/dbraw/zinc/05/80/05/1007058005.db2.gz MWMZJOSDBPWKDX-WOJBJXKFSA-N 2 1 417.619 3.665 20 0 HHADMP CCC[N@H+](Cc1cc(C(=O)OC)c(C)o1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000532708853 1007122223 /nfs/dbraw/zinc/12/22/23/1007122223.db2.gz HFIWRZKYOBMVOS-UHFFFAOYSA-N 2 1 400.523 3.662 20 0 HHADMP CCC[N@@H+](Cc1cc(C(=O)OC)c(C)o1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000532708853 1007122230 /nfs/dbraw/zinc/12/22/30/1007122230.db2.gz HFIWRZKYOBMVOS-UHFFFAOYSA-N 2 1 400.523 3.662 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000516581644 1007166484 /nfs/dbraw/zinc/16/64/84/1007166484.db2.gz HNHRFVTWCULQJE-DENIHFKCSA-N 2 1 412.553 3.734 20 0 HHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1)CC1CC1 ZINC000538909630 1007193305 /nfs/dbraw/zinc/19/33/05/1007193305.db2.gz XABQHAYLYLSXBO-QHCPKHFHSA-N 2 1 418.601 3.972 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000516625009 1007200648 /nfs/dbraw/zinc/20/06/48/1007200648.db2.gz LJLLPKVLZQRWMP-UHFFFAOYSA-N 2 1 409.317 3.548 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000535178784 1007224709 /nfs/dbraw/zinc/22/47/09/1007224709.db2.gz MYHYCBVSCYACRJ-HSZRJFAPSA-N 2 1 424.589 3.785 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000535178784 1007224718 /nfs/dbraw/zinc/22/47/18/1007224718.db2.gz MYHYCBVSCYACRJ-HSZRJFAPSA-N 2 1 424.589 3.785 20 0 HHADMP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538942343 1007225414 /nfs/dbraw/zinc/22/54/14/1007225414.db2.gz DHGRBGRWUWHMFT-NRFANRHFSA-N 2 1 408.590 3.975 20 0 HHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000535181589 1007227244 /nfs/dbraw/zinc/22/72/44/1007227244.db2.gz MLRHASKSTYBFRI-YKSBVNFPSA-N 2 1 412.622 3.934 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1nc2ccccc2s1 ZINC000538944139 1007228605 /nfs/dbraw/zinc/22/86/05/1007228605.db2.gz NFRCYUAAQYZILS-UHFFFAOYSA-N 2 1 409.559 3.868 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000516684500 1007231243 /nfs/dbraw/zinc/23/12/43/1007231243.db2.gz FLMUDSDCCDSELJ-SVFBPWRDSA-N 2 1 400.611 3.625 20 0 HHADMP Cc1sc2nc(C[NH+]3CCC(CC[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)nc(N)c2c1C ZINC000538966926 1007258114 /nfs/dbraw/zinc/25/81/14/1007258114.db2.gz MMBJSOSNWGSRPC-HUUCEWRRSA-N 2 1 417.623 3.602 20 0 HHADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000516765780 1007279624 /nfs/dbraw/zinc/27/96/24/1007279624.db2.gz QNJQKUUXHFLGTM-IFMALSPDSA-N 2 1 413.537 3.974 20 0 HHADMP CC(C)c1ccc(OC2CC[NH+](CC(=O)NC3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000532919702 1007291415 /nfs/dbraw/zinc/29/14/15/1007291415.db2.gz GAIXWSUSDIULIO-UHFFFAOYSA-N 2 1 401.595 3.642 20 0 HHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000539062470 1007355758 /nfs/dbraw/zinc/35/57/58/1007355758.db2.gz XOUXPIMHUZZEOX-GBESFXJTSA-N 2 1 409.368 3.630 20 0 HHADMP Cc1c([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000539072105 1007363404 /nfs/dbraw/zinc/36/34/04/1007363404.db2.gz CSJOSHKLMVLNPK-BBWFWOEESA-N 2 1 405.974 3.769 20 0 HHADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1nc2ccc(Cl)cc2n1C ZINC000539161354 1007460533 /nfs/dbraw/zinc/46/05/33/1007460533.db2.gz MNTYIJRMUIDZLG-HNAYVOBHSA-N 2 1 418.010 3.928 20 0 HHADMP COc1cccc([C@H](C)[NH2+]CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000539228694 1007521578 /nfs/dbraw/zinc/52/15/78/1007521578.db2.gz FRGDLDPVYVCXBX-JTSKRJEESA-N 2 1 415.965 3.953 20 0 HHADMP CN(c1ccccc1CNc1ccc(CN2CC[NH+](C)CC2)cc1)C1CC[NH+](C)CC1 ZINC000533212218 1007539849 /nfs/dbraw/zinc/53/98/49/1007539849.db2.gz HSPBPYKIIWCSLH-UHFFFAOYSA-N 2 1 421.633 3.577 20 0 HHADMP C[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000535503058 1007559281 /nfs/dbraw/zinc/55/92/81/1007559281.db2.gz CDQXUAVNISHWFU-SFTDATJTSA-N 2 1 404.986 3.791 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000535503058 1007559287 /nfs/dbraw/zinc/55/92/87/1007559287.db2.gz CDQXUAVNISHWFU-SFTDATJTSA-N 2 1 404.986 3.791 20 0 HHADMP CC(C[NH+]1CCC(C(=O)OC(C)(C)C)CC1)C[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000533262856 1007579145 /nfs/dbraw/zinc/57/91/45/1007579145.db2.gz ZXSRDMQTRDZDNN-UHFFFAOYSA-N 2 1 424.626 3.730 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000533271572 1007586176 /nfs/dbraw/zinc/58/61/76/1007586176.db2.gz ZVYIHIBECFXMDG-UHFFFAOYSA-N 2 1 411.594 3.870 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1F ZINC000535673457 1007694270 /nfs/dbraw/zinc/69/42/70/1007694270.db2.gz ZAFXAWVWZQGOGR-UWJYYQICSA-N 2 1 418.582 3.831 20 0 HHADMP C[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535676333 1007701949 /nfs/dbraw/zinc/70/19/49/1007701949.db2.gz QFXKXPKEEUNBRW-HXUWFJFHSA-N 2 1 409.549 3.819 20 0 HHADMP CCc1ccc(CNC(=O)C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)s1 ZINC000535680692 1007709364 /nfs/dbraw/zinc/70/93/64/1007709364.db2.gz OOLYSJBUTHQVPS-UHFFFAOYSA-N 2 1 411.615 3.915 20 0 HHADMP CCc1ccc(CNC(=O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)s1 ZINC000535680692 1007709380 /nfs/dbraw/zinc/70/93/80/1007709380.db2.gz OOLYSJBUTHQVPS-UHFFFAOYSA-N 2 1 411.615 3.915 20 0 HHADMP Cc1oc2nc(C[NH+]3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)nc(N)c2c1C ZINC000535680937 1007709847 /nfs/dbraw/zinc/70/98/47/1007709847.db2.gz PUIYPXDHVKOQCR-UHFFFAOYSA-N 2 1 405.546 3.910 20 0 HHADMP Cc1oc2nc(C[NH+]3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)nc(N)c2c1C ZINC000535680937 1007709860 /nfs/dbraw/zinc/70/98/60/1007709860.db2.gz PUIYPXDHVKOQCR-UHFFFAOYSA-N 2 1 405.546 3.910 20 0 HHADMP C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000533416074 1007723583 /nfs/dbraw/zinc/72/35/83/1007723583.db2.gz GZWCPMSEAOHRKL-VAMGGRTRSA-N 2 1 409.574 3.988 20 0 HHADMP CC(C)(C)[NH+]1CCC(NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000535697343 1007732916 /nfs/dbraw/zinc/73/29/16/1007732916.db2.gz AFEHFROJKJLOGK-UHFFFAOYSA-N 2 1 412.622 3.947 20 0 HHADMP CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535699949 1007735640 /nfs/dbraw/zinc/73/56/40/1007735640.db2.gz KVSINEKRAILDBA-OXQOHEQNSA-N 2 1 410.965 3.644 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(OC[C@@H]4CCCO4)cc3)CC2)C[C@H](C)O1 ZINC000535826650 1007841926 /nfs/dbraw/zinc/84/19/26/1007841926.db2.gz LHLHPKNPJBYKDC-ROKPMTFOSA-N 2 1 402.579 3.566 20 0 HHADMP Cc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)NCc1ccc(C[NH+]3CCCC3)cc1)CCC2 ZINC000533522599 1007842955 /nfs/dbraw/zinc/84/29/55/1007842955.db2.gz IUAHJFCYVDCFSK-NRFANRHFSA-N 2 1 412.603 3.673 20 0 HHADMP Cc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)NCc1ccc(C[NH+]3CCCC3)cc1)CCC2 ZINC000533522599 1007842961 /nfs/dbraw/zinc/84/29/61/1007842961.db2.gz IUAHJFCYVDCFSK-NRFANRHFSA-N 2 1 412.603 3.673 20 0 HHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000517642183 1007852611 /nfs/dbraw/zinc/85/26/11/1007852611.db2.gz MYFMURLKOKAAFQ-QHAWAJNXSA-N 2 1 415.622 3.926 20 0 HHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000517642183 1007852617 /nfs/dbraw/zinc/85/26/17/1007852617.db2.gz MYFMURLKOKAAFQ-QHAWAJNXSA-N 2 1 415.622 3.926 20 0 HHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000517642183 1007852623 /nfs/dbraw/zinc/85/26/23/1007852623.db2.gz MYFMURLKOKAAFQ-QHAWAJNXSA-N 2 1 415.622 3.926 20 0 HHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000517642183 1007852629 /nfs/dbraw/zinc/85/26/29/1007852629.db2.gz MYFMURLKOKAAFQ-QHAWAJNXSA-N 2 1 415.622 3.926 20 0 HHADMP C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4c[nH+]ccc4N4CC[NH+](C)CC4)cc3c2C1 ZINC000517651814 1007864276 /nfs/dbraw/zinc/86/42/76/1007864276.db2.gz BJJAFVPRCCGGNQ-INIZCTEOSA-N 2 1 403.530 3.692 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000533577082 1007882324 /nfs/dbraw/zinc/88/23/24/1007882324.db2.gz JFMLYPXGDGUAIL-UHFFFAOYSA-N 2 1 409.715 3.502 20 0 HHADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000539576616 1007892658 /nfs/dbraw/zinc/89/26/58/1007892658.db2.gz PLFDCUCPLRVQCQ-WOJBJXKFSA-N 2 1 411.512 3.874 20 0 HHADMP COc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)cc1 ZINC000517728033 1007934157 /nfs/dbraw/zinc/93/41/57/1007934157.db2.gz FSCONJUKENJUFU-UKILVPOCSA-N 2 1 421.585 3.861 20 0 HHADMP O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000517730405 1007935940 /nfs/dbraw/zinc/93/59/40/1007935940.db2.gz VNFVEPOBJDRAGR-DEOSSOPVSA-N 2 1 405.586 3.722 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1F ZINC000517803223 1007979854 /nfs/dbraw/zinc/97/98/54/1007979854.db2.gz CBLLGUMAIHKDKY-UHFFFAOYSA-N 2 1 401.530 3.583 20 0 HHADMP CC1(C)CN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000517838397 1008004174 /nfs/dbraw/zinc/00/41/74/1008004174.db2.gz HVVFHBIMIDMVAK-UHFFFAOYSA-N 2 1 423.626 3.972 20 0 HHADMP CC1(C)CN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000517838397 1008004201 /nfs/dbraw/zinc/00/42/01/1008004201.db2.gz HVVFHBIMIDMVAK-UHFFFAOYSA-N 2 1 423.626 3.972 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000517884057 1008028233 /nfs/dbraw/zinc/02/82/33/1008028233.db2.gz XPEWMOYKTXBXTH-VQTJNVASSA-N 2 1 406.640 3.941 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCC[C@H]3C[NH+]3CCCC3)cc2)C1 ZINC000517917974 1008056229 /nfs/dbraw/zinc/05/62/29/1008056229.db2.gz VDLBBXAITBKALJ-IMSXRSKXSA-N 2 1 412.622 3.934 20 0 HHADMP C[NH+]1CCC([C@@H]2CCN(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)CC1 ZINC000533732175 1008058637 /nfs/dbraw/zinc/05/86/37/1008058637.db2.gz OVUNKKAVRBTBAM-XALAGWIPSA-N 2 1 410.606 3.555 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NCC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539763762 1008078122 /nfs/dbraw/zinc/07/81/22/1008078122.db2.gz YKTAZZGIAXSCRC-PMACEKPBSA-N 2 1 410.965 3.644 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NCC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539763762 1008078129 /nfs/dbraw/zinc/07/81/29/1008078129.db2.gz YKTAZZGIAXSCRC-PMACEKPBSA-N 2 1 410.965 3.644 20 0 HHADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)N2CCC[NH+](CCCc3ccccc3)CC2)C1 ZINC000536050544 1008081918 /nfs/dbraw/zinc/08/19/18/1008081918.db2.gz NIIWPIRXOHLMFG-XMMPIXPASA-N 2 1 406.574 3.523 20 0 HHADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N2CCC[NH+](CCCc3ccccc3)CC2)C1 ZINC000536050544 1008081926 /nfs/dbraw/zinc/08/19/26/1008081926.db2.gz NIIWPIRXOHLMFG-XMMPIXPASA-N 2 1 406.574 3.523 20 0 HHADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)C1 ZINC000536050544 1008081933 /nfs/dbraw/zinc/08/19/33/1008081933.db2.gz NIIWPIRXOHLMFG-XMMPIXPASA-N 2 1 406.574 3.523 20 0 HHADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)C1 ZINC000536050544 1008081941 /nfs/dbraw/zinc/08/19/41/1008081941.db2.gz NIIWPIRXOHLMFG-XMMPIXPASA-N 2 1 406.574 3.523 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539767376 1008084784 /nfs/dbraw/zinc/08/47/84/1008084784.db2.gz VURMFRXASBVMGB-QMMLZNLJSA-N 2 1 422.976 3.883 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539767376 1008084792 /nfs/dbraw/zinc/08/47/92/1008084792.db2.gz VURMFRXASBVMGB-QMMLZNLJSA-N 2 1 422.976 3.883 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539767374 1008085437 /nfs/dbraw/zinc/08/54/37/1008085437.db2.gz VURMFRXASBVMGB-DZFGPLHGSA-N 2 1 422.976 3.883 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539767374 1008085443 /nfs/dbraw/zinc/08/54/43/1008085443.db2.gz VURMFRXASBVMGB-DZFGPLHGSA-N 2 1 422.976 3.883 20 0 HHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cn(Cc4ccccc4)nc3C(C)(C)C)C2)CC1 ZINC000539820537 1008114103 /nfs/dbraw/zinc/11/41/03/1008114103.db2.gz MANIZXUPPGYWCJ-DEOSSOPVSA-N 2 1 423.649 3.829 20 0 HHADMP COc1ccc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1OCC(C)C ZINC000539860604 1008145865 /nfs/dbraw/zinc/14/58/65/1008145865.db2.gz VHYAOCXDJXUHHO-UHFFFAOYSA-N 2 1 403.611 3.720 20 0 HHADMP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1OCc1ccccc1 ZINC000539893865 1008168824 /nfs/dbraw/zinc/16/88/24/1008168824.db2.gz AQVGFWWBZVZKKV-WMTXJRDZSA-N 2 1 410.558 3.958 20 0 HHADMP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1OCc1ccccc1 ZINC000539893865 1008168827 /nfs/dbraw/zinc/16/88/27/1008168827.db2.gz AQVGFWWBZVZKKV-WMTXJRDZSA-N 2 1 410.558 3.958 20 0 HHADMP C[N@H+]1CC[C@@H](NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)[C@@H]1c1ccccc1 ZINC000533893437 1008187063 /nfs/dbraw/zinc/18/70/63/1008187063.db2.gz WMZXCTFGGUXMOZ-YADHBBJMSA-N 2 1 412.603 3.705 20 0 HHADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000539975616 1008216849 /nfs/dbraw/zinc/21/68/49/1008216849.db2.gz AAEIUUOWVFCRHT-ZEQRLZLVSA-N 2 1 421.589 3.775 20 0 HHADMP CCc1ccc(CNC(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000540044609 1008254192 /nfs/dbraw/zinc/25/41/92/1008254192.db2.gz IFXQHFFGBQDMMN-UHFFFAOYSA-N 2 1 400.592 3.560 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000518453612 1008313892 /nfs/dbraw/zinc/31/38/92/1008313892.db2.gz LQNNXHNGVZPOIM-JOCHJYFZSA-N 2 1 420.601 3.609 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000518453612 1008313895 /nfs/dbraw/zinc/31/38/95/1008313895.db2.gz LQNNXHNGVZPOIM-JOCHJYFZSA-N 2 1 420.601 3.609 20 0 HHADMP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000518466323 1008318752 /nfs/dbraw/zinc/31/87/52/1008318752.db2.gz XBRFSOUJTZNWLK-XMMPIXPASA-N 2 1 420.601 3.675 20 0 HHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(I)cc1 ZINC000540170655 1008320630 /nfs/dbraw/zinc/32/06/30/1008320630.db2.gz ITAXYVCEYPTCBY-OWCLPIDISA-N 2 1 416.347 3.831 20 0 HHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000540244870 1008350761 /nfs/dbraw/zinc/35/07/61/1008350761.db2.gz IUHKLTKIEKRFRG-CALCHBBNSA-N 2 1 400.485 3.796 20 0 HHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000540244870 1008350765 /nfs/dbraw/zinc/35/07/65/1008350765.db2.gz IUHKLTKIEKRFRG-CALCHBBNSA-N 2 1 400.485 3.796 20 0 HHADMP CCOc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1OCC ZINC000518747591 1008413062 /nfs/dbraw/zinc/41/30/62/1008413062.db2.gz LHTCYYMZIBNNHK-IBGZPJMESA-N 2 1 403.592 3.624 20 0 HHADMP CC(C)[N@@H+](Cc1ccc(NC(=O)C[NH+](C)[C@@H]2CCSC2)cc1)C[C@H]1CCCCO1 ZINC000540421697 1008426166 /nfs/dbraw/zinc/42/61/66/1008426166.db2.gz HQWXHPKCOJGVCW-FGZHOGPDSA-N 2 1 419.635 3.842 20 0 HHADMP CC(C)[N@H+](Cc1ccc(NC(=O)C[NH+](C)[C@@H]2CCSC2)cc1)C[C@H]1CCCCO1 ZINC000540421697 1008426169 /nfs/dbraw/zinc/42/61/69/1008426169.db2.gz HQWXHPKCOJGVCW-FGZHOGPDSA-N 2 1 419.635 3.842 20 0 HHADMP CC(C)[NH+](Cc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCSC2)cc1)C[C@H]1CCCCO1 ZINC000540421697 1008426172 /nfs/dbraw/zinc/42/61/72/1008426172.db2.gz HQWXHPKCOJGVCW-FGZHOGPDSA-N 2 1 419.635 3.842 20 0 HHADMP CC(C)[NH+](Cc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)cc1)C[C@H]1CCCCO1 ZINC000540421697 1008426177 /nfs/dbraw/zinc/42/61/77/1008426177.db2.gz HQWXHPKCOJGVCW-FGZHOGPDSA-N 2 1 419.635 3.842 20 0 HHADMP C[N@@H+](CCc1cccc(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)c1)C1CC1 ZINC000540431876 1008430850 /nfs/dbraw/zinc/43/08/50/1008430850.db2.gz HRTKUCKGAGPKES-UHFFFAOYSA-N 2 1 420.601 3.864 20 0 HHADMP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]Cc1cccnc1OCC(F)F)c1ccccc1O2 ZINC000540507260 1008459939 /nfs/dbraw/zinc/45/99/39/1008459939.db2.gz HCRFMSZDOOBIPI-GOSISDBHSA-N 2 1 403.473 3.803 20 0 HHADMP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000519137275 1008558535 /nfs/dbraw/zinc/55/85/35/1008558535.db2.gz MCDPRVIELSHSDT-HXUWFJFHSA-N 2 1 409.574 3.584 20 0 HHADMP CSc1ccccc1C[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000543081178 1008657962 /nfs/dbraw/zinc/65/79/62/1008657962.db2.gz BTNLSFPTYBJGJH-AVRDEDQJSA-N 2 1 411.615 3.827 20 0 HHADMP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000549132531 1008702951 /nfs/dbraw/zinc/70/29/51/1008702951.db2.gz XLRWGDWPARHLBZ-AWEZNQCLSA-N 2 1 406.983 3.587 20 0 HHADMP Cc1ccc2c(C[N@H+](C)CCC3CC[NH+](C4CCN(C)CC4)CC3)ccc(O)c2n1 ZINC000549139104 1008708829 /nfs/dbraw/zinc/70/88/29/1008708829.db2.gz QMQYKFGXQYOJOY-UHFFFAOYSA-N 2 1 410.606 3.877 20 0 HHADMP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000543152946 1008726036 /nfs/dbraw/zinc/72/60/36/1008726036.db2.gz QUEMXQGASMBAJK-DQEYMECFSA-N 2 1 421.585 3.692 20 0 HHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000543152946 1008726045 /nfs/dbraw/zinc/72/60/45/1008726045.db2.gz QUEMXQGASMBAJK-DQEYMECFSA-N 2 1 421.585 3.692 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC[N@@H+]1C ZINC000543178789 1008752897 /nfs/dbraw/zinc/75/28/97/1008752897.db2.gz JAKGJXFHJODDOS-AUUYWEPGSA-N 2 1 413.393 3.740 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC[N@H+]1C ZINC000543178789 1008752912 /nfs/dbraw/zinc/75/29/12/1008752912.db2.gz JAKGJXFHJODDOS-AUUYWEPGSA-N 2 1 413.393 3.740 20 0 HHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000549204625 1008776981 /nfs/dbraw/zinc/77/69/81/1008776981.db2.gz KWNFZMZQUVNVFM-XZOQPEGZSA-N 2 1 412.622 3.660 20 0 HHADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000549204625 1008776991 /nfs/dbraw/zinc/77/69/91/1008776991.db2.gz KWNFZMZQUVNVFM-XZOQPEGZSA-N 2 1 412.622 3.660 20 0 HHADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000549204625 1008777003 /nfs/dbraw/zinc/77/70/03/1008777003.db2.gz KWNFZMZQUVNVFM-XZOQPEGZSA-N 2 1 412.622 3.660 20 0 HHADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549208205 1008779965 /nfs/dbraw/zinc/77/99/65/1008779965.db2.gz VDUAKUNFWIINSY-DENIHFKCSA-N 2 1 400.611 3.659 20 0 HHADMP Cc1nccn1CCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549243332 1008813437 /nfs/dbraw/zinc/81/34/37/1008813437.db2.gz YVZIZRVSWFSMBE-KRIYCRJKSA-N 2 1 415.969 3.758 20 0 HHADMP Cc1[nH+]ccn1CCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000549243332 1008813443 /nfs/dbraw/zinc/81/34/43/1008813443.db2.gz YVZIZRVSWFSMBE-KRIYCRJKSA-N 2 1 415.969 3.758 20 0 HHADMP Cc1[nH+]ccn1CCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549243332 1008813458 /nfs/dbraw/zinc/81/34/58/1008813458.db2.gz YVZIZRVSWFSMBE-KRIYCRJKSA-N 2 1 415.969 3.758 20 0 HHADMP Cc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(Br)c1 ZINC000543458850 1009041358 /nfs/dbraw/zinc/04/13/58/1009041358.db2.gz MPOPVEBMVASBSY-HOTGVXAUSA-N 2 1 408.384 3.939 20 0 HHADMP Cc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(Br)c1 ZINC000543458850 1009041375 /nfs/dbraw/zinc/04/13/75/1009041375.db2.gz MPOPVEBMVASBSY-HOTGVXAUSA-N 2 1 408.384 3.939 20 0 HHADMP CN(C)C(=O)N1CCC([NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000549625819 1009253455 /nfs/dbraw/zinc/25/34/55/1009253455.db2.gz JLWNUIADBDYLHP-IFTBVCKDSA-N 2 1 419.013 3.990 20 0 HHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCc3c2c(Br)ccc3F)C1 ZINC000543775787 1009344319 /nfs/dbraw/zinc/34/43/19/1009344319.db2.gz UQUWQCOJDRTOCN-JXFKEZNVSA-N 2 1 419.338 3.932 20 0 HHADMP C[NH+]1CCN(CCCC[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000520296157 1009419747 /nfs/dbraw/zinc/41/97/47/1009419747.db2.gz OVZUSFMKFWJUME-UHFFFAOYSA-N 2 1 406.368 3.826 20 0 HHADMP Cn1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c(C(C)(C)C)n1 ZINC000549877208 1009498578 /nfs/dbraw/zinc/49/85/78/1009498578.db2.gz HGNFNJICEQGNNL-QFIPXVFZSA-N 2 1 410.606 3.736 20 0 HHADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCc3nc(-c4ccc(Br)cc4)sc32)C1 ZINC000546574117 1009596582 /nfs/dbraw/zinc/59/65/82/1009596582.db2.gz YRCVWCCRVZTMFC-DNVCBOLYSA-N 2 1 422.392 3.606 20 0 HHADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCc3nc(-c4ccc(Br)cc4)sc32)C1 ZINC000546574117 1009596595 /nfs/dbraw/zinc/59/65/95/1009596595.db2.gz YRCVWCCRVZTMFC-DNVCBOLYSA-N 2 1 422.392 3.606 20 0 HHADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)CC3 ZINC000546612964 1009629458 /nfs/dbraw/zinc/62/94/58/1009629458.db2.gz ODHJNIGKIWREOG-YOSAUDMPSA-N 2 1 419.569 3.506 20 0 HHADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)CC3 ZINC000546612964 1009629467 /nfs/dbraw/zinc/62/94/67/1009629467.db2.gz ODHJNIGKIWREOG-YOSAUDMPSA-N 2 1 419.569 3.506 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000546659942 1009658949 /nfs/dbraw/zinc/65/89/49/1009658949.db2.gz DPYPQDPBFDJWNM-RTBURBONSA-N 2 1 405.542 3.876 20 0 HHADMP Cc1cccc([C@H]2CC[N@H+]([C@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000544189719 1009793007 /nfs/dbraw/zinc/79/30/07/1009793007.db2.gz JKRJULNKWFJHAK-QPPBQGQZSA-N 2 1 405.586 3.954 20 0 HHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000520897339 1009951377 /nfs/dbraw/zinc/95/13/77/1009951377.db2.gz ZJXNILVVPSCUCU-HXUWFJFHSA-N 2 1 422.564 3.883 20 0 HHADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000520897339 1009951388 /nfs/dbraw/zinc/95/13/88/1009951388.db2.gz ZJXNILVVPSCUCU-HXUWFJFHSA-N 2 1 422.564 3.883 20 0 HHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000520897339 1009951398 /nfs/dbraw/zinc/95/13/98/1009951398.db2.gz ZJXNILVVPSCUCU-HXUWFJFHSA-N 2 1 422.564 3.883 20 0 HHADMP Cn1c[nH+]c2cc(N[C@H](C[NH+]3CCC(C(N)=O)CC3)c3ccc(Cl)cc3)ccc21 ZINC000544383968 1010007345 /nfs/dbraw/zinc/00/73/45/1010007345.db2.gz ULFWLEVHQOCVSW-HXUWFJFHSA-N 2 1 411.937 3.577 20 0 HHADMP CCOc1ccccc1[C@H](CC)NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544421719 1010042213 /nfs/dbraw/zinc/04/22/13/1010042213.db2.gz OXNNIRRWOYYLHX-KNKQGSTJSA-N 2 1 401.595 3.895 20 0 HHADMP CCOc1ccccc1[C@H](CC)NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544421719 1010042228 /nfs/dbraw/zinc/04/22/28/1010042228.db2.gz OXNNIRRWOYYLHX-KNKQGSTJSA-N 2 1 401.595 3.895 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544424311 1010047260 /nfs/dbraw/zinc/04/72/60/1010047260.db2.gz JTXWEHMBPYRQRB-CEXWTWQISA-N 2 1 422.013 3.808 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544424311 1010047281 /nfs/dbraw/zinc/04/72/81/1010047281.db2.gz JTXWEHMBPYRQRB-CEXWTWQISA-N 2 1 422.013 3.808 20 0 HHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H](Cc3ccccc3Cl)C3CC3)cc2)CC1 ZINC000550621335 1010069805 /nfs/dbraw/zinc/06/98/05/1010069805.db2.gz JJJMRFYTOQHUND-HSZRJFAPSA-N 2 1 411.977 3.839 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCCCC[NH+]2CCCCC2)cc1F ZINC000521173839 1010205763 /nfs/dbraw/zinc/20/57/63/1010205763.db2.gz KGCJKZINNSNNJH-UHFFFAOYSA-N 2 1 401.530 3.775 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000521200460 1010225496 /nfs/dbraw/zinc/22/54/96/1010225496.db2.gz ZNGXWXUVJMIPRT-UHFFFAOYSA-N 2 1 419.510 3.955 20 0 HHADMP O=c1ccccn1Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000547313134 1010249864 /nfs/dbraw/zinc/24/98/64/1010249864.db2.gz BPADPRMVUKDNGA-UHFFFAOYSA-N 2 1 401.554 3.693 20 0 HHADMP C[C@H]1C[NH+](Cc2ccc(CNC(=O)CC[N@@H+](C)C3CCCCC3)cc2)C[C@H](C)O1 ZINC000547430918 1010302114 /nfs/dbraw/zinc/30/21/14/1010302114.db2.gz AGWMANGFKVRSLD-PMACEKPBSA-N 2 1 401.595 3.567 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000551006386 1010312924 /nfs/dbraw/zinc/31/29/24/1010312924.db2.gz SKOYLVAHHFCDKP-OEOAZWSVSA-N 2 1 407.558 3.830 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000551006386 1010312937 /nfs/dbraw/zinc/31/29/37/1010312937.db2.gz SKOYLVAHHFCDKP-OEOAZWSVSA-N 2 1 407.558 3.830 20 0 HHADMP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H](C)[NH+]2CCc3sccc3C2)CC1 ZINC000521467820 1010389323 /nfs/dbraw/zinc/38/93/23/1010389323.db2.gz CVATUPDHLKFSGC-SFHVURJKSA-N 2 1 406.640 3.648 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H](C)[NH+]2CCc3sccc3C2)CC1 ZINC000521467820 1010389327 /nfs/dbraw/zinc/38/93/27/1010389327.db2.gz CVATUPDHLKFSGC-SFHVURJKSA-N 2 1 406.640 3.648 20 0 HHADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)CC1 ZINC000521467820 1010389335 /nfs/dbraw/zinc/38/93/35/1010389335.db2.gz CVATUPDHLKFSGC-SFHVURJKSA-N 2 1 406.640 3.648 20 0 HHADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)CC1 ZINC000521467820 1010389344 /nfs/dbraw/zinc/38/93/44/1010389344.db2.gz CVATUPDHLKFSGC-SFHVURJKSA-N 2 1 406.640 3.648 20 0 HHADMP C[C@H](CNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[NH+]1CCc2sccc2C1 ZINC000521471181 1010392653 /nfs/dbraw/zinc/39/26/53/1010392653.db2.gz OXJMNANOMRFOEI-LJQANCHMSA-N 2 1 418.651 3.792 20 0 HHADMP C[C@H](CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[NH+]1CCc2sccc2C1 ZINC000521471181 1010392663 /nfs/dbraw/zinc/39/26/63/1010392663.db2.gz OXJMNANOMRFOEI-LJQANCHMSA-N 2 1 418.651 3.792 20 0 HHADMP C[C@H](CNC(=O)N1CCC[NH+](CC2CCCCC2)CC1)[N@@H+]1CCc2sccc2C1 ZINC000521471181 1010392676 /nfs/dbraw/zinc/39/26/76/1010392676.db2.gz OXJMNANOMRFOEI-LJQANCHMSA-N 2 1 418.651 3.792 20 0 HHADMP C[C@H](CNC(=O)N1CCC[NH+](CC2CCCCC2)CC1)[N@H+]1CCc2sccc2C1 ZINC000521471181 1010392689 /nfs/dbraw/zinc/39/26/89/1010392689.db2.gz OXJMNANOMRFOEI-LJQANCHMSA-N 2 1 418.651 3.792 20 0 HHADMP C[C@H]([NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547826501 1010439874 /nfs/dbraw/zinc/43/98/74/1010439874.db2.gz PFDDECHHUFKVDB-GPUOULLFSA-N 2 1 405.586 3.720 20 0 HHADMP C[C@H]([NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547827843 1010441413 /nfs/dbraw/zinc/44/14/13/1010441413.db2.gz IKFIANIAKSHWSE-FBBABVLZSA-N 2 1 422.491 3.945 20 0 HHADMP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000521534767 1010445404 /nfs/dbraw/zinc/44/54/04/1010445404.db2.gz ZYIWTLKTFGBGDA-QHCPKHFHSA-N 2 1 409.549 3.950 20 0 HHADMP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cc(O)ccc3Br)cc2)CC1 ZINC000551227948 1010450577 /nfs/dbraw/zinc/45/05/77/1010450577.db2.gz OYGBQKWEWUHJAQ-UHFFFAOYSA-N 2 1 405.336 3.918 20 0 HHADMP C[C@H]1C[C@@H](C(=O)N2CCC([NH+](C)Cc3cccc(C(F)(F)F)c3)CC2)CC[N@H+]1C ZINC000548414422 1010619530 /nfs/dbraw/zinc/61/95/30/1010619530.db2.gz VDRRVGIOFOUMGG-WMZOPIPTSA-N 2 1 411.512 3.859 20 0 HHADMP C[C@H]1C[C@@H](C(=O)N2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)CC[NH+]1C ZINC000548414422 1010619532 /nfs/dbraw/zinc/61/95/32/1010619532.db2.gz VDRRVGIOFOUMGG-WMZOPIPTSA-N 2 1 411.512 3.859 20 0 HHADMP C[C@H]1C[C@@H](C(=O)N2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)CC[NH+]1C ZINC000548414422 1010619536 /nfs/dbraw/zinc/61/95/36/1010619536.db2.gz VDRRVGIOFOUMGG-WMZOPIPTSA-N 2 1 411.512 3.859 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548482136 1010641006 /nfs/dbraw/zinc/64/10/06/1010641006.db2.gz XNJIGGCYZHDQJZ-QPPBQGQZSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@@H](NCc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548482136 1010641013 /nfs/dbraw/zinc/64/10/13/1010641013.db2.gz XNJIGGCYZHDQJZ-QPPBQGQZSA-N 2 1 407.602 3.644 20 0 HHADMP C[C@@H](NCc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548482136 1010641020 /nfs/dbraw/zinc/64/10/20/1010641020.db2.gz XNJIGGCYZHDQJZ-QPPBQGQZSA-N 2 1 407.602 3.644 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCN1C(=O)c2ccccc2C1=O ZINC000548487504 1010643785 /nfs/dbraw/zinc/64/37/85/1010643785.db2.gz IAXXYSLDOSNDRJ-AUSIDOKSSA-N 2 1 405.542 3.563 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCN1C(=O)c2ccccc2C1=O ZINC000548487504 1010643793 /nfs/dbraw/zinc/64/37/93/1010643793.db2.gz IAXXYSLDOSNDRJ-AUSIDOKSSA-N 2 1 405.542 3.563 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NCC(C)(C)[NH2+][C@@H](C)c3ccccc3)CC2)cs1 ZINC000521851233 1010660016 /nfs/dbraw/zinc/66/00/16/1010660016.db2.gz PBKFGBIPDJETIA-KRWDZBQOSA-N 2 1 414.619 3.909 20 0 HHADMP COc1ccc(C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)c(OC)c1 ZINC000521942754 1010727866 /nfs/dbraw/zinc/72/78/66/1010727866.db2.gz YQGVHVOUBKXQIC-UHFFFAOYSA-N 2 1 413.562 3.821 20 0 HHADMP COc1ccc(C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)c(OC)c1 ZINC000521942754 1010727872 /nfs/dbraw/zinc/72/78/72/1010727872.db2.gz YQGVHVOUBKXQIC-UHFFFAOYSA-N 2 1 413.562 3.821 20 0 HHADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)oc1C ZINC000522044388 1010774561 /nfs/dbraw/zinc/77/45/61/1010774561.db2.gz QBUDRMMQKPKNFP-QHCPKHFHSA-N 2 1 424.589 3.532 20 0 HHADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)oc1C ZINC000522044388 1010774569 /nfs/dbraw/zinc/77/45/69/1010774569.db2.gz QBUDRMMQKPKNFP-QHCPKHFHSA-N 2 1 424.589 3.532 20 0 HHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000522308811 1010921009 /nfs/dbraw/zinc/92/10/09/1010921009.db2.gz HXSVTDDRLICYRV-LJQANCHMSA-N 2 1 414.619 3.577 20 0 HHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000522308811 1010921017 /nfs/dbraw/zinc/92/10/17/1010921017.db2.gz HXSVTDDRLICYRV-LJQANCHMSA-N 2 1 414.619 3.577 20 0 HHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000522310383 1010921673 /nfs/dbraw/zinc/92/16/73/1010921673.db2.gz OIJKBEJZHCPNQZ-NRFANRHFSA-N 2 1 408.590 3.515 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000522323794 1010930103 /nfs/dbraw/zinc/93/01/03/1010930103.db2.gz CPQCBBXNEBWNIQ-MZKRTTBSSA-N 2 1 400.611 3.694 20 0 HHADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000522323794 1010930108 /nfs/dbraw/zinc/93/01/08/1010930108.db2.gz CPQCBBXNEBWNIQ-MZKRTTBSSA-N 2 1 400.611 3.694 20 0 HHADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000522323794 1010930115 /nfs/dbraw/zinc/93/01/15/1010930115.db2.gz CPQCBBXNEBWNIQ-MZKRTTBSSA-N 2 1 400.611 3.694 20 0 HHADMP CN(C)c1ncc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000522756568 1011197819 /nfs/dbraw/zinc/19/78/19/1011197819.db2.gz ZZSGOUXQAMEZPP-MJGOQNOKSA-N 2 1 407.484 3.734 20 0 HHADMP CN(C)c1ncc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000522756568 1011197822 /nfs/dbraw/zinc/19/78/22/1011197822.db2.gz ZZSGOUXQAMEZPP-MJGOQNOKSA-N 2 1 407.484 3.734 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540718729 1011370626 /nfs/dbraw/zinc/37/06/26/1011370626.db2.gz WVJOUNWDUFVJQS-ANULTFPQSA-N 2 1 422.976 3.929 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540718729 1011370640 /nfs/dbraw/zinc/37/06/40/1011370640.db2.gz WVJOUNWDUFVJQS-ANULTFPQSA-N 2 1 422.976 3.929 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540718729 1011370652 /nfs/dbraw/zinc/37/06/52/1011370652.db2.gz WVJOUNWDUFVJQS-ANULTFPQSA-N 2 1 422.976 3.929 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540718729 1011370660 /nfs/dbraw/zinc/37/06/60/1011370660.db2.gz WVJOUNWDUFVJQS-ANULTFPQSA-N 2 1 422.976 3.929 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1 ZINC000536229155 1011378288 /nfs/dbraw/zinc/37/82/88/1011378288.db2.gz ZSEMYSUJCHVDMC-RTFZILSDSA-N 2 1 403.530 3.986 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1 ZINC000536229155 1011378301 /nfs/dbraw/zinc/37/83/01/1011378301.db2.gz ZSEMYSUJCHVDMC-RTFZILSDSA-N 2 1 403.530 3.986 20 0 HHADMP CN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000536231961 1011380620 /nfs/dbraw/zinc/38/06/20/1011380620.db2.gz IWUBAAPWKCYTJR-RPWUZVMVSA-N 2 1 406.574 3.738 20 0 HHADMP Brc1cc2c(cc1C[NH+]1CCC(C[NH+]3CCCC3)CC1)OCCCO2 ZINC000540821254 1011483903 /nfs/dbraw/zinc/48/39/03/1011483903.db2.gz YRAIXJXJVNIQMF-UHFFFAOYSA-N 2 1 409.368 3.918 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1)C1CCOCC1 ZINC000536308132 1011501169 /nfs/dbraw/zinc/50/11/69/1011501169.db2.gz ZRQBOJWSWARVHL-VXNXHJTFSA-N 2 1 414.590 3.614 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540865794 1011542367 /nfs/dbraw/zinc/54/23/67/1011542367.db2.gz LUXBCDDGCNZIGC-SQBLYHGDSA-N 2 1 422.976 3.881 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540865794 1011542376 /nfs/dbraw/zinc/54/23/76/1011542376.db2.gz LUXBCDDGCNZIGC-SQBLYHGDSA-N 2 1 422.976 3.881 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540865794 1011542388 /nfs/dbraw/zinc/54/23/88/1011542388.db2.gz LUXBCDDGCNZIGC-SQBLYHGDSA-N 2 1 422.976 3.881 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540865794 1011542399 /nfs/dbraw/zinc/54/23/99/1011542399.db2.gz LUXBCDDGCNZIGC-SQBLYHGDSA-N 2 1 422.976 3.881 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000536356268 1011564359 /nfs/dbraw/zinc/56/43/59/1011564359.db2.gz QBOJHILILPQPBC-LEWJYISDSA-N 2 1 407.002 3.849 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000536356268 1011564375 /nfs/dbraw/zinc/56/43/75/1011564375.db2.gz QBOJHILILPQPBC-LEWJYISDSA-N 2 1 407.002 3.849 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000523129864 1011598686 /nfs/dbraw/zinc/59/86/86/1011598686.db2.gz YPNSSPDXXCSLMG-JOCHJYFZSA-N 2 1 415.626 3.732 20 0 HHADMP C[C@@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536486632 1011699418 /nfs/dbraw/zinc/69/94/18/1011699418.db2.gz SLYVXGQGTAXTBO-QFIPXVFZSA-N 2 1 417.597 3.948 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000523220152 1011708300 /nfs/dbraw/zinc/70/83/00/1011708300.db2.gz CKMKBWOSAQRJFH-FCEUIQTBSA-N 2 1 410.562 3.860 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(Cc2ccncc2)C[C@@H]2CCC[NH+]2CC)c1 ZINC000523221961 1011710732 /nfs/dbraw/zinc/71/07/32/1011710732.db2.gz GEXLTGZZVDRWJU-DEOSSOPVSA-N 2 1 423.605 3.729 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000523221961 1011710746 /nfs/dbraw/zinc/71/07/46/1011710746.db2.gz GEXLTGZZVDRWJU-DEOSSOPVSA-N 2 1 423.605 3.729 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000523221961 1011710760 /nfs/dbraw/zinc/71/07/60/1011710760.db2.gz GEXLTGZZVDRWJU-DEOSSOPVSA-N 2 1 423.605 3.729 20 0 HHADMP CC(C)(CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)[NH+]1CCCCC1 ZINC000536513643 1011710998 /nfs/dbraw/zinc/71/09/98/1011710998.db2.gz CVPILDJAHOYOJD-UHFFFAOYSA-N 2 1 412.622 3.949 20 0 HHADMP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2nnc(-c3sccc3C)o2)CC1 ZINC000541088271 1011731610 /nfs/dbraw/zinc/73/16/10/1011731610.db2.gz IUHAZDKWQFCLIO-UHFFFAOYSA-N 2 1 419.595 3.879 20 0 HHADMP C[N@@H+]1CCN(C(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)[C@H](c2ccccc2)C1 ZINC000523300880 1011780098 /nfs/dbraw/zinc/78/00/98/1011780098.db2.gz TZSUPYLNAXBTAV-KNQAVFIVSA-N 2 1 412.603 3.658 20 0 HHADMP C[N@H+]1CCN(C(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)[C@H](c2ccccc2)C1 ZINC000523300880 1011780112 /nfs/dbraw/zinc/78/01/12/1011780112.db2.gz TZSUPYLNAXBTAV-KNQAVFIVSA-N 2 1 412.603 3.658 20 0 HHADMP C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)[C@H](c2ccccc2)C1 ZINC000523300880 1011780126 /nfs/dbraw/zinc/78/01/26/1011780126.db2.gz TZSUPYLNAXBTAV-KNQAVFIVSA-N 2 1 412.603 3.658 20 0 HHADMP C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)[C@H](c2ccccc2)C1 ZINC000523300880 1011780141 /nfs/dbraw/zinc/78/01/41/1011780141.db2.gz TZSUPYLNAXBTAV-KNQAVFIVSA-N 2 1 412.603 3.658 20 0 HHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000536694754 1011862267 /nfs/dbraw/zinc/86/22/67/1011862267.db2.gz VBYCDENJQZTWCS-XMMPIXPASA-N 2 1 419.573 3.867 20 0 HHADMP Cc1cc(NC(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n(C(C)(C)C)n1 ZINC000536724968 1011896230 /nfs/dbraw/zinc/89/62/30/1011896230.db2.gz ZGQFVMKRAUUAQZ-UHFFFAOYSA-N 2 1 412.582 3.519 20 0 HHADMP CCCN(C(=O)NC[C@H](c1ccco1)[NH+](C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000523520710 1012048085 /nfs/dbraw/zinc/04/80/85/1012048085.db2.gz XVFXDQMQPWCCEL-FCHUYYIVSA-N 2 1 412.578 3.969 20 0 HHADMP CCCN(C(=O)NC[C@H](c1ccco1)[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000523520710 1012048095 /nfs/dbraw/zinc/04/80/95/1012048095.db2.gz XVFXDQMQPWCCEL-FCHUYYIVSA-N 2 1 412.578 3.969 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000536835134 1012066076 /nfs/dbraw/zinc/06/60/76/1012066076.db2.gz VZPWTNMSGRUYRR-LEWJYISDSA-N 2 1 421.651 3.880 20 0 HHADMP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)cc2)cc1 ZINC000536851945 1012082720 /nfs/dbraw/zinc/08/27/20/1012082720.db2.gz MKBJQEIIFWTGIX-YOSAUDMPSA-N 2 1 409.574 3.873 20 0 HHADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000536861536 1012095768 /nfs/dbraw/zinc/09/57/68/1012095768.db2.gz FSDJPBOEFZWFQH-WMZHIEFXSA-N 2 1 421.651 3.850 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000536949331 1012250817 /nfs/dbraw/zinc/25/08/17/1012250817.db2.gz YNRBPHICYLLOFQ-GOSISDBHSA-N 2 1 415.603 3.949 20 0 HHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000541516717 1012297831 /nfs/dbraw/zinc/29/78/31/1012297831.db2.gz WWMDOYHPPPGCJJ-QTEQDKRBSA-N 2 1 410.606 3.969 20 0 HHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000541516717 1012297851 /nfs/dbraw/zinc/29/78/51/1012297851.db2.gz WWMDOYHPPPGCJJ-QTEQDKRBSA-N 2 1 410.606 3.969 20 0 HHADMP CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000541535305 1012318498 /nfs/dbraw/zinc/31/84/98/1012318498.db2.gz WKFHKERFTPWSSM-KRWDZBQOSA-N 2 1 423.483 3.589 20 0 HHADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000541542120 1012326909 /nfs/dbraw/zinc/32/69/09/1012326909.db2.gz PJZZRIAYBNWULU-ROUUACIJSA-N 2 1 402.560 3.863 20 0 HHADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000541542120 1012326922 /nfs/dbraw/zinc/32/69/22/1012326922.db2.gz PJZZRIAYBNWULU-ROUUACIJSA-N 2 1 402.560 3.863 20 0 HHADMP CN(CCC[N@H+](C)Cc1ccncc1)C(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000552359855 1012368898 /nfs/dbraw/zinc/36/88/98/1012368898.db2.gz XNXDWYDBFDRQBQ-HSZRJFAPSA-N 2 1 412.553 3.556 20 0 HHADMP CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000552359855 1012368905 /nfs/dbraw/zinc/36/89/05/1012368905.db2.gz XNXDWYDBFDRQBQ-HSZRJFAPSA-N 2 1 412.553 3.556 20 0 HHADMP CN(CCC[NH+](C)Cc1ccncc1)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000552359855 1012368922 /nfs/dbraw/zinc/36/89/22/1012368922.db2.gz XNXDWYDBFDRQBQ-HSZRJFAPSA-N 2 1 412.553 3.556 20 0 HHADMP CN(CCC[NH+](C)Cc1ccncc1)C(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000552359855 1012368937 /nfs/dbraw/zinc/36/89/37/1012368937.db2.gz XNXDWYDBFDRQBQ-HSZRJFAPSA-N 2 1 412.553 3.556 20 0 HHADMP Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000541578532 1012369936 /nfs/dbraw/zinc/36/99/36/1012369936.db2.gz RHHZWLBHSPAWBE-RTWAWAEBSA-N 2 1 402.966 3.842 20 0 HHADMP Cc1ccc(Cl)c(OC[C@@H](O)C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000541578532 1012369945 /nfs/dbraw/zinc/36/99/45/1012369945.db2.gz RHHZWLBHSPAWBE-RTWAWAEBSA-N 2 1 402.966 3.842 20 0 HHADMP Cc1ccc(Cl)c(OC[C@@H](O)C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000541578532 1012369958 /nfs/dbraw/zinc/36/99/58/1012369958.db2.gz RHHZWLBHSPAWBE-RTWAWAEBSA-N 2 1 402.966 3.842 20 0 HHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541600812 1012397224 /nfs/dbraw/zinc/39/72/24/1012397224.db2.gz YAHODXKPGOOFJN-ZIAGYGMSSA-N 2 1 412.347 3.769 20 0 HHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541600812 1012397241 /nfs/dbraw/zinc/39/72/41/1012397241.db2.gz YAHODXKPGOOFJN-ZIAGYGMSSA-N 2 1 412.347 3.769 20 0 HHADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)c3ccc(C[NH+]4CCCCC4)cc3)c2)CCO1 ZINC000552396354 1012407850 /nfs/dbraw/zinc/40/78/50/1012407850.db2.gz OUWGRBPSDJQEQS-OAQYLSRUSA-N 2 1 421.585 3.823 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ccc(C[NH+]4CCCCC4)cc3)c2)CCO1 ZINC000552396354 1012407862 /nfs/dbraw/zinc/40/78/62/1012407862.db2.gz OUWGRBPSDJQEQS-OAQYLSRUSA-N 2 1 421.585 3.823 20 0 HHADMP Cc1ccc(-c2noc([C@@H](C)[NH+]3CCC(C)(C[NH+]4CCN(C)CC4)CC3)n2)cc1F ZINC000541664312 1012493359 /nfs/dbraw/zinc/49/33/59/1012493359.db2.gz WDQYVFIWUVJPPI-GOSISDBHSA-N 2 1 415.557 3.595 20 0 HHADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc(Br)ccc3Cl)CC2)CC1 ZINC000541666990 1012495965 /nfs/dbraw/zinc/49/59/65/1012495965.db2.gz NUBRMMMPSFTVLS-UHFFFAOYSA-N 2 1 414.819 3.952 20 0 HHADMP COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000537159267 1012557272 /nfs/dbraw/zinc/55/72/72/1012557272.db2.gz KOXXNTSNIDFJQJ-CVEARBPZSA-N 2 1 408.502 3.876 20 0 HHADMP C[NH+]1CCC2(CC1)C[C@H]([NH2+]Cc1cccc(C(=O)NC3CC3)c1)c1ccccc1O2 ZINC000537190234 1012602566 /nfs/dbraw/zinc/60/25/66/1012602566.db2.gz XDQSDVRTUKQTIG-QFIPXVFZSA-N 2 1 405.542 3.657 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[NH+](CCCc3ccccc3)CC2)c1 ZINC000523942546 1012677897 /nfs/dbraw/zinc/67/78/97/1012677897.db2.gz QYXHSUUNZMUUPV-UHFFFAOYSA-N 2 1 422.617 3.988 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1 ZINC000523942546 1012677904 /nfs/dbraw/zinc/67/79/04/1012677904.db2.gz QYXHSUUNZMUUPV-UHFFFAOYSA-N 2 1 422.617 3.988 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c1 ZINC000523942546 1012677911 /nfs/dbraw/zinc/67/79/11/1012677911.db2.gz QYXHSUUNZMUUPV-UHFFFAOYSA-N 2 1 422.617 3.988 20 0 HHADMP CCOc1ccc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1OCC ZINC000552678628 1012685597 /nfs/dbraw/zinc/68/55/97/1012685597.db2.gz VJZKMINUBIQKQP-WOJBJXKFSA-N 2 1 420.594 3.574 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc(C(=O)OC)c(C)o2)CC1 ZINC000537306062 1012763963 /nfs/dbraw/zinc/76/39/63/1012763963.db2.gz DSGLFTIOMIBWKY-OAHLLOKOSA-N 2 1 403.498 3.506 20 0 HHADMP O=C1[C@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000537364712 1012836241 /nfs/dbraw/zinc/83/62/41/1012836241.db2.gz VHIOFESQIXHCLR-GOSISDBHSA-N 2 1 406.452 3.799 20 0 HHADMP C[NH+](C)CCOc1cccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000524153359 1012942706 /nfs/dbraw/zinc/94/27/06/1012942706.db2.gz XOVCNSWEKOOUTM-NOTZXAQLSA-N 2 1 422.573 3.944 20 0 HHADMP CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000524156232 1012947094 /nfs/dbraw/zinc/94/70/94/1012947094.db2.gz XNGQPZGASLDLEM-IBGZPJMESA-N 2 1 416.610 3.548 20 0 HHADMP Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000729681735 1071798212 /nfs/dbraw/zinc/79/82/12/1071798212.db2.gz JPQIHRGLBXMJJA-UHFFFAOYSA-N 2 1 424.420 3.851 20 0 HHADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000729683520 1071798550 /nfs/dbraw/zinc/79/85/50/1071798550.db2.gz WDTYHIMFFBWLCY-UHFFFAOYSA-N 2 1 417.601 3.965 20 0 HHADMP F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(CNC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000729684178 1071803234 /nfs/dbraw/zinc/80/32/34/1071803234.db2.gz KPQXUMWEDUQQEA-FVQBIDKESA-N 2 1 412.374 3.511 20 0 HHADMP F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(C[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000729684178 1071803244 /nfs/dbraw/zinc/80/32/44/1071803244.db2.gz KPQXUMWEDUQQEA-FVQBIDKESA-N 2 1 412.374 3.511 20 0 HHADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000729683560 1071803327 /nfs/dbraw/zinc/80/33/27/1071803327.db2.gz ZSUOTTUSIBMWGO-UHFFFAOYSA-N 2 1 409.603 3.718 20 0 HHADMP COc1ccc2c(c1)C[C@@H]([NH+]1CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC1)C2 ZINC001168271724 1072044263 /nfs/dbraw/zinc/04/42/63/1072044263.db2.gz IFTJNDKNSWIXAP-SFTDATJTSA-N 2 1 412.599 3.979 20 0 HHADMP Cn1nccc1[C@H]1CCC[NH+](CCCCCC[N@@H+]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000729815094 1072129927 /nfs/dbraw/zinc/12/99/27/1072129927.db2.gz NUIIQKIVJOUFQN-VXKWHMMOSA-N 2 1 412.626 3.773 20 0 HHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CCN(C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168377858 1072529921 /nfs/dbraw/zinc/52/99/21/1072529921.db2.gz LXTOYSZWUDVWGG-OAQYLSRUSA-N 2 1 403.636 3.678 20 0 HHADMP Cc1[nH+]ccn1CC(=O)c1cccc(-c2noc([C@H]3CCCC[C@@]34CC[NH2+]C4)n2)c1 ZINC001212118381 1072531868 /nfs/dbraw/zinc/53/18/68/1072531868.db2.gz LFMRMJAWXOJLMQ-XXBNENTESA-N 2 1 405.502 3.762 20 0 HHADMP CC[N@@H+](CCC1CC[NH+](CN2C[C@H](c3cccc(OC)c3)CC2=O)CC1)CC1CC1 ZINC000760540942 1072565132 /nfs/dbraw/zinc/56/51/32/1072565132.db2.gz YPMFQEVAJLJFEZ-HSZRJFAPSA-N 2 1 413.606 3.803 20 0 HHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]CC3CCN(C(=O)OC(C)(C)C)CC3)c2)CCO1 ZINC000760664056 1072571611 /nfs/dbraw/zinc/57/16/11/1072571611.db2.gz RJFYIXNEFPUXIH-IBGZPJMESA-N 2 1 417.594 3.644 20 0 HHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]CC3CCN(C(=O)OC(C)(C)C)CC3)c2)CCO1 ZINC000760664056 1072571626 /nfs/dbraw/zinc/57/16/26/1072571626.db2.gz RJFYIXNEFPUXIH-IBGZPJMESA-N 2 1 417.594 3.644 20 0 HHADMP COc1ccc(C[C@](C)(O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000555002695 1073051534 /nfs/dbraw/zinc/05/15/34/1073051534.db2.gz KWISOIVQFLCRQU-SWHJIRTISA-N 2 1 412.574 3.640 20 0 HHADMP COc1ccc(C[C@](C)(O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000555002695 1073051540 /nfs/dbraw/zinc/05/15/40/1073051540.db2.gz KWISOIVQFLCRQU-SWHJIRTISA-N 2 1 412.574 3.640 20 0 HHADMP CC[C@H](C(=O)N1CCC[C@@H]([NH+](C)Cc2ccccn2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000555088870 1073149069 /nfs/dbraw/zinc/14/90/69/1073149069.db2.gz AIEQIVWEQPMUDW-DNQXCXABSA-N 2 1 408.590 3.805 20 0 HHADMP CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1)[NH+](C)Cc1ccccc1 ZINC000555088870 1073149073 /nfs/dbraw/zinc/14/90/73/1073149073.db2.gz AIEQIVWEQPMUDW-DNQXCXABSA-N 2 1 408.590 3.805 20 0 HHADMP CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1)[NH+](C)Cc1ccccc1 ZINC000555088870 1073149076 /nfs/dbraw/zinc/14/90/76/1073149076.db2.gz AIEQIVWEQPMUDW-DNQXCXABSA-N 2 1 408.590 3.805 20 0 HHADMP CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000588710346 1073155097 /nfs/dbraw/zinc/15/50/97/1073155097.db2.gz JVKFFEQAWQSNTG-FGTMMUONSA-N 2 1 405.608 3.557 20 0 HHADMP CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000588710346 1073155099 /nfs/dbraw/zinc/15/50/99/1073155099.db2.gz JVKFFEQAWQSNTG-FGTMMUONSA-N 2 1 405.608 3.557 20 0 HHADMP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000588710198 1073155574 /nfs/dbraw/zinc/15/55/74/1073155574.db2.gz RCTJTLDCZFCLQX-PMACEKPBSA-N 2 1 401.595 3.878 20 0 HHADMP Cc1cc(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc(N2CCCC2)[nH+]1 ZINC000555166836 1073213299 /nfs/dbraw/zinc/21/32/99/1073213299.db2.gz JNYAEGNWCPVWCC-UHFFFAOYSA-N 2 1 407.562 3.585 20 0 HHADMP CCc1nc(C)c([C@@H](C)N(C)C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)s1 ZINC000572507897 1073290465 /nfs/dbraw/zinc/29/04/65/1073290465.db2.gz HKWUROMZZOCICH-QGZVFWFLSA-N 2 1 406.640 3.730 20 0 HHADMP O=C(C1CC[NH+](C2CC2)CC1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000555274166 1073312062 /nfs/dbraw/zinc/31/20/62/1073312062.db2.gz GDVRJTOVHLUJDE-UHFFFAOYSA-N 2 1 401.554 3.775 20 0 HHADMP Clc1ccc(OCc2cccnc2)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000590060202 1073536106 /nfs/dbraw/zinc/53/61/06/1073536106.db2.gz XUYNLMSLFCIREM-UHFFFAOYSA-N 2 1 415.965 3.858 20 0 HHADMP O=C(c1ccccc1)N1CC[C@H](C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000555523934 1073596683 /nfs/dbraw/zinc/59/66/83/1073596683.db2.gz AHQGKAPJMZDXMZ-BVAGGSTKSA-N 2 1 403.570 3.747 20 0 HHADMP O=C(c1ccccc1)N1CC[C@H](C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000555523934 1073596694 /nfs/dbraw/zinc/59/66/94/1073596694.db2.gz AHQGKAPJMZDXMZ-BVAGGSTKSA-N 2 1 403.570 3.747 20 0 HHADMP O=C(c1ccccc1)N1CC[C@H](C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000555523934 1073596703 /nfs/dbraw/zinc/59/67/03/1073596703.db2.gz AHQGKAPJMZDXMZ-BVAGGSTKSA-N 2 1 403.570 3.747 20 0 HHADMP CCc1nccn1C[C@@H]1CCCN1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000572985247 1073877569 /nfs/dbraw/zinc/87/75/69/1073877569.db2.gz FPIPBGSMEPNQLK-PKTZIBPZSA-N 2 1 423.605 3.922 20 0 HHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000572985247 1073877580 /nfs/dbraw/zinc/87/75/80/1073877580.db2.gz FPIPBGSMEPNQLK-PKTZIBPZSA-N 2 1 423.605 3.922 20 0 HHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000572985247 1073877585 /nfs/dbraw/zinc/87/75/85/1073877585.db2.gz FPIPBGSMEPNQLK-PKTZIBPZSA-N 2 1 423.605 3.922 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2OCC[NH+]2CCCC[C@H]2C)C1 ZINC000591100112 1074116567 /nfs/dbraw/zinc/11/65/67/1074116567.db2.gz LNTQWJJCZPMSAL-RTWAWAEBSA-N 2 1 401.595 3.790 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000591100112 1074116572 /nfs/dbraw/zinc/11/65/72/1074116572.db2.gz LNTQWJJCZPMSAL-RTWAWAEBSA-N 2 1 401.595 3.790 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)C1 ZINC000591100112 1074116577 /nfs/dbraw/zinc/11/65/77/1074116577.db2.gz LNTQWJJCZPMSAL-RTWAWAEBSA-N 2 1 401.595 3.790 20 0 HHADMP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000591571100 1074416770 /nfs/dbraw/zinc/41/67/70/1074416770.db2.gz BTVQGIYAEBOZQQ-INIZCTEOSA-N 2 1 401.382 3.551 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000591581248 1074424663 /nfs/dbraw/zinc/42/46/63/1074424663.db2.gz LMNCUEZOVIYFKV-QHCPKHFHSA-N 2 1 400.611 3.982 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC000591617468 1074444028 /nfs/dbraw/zinc/44/40/28/1074444028.db2.gz VSGJXMDYSIEOAV-NRFANRHFSA-N 2 1 408.590 3.787 20 0 HHADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1CCCCC1 ZINC000591656074 1074455945 /nfs/dbraw/zinc/45/59/45/1074455945.db2.gz HSQFEEWIFMHETD-DHIUTWEWSA-N 2 1 414.594 3.514 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000574101983 1075167262 /nfs/dbraw/zinc/16/72/62/1075167262.db2.gz RWKHMKCEABRFFP-RTOPKKFASA-N 2 1 408.586 3.942 20 0 HHADMP C[NH+](C)CCCOc1ccc(NC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000593501179 1075205538 /nfs/dbraw/zinc/20/55/38/1075205538.db2.gz WEVBEQKSROGFAF-UHFFFAOYSA-N 2 1 424.589 3.976 20 0 HHADMP C[C@]12CCC[N@@H+]1C[C@H](c1noc([C@H]3CCC[NH+](Cc4cccc(F)c4)C3)n1)OC2 ZINC000574318657 1075219609 /nfs/dbraw/zinc/21/96/09/1075219609.db2.gz ZSUKJGAFDLGVRG-LRXVAGHRSA-N 2 1 400.498 3.514 20 0 HHADMP C[C@]12CCC[N@H+]1C[C@H](c1noc([C@H]3CCC[NH+](Cc4cccc(F)c4)C3)n1)OC2 ZINC000574318657 1075219612 /nfs/dbraw/zinc/21/96/12/1075219612.db2.gz ZSUKJGAFDLGVRG-LRXVAGHRSA-N 2 1 400.498 3.514 20 0 HHADMP C[C@]12CCC[NH+]1C[C@H](c1noc([C@H]3CCC[N@H+](Cc4cccc(F)c4)C3)n1)OC2 ZINC000574318657 1075219616 /nfs/dbraw/zinc/21/96/16/1075219616.db2.gz ZSUKJGAFDLGVRG-LRXVAGHRSA-N 2 1 400.498 3.514 20 0 HHADMP C[C@]12CCC[NH+]1C[C@H](c1noc([C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)n1)OC2 ZINC000574318657 1075219619 /nfs/dbraw/zinc/21/96/19/1075219619.db2.gz ZSUKJGAFDLGVRG-LRXVAGHRSA-N 2 1 400.498 3.514 20 0 HHADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000594250153 1075271509 /nfs/dbraw/zinc/27/15/09/1075271509.db2.gz RSANNAYEFGOREF-FQEVSTJZSA-N 2 1 402.608 3.718 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)CC2)cs1 ZINC000597723710 1075698156 /nfs/dbraw/zinc/69/81/56/1075698156.db2.gz RPNDDWLQHXOMNY-LLGFUMIMSA-N 2 1 404.624 3.527 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)CC2)cs1 ZINC000597723710 1075698164 /nfs/dbraw/zinc/69/81/64/1075698164.db2.gz RPNDDWLQHXOMNY-LLGFUMIMSA-N 2 1 404.624 3.527 20 0 HHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CC[C@@H]5C[C@]5([NH3+])C4)c23)C1 ZINC001164419338 718896549 /nfs/dbraw/zinc/89/65/49/718896549.db2.gz IERGWERAOUKBBL-LNPFQXMTSA-N 2 1 411.619 3.730 20 0 HHADMP Clc1cc(C2CC[NH2+]CC2)nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164628647 719069293 /nfs/dbraw/zinc/06/92/93/719069293.db2.gz TUADCYWLTBTMCB-TZIWHRDSSA-N 2 1 411.981 3.698 20 0 HHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc1 ZINC001164740259 720592629 /nfs/dbraw/zinc/59/26/29/720592629.db2.gz ICLPNIHXDZYGLP-HSZRJFAPSA-N 2 1 422.621 3.874 20 0 HHADMP Cc1cccc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164744788 720853287 /nfs/dbraw/zinc/85/32/87/720853287.db2.gz CJXDDPKQPMYKSA-BHDDXSALSA-N 2 1 402.546 3.514 20 0 HHADMP Cc1cccc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164744788 720853289 /nfs/dbraw/zinc/85/32/89/720853289.db2.gz CJXDDPKQPMYKSA-BHDDXSALSA-N 2 1 402.546 3.514 20 0 HHADMP Cc1c[nH+]c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc1C ZINC001164750062 720921990 /nfs/dbraw/zinc/92/19/90/720921990.db2.gz IYLVCPBFFMIYJK-ILBGXUMGSA-N 2 1 406.574 3.849 20 0 HHADMP Cc1c[nH+]c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc1C ZINC001164750062 720921998 /nfs/dbraw/zinc/92/19/98/720921998.db2.gz IYLVCPBFFMIYJK-ILBGXUMGSA-N 2 1 406.574 3.849 20 0 HHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164877601 721179982 /nfs/dbraw/zinc/17/99/82/721179982.db2.gz OYLSTQXREXUXCO-KMDXXIMOSA-N 2 1 421.589 3.503 20 0 HHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164877601 721179987 /nfs/dbraw/zinc/17/99/87/721179987.db2.gz OYLSTQXREXUXCO-KMDXXIMOSA-N 2 1 421.589 3.503 20 0 HHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164877601 721179995 /nfs/dbraw/zinc/17/99/95/721179995.db2.gz OYLSTQXREXUXCO-KMDXXIMOSA-N 2 1 421.589 3.503 20 0 HHADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc[nH+]c(N3CCCCC3)n1)CC2 ZINC001164796350 721499919 /nfs/dbraw/zinc/49/99/19/721499919.db2.gz QVVGQHZUHHZCIU-UHFFFAOYSA-N 2 1 406.578 3.743 20 0 HHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc[nH+]c(N3CCCCC3)n1)CC2 ZINC001164796350 721499922 /nfs/dbraw/zinc/49/99/22/721499922.db2.gz QVVGQHZUHHZCIU-UHFFFAOYSA-N 2 1 406.578 3.743 20 0 HHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc4c3CC[NH2+]C4)C[C@H]21 ZINC001165023265 721821578 /nfs/dbraw/zinc/82/15/78/721821578.db2.gz ILVJZIUBJHOFLR-OZOXKJRCSA-N 2 1 411.981 3.513 20 0 HHADMP C[NH+](Cc1ccccn1)[C@H]1CCC[C@H]2CN(c3ccc(C[N@H+](C)C4CC4)cn3)C[C@H]21 ZINC001165020641 721826360 /nfs/dbraw/zinc/82/63/60/721826360.db2.gz CYHRQCLVFOMJBA-ZTCOLXNVSA-N 2 1 405.590 3.808 20 0 HHADMP C[NH+](Cc1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1)C1CC1 ZINC001165020641 721826361 /nfs/dbraw/zinc/82/63/61/721826361.db2.gz CYHRQCLVFOMJBA-ZTCOLXNVSA-N 2 1 405.590 3.808 20 0 HHADMP C[NH+](Cc1ccc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1)C1CC1 ZINC001165020641 721826363 /nfs/dbraw/zinc/82/63/63/721826363.db2.gz CYHRQCLVFOMJBA-ZTCOLXNVSA-N 2 1 405.590 3.808 20 0 HHADMP CN(CC1CC[NH+](C)CC1)c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001165042091 721937070 /nfs/dbraw/zinc/93/70/70/721937070.db2.gz FSTNIIHYTAKDAQ-UHFFFAOYSA-N 2 1 413.635 3.944 20 0 HHADMP CC[NH+]1CCN([C@@H]2CCN(c3c(C)c(C)[nH+]c4ccc(Br)cc43)C2)CC1 ZINC000301389234 970902345 /nfs/dbraw/zinc/90/23/45/970902345.db2.gz FLDLHULMBGWRLU-GOSISDBHSA-N 2 1 417.395 3.830 20 0 HHADMP CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(CC[NH+]4CCCC4)cc3)cc2F)CC1 ZINC000303035344 971468639 /nfs/dbraw/zinc/46/86/39/971468639.db2.gz OPSFTIJNISTCJR-UHFFFAOYSA-N 2 1 424.564 3.858 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000303164422 971537370 /nfs/dbraw/zinc/53/73/70/971537370.db2.gz FRVZLOQCUUNFTR-FCHUYYIVSA-N 2 1 412.622 3.731 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000303475701 971776062 /nfs/dbraw/zinc/77/60/62/971776062.db2.gz OTKNUYTUNMXAEC-YPAWHYETSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000303475701 971776066 /nfs/dbraw/zinc/77/60/66/971776066.db2.gz OTKNUYTUNMXAEC-YPAWHYETSA-N 2 1 400.611 3.660 20 0 HHADMP COc1ccc([C@@H](CNC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000303520124 971821483 /nfs/dbraw/zinc/82/14/83/971821483.db2.gz YVVZSEKSURFMEE-GBXCKJPGSA-N 2 1 424.589 3.652 20 0 HHADMP CCOc1ccc(OC[C@H](O)C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000303737385 971990777 /nfs/dbraw/zinc/99/07/77/971990777.db2.gz HCRWAXQDNISFCL-ACIOBRDBSA-N 2 1 412.574 3.810 20 0 HHADMP CCOc1ccc(OC[C@H](O)C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000303737385 971990784 /nfs/dbraw/zinc/99/07/84/971990784.db2.gz HCRWAXQDNISFCL-ACIOBRDBSA-N 2 1 412.574 3.810 20 0 HHADMP CCOc1ccc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000303737385 971990790 /nfs/dbraw/zinc/99/07/90/971990790.db2.gz HCRWAXQDNISFCL-ACIOBRDBSA-N 2 1 412.574 3.810 20 0 HHADMP CCOc1ccc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000303737385 971990795 /nfs/dbraw/zinc/99/07/95/971990795.db2.gz HCRWAXQDNISFCL-ACIOBRDBSA-N 2 1 412.574 3.810 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)[NH+](C)C)cc1 ZINC000303785783 972026519 /nfs/dbraw/zinc/02/65/19/972026519.db2.gz DMAYZHJXCJSKLP-XUZZJYLKSA-N 2 1 408.590 3.904 20 0 HHADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(Br)c4cccnc34)C2)CC1 ZINC000542279419 1013239490 /nfs/dbraw/zinc/23/94/90/1013239490.db2.gz VHBIUTIZZQNWAQ-SFHVURJKSA-N 2 1 417.395 3.598 20 0 HHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(Br)c4cccnc34)C2)CC1 ZINC000542279419 1013239497 /nfs/dbraw/zinc/23/94/97/1013239497.db2.gz VHBIUTIZZQNWAQ-SFHVURJKSA-N 2 1 417.395 3.598 20 0 HHADMP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000553293827 1013251354 /nfs/dbraw/zinc/25/13/54/1013251354.db2.gz LGIKBLRLFWEILO-DNVCBOLYSA-N 2 1 412.441 3.849 20 0 HHADMP CC(C)OCC[NH+]1CCC(NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000542351640 1013309543 /nfs/dbraw/zinc/30/95/43/1013309543.db2.gz NSEBDMOLPDCPDX-UHFFFAOYSA-N 2 1 423.601 3.938 20 0 HHADMP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542367413 1013322674 /nfs/dbraw/zinc/32/26/74/1013322674.db2.gz UKNJRKRSIHOOEB-OAQYLSRUSA-N 2 1 421.589 3.921 20 0 HHADMP C[NH+]1CCN(C[C@H]([NH2+]Cc2cc(F)cc(Br)c2)c2ccccc2)CC1 ZINC000553435740 1013352594 /nfs/dbraw/zinc/35/25/94/1013352594.db2.gz PCRUDOXHYATMRQ-FQEVSTJZSA-N 2 1 406.343 3.667 20 0 HHADMP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000537841943 1013403151 /nfs/dbraw/zinc/40/31/51/1013403151.db2.gz QCLPDMYEODLGFU-NRFANRHFSA-N 2 1 424.589 3.512 20 0 HHADMP C[N@H+](CCC(=O)NCc1ccccc1Cl)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537844241 1013407726 /nfs/dbraw/zinc/40/77/26/1013407726.db2.gz VXDOPKOCTQDGQJ-UHFFFAOYSA-N 2 1 414.981 3.980 20 0 HHADMP C[C@H](CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1)[NH+]1CCCCC1 ZINC000542487737 1013434171 /nfs/dbraw/zinc/43/41/71/1013434171.db2.gz RUYLPLYENUWQNJ-UXHICEINSA-N 2 1 407.624 3.776 20 0 HHADMP Cc1ccccc1[C@H](C[NH+]1CCOCC1)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000542499483 1013444151 /nfs/dbraw/zinc/44/41/51/1013444151.db2.gz CHMLDERPNUPYJW-SANMLTNESA-N 2 1 423.601 3.685 20 0 HHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000542529170 1013471059 /nfs/dbraw/zinc/47/10/59/1013471059.db2.gz QLMIWEPQPPCMKG-KKUMJFAQSA-N 2 1 409.477 3.578 20 0 HHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000542529170 1013471067 /nfs/dbraw/zinc/47/10/67/1013471067.db2.gz QLMIWEPQPPCMKG-KKUMJFAQSA-N 2 1 409.477 3.578 20 0 HHADMP C[C@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542531481 1013473946 /nfs/dbraw/zinc/47/39/46/1013473946.db2.gz KXYDJSZBGFJPMF-ZOBUZTSGSA-N 2 1 401.378 3.976 20 0 HHADMP C[C@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542531476 1013473982 /nfs/dbraw/zinc/47/39/82/1013473982.db2.gz KXYDJSZBGFJPMF-YQQAZPJKSA-N 2 1 401.378 3.976 20 0 HHADMP C[C@H]1C[NH+](Cc2ccc(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)cc2)C[C@H](C)O1 ZINC000025126189 964186388 /nfs/dbraw/zinc/18/63/88/964186388.db2.gz WLGUEVVAZSMJDE-SFTDATJTSA-N 2 1 421.585 3.822 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(F)c1 ZINC000050137160 964274855 /nfs/dbraw/zinc/27/48/55/964274855.db2.gz INRDCHYKSJUYII-DYESRHJHSA-N 2 1 418.582 3.701 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(F)c1 ZINC000050137157 964275751 /nfs/dbraw/zinc/27/57/51/964275751.db2.gz INRDCHYKSJUYII-UWJYYQICSA-N 2 1 418.582 3.701 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537902366 1013487013 /nfs/dbraw/zinc/48/70/13/1013487013.db2.gz QSIBUGYWCDVMKO-NRFANRHFSA-N 2 1 421.589 3.604 20 0 HHADMP CC(C)[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000027451026 964897155 /nfs/dbraw/zinc/89/71/55/964897155.db2.gz BDCFBPZLVSMWEU-GBXCKJPGSA-N 2 1 409.574 3.510 20 0 HHADMP CC(C)[C@@H]([NH2+][C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000027451032 964897227 /nfs/dbraw/zinc/89/72/27/964897227.db2.gz BDCFBPZLVSMWEU-HYBUGGRVSA-N 2 1 409.574 3.510 20 0 HHADMP C[C@H]1C[NH+](Cc2ccc(C(=O)NCC3([NH+](C)C)CCCCCC3)cc2)C[C@H](C)O1 ZINC000028940989 965223118 /nfs/dbraw/zinc/22/31/18/965223118.db2.gz GKMAXZROEYUQOB-PMACEKPBSA-N 2 1 401.595 3.680 20 0 HHADMP CN(CCC[N@H+](C)Cc1ccco1)C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000553703132 1013558763 /nfs/dbraw/zinc/55/87/63/1013558763.db2.gz YVMUMVACJWONRO-LEWJYISDSA-N 2 1 418.969 3.842 20 0 HHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000553703132 1013558773 /nfs/dbraw/zinc/55/87/73/1013558773.db2.gz YVMUMVACJWONRO-LEWJYISDSA-N 2 1 418.969 3.842 20 0 HHADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000553703132 1013558780 /nfs/dbraw/zinc/55/87/80/1013558780.db2.gz YVMUMVACJWONRO-LEWJYISDSA-N 2 1 418.969 3.842 20 0 HHADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000553703132 1013558788 /nfs/dbraw/zinc/55/87/88/1013558788.db2.gz YVMUMVACJWONRO-LEWJYISDSA-N 2 1 418.969 3.842 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1F ZINC000553704147 1013559005 /nfs/dbraw/zinc/55/90/05/1013559005.db2.gz XGHVUIHOOAAOIT-RUZDIDTESA-N 2 1 424.564 3.695 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000537989286 1013563690 /nfs/dbraw/zinc/56/36/90/1013563690.db2.gz ALZXJSBTDDDEFU-PXDATVDWSA-N 2 1 401.554 3.897 20 0 HHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(OCc3ccncc3)cc2)c2cccs2)CC1 ZINC000030543804 965724534 /nfs/dbraw/zinc/72/45/34/965724534.db2.gz VBZYQHQXQJKUEX-QHCPKHFHSA-N 2 1 422.598 3.800 20 0 HHADMP CC[NH+](CC)CC(=O)Nc1ccccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000058878078 965938024 /nfs/dbraw/zinc/93/80/24/965938024.db2.gz BCDNIKJRUFGJIX-UHFFFAOYSA-N 2 1 411.546 3.542 20 0 HHADMP CC[NH+](CC)CC(=O)Nc1ccccc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000058878078 965938031 /nfs/dbraw/zinc/93/80/31/965938031.db2.gz BCDNIKJRUFGJIX-UHFFFAOYSA-N 2 1 411.546 3.542 20 0 HHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000058888146 965941742 /nfs/dbraw/zinc/94/17/42/965941742.db2.gz IVMJADKCCBHTJA-UHFFFAOYSA-N 2 1 410.562 3.757 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(OC)c1 ZINC000059951604 966045431 /nfs/dbraw/zinc/04/54/31/966045431.db2.gz JQHJMCZUVWFZAI-DNQXCXABSA-N 2 1 409.574 3.859 20 0 HHADMP CC(C)(C)[N@H+]1CCCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000060534911 966194973 /nfs/dbraw/zinc/19/49/73/966194973.db2.gz RQAVFYGNFYQTQA-UHFFFAOYSA-N 2 1 407.002 3.820 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000538058156 1013635134 /nfs/dbraw/zinc/63/51/34/1013635134.db2.gz RNJNRUKJNAVHMK-MSOLQXFVSA-N 2 1 401.576 3.559 20 0 HHADMP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CC[NH+](CCc2cccs2)CC1 ZINC000056554594 966371692 /nfs/dbraw/zinc/37/16/92/966371692.db2.gz GPPYGMOKBSYYNE-IBGZPJMESA-N 2 1 418.632 3.516 20 0 HHADMP C[N@@H+](CCCNC(=O)NCc1ccccc1C[NH+]1CCCCC1)Cc1ccccc1 ZINC000061501093 966482564 /nfs/dbraw/zinc/48/25/64/966482564.db2.gz HWENGWZSWFLAEC-UHFFFAOYSA-N 2 1 408.590 3.994 20 0 HHADMP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000061792809 966556989 /nfs/dbraw/zinc/55/69/89/966556989.db2.gz LZLIZPMDAMKQRK-UHFFFAOYSA-N 2 1 424.614 3.628 20 0 HHADMP COc1ccc([C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C(C)C)cc1 ZINC000538100480 1013669715 /nfs/dbraw/zinc/66/97/15/1013669715.db2.gz FQFYYDCYQOXPQB-VWNXMTODSA-N 2 1 409.574 3.879 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000043238807 966934344 /nfs/dbraw/zinc/93/43/44/966934344.db2.gz YPANLCNQQZNQCU-DEOSSOPVSA-N 2 1 406.574 3.533 20 0 HHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000542840826 1013701865 /nfs/dbraw/zinc/70/18/65/1013701865.db2.gz YECKZXQWQUCFDR-XWZAUIMXSA-N 2 1 405.533 3.869 20 0 HHADMP COc1ccc([C@H](C)[NH2+]CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)cc1F ZINC000538141008 1013702331 /nfs/dbraw/zinc/70/23/31/1013702331.db2.gz HFCXIZVCUBBZIU-IBGZPJMESA-N 2 1 413.537 3.528 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCOc4cc(F)ccc43)c2)C1 ZINC000542844330 1013704142 /nfs/dbraw/zinc/70/41/42/1013704142.db2.gz RIBXIMPOQWCISN-UGKGYDQZSA-N 2 1 411.521 3.527 20 0 HHADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000542845523 1013705194 /nfs/dbraw/zinc/70/51/94/1013705194.db2.gz AZDGBEVDUDQUDO-KKSFZXQISA-N 2 1 408.571 3.931 20 0 HHADMP COC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(C(F)(F)F)c1 ZINC000542847368 1013706248 /nfs/dbraw/zinc/70/62/48/1013706248.db2.gz QBNGGGUCTDDRQI-SFTDATJTSA-N 2 1 408.464 3.749 20 0 HHADMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000065172431 967399307 /nfs/dbraw/zinc/39/93/07/967399307.db2.gz ZIVVNUBSPVOAJB-INIZCTEOSA-N 2 1 419.791 3.647 20 0 HHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000065172431 967399313 /nfs/dbraw/zinc/39/93/13/967399313.db2.gz ZIVVNUBSPVOAJB-INIZCTEOSA-N 2 1 419.791 3.647 20 0 HHADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000045975915 967614249 /nfs/dbraw/zinc/61/42/49/967614249.db2.gz VCTDHGMQDHKIDR-HXUWFJFHSA-N 2 1 401.599 3.523 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000553981815 1013735524 /nfs/dbraw/zinc/73/55/24/1013735524.db2.gz QDEMONKPYVYHSC-PSWRPDDJSA-N 2 1 409.599 3.884 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000553981815 1013735532 /nfs/dbraw/zinc/73/55/32/1013735532.db2.gz QDEMONKPYVYHSC-PSWRPDDJSA-N 2 1 409.599 3.884 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2CNC(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC000047127981 968062106 /nfs/dbraw/zinc/06/21/06/968062106.db2.gz RVCISPXFBGIZGZ-OALUTQOASA-N 2 1 410.562 3.679 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)NCc1ccccc1C[N@H+](C)C(C)C)[NH+](C)C ZINC000047914249 968361118 /nfs/dbraw/zinc/36/11/18/968361118.db2.gz RUFVBXWGFNFEOL-QFIPXVFZSA-N 2 1 412.578 3.638 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)NCc1ccccc1C[N@@H+](C)C(C)C)[NH+](C)C ZINC000047914249 968361136 /nfs/dbraw/zinc/36/11/36/968361136.db2.gz RUFVBXWGFNFEOL-QFIPXVFZSA-N 2 1 412.578 3.638 20 0 HHADMP C[NH+](C)[C@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000066046800 968781522 /nfs/dbraw/zinc/78/15/22/968781522.db2.gz HOEIASAUWHYQCE-QHCPKHFHSA-N 2 1 408.546 3.743 20 0 HHADMP C[NH+]1CCC2(CC1)C[C@@H]([NH2+][C@@H]1CCN(c3ccccc3F)C1=O)c1ccccc1O2 ZINC000538297471 1013833032 /nfs/dbraw/zinc/83/30/32/1013833032.db2.gz SLJJEMVWCDVJTD-WOJBJXKFSA-N 2 1 409.505 3.509 20 0 HHADMP Cc1cccc(C[NH+]2CCN(C(=O)NC3CC[NH+](Cc4ccccc4C)CC3)CC2)c1 ZINC000071927169 968891875 /nfs/dbraw/zinc/89/18/75/968891875.db2.gz DOUKUKMJVUCSCT-UHFFFAOYSA-N 2 1 420.601 3.795 20 0 HHADMP COc1ccc([C@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000072027249 968941170 /nfs/dbraw/zinc/94/11/70/968941170.db2.gz IHDQCJOQJJARHA-RPWUZVMVSA-N 2 1 407.558 3.613 20 0 HHADMP COc1cccc([C@@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)[NH+]2CCCC2)c1 ZINC000072027243 968941192 /nfs/dbraw/zinc/94/11/92/968941192.db2.gz FSFAXUWLRUKWRH-DNQXCXABSA-N 2 1 407.558 3.613 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)[NH+](C)C)cc1 ZINC000078872855 969019967 /nfs/dbraw/zinc/01/99/67/969019967.db2.gz YDXKRWKRHFMBFA-AUSIDOKSSA-N 2 1 410.562 3.813 20 0 HHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000109312945 969496153 /nfs/dbraw/zinc/49/61/53/969496153.db2.gz UMPXOTJIEZKHLC-RUZDIDTESA-N 2 1 420.601 3.816 20 0 HHADMP O=C(NC[C@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000109312945 969496158 /nfs/dbraw/zinc/49/61/58/969496158.db2.gz UMPXOTJIEZKHLC-RUZDIDTESA-N 2 1 420.601 3.816 20 0 HHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)CC1 ZINC000554262955 1013882346 /nfs/dbraw/zinc/88/23/46/1013882346.db2.gz FGQCGUPWBLXWQL-GBXCKJPGSA-N 2 1 406.574 3.507 20 0 HHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)CC1 ZINC000554262955 1013882353 /nfs/dbraw/zinc/88/23/53/1013882353.db2.gz FGQCGUPWBLXWQL-GBXCKJPGSA-N 2 1 406.574 3.507 20 0 HHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@@H](C)C[C@@H]2c2cccnc2)CC1 ZINC000554262955 1013882360 /nfs/dbraw/zinc/88/23/60/1013882360.db2.gz FGQCGUPWBLXWQL-GBXCKJPGSA-N 2 1 406.574 3.507 20 0 HHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@@H](C)C[C@@H]2c2cccnc2)CC1 ZINC000554262955 1013882367 /nfs/dbraw/zinc/88/23/67/1013882367.db2.gz FGQCGUPWBLXWQL-GBXCKJPGSA-N 2 1 406.574 3.507 20 0 HHADMP CCc1ccc([C@H](CNC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)[NH+](C)C)cc1 ZINC000110439997 969668350 /nfs/dbraw/zinc/66/83/50/969668350.db2.gz ZJGJGKRCHPDFBN-QFIPXVFZSA-N 2 1 414.619 3.645 20 0 HHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000110911865 969739675 /nfs/dbraw/zinc/73/96/75/969739675.db2.gz HFSMJEWQSKLTIC-UHFFFAOYSA-N 2 1 418.578 3.834 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000110911865 969739679 /nfs/dbraw/zinc/73/96/79/969739679.db2.gz HFSMJEWQSKLTIC-UHFFFAOYSA-N 2 1 418.578 3.834 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NCC(C)(C)[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)cs1 ZINC000111215255 969806322 /nfs/dbraw/zinc/80/63/22/969806322.db2.gz JUQYHIKZULIQGJ-IRXDYDNUSA-N 2 1 406.640 3.536 20 0 HHADMP CCN(C(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000116395350 969891155 /nfs/dbraw/zinc/89/11/55/969891155.db2.gz KPYFFFIMNDRRFW-GPUOULLFSA-N 2 1 420.601 3.978 20 0 HHADMP CCN(C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000116395350 969891159 /nfs/dbraw/zinc/89/11/59/969891159.db2.gz KPYFFFIMNDRRFW-GPUOULLFSA-N 2 1 420.601 3.978 20 0 HHADMP CCN(C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000116395350 969891162 /nfs/dbraw/zinc/89/11/62/969891162.db2.gz KPYFFFIMNDRRFW-GPUOULLFSA-N 2 1 420.601 3.978 20 0 HHADMP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000116544981 969903477 /nfs/dbraw/zinc/90/34/77/969903477.db2.gz IBUNCRGGRKHLBS-QFIPXVFZSA-N 2 1 407.583 3.860 20 0 HHADMP Cc1ccc(N2CCC(C(=O)NCC3CC[NH+](Cc4ccccc4)CC3)CC2)[nH+]c1 ZINC000195668247 969944176 /nfs/dbraw/zinc/94/41/76/969944176.db2.gz ULPYNKCEEAYZRI-UHFFFAOYSA-N 2 1 406.574 3.635 20 0 HHADMP C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1O2 ZINC000195702063 969967684 /nfs/dbraw/zinc/96/76/84/969967684.db2.gz HKTFANUMOZTRRK-XZOQPEGZSA-N 2 1 419.569 3.755 20 0 HHADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000228932333 970128285 /nfs/dbraw/zinc/12/82/85/970128285.db2.gz ZUIILEJJBWWFLI-BZSNNMDCSA-N 2 1 407.986 3.797 20 0 HHADMP C[C@H]1[C@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000554451171 1013954596 /nfs/dbraw/zinc/95/45/96/1013954596.db2.gz BRMZGOPGHCSNAC-GBXCKJPGSA-N 2 1 406.574 3.613 20 0 HHADMP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2cccc3c2OCCO3)CC1 ZINC000237099776 970221956 /nfs/dbraw/zinc/22/19/56/970221956.db2.gz CSUFPXHMDNZLQO-UHFFFAOYSA-N 2 1 421.463 3.518 20 0 HHADMP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000237171924 970235057 /nfs/dbraw/zinc/23/50/57/970235057.db2.gz JCXAHVPMYZMFIL-UHFFFAOYSA-N 2 1 404.002 3.568 20 0 HHADMP COCCC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000237211289 970242300 /nfs/dbraw/zinc/24/23/00/970242300.db2.gz QAERPIJHJDQYOR-UHFFFAOYSA-N 2 1 405.546 3.525 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccccc3OC3CCCC3)c2)C1 ZINC000237939482 970399526 /nfs/dbraw/zinc/39/95/26/970399526.db2.gz YNAXJTKKWCOROX-QHCPKHFHSA-N 2 1 421.585 3.995 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc(NC(=O)C(C)(C)C)cc1C ZINC000261379354 970636533 /nfs/dbraw/zinc/63/65/33/970636533.db2.gz BOZGEHAUQQVGHU-KRWDZBQOSA-N 2 1 422.639 3.529 20 0 HHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000389148571 972810094 /nfs/dbraw/zinc/81/00/94/972810094.db2.gz WPULOWLNJNWNCW-SJLPKXTDSA-N 2 1 416.363 3.888 20 0 HHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000389148571 972810107 /nfs/dbraw/zinc/81/01/07/972810107.db2.gz WPULOWLNJNWNCW-SJLPKXTDSA-N 2 1 416.363 3.888 20 0 HHADMP CO[C@@H](C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000554819841 1014058728 /nfs/dbraw/zinc/05/87/28/1014058728.db2.gz FKIMOKPDDATWFU-QHCPKHFHSA-N 2 1 401.982 3.777 20 0 HHADMP CO[C@@H](C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000554819841 1014058735 /nfs/dbraw/zinc/05/87/35/1014058735.db2.gz FKIMOKPDDATWFU-QHCPKHFHSA-N 2 1 401.982 3.777 20 0 HHADMP C[NH+](C)CCN1CCC(NC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000410317654 973862692 /nfs/dbraw/zinc/86/26/92/973862692.db2.gz MHZCOLOTIWTVLS-UHFFFAOYSA-N 2 1 415.626 3.599 20 0 HHADMP CN(C)CC[NH+]1CCC(NC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC000410317654 973862698 /nfs/dbraw/zinc/86/26/98/973862698.db2.gz MHZCOLOTIWTVLS-UHFFFAOYSA-N 2 1 415.626 3.599 20 0 HHADMP CN(C)CC[NH+]1CCC(NC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000410317654 973862708 /nfs/dbraw/zinc/86/27/08/973862708.db2.gz MHZCOLOTIWTVLS-UHFFFAOYSA-N 2 1 415.626 3.599 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000410392799 973991052 /nfs/dbraw/zinc/99/10/52/973991052.db2.gz MCEPPAXOFCUVEH-FQEVSTJZSA-N 2 1 408.590 3.980 20 0 HHADMP COc1cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ccc1OCCOc1ccccc1Cl ZINC000425960372 974063759 /nfs/dbraw/zinc/06/37/59/974063759.db2.gz OBPAOTJGBFRREZ-KDURUIRLSA-N 2 1 416.949 3.800 20 0 HHADMP CC[N@@H+](CCNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)CCC(F)(F)F ZINC000425973625 974080015 /nfs/dbraw/zinc/08/00/15/974080015.db2.gz KGYPJAQVXBSAIA-UHFFFAOYSA-N 2 1 406.537 3.603 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2ccccc2n1CC(F)(F)F ZINC000426120442 974243943 /nfs/dbraw/zinc/24/39/43/974243943.db2.gz QXVJJZOOOXBYRX-GOSISDBHSA-N 2 1 424.511 3.692 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C[C@H]1C ZINC000426142858 974263225 /nfs/dbraw/zinc/26/32/25/974263225.db2.gz WPDCFFGKZFDHLN-CTNGQTDRSA-N 2 1 402.583 3.888 20 0 HHADMP CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)c1 ZINC000426313552 974389755 /nfs/dbraw/zinc/38/97/55/974389755.db2.gz NEBNNQPZYILBII-UHFFFAOYSA-N 2 1 413.472 3.975 20 0 HHADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)c1 ZINC000426313552 974389765 /nfs/dbraw/zinc/38/97/65/974389765.db2.gz NEBNNQPZYILBII-UHFFFAOYSA-N 2 1 413.472 3.975 20 0 HHADMP COc1ccc(CC[C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1O ZINC000426409402 974436320 /nfs/dbraw/zinc/43/63/20/974436320.db2.gz GZDUNDIDQGACIJ-NFBKMPQASA-N 2 1 411.590 3.690 20 0 HHADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccn(-c4ccc(F)cc4)n3)CC2)C[C@H](C)O1 ZINC000426765326 974643039 /nfs/dbraw/zinc/64/30/39/974643039.db2.gz MOGQXZNGKLSGHF-KDURUIRLSA-N 2 1 400.542 3.723 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccn(-c4ccc(F)cc4)n3)CC2)C[C@H](C)O1 ZINC000426765326 974643044 /nfs/dbraw/zinc/64/30/44/974643044.db2.gz MOGQXZNGKLSGHF-KDURUIRLSA-N 2 1 400.542 3.723 20 0 HHADMP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426786677 974658433 /nfs/dbraw/zinc/65/84/33/974658433.db2.gz XHYUDAKYQYIQRK-NJYVYQBISA-N 2 1 401.595 3.842 20 0 HHADMP CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000426826492 974691159 /nfs/dbraw/zinc/69/11/59/974691159.db2.gz OZBGREJQDSYGOY-FHWLQOOXSA-N 2 1 419.635 3.947 20 0 HHADMP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@@H](c3cccc(Cl)c3)[NH+](C)C)CC2)C[C@H](C)O1 ZINC000427321629 975051645 /nfs/dbraw/zinc/05/16/45/975051645.db2.gz QGIDLVHIPZUERZ-KGVIQGDOSA-N 2 1 422.013 3.681 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@@H](c3cccc(Cl)c3)[NH+](C)C)CC2)C[C@H](C)O1 ZINC000427321629 975051650 /nfs/dbraw/zinc/05/16/50/975051650.db2.gz QGIDLVHIPZUERZ-KGVIQGDOSA-N 2 1 422.013 3.681 20 0 HHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ncc(Br)cc1F ZINC000427708776 975246845 /nfs/dbraw/zinc/24/68/45/975246845.db2.gz BYGKJYZSLZPENR-AWEZNQCLSA-N 2 1 422.342 3.791 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]Cc4cccnc4N4CCOCC4)[C@H]3C2)cc1 ZINC000428245034 975562373 /nfs/dbraw/zinc/56/23/73/975562373.db2.gz ZYXHSPIMQQKUSE-SDHOMARFSA-N 2 1 420.601 3.699 20 0 HHADMP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000428753115 976026690 /nfs/dbraw/zinc/02/66/90/976026690.db2.gz MDWVWKDXYQRGLK-YZUZCNPQSA-N 2 1 408.590 3.859 20 0 HHADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000428753115 976026705 /nfs/dbraw/zinc/02/67/05/976026705.db2.gz MDWVWKDXYQRGLK-YZUZCNPQSA-N 2 1 408.590 3.859 20 0 HHADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000428753115 976026719 /nfs/dbraw/zinc/02/67/19/976026719.db2.gz MDWVWKDXYQRGLK-YZUZCNPQSA-N 2 1 408.590 3.859 20 0 HHADMP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2nc3ccc(F)cc3s2)cc1 ZINC000428875453 976166139 /nfs/dbraw/zinc/16/61/39/976166139.db2.gz FWZYZAZUNIMWAT-UHFFFAOYSA-N 2 1 412.534 3.551 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)NCC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000429022792 976304591 /nfs/dbraw/zinc/30/45/91/976304591.db2.gz AACAXYBYUJGEER-UTKZUKDTSA-N 2 1 422.976 3.646 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000429262630 976551097 /nfs/dbraw/zinc/55/10/97/976551097.db2.gz VFWXUDPGGPSDCR-HXUWFJFHSA-N 2 1 404.505 3.627 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000429262630 976551111 /nfs/dbraw/zinc/55/11/11/976551111.db2.gz VFWXUDPGGPSDCR-HXUWFJFHSA-N 2 1 404.505 3.627 20 0 HHADMP C[C@@H]1CN(C2CCC2)CC[N@H+](CCCCCN2CC[NH+](C3CCC3)C[C@@H](C)C2)C1 ZINC000429356183 976622646 /nfs/dbraw/zinc/62/26/46/976622646.db2.gz UEAILBCPEGTHFZ-GOTSBHOMSA-N 2 1 404.687 3.769 20 0 HHADMP C[C@@H]1CN(C2CCC2)CC[NH+](CCCCCN2CC[N@@H+](C3CCC3)C[C@@H](C)C2)C1 ZINC000429356183 976622650 /nfs/dbraw/zinc/62/26/50/976622650.db2.gz UEAILBCPEGTHFZ-GOTSBHOMSA-N 2 1 404.687 3.769 20 0 HHADMP C[C@@H]1CN(C2CCC2)CC[NH+](CCCCCN2CC[N@H+](C3CCC3)C[C@@H](C)C2)C1 ZINC000429356183 976622655 /nfs/dbraw/zinc/62/26/55/976622655.db2.gz UEAILBCPEGTHFZ-GOTSBHOMSA-N 2 1 404.687 3.769 20 0 HHADMP C[C@H]1CN(CCCCCN2CC[N@@H+](C3CCC3)C[C@@H](C)C2)CC[NH+](C2CCC2)C1 ZINC000429356183 976622662 /nfs/dbraw/zinc/62/26/62/976622662.db2.gz UEAILBCPEGTHFZ-GOTSBHOMSA-N 2 1 404.687 3.769 20 0 HHADMP C[C@H]1CN(CCCCCN2CC[N@H+](C3CCC3)C[C@@H](C)C2)CC[NH+](C2CCC2)C1 ZINC000429356183 976622667 /nfs/dbraw/zinc/62/26/67/976622667.db2.gz UEAILBCPEGTHFZ-GOTSBHOMSA-N 2 1 404.687 3.769 20 0 HHADMP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000429490289 976748307 /nfs/dbraw/zinc/74/83/07/976748307.db2.gz LOTFBKHMAZGSLN-NFBKMPQASA-N 2 1 412.622 3.587 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)C[C@H]1C ZINC000429497574 976754225 /nfs/dbraw/zinc/75/42/25/976754225.db2.gz QXZQFUSAXLZNKN-WTIAFYNJSA-N 2 1 414.638 3.974 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)C[C@H]1C ZINC000429497574 976754229 /nfs/dbraw/zinc/75/42/29/976754229.db2.gz QXZQFUSAXLZNKN-WTIAFYNJSA-N 2 1 414.638 3.974 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)C[C@H]1C ZINC000429497574 976754237 /nfs/dbraw/zinc/75/42/37/976754237.db2.gz QXZQFUSAXLZNKN-WTIAFYNJSA-N 2 1 414.638 3.974 20 0 HHADMP CCC[N@H+](Cc1cnnn1Cc1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000430233657 977408365 /nfs/dbraw/zinc/40/83/65/977408365.db2.gz QXIXFZXVMJASCQ-UHFFFAOYSA-N 2 1 419.577 3.614 20 0 HHADMP CCC[N@@H+](Cc1cnnn1Cc1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000430233657 977408370 /nfs/dbraw/zinc/40/83/70/977408370.db2.gz QXIXFZXVMJASCQ-UHFFFAOYSA-N 2 1 419.577 3.614 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCc1cc(Cl)cs1 ZINC000430670897 977681789 /nfs/dbraw/zinc/68/17/89/977681789.db2.gz OVYRRQUTDNOBAL-UHFFFAOYSA-N 2 1 412.043 3.989 20 0 HHADMP CS[C@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000430677044 977687961 /nfs/dbraw/zinc/68/79/61/977687961.db2.gz PTGDHNVASCNHRT-QFIPXVFZSA-N 2 1 403.636 3.745 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCCOc1ccccc1F ZINC000430679510 977689986 /nfs/dbraw/zinc/68/99/86/977689986.db2.gz MDZNZDGTJVRRLD-UHFFFAOYSA-N 2 1 419.585 3.639 20 0 HHADMP Cc1cccc(C)c1OCCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430679983 977690945 /nfs/dbraw/zinc/69/09/45/977690945.db2.gz XGLFXWAQPHQXOE-UHFFFAOYSA-N 2 1 415.622 3.727 20 0 HHADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)NC(=O)Nc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000430811643 977771981 /nfs/dbraw/zinc/77/19/81/977771981.db2.gz QXJNXIAXXZBDSF-DENIHFKCSA-N 2 1 408.546 3.710 20 0 HHADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)NC(=O)Nc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000430811643 977771985 /nfs/dbraw/zinc/77/19/85/977771985.db2.gz QXJNXIAXXZBDSF-DENIHFKCSA-N 2 1 408.546 3.710 20 0 HHADMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)NC(=O)Nc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000430811643 977771989 /nfs/dbraw/zinc/77/19/89/977771989.db2.gz QXJNXIAXXZBDSF-DENIHFKCSA-N 2 1 408.546 3.710 20 0 HHADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)NC(=O)Nc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000430811643 977771994 /nfs/dbraw/zinc/77/19/94/977771994.db2.gz QXJNXIAXXZBDSF-DENIHFKCSA-N 2 1 408.546 3.710 20 0 HHADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COCc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000430824599 977780045 /nfs/dbraw/zinc/78/00/45/977780045.db2.gz XFBDQFKSFJTGED-UEVCKROQSA-N 2 1 400.538 3.688 20 0 HHADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COCc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000430824599 977780051 /nfs/dbraw/zinc/78/00/51/977780051.db2.gz XFBDQFKSFJTGED-UEVCKROQSA-N 2 1 400.538 3.688 20 0 HHADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COCc2ccccc2F)CC[NH+]1Cc1ccccc1 ZINC000430824599 977780064 /nfs/dbraw/zinc/78/00/64/977780064.db2.gz XFBDQFKSFJTGED-UEVCKROQSA-N 2 1 400.538 3.688 20 0 HHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)COCc2ccccc2F)CC[NH+]1Cc1ccccc1 ZINC000430824599 977780073 /nfs/dbraw/zinc/78/00/73/977780073.db2.gz XFBDQFKSFJTGED-UEVCKROQSA-N 2 1 400.538 3.688 20 0 HHADMP COc1cccc(COC[C@H](O)C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000430827726 977783660 /nfs/dbraw/zinc/78/36/60/977783660.db2.gz OHTCJGDOLIMUGV-NKKJXINNSA-N 2 1 412.574 3.558 20 0 HHADMP COc1cccc(COC[C@H](O)C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000430827726 977783662 /nfs/dbraw/zinc/78/36/62/977783662.db2.gz OHTCJGDOLIMUGV-NKKJXINNSA-N 2 1 412.574 3.558 20 0 HHADMP COc1cccc(COC[C@H](O)C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000430827726 977783665 /nfs/dbraw/zinc/78/36/65/977783665.db2.gz OHTCJGDOLIMUGV-NKKJXINNSA-N 2 1 412.574 3.558 20 0 HHADMP COc1cccc(COC[C@H](O)C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000430827726 977783668 /nfs/dbraw/zinc/78/36/68/977783668.db2.gz OHTCJGDOLIMUGV-NKKJXINNSA-N 2 1 412.574 3.558 20 0 HHADMP COc1ccccc1COC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000430828636 977784046 /nfs/dbraw/zinc/78/40/46/977784046.db2.gz BXGZBILIQYUYHZ-NKKJXINNSA-N 2 1 412.574 3.558 20 0 HHADMP COc1ccccc1COC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000430828636 977784054 /nfs/dbraw/zinc/78/40/54/977784054.db2.gz BXGZBILIQYUYHZ-NKKJXINNSA-N 2 1 412.574 3.558 20 0 HHADMP COc1ccccc1COC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000430828636 977784064 /nfs/dbraw/zinc/78/40/64/977784064.db2.gz BXGZBILIQYUYHZ-NKKJXINNSA-N 2 1 412.574 3.558 20 0 HHADMP COc1ccccc1COC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000430828636 977784069 /nfs/dbraw/zinc/78/40/69/977784069.db2.gz BXGZBILIQYUYHZ-NKKJXINNSA-N 2 1 412.574 3.558 20 0 HHADMP CCc1cccc(C)c1NC(=O)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430947157 977907903 /nfs/dbraw/zinc/90/79/03/977907903.db2.gz ZMBHPUZJPLIFIY-UHFFFAOYSA-N 2 1 414.638 3.624 20 0 HHADMP C[C@@H]1CCC[C@H](CNC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@H]1C ZINC000431001123 977945851 /nfs/dbraw/zinc/94/58/51/977945851.db2.gz ICWBTVXMSNEJOV-RZUBCFFCSA-N 2 1 406.659 3.896 20 0 HHADMP CCCN(C)c1ccc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000431002640 977947583 /nfs/dbraw/zinc/94/75/83/977947583.db2.gz DLWNWQLLRMCWAB-UHFFFAOYSA-N 2 1 414.638 3.801 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000431060890 977990091 /nfs/dbraw/zinc/99/00/91/977990091.db2.gz HGJKGXUYCBHHQY-UHFFFAOYSA-N 2 1 424.536 3.948 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1ccccc1OC(F)F ZINC000431070729 978001754 /nfs/dbraw/zinc/00/17/54/978001754.db2.gz YTBLGLDCXAKQHK-UHFFFAOYSA-N 2 1 424.536 3.948 20 0 HHADMP Cc1cc(NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)n(C2CC[NH+](C)CC2)n1 ZINC000431097751 978017234 /nfs/dbraw/zinc/01/72/34/978017234.db2.gz DUGPEHFSWMOQAK-OAQYLSRUSA-N 2 1 416.614 3.624 20 0 HHADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000431120310 978030738 /nfs/dbraw/zinc/03/07/38/978030738.db2.gz BMFPZRWKOYAOLC-DEOSSOPVSA-N 2 1 406.574 3.518 20 0 HHADMP CCOc1ccc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1F ZINC000431412327 978283478 /nfs/dbraw/zinc/28/34/78/978283478.db2.gz DAQSHXVONWVGQF-UHFFFAOYSA-N 2 1 420.573 3.884 20 0 HHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000431662692 978419465 /nfs/dbraw/zinc/41/94/65/978419465.db2.gz RHMDGHUEWDUJIP-PZJWPPBQSA-N 2 1 401.599 3.559 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@@H]1CSc2ccccc21 ZINC000431662598 978419502 /nfs/dbraw/zinc/41/95/02/978419502.db2.gz DXZJYOPEBGHYER-OAQYLSRUSA-N 2 1 416.635 3.671 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000431676752 978429921 /nfs/dbraw/zinc/42/99/21/978429921.db2.gz AIMYUDKFQAZJCS-HUVFLSCGSA-N 2 1 408.590 3.512 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000431691680 978438690 /nfs/dbraw/zinc/43/86/90/978438690.db2.gz LRCVUEKGLXFFDU-KNQAVFIVSA-N 2 1 412.578 3.714 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000431699932 978444319 /nfs/dbraw/zinc/44/43/19/978444319.db2.gz SXTDTZPFAJKYJG-REWPJTCUSA-N 2 1 400.611 3.803 20 0 HHADMP CCc1ccc(CNC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000431778403 978505908 /nfs/dbraw/zinc/50/59/08/978505908.db2.gz JPOSXWWRYMBNPP-UHFFFAOYSA-N 2 1 406.640 3.648 20 0 HHADMP CSc1ccc(CNC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000431780529 978508491 /nfs/dbraw/zinc/50/84/91/978508491.db2.gz FWEFJBZKMGXSOG-UHFFFAOYSA-N 2 1 418.651 3.746 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCCc1ccccc1Cl ZINC000431799225 978522577 /nfs/dbraw/zinc/52/25/77/978522577.db2.gz KKTKCAXDQLFLIZ-UHFFFAOYSA-N 2 1 421.029 3.720 20 0 HHADMP C[C@H](CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)[N@H+]1CCCC[C@H]1C ZINC000431808930 978529207 /nfs/dbraw/zinc/52/92/07/978529207.db2.gz LISXFNKGBKAMRT-FGZHOGPDSA-N 2 1 412.622 3.947 20 0 HHADMP CCc1cc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc(-c2ccncc2)n1 ZINC000431832709 978543789 /nfs/dbraw/zinc/54/37/89/978543789.db2.gz HIBFVTPFHNNKGV-UHFFFAOYSA-N 2 1 422.621 3.734 20 0 HHADMP Cc1nc(-c2ccncc2)nc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000431840072 978546963 /nfs/dbraw/zinc/54/69/63/978546963.db2.gz JTQPKWRFJDHSSV-UHFFFAOYSA-N 2 1 422.621 3.788 20 0 HHADMP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000432251562 978729749 /nfs/dbraw/zinc/72/97/49/978729749.db2.gz BJUPVJLDKDZBLW-KRWDZBQOSA-N 2 1 412.336 3.511 20 0 HHADMP COc1ccccc1C[C@@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000432836230 978987928 /nfs/dbraw/zinc/98/79/28/978987928.db2.gz SVGWZANJNQXWJS-OAQYLSRUSA-N 2 1 423.601 3.647 20 0 HHADMP COc1cc(C[NH+](C)[C@@H](C)c2cnn(C)c2)cc(C[N@@H+](C)[C@@H](C)c2cnn(C)c2)c1 ZINC000432855814 978993317 /nfs/dbraw/zinc/99/33/17/978993317.db2.gz TVIFSMSULSFFOY-ROUUACIJSA-N 2 1 410.566 3.548 20 0 HHADMP COc1ccc(C[C@H](C)C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1F ZINC000432882641 979000191 /nfs/dbraw/zinc/00/01/91/979000191.db2.gz BPSABKPWQUKFDF-SIKLNZKXSA-N 2 1 400.538 3.894 20 0 HHADMP COc1ccc(C[C@H](C)C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1F ZINC000432882641 979000196 /nfs/dbraw/zinc/00/01/96/979000196.db2.gz BPSABKPWQUKFDF-SIKLNZKXSA-N 2 1 400.538 3.894 20 0 HHADMP COc1ccc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1OC ZINC000433212196 979145552 /nfs/dbraw/zinc/14/55/52/979145552.db2.gz GGWFSXVNQFZHNW-UHFFFAOYSA-N 2 1 423.557 3.630 20 0 HHADMP COc1ccc(NC(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1OC ZINC000433212196 979145562 /nfs/dbraw/zinc/14/55/62/979145562.db2.gz GGWFSXVNQFZHNW-UHFFFAOYSA-N 2 1 423.557 3.630 20 0 HHADMP CC(C)[NH+]1CCC(N2CCN(c3cc[nH+]c4cc(Br)ccc43)CC2)CC1 ZINC000433532084 979362855 /nfs/dbraw/zinc/36/28/55/979362855.db2.gz CVASCRIJNAHAHX-UHFFFAOYSA-N 2 1 417.395 3.992 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000433899792 979660974 /nfs/dbraw/zinc/66/09/74/979660974.db2.gz BDUPCUORVQQMCV-QFIPXVFZSA-N 2 1 410.562 3.728 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000433899792 979660978 /nfs/dbraw/zinc/66/09/78/979660978.db2.gz BDUPCUORVQQMCV-QFIPXVFZSA-N 2 1 410.562 3.728 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433899792 979660986 /nfs/dbraw/zinc/66/09/86/979660986.db2.gz BDUPCUORVQQMCV-QFIPXVFZSA-N 2 1 410.562 3.728 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433899792 979660991 /nfs/dbraw/zinc/66/09/91/979660991.db2.gz BDUPCUORVQQMCV-QFIPXVFZSA-N 2 1 410.562 3.728 20 0 HHADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000433959011 979716091 /nfs/dbraw/zinc/71/60/91/979716091.db2.gz RQLCQPKPVMVVDW-NRFANRHFSA-N 2 1 404.986 3.621 20 0 HHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000434372170 980120004 /nfs/dbraw/zinc/12/00/04/980120004.db2.gz HEBFYNYUUCPZQN-LJQANCHMSA-N 2 1 409.578 3.629 20 0 HHADMP COC(=O)c1ccc(OCC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(Cl)c1 ZINC000434686644 980339820 /nfs/dbraw/zinc/33/98/20/980339820.db2.gz WSMICZXJXGRWEG-UHFFFAOYSA-N 2 1 417.937 3.918 20 0 HHADMP O=C(COc1ccccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)N1CCCC1 ZINC000435062245 980606952 /nfs/dbraw/zinc/60/69/52/980606952.db2.gz YJGGUUAHEYGZSF-UHFFFAOYSA-N 2 1 422.573 3.600 20 0 HHADMP Cc1cc(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)n([C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000435092858 980633219 /nfs/dbraw/zinc/63/32/19/980633219.db2.gz ASYVPUXHCYVGED-IRLDBZIGSA-N 2 1 424.593 3.634 20 0 HHADMP Cc1cc(NC(=O)NCC[NH+]2CCCC[C@H]2C)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435092858 980633222 /nfs/dbraw/zinc/63/32/22/980633222.db2.gz ASYVPUXHCYVGED-IRLDBZIGSA-N 2 1 424.593 3.634 20 0 HHADMP Cc1cc(NC(=O)NCC[NH+]2CCCC[C@H]2C)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435092858 980633225 /nfs/dbraw/zinc/63/32/25/980633225.db2.gz ASYVPUXHCYVGED-IRLDBZIGSA-N 2 1 424.593 3.634 20 0 HHADMP CN(c1ccccc1)c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cn1 ZINC000435782203 981029197 /nfs/dbraw/zinc/02/91/97/981029197.db2.gz NKXHUGKFZHKIBX-XMMPIXPASA-N 2 1 402.542 3.706 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)c1 ZINC000436283188 981282980 /nfs/dbraw/zinc/28/29/80/981282980.db2.gz VOSSXSBBQLTSTC-DHIUTWEWSA-N 2 1 407.558 3.773 20 0 HHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000448212838 981626867 /nfs/dbraw/zinc/62/68/67/981626867.db2.gz MEQYXFXDBNBHBM-JQVVWYNYSA-N 2 1 416.635 3.618 20 0 HHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448212838 981626871 /nfs/dbraw/zinc/62/68/71/981626871.db2.gz MEQYXFXDBNBHBM-JQVVWYNYSA-N 2 1 416.635 3.618 20 0 HHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448212838 981626876 /nfs/dbraw/zinc/62/68/76/981626876.db2.gz MEQYXFXDBNBHBM-JQVVWYNYSA-N 2 1 416.635 3.618 20 0 HHADMP CC1CC[NH+]([C@H](CNC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c2ccccc2)CC1 ZINC000448213441 981627918 /nfs/dbraw/zinc/62/79/18/981627918.db2.gz PEMHLXWCNXDLCG-HSZRJFAPSA-N 2 1 423.605 3.857 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@H]3CCC[N@@H+](CC(C)C)C3)c(C)c2)CC1 ZINC000448222945 981637514 /nfs/dbraw/zinc/63/75/14/981637514.db2.gz AUVBMMRQHOIHNX-OAQYLSRUSA-N 2 1 415.626 3.626 20 0 HHADMP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000437056588 981727905 /nfs/dbraw/zinc/72/79/05/981727905.db2.gz LERMJWSJGMNUHS-VWNXMTODSA-N 2 1 423.626 3.757 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000437056588 981727907 /nfs/dbraw/zinc/72/79/07/981727907.db2.gz LERMJWSJGMNUHS-VWNXMTODSA-N 2 1 423.626 3.757 20 0 HHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448372771 981731565 /nfs/dbraw/zinc/73/15/65/981731565.db2.gz HJKLAKOZFNWZGG-DENIHFKCSA-N 2 1 414.594 3.888 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)[C@H](C)C1 ZINC000448461670 981795705 /nfs/dbraw/zinc/79/57/05/981795705.db2.gz NCHDRFHOITUJEY-OIBXWCBGSA-N 2 1 416.610 3.594 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000448468205 981805147 /nfs/dbraw/zinc/80/51/47/981805147.db2.gz UQFIZKOPMBOCRY-DYXWJJEUSA-N 2 1 406.640 3.798 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000448468205 981805165 /nfs/dbraw/zinc/80/51/65/981805165.db2.gz UQFIZKOPMBOCRY-DYXWJJEUSA-N 2 1 406.640 3.798 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000448468205 981805180 /nfs/dbraw/zinc/80/51/80/981805180.db2.gz UQFIZKOPMBOCRY-DYXWJJEUSA-N 2 1 406.640 3.798 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1Cl ZINC000448468346 981805793 /nfs/dbraw/zinc/80/57/93/981805793.db2.gz UIAJPTZUTBSHCV-MAODMQOUSA-N 2 1 404.986 3.601 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1Cl ZINC000448468346 981805800 /nfs/dbraw/zinc/80/58/00/981805800.db2.gz UIAJPTZUTBSHCV-MAODMQOUSA-N 2 1 404.986 3.601 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000448473813 981815525 /nfs/dbraw/zinc/81/55/25/981815525.db2.gz UHTIRLUXANJSRS-JSRBNTPPSA-N 2 1 414.638 3.810 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000448473813 981815531 /nfs/dbraw/zinc/81/55/31/981815531.db2.gz UHTIRLUXANJSRS-JSRBNTPPSA-N 2 1 414.638 3.810 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000448473813 981815540 /nfs/dbraw/zinc/81/55/40/981815540.db2.gz UHTIRLUXANJSRS-JSRBNTPPSA-N 2 1 414.638 3.810 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)[C@H](C)C1 ZINC000448525333 981853503 /nfs/dbraw/zinc/85/35/03/981853503.db2.gz PZWWEFAUSYSLGH-OIBXWCBGSA-N 2 1 414.638 3.831 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)[C@H](C)C1 ZINC000448525333 981853511 /nfs/dbraw/zinc/85/35/11/981853511.db2.gz PZWWEFAUSYSLGH-OIBXWCBGSA-N 2 1 414.638 3.831 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)[C@H](C)C1 ZINC000448525333 981853519 /nfs/dbraw/zinc/85/35/19/981853519.db2.gz PZWWEFAUSYSLGH-OIBXWCBGSA-N 2 1 414.638 3.831 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)c1ccco1 ZINC000460143489 981915562 /nfs/dbraw/zinc/91/55/62/981915562.db2.gz OUFAOHZLEGOQGG-RJGXRXQPSA-N 2 1 424.589 3.826 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000460164586 981936974 /nfs/dbraw/zinc/93/69/74/981936974.db2.gz DFVVDWPBRIZZFH-DNQXCXABSA-N 2 1 412.622 3.662 20 0 HHADMP COC1CC[NH+](C2(CNC(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)CCCC2)CC1 ZINC000437700049 982304740 /nfs/dbraw/zinc/30/47/40/982304740.db2.gz MJOYWKMLCUWYBO-NRFANRHFSA-N 2 1 420.642 3.506 20 0 HHADMP C[C@@H]([NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000437787960 982357466 /nfs/dbraw/zinc/35/74/66/982357466.db2.gz SHPZVOPZHAKUCY-NQAMIAIDSA-N 2 1 409.574 3.836 20 0 HHADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Nc1ccccc1OCCc1ccccc1 ZINC000437940166 982474225 /nfs/dbraw/zinc/47/42/25/982474225.db2.gz FFAJBWQKOQIJOT-UHFFFAOYSA-N 2 1 424.589 3.798 20 0 HHADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000437995064 982512004 /nfs/dbraw/zinc/51/20/04/982512004.db2.gz QTBXESNNOKHYTO-IBGZPJMESA-N 2 1 423.483 3.516 20 0 HHADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000437995064 982512012 /nfs/dbraw/zinc/51/20/12/982512012.db2.gz QTBXESNNOKHYTO-IBGZPJMESA-N 2 1 423.483 3.516 20 0 HHADMP CCOC(=O)Cn1nc(C)c(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1C ZINC000438089554 982582216 /nfs/dbraw/zinc/58/22/16/982582216.db2.gz WAYHQIZSURSUOZ-GOSISDBHSA-N 2 1 412.578 3.585 20 0 HHADMP CCOC(=O)Cn1nc(C)c(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1C ZINC000438117393 982596449 /nfs/dbraw/zinc/59/64/49/982596449.db2.gz LQCAJOSNBHHSOS-UHFFFAOYSA-N 2 1 424.589 3.551 20 0 HHADMP CCCC(=O)Nc1cccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)c1C ZINC000438224861 982662502 /nfs/dbraw/zinc/66/25/02/982662502.db2.gz QSSMEJMOZPSAFQ-IBGZPJMESA-N 2 1 417.598 3.613 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000438482352 982829225 /nfs/dbraw/zinc/82/92/25/982829225.db2.gz YBCVXSSISGOXMZ-HFZDXXHNSA-N 2 1 405.586 3.819 20 0 HHADMP C[C@H](NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000461209932 982923403 /nfs/dbraw/zinc/92/34/03/982923403.db2.gz CKFKKXNVYFYDHO-MNPDLOSFSA-N 2 1 420.601 3.841 20 0 HHADMP c1c2c(sc1-c1nnc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)o1)CCCC2 ZINC000461384298 983057664 /nfs/dbraw/zinc/05/76/64/983057664.db2.gz GTRLXSZURVQHBM-UHFFFAOYSA-N 2 1 416.591 3.754 20 0 HHADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461443378 983107908 /nfs/dbraw/zinc/10/79/08/983107908.db2.gz ARPUYQCAOHWZDA-CYXNTTPDSA-N 2 1 417.597 3.879 20 0 HHADMP O=C([C@@H]1CCC[NH+](Cc2ccccc2)C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461443378 983107913 /nfs/dbraw/zinc/10/79/13/983107913.db2.gz ARPUYQCAOHWZDA-CYXNTTPDSA-N 2 1 417.597 3.879 20 0 HHADMP O=C([C@@H]1CCC[NH+](Cc2ccccc2)C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461443378 983107919 /nfs/dbraw/zinc/10/79/19/983107919.db2.gz ARPUYQCAOHWZDA-CYXNTTPDSA-N 2 1 417.597 3.879 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000438842792 983110573 /nfs/dbraw/zinc/11/05/73/983110573.db2.gz SVJDIPHVPHNQKO-YKSBVNFPSA-N 2 1 421.589 3.571 20 0 HHADMP CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N1C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C1)C2 ZINC000461453996 983119830 /nfs/dbraw/zinc/11/98/30/983119830.db2.gz HDEYQIOMOIWOKR-HKBOAZHASA-N 2 1 406.574 3.619 20 0 HHADMP CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N1C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C1)C2 ZINC000461453996 983119836 /nfs/dbraw/zinc/11/98/36/983119836.db2.gz HDEYQIOMOIWOKR-HKBOAZHASA-N 2 1 406.574 3.619 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000461454173 983120395 /nfs/dbraw/zinc/12/03/95/983120395.db2.gz GMTWVMDEMMYLDM-CBRSEMLDSA-N 2 1 417.597 3.735 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461454173 983120400 /nfs/dbraw/zinc/12/04/00/983120400.db2.gz GMTWVMDEMMYLDM-CBRSEMLDSA-N 2 1 417.597 3.735 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461454173 983120403 /nfs/dbraw/zinc/12/04/03/983120403.db2.gz GMTWVMDEMMYLDM-CBRSEMLDSA-N 2 1 417.597 3.735 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000438962115 983180238 /nfs/dbraw/zinc/18/02/38/983180238.db2.gz BVWUBMUCGGNZOH-IBGZPJMESA-N 2 1 401.599 3.561 20 0 HHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000439132643 983266399 /nfs/dbraw/zinc/26/63/99/983266399.db2.gz HOQGLOLEKHFJIF-SFHVURJKSA-N 2 1 400.430 3.969 20 0 HHADMP CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000439609209 983469886 /nfs/dbraw/zinc/46/98/86/983469886.db2.gz FTILNYHGALIRQP-GOSISDBHSA-N 2 1 409.534 3.806 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]1CCCC[NH+]1CC(C)C ZINC000440179513 983671480 /nfs/dbraw/zinc/67/14/80/983671480.db2.gz PCOJWPMVMYZISV-GOTSBHOMSA-N 2 1 415.626 3.588 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000440179513 983671482 /nfs/dbraw/zinc/67/14/82/983671482.db2.gz PCOJWPMVMYZISV-GOTSBHOMSA-N 2 1 415.626 3.588 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000440179513 983671486 /nfs/dbraw/zinc/67/14/86/983671486.db2.gz PCOJWPMVMYZISV-GOTSBHOMSA-N 2 1 415.626 3.588 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1CCCC[NH+]1CC(C)C ZINC000440179512 983671590 /nfs/dbraw/zinc/67/15/90/983671590.db2.gz PCOJWPMVMYZISV-DHIUTWEWSA-N 2 1 415.626 3.588 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000440179512 983671594 /nfs/dbraw/zinc/67/15/94/983671594.db2.gz PCOJWPMVMYZISV-DHIUTWEWSA-N 2 1 415.626 3.588 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000440179512 983671597 /nfs/dbraw/zinc/67/15/97/983671597.db2.gz PCOJWPMVMYZISV-DHIUTWEWSA-N 2 1 415.626 3.588 20 0 HHADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000440194754 983678313 /nfs/dbraw/zinc/67/83/13/983678313.db2.gz ZYFDRENPJFOWMU-HSZRJFAPSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC3CCC(C[NH+](C)C)CC3)cc2)C1 ZINC000440827774 983925783 /nfs/dbraw/zinc/92/57/83/983925783.db2.gz AHFZQMAPNZSPQP-YGWXTMFKSA-N 2 1 400.611 3.838 20 0 HHADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000441104415 984069735 /nfs/dbraw/zinc/06/97/35/984069735.db2.gz MMJNNEODGQLPGX-UHFFFAOYSA-N 2 1 400.489 3.671 20 0 HHADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000441104415 984069739 /nfs/dbraw/zinc/06/97/39/984069739.db2.gz MMJNNEODGQLPGX-UHFFFAOYSA-N 2 1 400.489 3.671 20 0 HHADMP C[N@H+]1CCN(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1(C)C ZINC000441335767 984192010 /nfs/dbraw/zinc/19/20/10/984192010.db2.gz QZCMEOYLVJBAND-UHFFFAOYSA-N 2 1 403.574 3.655 20 0 HHADMP C[N@H+]1CCN(CC[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1(C)C ZINC000441345898 984198860 /nfs/dbraw/zinc/19/88/60/984198860.db2.gz LXEKSISYXJCTKS-UHFFFAOYSA-N 2 1 414.981 3.708 20 0 HHADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CC1(C)C ZINC000441382207 984221215 /nfs/dbraw/zinc/22/12/15/984221215.db2.gz KFCLALXLVUIPLK-UHFFFAOYSA-N 2 1 406.368 3.825 20 0 HHADMP O=C(CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Br)cc1 ZINC000441400505 984232201 /nfs/dbraw/zinc/23/22/01/984232201.db2.gz GOOYCPBNMYLUOZ-BEFAXECRSA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Br)cc1 ZINC000441400505 984232204 /nfs/dbraw/zinc/23/22/04/984232204.db2.gz GOOYCPBNMYLUOZ-BEFAXECRSA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(Br)cc1 ZINC000441400505 984232209 /nfs/dbraw/zinc/23/22/09/984232209.db2.gz GOOYCPBNMYLUOZ-BEFAXECRSA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(Br)cc1 ZINC000441400505 984232211 /nfs/dbraw/zinc/23/22/11/984232211.db2.gz GOOYCPBNMYLUOZ-BEFAXECRSA-N 2 1 406.368 3.726 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441408483 984236753 /nfs/dbraw/zinc/23/67/53/984236753.db2.gz IWYCVPMXGJQHTB-REWPJTCUSA-N 2 1 421.589 3.766 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441408483 984236757 /nfs/dbraw/zinc/23/67/57/984236757.db2.gz IWYCVPMXGJQHTB-REWPJTCUSA-N 2 1 421.589 3.766 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441408483 984236762 /nfs/dbraw/zinc/23/67/62/984236762.db2.gz IWYCVPMXGJQHTB-REWPJTCUSA-N 2 1 421.589 3.766 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441408483 984236769 /nfs/dbraw/zinc/23/67/69/984236769.db2.gz IWYCVPMXGJQHTB-REWPJTCUSA-N 2 1 421.589 3.766 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000441528795 984305556 /nfs/dbraw/zinc/30/55/56/984305556.db2.gz ZFKMEIIOZRDNCW-KOENEWCDSA-N 2 1 400.611 3.660 20 0 HHADMP CC1CC[NH+]([C@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)c2cccs2)CC1 ZINC000461736050 984749651 /nfs/dbraw/zinc/74/96/51/984749651.db2.gz KDDBROYJZVWMHE-LJQANCHMSA-N 2 1 402.564 3.535 20 0 HHADMP C[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000462126108 985096236 /nfs/dbraw/zinc/09/62/36/985096236.db2.gz MTTIHNXRYHMDSI-TZIWHRDSSA-N 2 1 400.592 3.692 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000462251392 985235081 /nfs/dbraw/zinc/23/50/81/985235081.db2.gz AZXIXMJHMMWGLP-AUSIDOKSSA-N 2 1 424.614 3.877 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000462251392 985235088 /nfs/dbraw/zinc/23/50/88/985235088.db2.gz AZXIXMJHMMWGLP-AUSIDOKSSA-N 2 1 424.614 3.877 20 0 HHADMP C[C@@H](c1ccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1)[NH+]1CCOCC1 ZINC000462253906 985237960 /nfs/dbraw/zinc/23/79/60/985237960.db2.gz IRQCSLTULGFJNQ-JXALWOEJSA-N 2 1 422.573 3.722 20 0 HHADMP C[C@@H](c1ccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1)[NH+]1CCOCC1 ZINC000462253906 985237964 /nfs/dbraw/zinc/23/79/64/985237964.db2.gz IRQCSLTULGFJNQ-JXALWOEJSA-N 2 1 422.573 3.722 20 0 HHADMP Cc1cc(CNC(=O)N(CCCc2ccccc2)CC[NH+](C)C)cc(N2CCCC2)[nH+]1 ZINC000462264874 985254470 /nfs/dbraw/zinc/25/44/70/985254470.db2.gz CWWINTVAVMSWIA-UHFFFAOYSA-N 2 1 423.605 3.696 20 0 HHADMP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000462540824 985488443 /nfs/dbraw/zinc/48/84/43/985488443.db2.gz ZCPCFYSQRPMXKV-ZEQKJWHPSA-N 2 1 418.585 3.717 20 0 HHADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000467971335 985613813 /nfs/dbraw/zinc/61/38/13/985613813.db2.gz VQUMHZDXHFSWSZ-VWLOTQADSA-N 2 1 421.585 3.945 20 0 HHADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000467971335 985613819 /nfs/dbraw/zinc/61/38/19/985613819.db2.gz VQUMHZDXHFSWSZ-VWLOTQADSA-N 2 1 421.585 3.945 20 0 HHADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000462748612 985689995 /nfs/dbraw/zinc/68/99/95/985689995.db2.gz DQHHADQFIUWBCA-ZEQRLZLVSA-N 2 1 412.622 3.949 20 0 HHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(Br)cc3c2OCC3)CC1 ZINC000462796019 985728857 /nfs/dbraw/zinc/72/88/57/985728857.db2.gz IKYVWBPHWVEFAF-UHFFFAOYSA-N 2 1 411.384 3.707 20 0 HHADMP C[C@@H](CN1CCN(C)CC1)[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000462803058 985735011 /nfs/dbraw/zinc/73/50/11/985735011.db2.gz PRRDGGWWWISUIZ-XUZZJYLKSA-N 2 1 404.618 3.604 20 0 HHADMP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)nc(-c2ccc(Cl)cc2)n1 ZINC000443577113 985752926 /nfs/dbraw/zinc/75/29/26/985752926.db2.gz CKMSOTPFLWXHDK-PWRODBHTSA-N 2 1 400.954 3.789 20 0 HHADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)nc(-c2ccc(Cl)cc2)n1 ZINC000443577113 985752934 /nfs/dbraw/zinc/75/29/34/985752934.db2.gz CKMSOTPFLWXHDK-PWRODBHTSA-N 2 1 400.954 3.789 20 0 HHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3coc(-c4c(F)cccc4F)n3)CC2)C[C@H](C)O1 ZINC000443624568 985802686 /nfs/dbraw/zinc/80/26/86/985802686.db2.gz NKZQLGPAJZMLED-IYBDPMFKSA-N 2 1 405.489 3.941 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3coc(-c4c(F)cccc4F)n3)CC2)C[C@H](C)O1 ZINC000443624568 985802695 /nfs/dbraw/zinc/80/26/95/985802695.db2.gz NKZQLGPAJZMLED-IYBDPMFKSA-N 2 1 405.489 3.941 20 0 HHADMP O=C(Nc1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1)[C@H]1CCCO1 ZINC000463080063 986038130 /nfs/dbraw/zinc/03/81/30/986038130.db2.gz QJDRNYAZKZNIIC-XMMPIXPASA-N 2 1 407.558 3.601 20 0 HHADMP COc1cc2c(cc1OC)CN(CC[NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC000463115171 986078284 /nfs/dbraw/zinc/07/82/84/986078284.db2.gz KKKCSNDYGXHOKD-YKSBVNFPSA-N 2 1 423.601 3.705 20 0 HHADMP COc1cc2c(cc1OC)CN(CC[NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC000463115171 986078300 /nfs/dbraw/zinc/07/83/00/986078300.db2.gz KKKCSNDYGXHOKD-YKSBVNFPSA-N 2 1 423.601 3.705 20 0 HHADMP FC(F)(F)c1ccnc(NCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000463236483 986204557 /nfs/dbraw/zinc/20/45/57/986204557.db2.gz RJJACMOFPVDMHU-AYHJJNSGSA-N 2 1 405.468 3.693 20 0 HHADMP C[C@H]1C[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)C[N@@H+](Cc2ccccc2)C1 ZINC000468509832 986210688 /nfs/dbraw/zinc/21/06/88/986210688.db2.gz IIVXHBQNCGPFQK-UNMCSNQZSA-N 2 1 407.606 3.935 20 0 HHADMP C[C@@H]1C[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)C[N@@H+](Cc2ccccc2)C1 ZINC000468509828 986210823 /nfs/dbraw/zinc/21/08/23/986210823.db2.gz IIVXHBQNCGPFQK-IRLDBZIGSA-N 2 1 407.606 3.935 20 0 HHADMP COCCn1c(C)cc(C(=O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1C ZINC000444246081 986438940 /nfs/dbraw/zinc/43/89/40/986438940.db2.gz LROPGORCFMBFRE-UHFFFAOYSA-N 2 1 411.590 3.778 20 0 HHADMP COCCn1c(C)cc(C(=O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1C ZINC000444246081 986438946 /nfs/dbraw/zinc/43/89/46/986438946.db2.gz LROPGORCFMBFRE-UHFFFAOYSA-N 2 1 411.590 3.778 20 0 HHADMP COc1cccc([C@H](CNC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[NH+](C)C)c1 ZINC000444340852 986519787 /nfs/dbraw/zinc/51/97/87/986519787.db2.gz RKCFRBDBMQKOPT-SBUREZEXSA-N 2 1 421.545 3.852 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccnc(Cc2ccccc2)n1 ZINC000463650670 986628770 /nfs/dbraw/zinc/62/87/70/986628770.db2.gz BKDAOKJCFLHJOE-UHFFFAOYSA-N 2 1 407.606 3.700 20 0 HHADMP CC[NH+]1CCN(c2ccc(C(=O)NCc3cccc(C[N@@H+](C)C(C)C)c3)cc2)CC1 ZINC000468941808 986646233 /nfs/dbraw/zinc/64/62/33/986646233.db2.gz KZDSEPKNRMCUSA-UHFFFAOYSA-N 2 1 408.590 3.599 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000444591276 986777385 /nfs/dbraw/zinc/77/73/85/986777385.db2.gz NCOXGIATOQHDQQ-ZHRRBRCNSA-N 2 1 409.509 3.983 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cc1 ZINC000444599647 986786709 /nfs/dbraw/zinc/78/67/09/986786709.db2.gz XCUXMGMUVYRACY-GCJKJVERSA-N 2 1 405.546 3.714 20 0 HHADMP C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1nc2ccccc2n1C(F)F ZINC000444665324 986849595 /nfs/dbraw/zinc/84/95/95/986849595.db2.gz OPKIFYRILFHNED-BEFAXECRSA-N 2 1 415.488 3.501 20 0 HHADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444696019 986870918 /nfs/dbraw/zinc/87/09/18/986870918.db2.gz NMQHMCWSFBRUET-JOCHJYFZSA-N 2 1 410.606 3.701 20 0 HHADMP O=C(NC[C@H]1CC[NH+](C2CC2)C1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444696019 986870930 /nfs/dbraw/zinc/87/09/30/986870930.db2.gz NMQHMCWSFBRUET-JOCHJYFZSA-N 2 1 410.606 3.701 20 0 HHADMP O=C(NC[C@H]1CC[NH+](C2CC2)C1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444696019 986870939 /nfs/dbraw/zinc/87/09/39/986870939.db2.gz NMQHMCWSFBRUET-JOCHJYFZSA-N 2 1 410.606 3.701 20 0 HHADMP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000444782864 986939029 /nfs/dbraw/zinc/93/90/29/986939029.db2.gz RMPNSPLANKWELR-WOJBJXKFSA-N 2 1 407.480 3.997 20 0 HHADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC000444797136 986952504 /nfs/dbraw/zinc/95/25/04/986952504.db2.gz CJYGGVUJZRWBMW-IBGZPJMESA-N 2 1 416.610 3.760 20 0 HHADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000444797136 986952513 /nfs/dbraw/zinc/95/25/13/986952513.db2.gz CJYGGVUJZRWBMW-IBGZPJMESA-N 2 1 416.610 3.760 20 0 HHADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000444797136 986952520 /nfs/dbraw/zinc/95/25/20/986952520.db2.gz CJYGGVUJZRWBMW-IBGZPJMESA-N 2 1 416.610 3.760 20 0 HHADMP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000469278886 986998044 /nfs/dbraw/zinc/99/80/44/986998044.db2.gz VFQYJCPTJAIKLD-LJQANCHMSA-N 2 1 414.516 3.653 20 0 HHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000469425934 987114259 /nfs/dbraw/zinc/11/42/59/987114259.db2.gz IBWVYYQFANHGRT-DHIUTWEWSA-N 2 1 400.611 3.516 20 0 HHADMP C[NH+](C)CCc1ccc(CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cc1 ZINC000469486084 987167108 /nfs/dbraw/zinc/16/71/08/987167108.db2.gz OVQBWYWPRFFFLS-JOCHJYFZSA-N 2 1 408.590 3.914 20 0 HHADMP C[C@H](CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)[N@H+](C)Cc1ccccc1 ZINC000469554267 987225480 /nfs/dbraw/zinc/22/54/80/987225480.db2.gz MXUFKXVWDFPKMH-MRXNPFEDSA-N 2 1 413.472 3.845 20 0 HHADMP C[C@H](CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)[N@@H+](C)Cc1ccccc1 ZINC000469554267 987225487 /nfs/dbraw/zinc/22/54/87/987225487.db2.gz MXUFKXVWDFPKMH-MRXNPFEDSA-N 2 1 413.472 3.845 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000469756818 987409656 /nfs/dbraw/zinc/40/96/56/987409656.db2.gz IJYMTCSUVGDFMC-KSPVPNAGSA-N 2 1 402.966 3.826 20 0 HHADMP CCOCc1ccc(CNC(=O)C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000469761141 987414232 /nfs/dbraw/zinc/41/42/32/987414232.db2.gz RBOVQGBYVYLCSK-NHCUHLMSSA-N 2 1 423.601 3.586 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000469768136 987420877 /nfs/dbraw/zinc/42/08/77/987420877.db2.gz JMBFTBWQIJHJKU-YBUKQDLZSA-N 2 1 409.618 3.818 20 0 HHADMP CCN(Cc1cccc(F)c1)C(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000469770174 987422044 /nfs/dbraw/zinc/42/20/44/987422044.db2.gz TTWGMGIJKNYZEA-WOJBJXKFSA-N 2 1 411.565 3.920 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N2CCC[C@H]2c2cccs2)[C@@H](C)C1 ZINC000469784926 987430862 /nfs/dbraw/zinc/43/08/62/987430862.db2.gz DNHNWZJIJYOGLL-YRPNKDGESA-N 2 1 407.624 3.527 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N2CCC[C@H]2c2cccs2)[C@@H](C)C1 ZINC000469784926 987430863 /nfs/dbraw/zinc/43/08/63/987430863.db2.gz DNHNWZJIJYOGLL-YRPNKDGESA-N 2 1 407.624 3.527 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)[C@H](C)C1 ZINC000469790662 987435385 /nfs/dbraw/zinc/43/53/85/987435385.db2.gz MKNOEWVVPDQTHP-DYXWJJEUSA-N 2 1 415.578 3.679 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)[C@H](C)C1 ZINC000469790662 987435388 /nfs/dbraw/zinc/43/53/88/987435388.db2.gz MKNOEWVVPDQTHP-DYXWJJEUSA-N 2 1 415.578 3.679 20 0 HHADMP Nc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000470096014 987996762 /nfs/dbraw/zinc/99/67/62/987996762.db2.gz GGKQZSXTHPNOJW-OLZOCXBDSA-N 2 1 403.162 3.510 20 0 HHADMP Nc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000470096014 987996769 /nfs/dbraw/zinc/99/67/69/987996769.db2.gz GGKQZSXTHPNOJW-OLZOCXBDSA-N 2 1 403.162 3.510 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000463964082 988077026 /nfs/dbraw/zinc/07/70/26/988077026.db2.gz LIGDJGSKVGUUJB-FGZHOGPDSA-N 2 1 410.562 3.580 20 0 HHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000470229109 988162397 /nfs/dbraw/zinc/16/23/97/988162397.db2.gz AHXCEHLUKZDXFH-IRLDBZIGSA-N 2 1 423.523 3.631 20 0 HHADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000470229109 988162400 /nfs/dbraw/zinc/16/24/00/988162400.db2.gz AHXCEHLUKZDXFH-IRLDBZIGSA-N 2 1 423.523 3.631 20 0 HHADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000470229109 988162405 /nfs/dbraw/zinc/16/24/05/988162405.db2.gz AHXCEHLUKZDXFH-IRLDBZIGSA-N 2 1 423.523 3.631 20 0 HHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000470288078 988245853 /nfs/dbraw/zinc/24/58/53/988245853.db2.gz RSUOWORFSLYXLP-GOTSBHOMSA-N 2 1 400.611 3.803 20 0 HHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000470289027 988246551 /nfs/dbraw/zinc/24/65/51/988246551.db2.gz LBSHOIYINTVWQW-VJBWXMMDSA-N 2 1 400.611 3.800 20 0 HHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000470289027 988246564 /nfs/dbraw/zinc/24/65/64/988246564.db2.gz LBSHOIYINTVWQW-VJBWXMMDSA-N 2 1 400.611 3.800 20 0 HHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000470289027 988246576 /nfs/dbraw/zinc/24/65/76/988246576.db2.gz LBSHOIYINTVWQW-VJBWXMMDSA-N 2 1 400.611 3.800 20 0 HHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470291790 988250972 /nfs/dbraw/zinc/25/09/72/988250972.db2.gz UYMJODGBQHXXTN-GOSISDBHSA-N 2 1 411.472 3.545 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000470721049 988746567 /nfs/dbraw/zinc/74/65/67/988746567.db2.gz BDWZCJWPTSWYRZ-FCHUYYIVSA-N 2 1 412.578 3.969 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000470721910 988747967 /nfs/dbraw/zinc/74/79/67/988747967.db2.gz DKPGWNBOOJNERT-BJKOFHAPSA-N 2 1 408.590 3.904 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)C1 ZINC000470735566 988769965 /nfs/dbraw/zinc/76/99/65/988769965.db2.gz CEDQSJRHVMYMDN-IRLDBZIGSA-N 2 1 412.622 3.792 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000470735566 988769969 /nfs/dbraw/zinc/76/99/69/988769969.db2.gz CEDQSJRHVMYMDN-IRLDBZIGSA-N 2 1 412.622 3.792 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000470735566 988769975 /nfs/dbraw/zinc/76/99/75/988769975.db2.gz CEDQSJRHVMYMDN-IRLDBZIGSA-N 2 1 412.622 3.792 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N(C)[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)[nH+]1 ZINC000470882246 988953372 /nfs/dbraw/zinc/95/33/72/988953372.db2.gz DBYBMXMUJGLEBS-QHCPKHFHSA-N 2 1 421.589 3.665 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N(C)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)[nH+]1 ZINC000470882246 988953382 /nfs/dbraw/zinc/95/33/82/988953382.db2.gz DBYBMXMUJGLEBS-QHCPKHFHSA-N 2 1 421.589 3.665 20 0 HHADMP CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000464770201 988993665 /nfs/dbraw/zinc/99/36/65/988993665.db2.gz FQXIFGZWVGPEQK-FCHUYYIVSA-N 2 1 403.636 3.682 20 0 HHADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000464770202 988993903 /nfs/dbraw/zinc/99/39/03/988993903.db2.gz FQXIFGZWVGPEQK-FGZHOGPDSA-N 2 1 403.636 3.682 20 0 HHADMP CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000464772581 988996981 /nfs/dbraw/zinc/99/69/81/988996981.db2.gz HUGTZBWGKGENMU-VQTJNVASSA-N 2 1 407.649 3.780 20 0 HHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000464781620 989008517 /nfs/dbraw/zinc/00/85/17/989008517.db2.gz TZRHTPKXKAGFNB-HOCLYGCPSA-N 2 1 419.791 3.506 20 0 HHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000464781620 989008533 /nfs/dbraw/zinc/00/85/33/989008533.db2.gz TZRHTPKXKAGFNB-HOCLYGCPSA-N 2 1 419.791 3.506 20 0 HHADMP O[C@H](CO[C@@H]1CCCc2ccccc21)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471007017 989074934 /nfs/dbraw/zinc/07/49/34/989074934.db2.gz LOTDMNXHHAXPJB-CONSUNNSSA-N 2 1 406.570 3.505 20 0 HHADMP O[C@H](CO[C@@H]1CCCc2ccccc21)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471007017 989074939 /nfs/dbraw/zinc/07/49/39/989074939.db2.gz LOTDMNXHHAXPJB-CONSUNNSSA-N 2 1 406.570 3.505 20 0 HHADMP O[C@H](CO[C@@H]1CCCc2ccccc21)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471007017 989074944 /nfs/dbraw/zinc/07/49/44/989074944.db2.gz LOTDMNXHHAXPJB-CONSUNNSSA-N 2 1 406.570 3.505 20 0 HHADMP C[N@@H+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464845011 989095207 /nfs/dbraw/zinc/09/52/07/989095207.db2.gz CYGBOULSMOBEQE-TZIWHRDSSA-N 2 1 422.491 3.899 20 0 HHADMP C[NH+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464845011 989095216 /nfs/dbraw/zinc/09/52/16/989095216.db2.gz CYGBOULSMOBEQE-TZIWHRDSSA-N 2 1 422.491 3.899 20 0 HHADMP C[NH+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464845011 989095233 /nfs/dbraw/zinc/09/52/33/989095233.db2.gz CYGBOULSMOBEQE-TZIWHRDSSA-N 2 1 422.491 3.899 20 0 HHADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000471042248 989119130 /nfs/dbraw/zinc/11/91/30/989119130.db2.gz HKSHJKGDZVEAOV-GDBMZVCRSA-N 2 1 419.791 3.506 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000471042248 989119131 /nfs/dbraw/zinc/11/91/31/989119131.db2.gz HKSHJKGDZVEAOV-GDBMZVCRSA-N 2 1 419.791 3.506 20 0 HHADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000471042248 989119136 /nfs/dbraw/zinc/11/91/36/989119136.db2.gz HKSHJKGDZVEAOV-GDBMZVCRSA-N 2 1 419.791 3.506 20 0 HHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000471042248 989119142 /nfs/dbraw/zinc/11/91/42/989119142.db2.gz HKSHJKGDZVEAOV-GDBMZVCRSA-N 2 1 419.791 3.506 20 0 HHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000471042250 989119374 /nfs/dbraw/zinc/11/93/74/989119374.db2.gz HKSHJKGDZVEAOV-HOCLYGCPSA-N 2 1 419.791 3.506 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000471042250 989119379 /nfs/dbraw/zinc/11/93/79/989119379.db2.gz HKSHJKGDZVEAOV-HOCLYGCPSA-N 2 1 419.791 3.506 20 0 HHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000471042250 989119386 /nfs/dbraw/zinc/11/93/86/989119386.db2.gz HKSHJKGDZVEAOV-HOCLYGCPSA-N 2 1 419.791 3.506 20 0 HHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000471042250 989119391 /nfs/dbraw/zinc/11/93/91/989119391.db2.gz HKSHJKGDZVEAOV-HOCLYGCPSA-N 2 1 419.791 3.506 20 0 HHADMP COc1ccccc1N1CC[C@H]([NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000464870739 989130618 /nfs/dbraw/zinc/13/06/18/989130618.db2.gz RUWPBTBKTCPEAP-QHCPKHFHSA-N 2 1 407.558 3.645 20 0 HHADMP COc1ccccc1N1CC[C@H]([NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000464870739 989130619 /nfs/dbraw/zinc/13/06/19/989130619.db2.gz RUWPBTBKTCPEAP-QHCPKHFHSA-N 2 1 407.558 3.645 20 0 HHADMP CCC[N@H+](Cc1cnn(C)c1C(F)(F)F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000464883111 989148488 /nfs/dbraw/zinc/14/84/88/989148488.db2.gz NBALPQYKNGFPRD-UHFFFAOYSA-N 2 1 410.488 3.727 20 0 HHADMP CCC[N@@H+](Cc1cnn(C)c1C(F)(F)F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000464883111 989148492 /nfs/dbraw/zinc/14/84/92/989148492.db2.gz NBALPQYKNGFPRD-UHFFFAOYSA-N 2 1 410.488 3.727 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000464940673 989229227 /nfs/dbraw/zinc/22/92/27/989229227.db2.gz DJXMBGRUULCJAK-FQEVSTJZSA-N 2 1 421.029 3.829 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000465018045 989337612 /nfs/dbraw/zinc/33/76/12/989337612.db2.gz ZAECHPBYZIEAFM-NQIIRXRSSA-N 2 1 407.002 3.754 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000471374831 989551136 /nfs/dbraw/zinc/55/11/36/989551136.db2.gz SYLKRQBPHVAUMP-MXKPZRPRSA-N 2 1 414.619 3.807 20 0 HHADMP O=C(CC[N@H+]1CCc2ccccc2C1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000471404997 989582685 /nfs/dbraw/zinc/58/26/85/989582685.db2.gz VXAYHGPMBUBYDV-UHFFFAOYSA-N 2 1 411.977 3.869 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471474774 989671030 /nfs/dbraw/zinc/67/10/30/989671030.db2.gz GZXFBGCGFQZDPG-GVAUOCQISA-N 2 1 418.585 3.597 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471496056 989693861 /nfs/dbraw/zinc/69/38/61/989693861.db2.gz KONGDWHMWJCOOW-LADGPHEKSA-N 2 1 406.574 3.645 20 0 HHADMP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471530993 989730191 /nfs/dbraw/zinc/73/01/91/989730191.db2.gz ZSFNNHKXADWIPL-RUZDIDTESA-N 2 1 420.601 3.994 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)[NH+](C)C ZINC000465429227 989773538 /nfs/dbraw/zinc/77/35/38/989773538.db2.gz FNEWKMHUSCLJMM-OFNKIYASSA-N 2 1 424.589 3.604 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+](C)C ZINC000465429227 989773545 /nfs/dbraw/zinc/77/35/45/989773545.db2.gz FNEWKMHUSCLJMM-OFNKIYASSA-N 2 1 424.589 3.604 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H]1c1cccs1 ZINC000465431775 989777979 /nfs/dbraw/zinc/77/79/79/989777979.db2.gz KGUOZWHJAHROQH-RZUBCFFCSA-N 2 1 412.603 3.705 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1c1cccs1 ZINC000465431775 989777986 /nfs/dbraw/zinc/77/79/86/989777986.db2.gz KGUOZWHJAHROQH-RZUBCFFCSA-N 2 1 412.603 3.705 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1c1cccs1 ZINC000465431775 989777989 /nfs/dbraw/zinc/77/79/89/989777989.db2.gz KGUOZWHJAHROQH-RZUBCFFCSA-N 2 1 412.603 3.705 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000465436168 989781438 /nfs/dbraw/zinc/78/14/38/989781438.db2.gz UPBRRLDKRAPXSL-LJQANCHMSA-N 2 1 403.596 3.806 20 0 HHADMP COc1cccc([C@H](CNC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)[NH+](C)C)c1 ZINC000465437960 989783101 /nfs/dbraw/zinc/78/31/01/989783101.db2.gz XACKPONPLOXPHB-RDPSFJRHSA-N 2 1 424.589 3.604 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000471612268 989816908 /nfs/dbraw/zinc/81/69/08/989816908.db2.gz MTPLPPSEEHAOJF-JOCHJYFZSA-N 2 1 408.590 3.848 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471612268 989816919 /nfs/dbraw/zinc/81/69/19/989816919.db2.gz MTPLPPSEEHAOJF-JOCHJYFZSA-N 2 1 408.590 3.848 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471612268 989816929 /nfs/dbraw/zinc/81/69/29/989816929.db2.gz MTPLPPSEEHAOJF-JOCHJYFZSA-N 2 1 408.590 3.848 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)c1cccc(OC)c1 ZINC000465502881 989851923 /nfs/dbraw/zinc/85/19/23/989851923.db2.gz RVMNAZMMRNDSKI-GIWBLDEGSA-N 2 1 416.610 3.735 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000465524806 989881339 /nfs/dbraw/zinc/88/13/39/989881339.db2.gz DGKPYSQZSGIPED-ZCYQVOJMSA-N 2 1 420.601 3.987 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CCCCC1 ZINC000465532382 989892294 /nfs/dbraw/zinc/89/22/94/989892294.db2.gz FGMLYTZTANGUAP-SBHAEUEKSA-N 2 1 406.640 3.941 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)CC[C@H]3CCCC[NH+]3C)cc2)C1 ZINC000465555707 989919111 /nfs/dbraw/zinc/91/91/11/989919111.db2.gz YTUMEWAKMNNPCI-NFBKMPQASA-N 2 1 400.611 3.934 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N(C)CC[C@H]3CCCC[N@@H+]3C)cc2)C1 ZINC000465555707 989919125 /nfs/dbraw/zinc/91/91/25/989919125.db2.gz YTUMEWAKMNNPCI-NFBKMPQASA-N 2 1 400.611 3.934 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N(C)CC[C@H]3CCCC[N@H+]3C)cc2)C1 ZINC000465555707 989919134 /nfs/dbraw/zinc/91/91/34/989919134.db2.gz YTUMEWAKMNNPCI-NFBKMPQASA-N 2 1 400.611 3.934 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000465558290 989923125 /nfs/dbraw/zinc/92/31/25/989923125.db2.gz OJSHDXLCLWFLLM-HXUWFJFHSA-N 2 1 400.611 3.982 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)C1 ZINC000465568390 989936644 /nfs/dbraw/zinc/93/66/44/989936644.db2.gz KJSGVEWUTAGXKW-SFTDATJTSA-N 2 1 400.611 3.934 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000465568390 989936650 /nfs/dbraw/zinc/93/66/50/989936650.db2.gz KJSGVEWUTAGXKW-SFTDATJTSA-N 2 1 400.611 3.934 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000465568390 989936657 /nfs/dbraw/zinc/93/66/57/989936657.db2.gz KJSGVEWUTAGXKW-SFTDATJTSA-N 2 1 400.611 3.934 20 0 HHADMP CC1CC[NH+](CCCNC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CC1 ZINC000465604454 989986719 /nfs/dbraw/zinc/98/67/19/989986719.db2.gz RMNLUIGMJBCDOY-UHFFFAOYSA-N 2 1 412.578 3.833 20 0 HHADMP CC1CC[NH+](CCCNC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CC1 ZINC000465604454 989986731 /nfs/dbraw/zinc/98/67/31/989986731.db2.gz RMNLUIGMJBCDOY-UHFFFAOYSA-N 2 1 412.578 3.833 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCc3sccc3C2)CC[N@@H+]1C ZINC000465605490 989987615 /nfs/dbraw/zinc/98/76/15/989987615.db2.gz PZTFJSKIGUGIOQ-UIFIKXQLSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCc3sccc3C2)CC[N@H+]1C ZINC000465605490 989987622 /nfs/dbraw/zinc/98/76/22/989987622.db2.gz PZTFJSKIGUGIOQ-UIFIKXQLSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC[NH+]1C ZINC000465605490 989987629 /nfs/dbraw/zinc/98/76/29/989987629.db2.gz PZTFJSKIGUGIOQ-UIFIKXQLSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CC[NH+]1C ZINC000465605490 989987635 /nfs/dbraw/zinc/98/76/35/989987635.db2.gz PZTFJSKIGUGIOQ-UIFIKXQLSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465613870 989999488 /nfs/dbraw/zinc/99/94/88/989999488.db2.gz ZRZHCCYOOYCPDA-FYYLOGMGSA-N 2 1 400.611 3.662 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465613870 989999495 /nfs/dbraw/zinc/99/94/95/989999495.db2.gz ZRZHCCYOOYCPDA-FYYLOGMGSA-N 2 1 400.611 3.662 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465613870 989999498 /nfs/dbraw/zinc/99/94/98/989999498.db2.gz ZRZHCCYOOYCPDA-FYYLOGMGSA-N 2 1 400.611 3.662 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000465624844 990010038 /nfs/dbraw/zinc/01/00/38/990010038.db2.gz GWNAUPCQJOOGMS-IBGZPJMESA-N 2 1 407.002 3.678 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCc1csc2ccccc12 ZINC000465637420 990023978 /nfs/dbraw/zinc/02/39/78/990023978.db2.gz MLFMMEUUDZOLPL-IBGZPJMESA-N 2 1 402.608 3.501 20 0 HHADMP C[C@H](CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000465689192 990074380 /nfs/dbraw/zinc/07/43/80/990074380.db2.gz GRSYZEOBADOTTQ-GGAORHGYSA-N 2 1 420.601 3.597 20 0 HHADMP C[C@H](CNC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000465689192 990074394 /nfs/dbraw/zinc/07/43/94/990074394.db2.gz GRSYZEOBADOTTQ-GGAORHGYSA-N 2 1 420.601 3.597 20 0 HHADMP C[C@H](CNC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000465689192 990074405 /nfs/dbraw/zinc/07/44/05/990074405.db2.gz GRSYZEOBADOTTQ-GGAORHGYSA-N 2 1 420.601 3.597 20 0 HHADMP C[C@H]1CCN(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000465700457 990087059 /nfs/dbraw/zinc/08/70/59/990087059.db2.gz YGIFPGBONAUUQT-WMZHIEFXSA-N 2 1 412.553 3.734 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000465713086 990097746 /nfs/dbraw/zinc/09/77/46/990097746.db2.gz BBRVDDVTAMUCNE-ATZDWAIDSA-N 2 1 414.516 3.870 20 0 HHADMP C[C@@H]1CCC[C@](CNC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)([NH+](C)C)C1 ZINC000465724756 990110327 /nfs/dbraw/zinc/11/03/27/990110327.db2.gz NZLLDKUGJTYJQT-BKULYWANSA-N 2 1 400.611 3.660 20 0 HHADMP COc1cccc([C@H]2[C@@H](NC(=O)Nc3ccccc3CC[NH+](C)C)CC[N@H+]2C2CC2)c1 ZINC000471962828 990128846 /nfs/dbraw/zinc/12/88/46/990128846.db2.gz FLICYGLEHYLMIJ-ZEQRLZLVSA-N 2 1 422.573 3.899 20 0 HHADMP C[N@@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCc3sccc3C2)[C@@H]1c1cccs1 ZINC000465757214 990142419 /nfs/dbraw/zinc/14/24/19/990142419.db2.gz PMMCUENDNKLBAK-OXJNMPFZSA-N 2 1 418.632 3.550 20 0 HHADMP C[N@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCc3sccc3C2)[C@@H]1c1cccs1 ZINC000465757214 990142423 /nfs/dbraw/zinc/14/24/23/990142423.db2.gz PMMCUENDNKLBAK-OXJNMPFZSA-N 2 1 418.632 3.550 20 0 HHADMP C[NH+]1CCC[C@@H](CNC(=O)NCC[N@@H+]2CCc3sccc3C2)[C@@H]1c1cccs1 ZINC000465757214 990142425 /nfs/dbraw/zinc/14/24/25/990142425.db2.gz PMMCUENDNKLBAK-OXJNMPFZSA-N 2 1 418.632 3.550 20 0 HHADMP C[NH+]1CCC[C@@H](CNC(=O)NCC[N@H+]2CCc3sccc3C2)[C@@H]1c1cccs1 ZINC000465757214 990142427 /nfs/dbraw/zinc/14/24/27/990142427.db2.gz PMMCUENDNKLBAK-OXJNMPFZSA-N 2 1 418.632 3.550 20 0 HHADMP C[C@@H](CCNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000472009283 990177506 /nfs/dbraw/zinc/17/75/06/990177506.db2.gz MUTWESHYINPMMX-XUZZJYLKSA-N 2 1 408.590 3.718 20 0 HHADMP C[C@@H](CCNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000472009283 990177511 /nfs/dbraw/zinc/17/75/11/990177511.db2.gz MUTWESHYINPMMX-XUZZJYLKSA-N 2 1 408.590 3.718 20 0 HHADMP C[C@@H](CCNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000472009283 990177517 /nfs/dbraw/zinc/17/75/17/990177517.db2.gz MUTWESHYINPMMX-XUZZJYLKSA-N 2 1 408.590 3.718 20 0 HHADMP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000472056898 990221060 /nfs/dbraw/zinc/22/10/60/990221060.db2.gz AQAAFJQQMGFUIS-NQIIRXRSSA-N 2 1 424.992 3.989 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000472074973 990234750 /nfs/dbraw/zinc/23/47/50/990234750.db2.gz PWUUJNGIEVTUOR-NQHRYMMQSA-N 2 1 420.601 3.861 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000472074973 990234757 /nfs/dbraw/zinc/23/47/57/990234757.db2.gz PWUUJNGIEVTUOR-NQHRYMMQSA-N 2 1 420.601 3.861 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000472074973 990234765 /nfs/dbraw/zinc/23/47/65/990234765.db2.gz PWUUJNGIEVTUOR-NQHRYMMQSA-N 2 1 420.601 3.861 20 0 HHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465858557 990969564 /nfs/dbraw/zinc/96/95/64/990969564.db2.gz AOPPIDGMEUOAQS-GOTSBHOMSA-N 2 1 400.611 3.805 20 0 HHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000465858557 990969574 /nfs/dbraw/zinc/96/95/74/990969574.db2.gz AOPPIDGMEUOAQS-GOTSBHOMSA-N 2 1 400.611 3.805 20 0 HHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000465858557 990969584 /nfs/dbraw/zinc/96/95/84/990969584.db2.gz AOPPIDGMEUOAQS-GOTSBHOMSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000465859641 990970775 /nfs/dbraw/zinc/97/07/75/990970775.db2.gz BQSIZVVSAWYRHD-ZJSXRUAMSA-N 2 1 414.638 3.845 20 0 HHADMP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000465911926 991042689 /nfs/dbraw/zinc/04/26/89/991042689.db2.gz SIRLYFJKBKIPHD-PMACEKPBSA-N 2 1 412.578 3.974 20 0 HHADMP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000465911926 991042702 /nfs/dbraw/zinc/04/27/02/991042702.db2.gz SIRLYFJKBKIPHD-PMACEKPBSA-N 2 1 412.578 3.974 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC[N@H+]1C ZINC000465913947 991046370 /nfs/dbraw/zinc/04/63/70/991046370.db2.gz YNDHWCWLTFMXRD-XLIONFOSSA-N 2 1 407.002 3.676 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000466014816 991180499 /nfs/dbraw/zinc/18/04/99/991180499.db2.gz ZANWXCDJXQEIBG-HSZRJFAPSA-N 2 1 424.589 3.975 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000466014816 991180503 /nfs/dbraw/zinc/18/05/03/991180503.db2.gz ZANWXCDJXQEIBG-HSZRJFAPSA-N 2 1 424.589 3.975 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466014816 991180507 /nfs/dbraw/zinc/18/05/07/991180507.db2.gz ZANWXCDJXQEIBG-HSZRJFAPSA-N 2 1 424.589 3.975 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466014816 991180513 /nfs/dbraw/zinc/18/05/13/991180513.db2.gz ZANWXCDJXQEIBG-HSZRJFAPSA-N 2 1 424.589 3.975 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)[C@@H]1c1cccs1 ZINC000466079041 991254291 /nfs/dbraw/zinc/25/42/91/991254291.db2.gz OHUJHMBPZSHIGI-SFHLNBCPSA-N 2 1 404.624 3.791 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)[C@@H]1c1cccs1 ZINC000466084603 991263235 /nfs/dbraw/zinc/26/32/35/991263235.db2.gz YNBSWHBLWPYFKI-SFHLNBCPSA-N 2 1 404.624 3.791 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)[C@H]1c1cccs1 ZINC000466084601 991263721 /nfs/dbraw/zinc/26/37/21/991263721.db2.gz YNBSWHBLWPYFKI-DYXWJJEUSA-N 2 1 404.624 3.791 20 0 HHADMP Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1NC(=O)CC[NH+](C)C ZINC000466247871 991484114 /nfs/dbraw/zinc/48/41/14/991484114.db2.gz NBFJHAQUAIIVPV-OAQYLSRUSA-N 2 1 422.573 3.736 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[N@H+]1Cc1ccccc1 ZINC000466400989 991694705 /nfs/dbraw/zinc/69/47/05/991694705.db2.gz XOUCBBYPDNSRMM-HYBUGGRVSA-N 2 1 406.574 3.745 20 0 HHADMP Cc1noc(C2CC2)c1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000466920562 992233880 /nfs/dbraw/zinc/23/38/80/992233880.db2.gz FVVQLJVHYGSKIG-UHFFFAOYSA-N 2 1 403.571 3.520 20 0 HHADMP O=C(C[N@H+]1CCC[C@H](Cc2csc3ccccc23)C1)NC1CC[NH+](C2CC2)CC1 ZINC000466924958 992237533 /nfs/dbraw/zinc/23/75/33/992237533.db2.gz LZJFWFRWXQBGKO-GOSISDBHSA-N 2 1 411.615 3.899 20 0 HHADMP C[NH+](C)CCc1ccc(CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000466952826 992262765 /nfs/dbraw/zinc/26/27/65/992262765.db2.gz HDTZWOLQZHQJNG-NRFANRHFSA-N 2 1 402.970 3.546 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1 ZINC000466967639 992278433 /nfs/dbraw/zinc/27/84/33/992278433.db2.gz PMPUAADHQSBPBY-SFHVURJKSA-N 2 1 405.546 3.845 20 0 HHADMP CCN(C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000467087578 992393207 /nfs/dbraw/zinc/39/32/07/992393207.db2.gz ZRDVMKAYEOPOJO-DEOSSOPVSA-N 2 1 408.590 3.597 20 0 HHADMP C[C@@H]1CCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000467094232 992399605 /nfs/dbraw/zinc/39/96/05/992399605.db2.gz ITIDTRSNSWLWKX-OAQYLSRUSA-N 2 1 408.590 3.597 20 0 HHADMP C[NH+](C)CCc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000467097110 992402749 /nfs/dbraw/zinc/40/27/49/992402749.db2.gz VYKSQXRFHSBDRX-IRLDBZIGSA-N 2 1 414.619 3.735 20 0 HHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccnn1-c1ccccc1 ZINC000467314328 992636728 /nfs/dbraw/zinc/63/67/28/992636728.db2.gz UOTPHXMUKFBTMY-BWKNWUBXSA-N 2 1 403.574 3.902 20 0 HHADMP Cc1ccc(NC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000467468093 992760720 /nfs/dbraw/zinc/76/07/20/992760720.db2.gz QLLLDIWHNRNYLF-CTNGQTDRSA-N 2 1 410.562 3.720 20 0 HHADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](Cc2ccccc2Br)c2ccc(F)cc2)C1 ZINC000467633173 992897386 /nfs/dbraw/zinc/89/73/86/992897386.db2.gz ATCBPEUTTHUZCJ-VQTJNVASSA-N 2 1 407.327 3.528 20 0 HHADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](Cc2ccccc2Br)c2ccc(F)cc2)C1 ZINC000467633173 992897396 /nfs/dbraw/zinc/89/73/96/992897396.db2.gz ATCBPEUTTHUZCJ-VQTJNVASSA-N 2 1 407.327 3.528 20 0 HHADMP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472305584 993317412 /nfs/dbraw/zinc/31/74/12/993317412.db2.gz MJUZOBAONJMYLN-JOCHJYFZSA-N 2 1 400.611 3.852 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000472326146 993336096 /nfs/dbraw/zinc/33/60/96/993336096.db2.gz YRZWAXAPRDDGQD-GMKZXUHWSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000472326146 993336100 /nfs/dbraw/zinc/33/61/00/993336100.db2.gz YRZWAXAPRDDGQD-GMKZXUHWSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000472326146 993336107 /nfs/dbraw/zinc/33/61/07/993336107.db2.gz YRZWAXAPRDDGQD-GMKZXUHWSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000472326148 993336176 /nfs/dbraw/zinc/33/61/76/993336176.db2.gz YRZWAXAPRDDGQD-JRFVFWCSSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000472326148 993336182 /nfs/dbraw/zinc/33/61/82/993336182.db2.gz YRZWAXAPRDDGQD-JRFVFWCSSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000472326148 993336186 /nfs/dbraw/zinc/33/61/86/993336186.db2.gz YRZWAXAPRDDGQD-JRFVFWCSSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000472326154 993336268 /nfs/dbraw/zinc/33/62/68/993336268.db2.gz YRZWAXAPRDDGQD-YFNKSVMNSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000472326154 993336272 /nfs/dbraw/zinc/33/62/72/993336272.db2.gz YRZWAXAPRDDGQD-YFNKSVMNSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000472326154 993336274 /nfs/dbraw/zinc/33/62/74/993336274.db2.gz YRZWAXAPRDDGQD-YFNKSVMNSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COc2cccc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000472575638 993543346 /nfs/dbraw/zinc/54/33/46/993543346.db2.gz VBVMIFTTWRCERN-CEMLEFRQSA-N 2 1 407.558 3.893 20 0 HHADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COc2cccc3[nH]ccc32)CC[N@H+]1Cc1ccccc1 ZINC000472575638 993543351 /nfs/dbraw/zinc/54/33/51/993543351.db2.gz VBVMIFTTWRCERN-CEMLEFRQSA-N 2 1 407.558 3.893 20 0 HHADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COc2cccc3[nH]ccc32)CC[NH+]1Cc1ccccc1 ZINC000472575638 993543357 /nfs/dbraw/zinc/54/33/57/993543357.db2.gz VBVMIFTTWRCERN-CEMLEFRQSA-N 2 1 407.558 3.893 20 0 HHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)COc2cccc3[nH]ccc32)CC[NH+]1Cc1ccccc1 ZINC000472575638 993543362 /nfs/dbraw/zinc/54/33/62/993543362.db2.gz VBVMIFTTWRCERN-CEMLEFRQSA-N 2 1 407.558 3.893 20 0 HHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COc2cccc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000472575640 993543623 /nfs/dbraw/zinc/54/36/23/993543623.db2.gz VBVMIFTTWRCERN-HJNYFJLDSA-N 2 1 407.558 3.893 20 0 HHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COc2cccc3[nH]ccc32)CC[N@H+]1Cc1ccccc1 ZINC000472575640 993543629 /nfs/dbraw/zinc/54/36/29/993543629.db2.gz VBVMIFTTWRCERN-HJNYFJLDSA-N 2 1 407.558 3.893 20 0 HHADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COc2cccc3[nH]ccc32)CC[NH+]1Cc1ccccc1 ZINC000472575640 993543634 /nfs/dbraw/zinc/54/36/34/993543634.db2.gz VBVMIFTTWRCERN-HJNYFJLDSA-N 2 1 407.558 3.893 20 0 HHADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)COc2cccc3[nH]ccc32)CC[NH+]1Cc1ccccc1 ZINC000472575640 993543641 /nfs/dbraw/zinc/54/36/41/993543641.db2.gz VBVMIFTTWRCERN-HJNYFJLDSA-N 2 1 407.558 3.893 20 0 HHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccc(-n4ccnc4)cc3)cc2)CC1 ZINC000480725894 993593869 /nfs/dbraw/zinc/59/38/69/993593869.db2.gz ZXHSBYKFDBEIGW-NRFANRHFSA-N 2 1 403.574 3.861 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000480745543 993612968 /nfs/dbraw/zinc/61/29/68/993612968.db2.gz CERROHHZRQORDU-LJQANCHMSA-N 2 1 415.603 3.918 20 0 HHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000480778538 993644494 /nfs/dbraw/zinc/64/44/94/993644494.db2.gz IDTJQJJURRDFHQ-CYFREDJKSA-N 2 1 420.601 3.946 20 0 HHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc(-n2cccn2)cc1 ZINC000480783428 993650558 /nfs/dbraw/zinc/65/05/58/993650558.db2.gz ZZYQYXLUMPCFBY-PXDATVDWSA-N 2 1 403.574 3.902 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000481038214 993882311 /nfs/dbraw/zinc/88/23/11/993882311.db2.gz LXXLZAIUCJAWAL-KGVIQGDOSA-N 2 1 401.576 3.619 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000481038214 993882319 /nfs/dbraw/zinc/88/23/19/993882319.db2.gz LXXLZAIUCJAWAL-KGVIQGDOSA-N 2 1 401.576 3.619 20 0 HHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1)c1ccco1 ZINC000481096711 993934144 /nfs/dbraw/zinc/93/41/44/993934144.db2.gz XKSAXJPXGCOJGT-JZXOWHBKSA-N 2 1 404.580 3.516 20 0 HHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1)c1ccco1 ZINC000481096711 993934154 /nfs/dbraw/zinc/93/41/54/993934154.db2.gz XKSAXJPXGCOJGT-JZXOWHBKSA-N 2 1 404.580 3.516 20 0 HHADMP Cn1c(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)nnc1-c1ccc(Cl)cc1 ZINC000473044243 993963087 /nfs/dbraw/zinc/96/30/87/993963087.db2.gz HHSGDEUDKWEVIH-UHFFFAOYSA-N 2 1 410.953 3.879 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000473069765 993989701 /nfs/dbraw/zinc/98/97/01/993989701.db2.gz CABRZWABQZXVSF-QGZVFWFLSA-N 2 1 400.489 3.894 20 0 HHADMP CC(C)Oc1cccc(CNC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481176584 994006410 /nfs/dbraw/zinc/00/64/10/994006410.db2.gz MAELQEXSOPGVGC-RDPSFJRHSA-N 2 1 409.574 3.590 20 0 HHADMP CC(C)Oc1cccc(CNC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481176584 994006417 /nfs/dbraw/zinc/00/64/17/994006417.db2.gz MAELQEXSOPGVGC-RDPSFJRHSA-N 2 1 409.574 3.590 20 0 HHADMP CC(C)OCc1cccc(CNC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481177315 994007660 /nfs/dbraw/zinc/00/76/60/994007660.db2.gz UFNWZVILDNOXSF-BWKNWUBXSA-N 2 1 423.601 3.728 20 0 HHADMP CC(C)OCc1cccc(CNC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481177315 994007667 /nfs/dbraw/zinc/00/76/67/994007667.db2.gz UFNWZVILDNOXSF-BWKNWUBXSA-N 2 1 423.601 3.728 20 0 HHADMP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)CCC3)cc1 ZINC000481176800 994008045 /nfs/dbraw/zinc/00/80/45/994008045.db2.gz SJHWZDIPLDYRTQ-IBGZPJMESA-N 2 1 401.576 3.633 20 0 HHADMP CCOc1ccc(CN(C)C(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481204918 994038192 /nfs/dbraw/zinc/03/81/92/994038192.db2.gz VMJDOVNPLKYXHE-HYBUGGRVSA-N 2 1 409.574 3.544 20 0 HHADMP CCOc1ccc(CN(C)C(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481204918 994038200 /nfs/dbraw/zinc/03/82/00/994038200.db2.gz VMJDOVNPLKYXHE-HYBUGGRVSA-N 2 1 409.574 3.544 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)[C@H](C)C1 ZINC000481306993 994123239 /nfs/dbraw/zinc/12/32/39/994123239.db2.gz NASGJIDKDTTWNS-JPYJTQIMSA-N 2 1 409.565 3.656 20 0 HHADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000473298460 994153683 /nfs/dbraw/zinc/15/36/83/994153683.db2.gz CDQWMCMVNQZJTJ-GOTSBHOMSA-N 2 1 409.549 3.676 20 0 HHADMP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000473298460 994153688 /nfs/dbraw/zinc/15/36/88/994153688.db2.gz CDQWMCMVNQZJTJ-GOTSBHOMSA-N 2 1 409.549 3.676 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000473298460 994153693 /nfs/dbraw/zinc/15/36/93/994153693.db2.gz CDQWMCMVNQZJTJ-GOTSBHOMSA-N 2 1 409.549 3.676 20 0 HHADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(OCc3cn4ccccc4n3)c2)CC1 ZINC000481425565 994261077 /nfs/dbraw/zinc/26/10/77/994261077.db2.gz RHVKFQRLBVDPQW-IBGZPJMESA-N 2 1 408.546 3.675 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC000481686199 994546798 /nfs/dbraw/zinc/54/67/98/994546798.db2.gz OGUFEHRCIIDBQI-ZJSXRUAMSA-N 2 1 408.590 3.861 20 0 HHADMP CC1(C)CC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000481906144 994778330 /nfs/dbraw/zinc/77/83/30/994778330.db2.gz CONCBHKCVALYPR-RBBKRZOGSA-N 2 1 412.622 3.992 20 0 HHADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000481922777 994795375 /nfs/dbraw/zinc/79/53/75/994795375.db2.gz YVXQFZRIXCXDDQ-KRWDZBQOSA-N 2 1 419.491 3.814 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000473881337 994827940 /nfs/dbraw/zinc/82/79/40/994827940.db2.gz CFBAVGVKWSHPND-GKJHBJHPSA-N 2 1 414.619 3.807 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000473885012 994834317 /nfs/dbraw/zinc/83/43/17/994834317.db2.gz KBXDMNBPKGAIEC-WGMWDUQUSA-N 2 1 400.611 3.751 20 0 HHADMP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1CCC(OCCC[NH+](C)C)CC1 ZINC000481978317 994872210 /nfs/dbraw/zinc/87/22/10/994872210.db2.gz PTWXXZVVKVBXTR-UHFFFAOYSA-N 2 1 413.562 3.965 20 0 HHADMP C[C@@H](NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1Br ZINC000482111888 995059007 /nfs/dbraw/zinc/05/90/07/995059007.db2.gz FIBHGOIQJGDNTI-MRXNPFEDSA-N 2 1 421.358 3.846 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)c3ccncc3)cc2)[C@@H](C)C1 ZINC000482124484 995072757 /nfs/dbraw/zinc/07/27/57/995072757.db2.gz YRNKSDRPOSJHSW-WMZHIEFXSA-N 2 1 410.562 3.561 20 0 HHADMP CC1CC[NH+](CC(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)CC1 ZINC000474103176 995083661 /nfs/dbraw/zinc/08/36/61/995083661.db2.gz HLTJEZVDGRGTBB-HXUWFJFHSA-N 2 1 411.512 3.631 20 0 HHADMP CC1CC[NH+](CC(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)CC1 ZINC000474103176 995083672 /nfs/dbraw/zinc/08/36/72/995083672.db2.gz HLTJEZVDGRGTBB-HXUWFJFHSA-N 2 1 411.512 3.631 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000482157698 995112277 /nfs/dbraw/zinc/11/22/77/995112277.db2.gz NCDFOLFDQLUPFE-GJYPPUQNSA-N 2 1 415.500 3.759 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000482157698 995112281 /nfs/dbraw/zinc/11/22/81/995112281.db2.gz NCDFOLFDQLUPFE-GJYPPUQNSA-N 2 1 415.500 3.759 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000482259338 995237232 /nfs/dbraw/zinc/23/72/32/995237232.db2.gz DMRTUQYDGCOXAP-ISKFKSNPSA-N 2 1 412.622 3.803 20 0 HHADMP O=C(NC1CC[NH+](CC2CC2)CC1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482284517 995263449 /nfs/dbraw/zinc/26/34/49/995263449.db2.gz BQFLEQLVEUOPGZ-ISKFKSNPSA-N 2 1 410.606 3.557 20 0 HHADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000474361422 995341794 /nfs/dbraw/zinc/34/17/94/995341794.db2.gz CNTNHKWFZRAJRN-VNXZQDSDSA-N 2 1 412.622 3.776 20 0 HHADMP C[NH+](C)CCc1ccccc1NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000482368923 995351368 /nfs/dbraw/zinc/35/13/68/995351368.db2.gz UPHIMXPTMNXNGC-VWLOTQADSA-N 2 1 406.574 3.921 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000474462413 995424743 /nfs/dbraw/zinc/42/47/43/995424743.db2.gz ZGJWRIJFRZADDQ-UHFFFAOYSA-N 2 1 410.562 3.728 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000474462413 995424745 /nfs/dbraw/zinc/42/47/45/995424745.db2.gz ZGJWRIJFRZADDQ-UHFFFAOYSA-N 2 1 410.562 3.728 20 0 HHADMP O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474488069 995445785 /nfs/dbraw/zinc/44/57/85/995445785.db2.gz GPROOEWKCLPZAW-DEOSSOPVSA-N 2 1 409.549 3.613 20 0 HHADMP O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474488069 995445791 /nfs/dbraw/zinc/44/57/91/995445791.db2.gz GPROOEWKCLPZAW-DEOSSOPVSA-N 2 1 409.549 3.613 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C[C@@H]1C ZINC000474505788 995466253 /nfs/dbraw/zinc/46/62/53/995466253.db2.gz LADZWZXIEHOSNC-XLGPZGCCSA-N 2 1 400.611 3.657 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H]1C ZINC000474505788 995466258 /nfs/dbraw/zinc/46/62/58/995466258.db2.gz LADZWZXIEHOSNC-XLGPZGCCSA-N 2 1 400.611 3.657 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H]1C ZINC000474505788 995466261 /nfs/dbraw/zinc/46/62/61/995466261.db2.gz LADZWZXIEHOSNC-XLGPZGCCSA-N 2 1 400.611 3.657 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000474527380 995493198 /nfs/dbraw/zinc/49/31/98/995493198.db2.gz XIMZWMIXPYFMHZ-QEFHDYNCSA-N 2 1 412.622 3.516 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000474527380 995493207 /nfs/dbraw/zinc/49/32/07/995493207.db2.gz XIMZWMIXPYFMHZ-QEFHDYNCSA-N 2 1 412.622 3.516 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000474527380 995493213 /nfs/dbraw/zinc/49/32/13/995493213.db2.gz XIMZWMIXPYFMHZ-QEFHDYNCSA-N 2 1 412.622 3.516 20 0 HHADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000482531376 995540311 /nfs/dbraw/zinc/54/03/11/995540311.db2.gz PYMBABHAAZIMIA-DHIUTWEWSA-N 2 1 410.606 3.696 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)C1 ZINC000482532942 995541723 /nfs/dbraw/zinc/54/17/23/995541723.db2.gz LCVIACODOUUOII-SJLPKXTDSA-N 2 1 416.566 3.504 20 0 HHADMP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000482544387 995552321 /nfs/dbraw/zinc/55/23/21/995552321.db2.gz RWLSFMVNSHUDMT-APWZRJJASA-N 2 1 400.592 3.665 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)C1 ZINC000482570405 995575356 /nfs/dbraw/zinc/57/53/56/995575356.db2.gz WJHQWFXYMZBZQZ-QAPCUYQASA-N 2 1 416.566 3.504 20 0 HHADMP CC1CC[NH+](CC(=O)N2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000474714733 995653752 /nfs/dbraw/zinc/65/37/52/995653752.db2.gz OPGRZBRIYCIZQX-UHFFFAOYSA-N 2 1 411.512 3.860 20 0 HHADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474798340 995714259 /nfs/dbraw/zinc/71/42/59/995714259.db2.gz KMFMJCVOBXOGMS-IAGOWNOFSA-N 2 1 421.301 3.935 20 0 HHADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482809063 995764045 /nfs/dbraw/zinc/76/40/45/995764045.db2.gz CEVUJIVBLNGVCY-QFBILLFUSA-N 2 1 415.965 3.897 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c2cccc(Br)c21 ZINC000482875076 995809143 /nfs/dbraw/zinc/80/91/43/995809143.db2.gz QJWNEZNXUKTOQZ-KDOFPFPSSA-N 2 1 408.384 3.530 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(Cc3c(F)cccc3F)C2)[C@@H](C)C1 ZINC000482887881 995819293 /nfs/dbraw/zinc/81/92/93/995819293.db2.gz LHVMTGPFMWAHPP-YDHSSHFGSA-N 2 1 409.565 3.656 20 0 HHADMP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000482893077 995822821 /nfs/dbraw/zinc/82/28/21/995822821.db2.gz REPMTHCEMCAIML-OAHLLOKOSA-N 2 1 418.582 3.851 20 0 HHADMP CCN(C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475009679 995866137 /nfs/dbraw/zinc/86/61/37/995866137.db2.gz RNUQKIHOOREAJS-ISKFKSNPSA-N 2 1 424.589 3.604 20 0 HHADMP CCN(C(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475034140 995883669 /nfs/dbraw/zinc/88/36/69/995883669.db2.gz USSKDDFCZOMUOW-VQTJNVASSA-N 2 1 400.592 3.657 20 0 HHADMP CC(C)(CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000475112181 995929774 /nfs/dbraw/zinc/92/97/74/995929774.db2.gz FDHINGSDKAJBLK-UHFFFAOYSA-N 2 1 412.622 3.920 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1)c1ccccc1 ZINC000475137647 995946973 /nfs/dbraw/zinc/94/69/73/995946973.db2.gz KNRPTJMLCCKHIX-NQIIRXRSSA-N 2 1 424.520 3.565 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1)c1ccccc1 ZINC000475137647 995946979 /nfs/dbraw/zinc/94/69/79/995946979.db2.gz KNRPTJMLCCKHIX-NQIIRXRSSA-N 2 1 424.520 3.565 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483117295 995986270 /nfs/dbraw/zinc/98/62/70/995986270.db2.gz GQZWNPHHHWQLFL-KNQAVFIVSA-N 2 1 409.549 3.784 20 0 HHADMP CC[C@@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)c1ccccc1OCC(=O)N(C)C ZINC000483188303 996027104 /nfs/dbraw/zinc/02/71/04/996027104.db2.gz AYXISDDJOFHYCS-OAQYLSRUSA-N 2 1 410.562 3.567 20 0 HHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000483190450 996028114 /nfs/dbraw/zinc/02/81/14/996028114.db2.gz DBGYXCJMTWALNR-RTBURBONSA-N 2 1 420.619 3.554 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000475266039 996034165 /nfs/dbraw/zinc/03/41/65/996034165.db2.gz CZXFPSWHFRSMNP-SDUSCBPUSA-N 2 1 420.601 3.955 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000475266039 996034170 /nfs/dbraw/zinc/03/41/70/996034170.db2.gz CZXFPSWHFRSMNP-SDUSCBPUSA-N 2 1 420.601 3.955 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000475266039 996034176 /nfs/dbraw/zinc/03/41/76/996034176.db2.gz CZXFPSWHFRSMNP-SDUSCBPUSA-N 2 1 420.601 3.955 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3OC(F)F)C2)[C@@H](C)C1 ZINC000483200698 996034204 /nfs/dbraw/zinc/03/42/04/996034204.db2.gz OKFUGQOJNWMAQP-FHWLQOOXSA-N 2 1 411.537 3.593 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000475278333 996041136 /nfs/dbraw/zinc/04/11/36/996041136.db2.gz IQMZIDCMLRUABE-XMMPIXPASA-N 3 1 406.618 3.830 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000475278333 996041142 /nfs/dbraw/zinc/04/11/42/996041142.db2.gz IQMZIDCMLRUABE-XMMPIXPASA-N 2 1 406.618 3.830 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000475278333 996041144 /nfs/dbraw/zinc/04/11/44/996041144.db2.gz IQMZIDCMLRUABE-XMMPIXPASA-N 2 1 406.618 3.830 20 0 HHADMP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000483236032 996052430 /nfs/dbraw/zinc/05/24/30/996052430.db2.gz OGDCAHKZHAYEKE-KXBFYZLASA-N 2 1 409.368 3.753 20 0 HHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(-c4cccc(F)c4F)o3)CC2)CC1 ZINC000483257055 996064520 /nfs/dbraw/zinc/06/45/20/996064520.db2.gz PNPUHSGNSAGQNB-UHFFFAOYSA-N 2 1 417.500 3.601 20 0 HHADMP C[NH+]1CCN([C@@H](C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c2ccccc2)CC1 ZINC000483462962 996196254 /nfs/dbraw/zinc/19/62/54/996196254.db2.gz HXQPHWOTIOQYDP-RUZDIDTESA-N 2 1 420.601 3.642 20 0 HHADMP C[N@H+]1CCC[C@H]2CN(CC(=O)N(CCc3ccccc3)Cc3ccccc3)CC[C@@H]21 ZINC000483470817 996201001 /nfs/dbraw/zinc/20/10/01/996201001.db2.gz HEQWYXXKXMWSMR-DQEYMECFSA-N 2 1 405.586 3.674 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)C1CC1 ZINC000483680162 996325238 /nfs/dbraw/zinc/32/52/38/996325238.db2.gz GECHZBKUBPQSEK-XMMPIXPASA-N 2 1 424.589 3.796 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C[C@@H]1C ZINC000483708513 996341120 /nfs/dbraw/zinc/34/11/20/996341120.db2.gz JMUJBIWNROVUDG-LAUBAEHRSA-N 2 1 407.002 3.819 20 0 HHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000483739468 996359239 /nfs/dbraw/zinc/35/92/39/996359239.db2.gz GOIDKBQYBXNQCP-MDKPJZGXSA-N 2 1 421.632 3.732 20 0 HHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000483739468 996359243 /nfs/dbraw/zinc/35/92/43/996359243.db2.gz GOIDKBQYBXNQCP-MDKPJZGXSA-N 2 1 421.632 3.732 20 0 HHADMP C[NH+](CCNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Cc1ccc(F)cc1 ZINC000483755450 996367628 /nfs/dbraw/zinc/36/76/28/996367628.db2.gz JCPRYPQDDQHJDV-IBGZPJMESA-N 2 1 418.582 3.530 20 0 HHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)NC1CC[NH+](C2CCCC2)CC1 ZINC000483760324 996370332 /nfs/dbraw/zinc/37/03/32/996370332.db2.gz PBKVSZGOQYYZDQ-SFHVURJKSA-N 2 1 404.624 3.666 20 0 HHADMP C[N@@H+](CCNC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1)Cc1ccc(F)cc1 ZINC000483800089 996395966 /nfs/dbraw/zinc/39/59/66/996395966.db2.gz AZOFQGXDGKRHQG-WIYYLYMNSA-N 2 1 418.582 3.701 20 0 HHADMP C[NH+](CCNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)Cc1ccc(F)cc1 ZINC000483800089 996395969 /nfs/dbraw/zinc/39/59/69/996395969.db2.gz AZOFQGXDGKRHQG-WIYYLYMNSA-N 2 1 418.582 3.701 20 0 HHADMP C[NH+](CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)Cc1ccc(F)cc1 ZINC000483800089 996395971 /nfs/dbraw/zinc/39/59/71/996395971.db2.gz AZOFQGXDGKRHQG-WIYYLYMNSA-N 2 1 418.582 3.701 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2cccc(Br)c2)[C@H](C)C1 ZINC000483814921 996405746 /nfs/dbraw/zinc/40/57/46/996405746.db2.gz HCZXCNZOQYKJHE-HLIPFELVSA-N 2 1 413.400 3.943 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C(C)C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000483877749 996443770 /nfs/dbraw/zinc/44/37/70/996443770.db2.gz TUDJQIYQJLBHLR-NHCUHLMSSA-N 2 1 408.537 3.661 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C(C)C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000483877749 996443774 /nfs/dbraw/zinc/44/37/74/996443774.db2.gz TUDJQIYQJLBHLR-NHCUHLMSSA-N 2 1 408.537 3.661 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475891528 996448681 /nfs/dbraw/zinc/44/86/81/996448681.db2.gz JLVDUBGYHNFVRZ-YKSBVNFPSA-N 2 1 409.578 3.525 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475891528 996448683 /nfs/dbraw/zinc/44/86/83/996448683.db2.gz JLVDUBGYHNFVRZ-YKSBVNFPSA-N 2 1 409.578 3.525 20 0 HHADMP COc1cccc([C@@H]2[C@H](NC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC[N@H+]2C2CC2)c1 ZINC000483972874 996499559 /nfs/dbraw/zinc/49/95/59/996499559.db2.gz IWEVXTSBBZESON-NHCUHLMSSA-N 2 1 414.594 3.581 20 0 HHADMP C[C@H](NC(=O)NCCC[N@@H+](C)Cc1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000483974565 996500860 /nfs/dbraw/zinc/50/08/60/996500860.db2.gz MFPNBIDRGNQKME-XUZZJYLKSA-N 2 1 408.590 3.718 20 0 HHADMP C[C@H](NC(=O)NCCC[NH+](C)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000483974565 996500865 /nfs/dbraw/zinc/50/08/65/996500865.db2.gz MFPNBIDRGNQKME-XUZZJYLKSA-N 2 1 408.590 3.718 20 0 HHADMP C[C@H](NC(=O)NCCC[NH+](C)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000483974565 996500870 /nfs/dbraw/zinc/50/08/70/996500870.db2.gz MFPNBIDRGNQKME-XUZZJYLKSA-N 2 1 408.590 3.718 20 0 HHADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000476042334 996562414 /nfs/dbraw/zinc/56/24/14/996562414.db2.gz OIRCBAMREWSJFT-KRWDZBQOSA-N 2 1 420.561 3.616 20 0 HHADMP CN(C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000476137856 996627377 /nfs/dbraw/zinc/62/73/77/996627377.db2.gz GHNDEHLMDWXOIS-HXUWFJFHSA-N 2 1 424.511 3.548 20 0 HHADMP CN(C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000476137856 996627381 /nfs/dbraw/zinc/62/73/81/996627381.db2.gz GHNDEHLMDWXOIS-HXUWFJFHSA-N 2 1 424.511 3.548 20 0 HHADMP Oc1cccc2c1CCC[C@H]2[NH2+]CC1(C[NH2+][C@@H]2CCCc3c(O)cccc32)COC1 ZINC000484300824 996688883 /nfs/dbraw/zinc/68/88/83/996688883.db2.gz SRMBBIMWQMCVIP-FGZHOGPDSA-N 2 1 408.542 3.749 20 0 HHADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1S(C)(=O)=O ZINC000484476031 996796177 /nfs/dbraw/zinc/79/61/77/996796177.db2.gz UPXWRYQOEMAMNH-LQWHRVPQSA-N 2 1 416.587 3.660 20 0 HHADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1S(C)(=O)=O ZINC000484476031 996796182 /nfs/dbraw/zinc/79/61/82/996796182.db2.gz UPXWRYQOEMAMNH-LQWHRVPQSA-N 2 1 416.587 3.660 20 0 HHADMP COc1cc(CN2CC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)C2)cc(OC)c1 ZINC000484617506 996950840 /nfs/dbraw/zinc/95/08/40/996950840.db2.gz IKPNTVYBIWGUQI-CHZKFRDHSA-N 2 1 423.601 3.778 20 0 HHADMP COc1cc(CN2CC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)C2)cc(OC)c1 ZINC000484617506 996950850 /nfs/dbraw/zinc/95/08/50/996950850.db2.gz IKPNTVYBIWGUQI-CHZKFRDHSA-N 2 1 423.601 3.778 20 0 HHADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000476542225 997033735 /nfs/dbraw/zinc/03/37/35/997033735.db2.gz HHUPYZRAMZLBBZ-UHFFFAOYSA-N 2 1 420.561 3.749 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](C[NH+](C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000484713082 997053072 /nfs/dbraw/zinc/05/30/72/997053072.db2.gz WUTKRIYSZZJWSU-XPGWFJOJSA-N 2 1 410.965 3.596 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@H](C[NH+](C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000484713082 997053082 /nfs/dbraw/zinc/05/30/82/997053082.db2.gz WUTKRIYSZZJWSU-XPGWFJOJSA-N 2 1 410.965 3.596 20 0 HHADMP C[C@H]1[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000476871369 997447767 /nfs/dbraw/zinc/44/77/67/997447767.db2.gz DDGXYIOIMSQKNG-GBXCKJPGSA-N 2 1 406.574 3.745 20 0 HHADMP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccco1 ZINC000485234436 997613065 /nfs/dbraw/zinc/61/30/65/997613065.db2.gz VAKLIIBUZNLDSN-BEFAXECRSA-N 2 1 413.497 3.841 20 0 HHADMP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000477011411 997644573 /nfs/dbraw/zinc/64/45/73/997644573.db2.gz YFNINTOIJUYDQH-RXVVDRJESA-N 2 1 403.929 3.964 20 0 HHADMP C(CC[NH+]1CC[C@@H](C[NH+]2CCCCC2)C1)CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000477049803 997689677 /nfs/dbraw/zinc/68/96/77/997689677.db2.gz KLLQVRRDBIDAFP-DQEYMECFSA-N 4 1 404.687 3.772 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cc2)C1 ZINC000485292020 997693967 /nfs/dbraw/zinc/69/39/67/997693967.db2.gz RQJQZFOYMGOVMN-WNXIRNOKSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cc2)C1 ZINC000485292020 997693968 /nfs/dbraw/zinc/69/39/68/997693968.db2.gz RQJQZFOYMGOVMN-WNXIRNOKSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cc2)C1 ZINC000485292020 997693976 /nfs/dbraw/zinc/69/39/76/997693976.db2.gz RQJQZFOYMGOVMN-WNXIRNOKSA-N 2 1 412.622 3.790 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1F ZINC000485314806 997725147 /nfs/dbraw/zinc/72/51/47/997725147.db2.gz GEWYDIYSEXLKRN-HXUWFJFHSA-N 2 1 413.472 3.561 20 0 HHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000485391834 997820165 /nfs/dbraw/zinc/82/01/65/997820165.db2.gz YOGFIETULQMXOJ-IBGZPJMESA-N 2 1 407.002 3.535 20 0 HHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)C1 ZINC000485395650 997823815 /nfs/dbraw/zinc/82/38/15/997823815.db2.gz GLSCRBZWBAWCDA-JTAQYXEDSA-N 2 1 400.611 3.648 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000477377466 998065092 /nfs/dbraw/zinc/06/50/92/998065092.db2.gz GZZURWNSSVKMJC-GMAHTHKFSA-N 2 1 400.611 3.660 20 0 HHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000486180870 998624568 /nfs/dbraw/zinc/62/45/68/998624568.db2.gz TYUGTNUMRYDRMD-MAUKXSAKSA-N 2 1 405.493 3.835 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000486311256 998706901 /nfs/dbraw/zinc/70/69/01/998706901.db2.gz MXZYMPPCRPZNTH-FCHUYYIVSA-N 2 1 422.564 3.908 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000486311256 998706907 /nfs/dbraw/zinc/70/69/07/998706907.db2.gz MXZYMPPCRPZNTH-FCHUYYIVSA-N 2 1 422.564 3.908 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000478032547 998724734 /nfs/dbraw/zinc/72/47/34/998724734.db2.gz XPUFPHMZULHLTD-DEOSSOPVSA-N 2 1 421.589 3.508 20 0 HHADMP C[C@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486472022 998784752 /nfs/dbraw/zinc/78/47/52/998784752.db2.gz AWUBACZJTXLBEW-NZQKXSOJSA-N 2 1 412.622 3.851 20 0 HHADMP C[C@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487061356 999051022 /nfs/dbraw/zinc/05/10/22/999051022.db2.gz DAZBASDFJPKKLT-GHTZIAJQSA-N 2 1 412.553 3.597 20 0 HHADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000478976219 999230963 /nfs/dbraw/zinc/23/09/63/999230963.db2.gz NJJAUBLJPXLRHL-IBGZPJMESA-N 2 1 404.352 3.607 20 0 HHADMP CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N[C@@H]3CCC[C@@H]([NH+](C)C)C3)c2c1C ZINC000487651577 999242379 /nfs/dbraw/zinc/24/23/79/999242379.db2.gz YZCUUNBNFIBLEY-HUUCEWRRSA-N 2 1 419.595 3.523 20 0 HHADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479074098 999281314 /nfs/dbraw/zinc/28/13/14/999281314.db2.gz YYGDKPWSGLUHPI-HXUWFJFHSA-N 2 1 412.391 3.903 20 0 HHADMP C[C@@H](NC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488009649 999346825 /nfs/dbraw/zinc/34/68/25/999346825.db2.gz URLSBTFVSTVFCE-WIYYLYMNSA-N 2 1 412.553 3.597 20 0 HHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479331530 999389145 /nfs/dbraw/zinc/38/91/45/999389145.db2.gz RBPBMNUOOWPIQX-ZIAGYGMSSA-N 2 1 422.422 3.946 20 0 HHADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)CCC(F)(F)F ZINC000488340414 999448218 /nfs/dbraw/zinc/44/82/18/999448218.db2.gz QLVWJQKFVQSXND-COXVUDFISA-N 2 1 405.892 3.579 20 0 HHADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)CCC(F)(F)F ZINC000488340414 999448222 /nfs/dbraw/zinc/44/82/22/999448222.db2.gz QLVWJQKFVQSXND-COXVUDFISA-N 2 1 405.892 3.579 20 0 HHADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000488340414 999448227 /nfs/dbraw/zinc/44/82/27/999448227.db2.gz QLVWJQKFVQSXND-COXVUDFISA-N 2 1 405.892 3.579 20 0 HHADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000488340414 999448230 /nfs/dbraw/zinc/44/82/30/999448230.db2.gz QLVWJQKFVQSXND-COXVUDFISA-N 2 1 405.892 3.579 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000488478907 999501341 /nfs/dbraw/zinc/50/13/41/999501341.db2.gz NNVZXSAZVSDLPC-YADARESESA-N 2 1 400.526 3.888 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000488478902 999501518 /nfs/dbraw/zinc/50/15/18/999501518.db2.gz NNVZXSAZVSDLPC-DVECYGJZSA-N 2 1 400.526 3.888 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000488506566 999511584 /nfs/dbraw/zinc/51/15/84/999511584.db2.gz ZJVHZMYRNNVDKJ-SQJMNOBHSA-N 2 1 405.586 3.925 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000488529158 999518920 /nfs/dbraw/zinc/51/89/20/999518920.db2.gz HDDONTKHQQSQIA-MDNUFGMLSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000488529158 999518923 /nfs/dbraw/zinc/51/89/23/999518923.db2.gz HDDONTKHQQSQIA-MDNUFGMLSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000488529158 999518925 /nfs/dbraw/zinc/51/89/25/999518925.db2.gz HDDONTKHQQSQIA-MDNUFGMLSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)CC[NH+]1CCC(CNC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000488545783 999523440 /nfs/dbraw/zinc/52/34/40/999523440.db2.gz JTCHPCJADAPCJY-QPPBQGQZSA-N 2 1 414.638 3.954 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(OCc2nccn2C)cc1 ZINC000479886360 999636538 /nfs/dbraw/zinc/63/65/38/999636538.db2.gz GUICKYJMOTXQLS-HXUWFJFHSA-N 2 1 420.557 3.682 20 0 HHADMP Cc1ccc2nc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CCN(C)CC3)ccc2c1 ZINC000489127503 999707067 /nfs/dbraw/zinc/70/70/67/999707067.db2.gz KWOSIOYHNADJGN-DNQXCXABSA-N 2 1 408.590 3.952 20 0 HHADMP Cc1ccc2nc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CCN(C)CC3)ccc2c1 ZINC000489127506 999707103 /nfs/dbraw/zinc/70/71/03/999707103.db2.gz KWOSIOYHNADJGN-RPWUZVMVSA-N 2 1 408.590 3.952 20 0 HHADMP COc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)N2CCOCC2)cc1 ZINC000480075196 999710288 /nfs/dbraw/zinc/71/02/88/999710288.db2.gz ZQXPIMOTGGFBKN-MZBJOSPHSA-N 2 1 423.601 3.569 20 0 HHADMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000480134730 999726669 /nfs/dbraw/zinc/72/66/69/999726669.db2.gz GXUHBBRJLCNCHZ-IBGZPJMESA-N 2 1 419.591 3.531 20 0 HHADMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000480137708 999727702 /nfs/dbraw/zinc/72/77/02/999727702.db2.gz LQJLKMORIAXBLR-FQEVSTJZSA-N 2 1 407.624 3.634 20 0 HHADMP C[C@@H]1CN(C(=O)NC[C@H]2CCC[NH+](C)[C@H]2c2cccs2)CC[N@H+](C2CCC2)C1 ZINC000489403566 999759982 /nfs/dbraw/zinc/75/99/82/999759982.db2.gz ODRMWYCEYCAZCT-WAOWUJCRSA-N 2 1 404.624 3.647 20 0 HHADMP C[C@@H]1CN(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC[NH+](C2CCC2)C1 ZINC000489403566 999759984 /nfs/dbraw/zinc/75/99/84/999759984.db2.gz ODRMWYCEYCAZCT-WAOWUJCRSA-N 2 1 404.624 3.647 20 0 HHADMP C[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC[NH+](C2CCC2)C1 ZINC000489403566 999759985 /nfs/dbraw/zinc/75/99/85/999759985.db2.gz ODRMWYCEYCAZCT-WAOWUJCRSA-N 2 1 404.624 3.647 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000489529436 999785331 /nfs/dbraw/zinc/78/53/31/999785331.db2.gz BMKPEPCGKBIKJW-FGCOXFRFSA-N 2 1 406.574 3.595 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000489529436 999785333 /nfs/dbraw/zinc/78/53/33/999785333.db2.gz BMKPEPCGKBIKJW-FGCOXFRFSA-N 2 1 406.574 3.595 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000489529436 999785335 /nfs/dbraw/zinc/78/53/35/999785335.db2.gz BMKPEPCGKBIKJW-FGCOXFRFSA-N 2 1 406.574 3.595 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000489529436 999785337 /nfs/dbraw/zinc/78/53/37/999785337.db2.gz BMKPEPCGKBIKJW-FGCOXFRFSA-N 2 1 406.574 3.595 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000489530367 999785514 /nfs/dbraw/zinc/78/55/14/999785514.db2.gz LZGABVWSEMATAQ-XXBNENTESA-N 2 1 410.562 3.659 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)[nH+]1 ZINC000489535815 999786925 /nfs/dbraw/zinc/78/69/25/999786925.db2.gz WWOBIAQERKCFEG-AUSIDOKSSA-N 2 1 421.589 3.569 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)CC2)[nH+]1 ZINC000489535815 999786929 /nfs/dbraw/zinc/78/69/29/999786929.db2.gz WWOBIAQERKCFEG-AUSIDOKSSA-N 2 1 421.589 3.569 20 0 HHADMP C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000489616792 999803660 /nfs/dbraw/zinc/80/36/60/999803660.db2.gz ARDKUXQWLKECMB-DPLHUUCSSA-N 2 1 408.590 3.717 20 0 HHADMP C[C@@H](CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000489616792 999803662 /nfs/dbraw/zinc/80/36/62/999803662.db2.gz ARDKUXQWLKECMB-DPLHUUCSSA-N 2 1 408.590 3.717 20 0 HHADMP C[C@@H](CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000489616792 999803664 /nfs/dbraw/zinc/80/36/64/999803664.db2.gz ARDKUXQWLKECMB-DPLHUUCSSA-N 2 1 408.590 3.717 20 0 HHADMP Cn1nc(C(C)(C)C)cc1NC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489631223 999806245 /nfs/dbraw/zinc/80/62/45/999806245.db2.gz CQTYYTNCXZKCIE-UHFFFAOYSA-N 2 1 411.594 3.500 20 0 HHADMP Cn1nc(C(C)(C)C)cc1NC(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489631223 999806246 /nfs/dbraw/zinc/80/62/46/999806246.db2.gz CQTYYTNCXZKCIE-UHFFFAOYSA-N 2 1 411.594 3.500 20 0 HHADMP Cc1cccc(OCCNC(=O)[C@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000489630875 999806258 /nfs/dbraw/zinc/80/62/58/999806258.db2.gz BOQVOWFHFFYIJG-QFIPXVFZSA-N 2 1 423.601 3.723 20 0 HHADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C[C@@H](C)C1 ZINC000489730565 999826610 /nfs/dbraw/zinc/82/66/10/999826610.db2.gz XRDJWZMUHRBGPF-SQPSSPNNSA-N 2 1 412.622 3.515 20 0 HHADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H](C)C1 ZINC000489730565 999826612 /nfs/dbraw/zinc/82/66/12/999826612.db2.gz XRDJWZMUHRBGPF-SQPSSPNNSA-N 2 1 412.622 3.515 20 0 HHADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H](C)C1 ZINC000489730565 999826614 /nfs/dbraw/zinc/82/66/14/999826614.db2.gz XRDJWZMUHRBGPF-SQPSSPNNSA-N 2 1 412.622 3.515 20 0 HHADMP C[C@H]1C[C@H](CCNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000489748313 999830141 /nfs/dbraw/zinc/83/01/41/999830141.db2.gz SVCRWWTZCMULTF-FUDKSRODSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@H]1C[C@H](CCNC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000489748313 999830145 /nfs/dbraw/zinc/83/01/45/999830145.db2.gz SVCRWWTZCMULTF-FUDKSRODSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@H]1C[C@H](CCNC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000489748313 999830151 /nfs/dbraw/zinc/83/01/51/999830151.db2.gz SVCRWWTZCMULTF-FUDKSRODSA-N 2 1 412.622 3.803 20 0 HHADMP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000480602975 999838117 /nfs/dbraw/zinc/83/81/17/999838117.db2.gz QVTVGOFFACSMMH-RBUKOAKNSA-N 2 1 415.603 3.820 20 0 HHADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000480613991 999841769 /nfs/dbraw/zinc/84/17/69/999841769.db2.gz UYZIDMHKDPELRM-MOPGFXCFSA-N 2 1 415.603 3.677 20 0 HHADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000480613991 999841771 /nfs/dbraw/zinc/84/17/71/999841771.db2.gz UYZIDMHKDPELRM-MOPGFXCFSA-N 2 1 415.603 3.677 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000489808156 999842130 /nfs/dbraw/zinc/84/21/30/999842130.db2.gz BBQNSBJANRTTGY-CVDCTZTESA-N 2 1 412.578 3.572 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000489844419 999848278 /nfs/dbraw/zinc/84/82/78/999848278.db2.gz XMVIAPBHFLZBSQ-YKSBVNFPSA-N 2 1 424.589 3.796 20 0 HHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480708793 999864716 /nfs/dbraw/zinc/86/47/16/999864716.db2.gz WLDFRTMIAYKAMD-GVUKDKGQSA-N 2 1 407.602 3.603 20 0 HHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccncc2OC[C@H]2CCOC2)C3)cc1 ZINC000490328379 999937630 /nfs/dbraw/zinc/93/76/30/999937630.db2.gz QVCRYUVXGFYPKC-XGAJZPNHSA-N 2 1 407.558 3.782 20 0 HHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccncc2OC[C@H]2CCOC2)C3)cc1 ZINC000490328379 999937632 /nfs/dbraw/zinc/93/76/32/999937632.db2.gz QVCRYUVXGFYPKC-XGAJZPNHSA-N 2 1 407.558 3.782 20 0 HHADMP Brc1cnn(CCC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000490354380 999943252 /nfs/dbraw/zinc/94/32/52/999943252.db2.gz LJHFCWVKOPBLOR-HMXCVIKNSA-N 2 1 417.395 3.926 20 0 HHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000490365160 999945217 /nfs/dbraw/zinc/94/52/17/999945217.db2.gz JMOOYCBNYSDWDJ-KRWDZBQOSA-N 2 1 406.368 3.930 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(-c2ccco2)cc1F ZINC000490479135 999964173 /nfs/dbraw/zinc/96/41/73/999964173.db2.gz JRVVSMKFOOGKRS-SFHVURJKSA-N 2 1 402.514 3.966 20 0 HHADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000490911372 1000022374 /nfs/dbraw/zinc/02/23/74/1000022374.db2.gz NBSXFMGKSGRQLH-OTWHNJEPSA-N 2 1 404.624 3.723 20 0 HHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000490911372 1000022375 /nfs/dbraw/zinc/02/23/75/1000022375.db2.gz NBSXFMGKSGRQLH-OTWHNJEPSA-N 2 1 404.624 3.723 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000490959580 1000027811 /nfs/dbraw/zinc/02/78/11/1000027811.db2.gz FXHXZSLPVWLPCM-UHFFFAOYSA-N 2 1 404.624 3.821 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490991947 1000031231 /nfs/dbraw/zinc/03/12/31/1000031231.db2.gz YZYYXNADPVXONB-CPJSRVTESA-N 2 1 411.565 3.863 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490991947 1000031233 /nfs/dbraw/zinc/03/12/33/1000031233.db2.gz YZYYXNADPVXONB-CPJSRVTESA-N 2 1 411.565 3.863 20 0 HHADMP C[C@H]1C[N@@H+](CCCCOc2ccccc2C(F)(F)F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000491000200 1000032311 /nfs/dbraw/zinc/03/23/11/1000032311.db2.gz ZNPCSTRDFBTRSB-ICSRJNTNSA-N 2 1 413.528 3.822 20 0 HHADMP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000491022510 1000034942 /nfs/dbraw/zinc/03/49/42/1000034942.db2.gz SBIFCMCKTRCRLD-VGSWGCGISA-N 2 1 413.997 3.563 20 0 HHADMP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000491022510 1000034943 /nfs/dbraw/zinc/03/49/43/1000034943.db2.gz SBIFCMCKTRCRLD-VGSWGCGISA-N 2 1 413.997 3.563 20 0 HHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000491029429 1000036284 /nfs/dbraw/zinc/03/62/84/1000036284.db2.gz IWBWIELVNIGFCL-AOMKIAJQSA-N 2 1 415.534 3.749 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)COCc2ccccc2F)CC1 ZINC000491076583 1000042845 /nfs/dbraw/zinc/04/28/45/1000042845.db2.gz PEJDFOQQPMIBLA-QHCPKHFHSA-N 2 1 400.538 3.547 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@H+]1Cc1ccccc1 ZINC000491259890 1000059617 /nfs/dbraw/zinc/05/96/17/1000059617.db2.gz RWGWPWZMMPKXQO-DENIHFKCSA-N 2 1 424.593 3.667 20 0 HHADMP C[C@H]1C[C@H](N(C)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@H+]1Cc1ccccc1 ZINC000491259898 1000059836 /nfs/dbraw/zinc/05/98/36/1000059836.db2.gz RWGWPWZMMPKXQO-SIKLNZKXSA-N 2 1 424.593 3.667 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)cc2)C1 ZINC000491432139 1000074502 /nfs/dbraw/zinc/07/45/02/1000074502.db2.gz MUNWNEFVNFAZMG-IBGZPJMESA-N 2 1 424.593 3.703 20 0 HHADMP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000492426258 1000126612 /nfs/dbraw/zinc/12/66/12/1000126612.db2.gz UZDOIIVCVZGAHK-ZODMCCGTSA-N 2 1 420.601 3.513 20 0 HHADMP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000492426258 1000126617 /nfs/dbraw/zinc/12/66/17/1000126617.db2.gz UZDOIIVCVZGAHK-ZODMCCGTSA-N 2 1 420.601 3.513 20 0 HHADMP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000492426258 1000126619 /nfs/dbraw/zinc/12/66/19/1000126619.db2.gz UZDOIIVCVZGAHK-ZODMCCGTSA-N 2 1 420.601 3.513 20 0 HHADMP CCc1ccc([C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)[NH+](C)C)cc1 ZINC000493044644 1000155303 /nfs/dbraw/zinc/15/53/03/1000155303.db2.gz AAZCEWPBHDPPTR-IBGZPJMESA-N 2 1 413.472 3.800 20 0 HHADMP C[N@H+]1CCCC[C@H]1CCC(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000493965189 1000241011 /nfs/dbraw/zinc/24/10/11/1000241011.db2.gz NANVKCAYROJFII-NRFANRHFSA-N 2 1 400.567 3.704 20 0 HHADMP C[C@@H]1[C@H](NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000494025765 1000273238 /nfs/dbraw/zinc/27/32/38/1000273238.db2.gz DWYPZVZQGZWDIQ-QTDDQOEGSA-N 2 1 421.585 3.689 20 0 HHADMP C[C@@H]1[C@H](NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000494025765 1000273242 /nfs/dbraw/zinc/27/32/42/1000273242.db2.gz DWYPZVZQGZWDIQ-QTDDQOEGSA-N 2 1 421.585 3.689 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccccc1 ZINC000504615964 1000293946 /nfs/dbraw/zinc/29/39/46/1000293946.db2.gz WLZHGSKVECHDFA-SFTDATJTSA-N 2 1 401.501 3.563 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000504988737 1000491468 /nfs/dbraw/zinc/49/14/68/1000491468.db2.gz OQEJYYQWACTUJV-GHTZIAJQSA-N 2 1 414.619 3.877 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000504988737 1000491470 /nfs/dbraw/zinc/49/14/70/1000491470.db2.gz OQEJYYQWACTUJV-GHTZIAJQSA-N 2 1 414.619 3.877 20 0 HHADMP Cc1[nH+]ccn1C[C@@H]1CCCN1CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000494911259 1000725454 /nfs/dbraw/zinc/72/54/54/1000725454.db2.gz QNFCVEJUODGUFW-ZDUSSCGKSA-N 2 1 400.832 3.967 20 0 HHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000494926771 1000733476 /nfs/dbraw/zinc/73/34/76/1000733476.db2.gz ZIQHXYHZXGHTQZ-ZCNNSNEGSA-N 2 1 409.574 3.848 20 0 HHADMP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000505686795 1000975882 /nfs/dbraw/zinc/97/58/82/1000975882.db2.gz WAYHMCTVNWXDQG-ZEQRLZLVSA-N 2 1 406.574 3.841 20 0 HHADMP COc1cc([C@H](C)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1S(C)(=O)=O ZINC000495441029 1001013325 /nfs/dbraw/zinc/01/33/25/1001013325.db2.gz ZSQKYHWRLRKPTQ-BBTUJRGHSA-N 2 1 416.587 3.660 20 0 HHADMP COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1S(C)(=O)=O ZINC000495441029 1001013339 /nfs/dbraw/zinc/01/33/39/1001013339.db2.gz ZSQKYHWRLRKPTQ-BBTUJRGHSA-N 2 1 416.587 3.660 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(Cl)ccc1Br ZINC000505800703 1001033168 /nfs/dbraw/zinc/03/31/68/1001033168.db2.gz DMULFTMXRWAJDX-HNNXBMFYSA-N 2 1 416.791 3.591 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccc(F)c(Cl)c1 ZINC000495577824 1001047955 /nfs/dbraw/zinc/04/79/55/1001047955.db2.gz PWLULUBHTJXAPD-MRXNPFEDSA-N 2 1 419.928 3.991 20 0 HHADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000506008726 1001158827 /nfs/dbraw/zinc/15/88/27/1001158827.db2.gz FHROTFPOPYGAMT-NRFANRHFSA-N 2 1 401.501 3.522 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000497318904 1001290581 /nfs/dbraw/zinc/29/05/81/1001290581.db2.gz LSSUCFIVOOYARW-LJQANCHMSA-N 2 1 420.557 3.526 20 0 HHADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000497452086 1001372822 /nfs/dbraw/zinc/37/28/22/1001372822.db2.gz SJERDWSTTRTIBI-RBBKRZOGSA-N 2 1 413.606 3.579 20 0 HHADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000497452086 1001372827 /nfs/dbraw/zinc/37/28/27/1001372827.db2.gz SJERDWSTTRTIBI-RBBKRZOGSA-N 2 1 413.606 3.579 20 0 HHADMP COc1ccc(CCC[N@@H+](C)[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000497458535 1001377198 /nfs/dbraw/zinc/37/71/98/1001377198.db2.gz DFXYPKAFENHUBV-OAQYLSRUSA-N 2 1 423.601 3.729 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](CCc2cccc(F)c2)C2CC2)CC1 ZINC000506470392 1001426854 /nfs/dbraw/zinc/42/68/54/1001426854.db2.gz MATHPAGANGGVEV-UHFFFAOYSA-N 2 1 423.576 3.922 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000497566401 1001438724 /nfs/dbraw/zinc/43/87/24/1001438724.db2.gz RSYSWMSPRIAVQR-HYBUGGRVSA-N 2 1 412.622 3.993 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N[C@@H](C)[C@@H](c3ccccc3C)[NH+](C)C)CC2)[nH+]1 ZINC000497567779 1001439262 /nfs/dbraw/zinc/43/92/62/1001439262.db2.gz MCUQCHKXNXPRPQ-CVDCTZTESA-N 2 1 409.578 3.658 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCC1(F)F ZINC000506511230 1001445969 /nfs/dbraw/zinc/44/59/69/1001445969.db2.gz OKPMWSSVXHDMJE-PZJWPPBQSA-N 2 1 407.549 3.915 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000506511230 1001445974 /nfs/dbraw/zinc/44/59/74/1001445974.db2.gz OKPMWSSVXHDMJE-PZJWPPBQSA-N 2 1 407.549 3.915 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000506511230 1001445978 /nfs/dbraw/zinc/44/59/78/1001445978.db2.gz OKPMWSSVXHDMJE-PZJWPPBQSA-N 2 1 407.549 3.915 20 0 HHADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000497615488 1001459689 /nfs/dbraw/zinc/45/96/89/1001459689.db2.gz PPHQYAUVPFXOBC-OAQYLSRUSA-N 2 1 401.570 3.809 20 0 HHADMP CS[C@H]1CN(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C[C@@H]1[NH+](C)C ZINC000497651735 1001473065 /nfs/dbraw/zinc/47/30/65/1001473065.db2.gz LYHPUQJJXAWZSK-OALUTQOASA-N 2 1 401.580 3.564 20 0 HHADMP C[C@@H](Cc1ccc(O)cc1)[NH+](C)CC1(C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)COC1 ZINC000497845354 1001534577 /nfs/dbraw/zinc/53/45/77/1001534577.db2.gz NNFJWDNHIONYAN-PMACEKPBSA-N 2 1 412.574 3.540 20 0 HHADMP C[N@H+]1CCCN(CCC[NH2+][C@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000497852007 1001537125 /nfs/dbraw/zinc/53/71/25/1001537125.db2.gz HGOLNRFBBMYGHB-FQEVSTJZSA-N 2 1 406.368 3.749 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000498121026 1001650075 /nfs/dbraw/zinc/65/00/75/1001650075.db2.gz LPOHJCXFGDQCNV-LEWJYISDSA-N 2 1 408.537 3.664 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000498121026 1001650076 /nfs/dbraw/zinc/65/00/76/1001650076.db2.gz LPOHJCXFGDQCNV-LEWJYISDSA-N 2 1 408.537 3.664 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)c1ccccc1Cl ZINC000498136174 1001657493 /nfs/dbraw/zinc/65/74/93/1001657493.db2.gz JZBOVPUTWAPZTD-JRGCBEDISA-N 2 1 407.002 3.849 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000498158216 1001667617 /nfs/dbraw/zinc/66/76/17/1001667617.db2.gz YEIVMKJIDIWWKC-JDBUVZGPSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000498158216 1001667620 /nfs/dbraw/zinc/66/76/20/1001667620.db2.gz YEIVMKJIDIWWKC-JDBUVZGPSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000498158216 1001667624 /nfs/dbraw/zinc/66/76/24/1001667624.db2.gz YEIVMKJIDIWWKC-JDBUVZGPSA-N 2 1 412.622 3.790 20 0 HHADMP CCC1(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC[NH+](Cc2ccccc2)CC1 ZINC000498276143 1001749884 /nfs/dbraw/zinc/74/98/84/1001749884.db2.gz NAPKLCJORBQCAU-GOTSBHOMSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@H](C[NH2+][C@H](c1ccco1)c1ccc(Br)cc1)CN1CC[NH+](C)CC1 ZINC000498456089 1001884164 /nfs/dbraw/zinc/88/41/64/1001884164.db2.gz ZYJUOAQUFUVIAQ-UZLBHIALSA-N 2 1 406.368 3.605 20 0 HHADMP CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(N3CC[NH+](CC)CC3)c(F)c2)CC1 ZINC000498511319 1001934188 /nfs/dbraw/zinc/93/41/88/1001934188.db2.gz OZHJNBMSNIYAFZ-UHFFFAOYSA-N 2 1 418.601 3.552 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(N3CC[NH+](CC)CC3)c(F)c2)CC1 ZINC000498511319 1001934211 /nfs/dbraw/zinc/93/42/11/1001934211.db2.gz OZHJNBMSNIYAFZ-UHFFFAOYSA-N 2 1 418.601 3.552 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498664942 1002058571 /nfs/dbraw/zinc/05/85/71/1002058571.db2.gz BVERDWRQLIUVCH-MVWVFHAYSA-N 2 1 420.548 3.614 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498664942 1002058582 /nfs/dbraw/zinc/05/85/82/1002058582.db2.gz BVERDWRQLIUVCH-MVWVFHAYSA-N 2 1 420.548 3.614 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498664942 1002058597 /nfs/dbraw/zinc/05/85/97/1002058597.db2.gz BVERDWRQLIUVCH-MVWVFHAYSA-N 2 1 420.548 3.614 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498664942 1002058611 /nfs/dbraw/zinc/05/86/11/1002058611.db2.gz BVERDWRQLIUVCH-MVWVFHAYSA-N 2 1 420.548 3.614 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000498687378 1002074537 /nfs/dbraw/zinc/07/45/37/1002074537.db2.gz ATEGVHJRTRWUHK-REWPJTCUSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498707571 1002091054 /nfs/dbraw/zinc/09/10/54/1002091054.db2.gz UOMXDJYAWMBEQM-NFBKMPQASA-N 2 1 400.611 3.660 20 0 HHADMP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)nc2)CC1 ZINC000507510145 1002120298 /nfs/dbraw/zinc/12/02/98/1002120298.db2.gz MFAJLEHCUPPQCO-IEZKXTBUSA-N 2 1 419.617 3.935 20 0 HHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](O)CO[C@H]3CCCc4ccccc43)C2)CC1 ZINC000498833691 1002219763 /nfs/dbraw/zinc/21/97/63/1002219763.db2.gz MDHRIMQITWRXLA-PWWKTKHKSA-N 2 1 400.607 3.885 20 0 HHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](O)CO[C@H]3CCCc4ccccc43)C2)CC1 ZINC000498833691 1002219774 /nfs/dbraw/zinc/21/97/74/1002219774.db2.gz MDHRIMQITWRXLA-PWWKTKHKSA-N 2 1 400.607 3.885 20 0 HHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](Cc2cccc(O)c2)CC2CC2)CC1 ZINC000498893830 1002283134 /nfs/dbraw/zinc/28/31/34/1002283134.db2.gz KGARQZWUKGGMIA-UHFFFAOYSA-N 2 1 421.585 3.647 20 0 HHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](Cc2cccc(O)c2)CC2CC2)CC1 ZINC000498893830 1002283147 /nfs/dbraw/zinc/28/31/47/1002283147.db2.gz KGARQZWUKGGMIA-UHFFFAOYSA-N 2 1 421.585 3.647 20 0 HHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](Cc2cccc(O)c2)CC2CC2)CC1 ZINC000498893830 1002283160 /nfs/dbraw/zinc/28/31/60/1002283160.db2.gz KGARQZWUKGGMIA-UHFFFAOYSA-N 2 1 421.585 3.647 20 0 HHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](Cc2cccc(O)c2)CC2CC2)CC1 ZINC000498893830 1002283171 /nfs/dbraw/zinc/28/31/71/1002283171.db2.gz KGARQZWUKGGMIA-UHFFFAOYSA-N 2 1 421.585 3.647 20 0 HHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000499114496 1002504202 /nfs/dbraw/zinc/50/42/02/1002504202.db2.gz XVFJKMLFMYZYNP-XMGTWHOFSA-N 2 1 412.578 3.919 20 0 HHADMP C[C@@H]1CN(c2ccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cn2)C[C@@H](C)O1 ZINC000499138315 1002523123 /nfs/dbraw/zinc/52/31/23/1002523123.db2.gz DNEKXTNSPGJANG-YFUZDLCXSA-N 2 1 420.601 3.980 20 0 HHADMP C[C@@H]1CN(c2ccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cn2)C[C@@H](C)O1 ZINC000499138315 1002523133 /nfs/dbraw/zinc/52/31/33/1002523133.db2.gz DNEKXTNSPGJANG-YFUZDLCXSA-N 2 1 420.601 3.980 20 0 HHADMP CCn1c2ccccc2c2cc(C[NH2+]CCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)ccc21 ZINC000508087567 1002610262 /nfs/dbraw/zinc/61/02/62/1002610262.db2.gz LUIKBKCFCFZJHL-DEOSSOPVSA-N 2 1 406.574 3.847 20 0 HHADMP CCn1c2ccccc2c2cc(C[NH2+]CCC[N@H+]3CCC[C@H]3C(=O)N(C)C)ccc21 ZINC000508087567 1002610272 /nfs/dbraw/zinc/61/02/72/1002610272.db2.gz LUIKBKCFCFZJHL-DEOSSOPVSA-N 2 1 406.574 3.847 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000499311776 1002718677 /nfs/dbraw/zinc/71/86/77/1002718677.db2.gz JJQWMAYKUIRLDF-AOMKIAJQSA-N 2 1 409.509 3.983 20 0 HHADMP C[C@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508690308 1003127528 /nfs/dbraw/zinc/12/75/28/1003127528.db2.gz JNIFAZFASUOBDH-GBXCKJPGSA-N 2 1 420.601 3.706 20 0 HHADMP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC000508693536 1003132119 /nfs/dbraw/zinc/13/21/19/1003132119.db2.gz CYAQCZZDIGLNNW-LSQMVHIFSA-N 2 1 406.618 3.697 20 0 HHADMP C[C@H](NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508849357 1003270404 /nfs/dbraw/zinc/27/04/04/1003270404.db2.gz BMWXPMJUUJYWOU-SSPYTLHUSA-N 2 1 408.590 3.841 20 0 HHADMP C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508904440 1003341688 /nfs/dbraw/zinc/34/16/88/1003341688.db2.gz ZOSWILATTAAMPE-AUSIDOKSSA-N 2 1 412.553 3.734 20 0 HHADMP C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508904440 1003341697 /nfs/dbraw/zinc/34/16/97/1003341697.db2.gz ZOSWILATTAAMPE-AUSIDOKSSA-N 2 1 412.553 3.734 20 0 HHADMP C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508904444 1003341830 /nfs/dbraw/zinc/34/18/30/1003341830.db2.gz ZOSWILATTAAMPE-WMZHIEFXSA-N 2 1 412.553 3.734 20 0 HHADMP C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508904444 1003341837 /nfs/dbraw/zinc/34/18/37/1003341837.db2.gz ZOSWILATTAAMPE-WMZHIEFXSA-N 2 1 412.553 3.734 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000508905477 1003343752 /nfs/dbraw/zinc/34/37/52/1003343752.db2.gz LEYYUIVXCMLXKI-ZTCOLXNVSA-N 2 1 423.605 3.769 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000500109755 1003472450 /nfs/dbraw/zinc/47/24/50/1003472450.db2.gz IWIFLAGTAMZMHY-NMMYMHLASA-N 2 1 421.589 3.569 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C1 ZINC000500137294 1003497500 /nfs/dbraw/zinc/49/75/00/1003497500.db2.gz APELLRRKFKZSSU-OFNKIYASSA-N 2 1 418.626 3.744 20 0 HHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000509030058 1003500831 /nfs/dbraw/zinc/50/08/31/1003500831.db2.gz HHDAYWVVWWSMQI-NQIIRXRSSA-N 2 1 407.002 3.850 20 0 HHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccc(Cl)cc1 ZINC000509032977 1003503599 /nfs/dbraw/zinc/50/35/99/1003503599.db2.gz PTGJYGWCJAFXDA-JKWVGCSGSA-N 2 1 407.002 3.990 20 0 HHADMP CCC[NH+](C)[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000509032977 1003503615 /nfs/dbraw/zinc/50/36/15/1003503615.db2.gz PTGJYGWCJAFXDA-JKWVGCSGSA-N 2 1 407.002 3.990 20 0 HHADMP CCC[NH+](C)[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000509032977 1003503608 /nfs/dbraw/zinc/50/36/08/1003503608.db2.gz PTGJYGWCJAFXDA-JKWVGCSGSA-N 2 1 407.002 3.990 20 0 HHADMP CCCN(CC[NH+]1CCCC1)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000500624487 1003840033 /nfs/dbraw/zinc/84/00/33/1003840033.db2.gz LZEZABBXEWOQLL-JTHBVZDNSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000500660152 1003872879 /nfs/dbraw/zinc/87/28/79/1003872879.db2.gz CMECYFSDIWTLBC-BGYRXZFFSA-N 2 1 400.611 3.648 20 0 HHADMP C[NH+](C)CCOc1cccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000509531794 1003926624 /nfs/dbraw/zinc/92/66/24/1003926624.db2.gz GJDMTPXWUZOVPY-OAQYLSRUSA-N 2 1 417.500 3.723 20 0 HHADMP CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(C[NH+](C)C)c3)cc2)CC1 ZINC000500750570 1003936311 /nfs/dbraw/zinc/93/63/11/1003936311.db2.gz PPPRYIAKGLVIDZ-UHFFFAOYSA-N 2 1 400.954 3.796 20 0 HHADMP C[NH+](C)Cc1cnc(CNc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)s1 ZINC000512072955 1004001899 /nfs/dbraw/zinc/00/18/99/1004001899.db2.gz POMISYIJSKRDDF-UHFFFAOYSA-N 2 1 401.580 3.631 20 0 HHADMP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000512125246 1004040841 /nfs/dbraw/zinc/04/08/41/1004040841.db2.gz XVQPUTOAPRQQLC-ZRCGQRJVSA-N 2 1 401.595 3.631 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000512125246 1004040850 /nfs/dbraw/zinc/04/08/50/1004040850.db2.gz XVQPUTOAPRQQLC-ZRCGQRJVSA-N 2 1 401.595 3.631 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000512125246 1004040861 /nfs/dbraw/zinc/04/08/61/1004040861.db2.gz XVQPUTOAPRQQLC-ZRCGQRJVSA-N 2 1 401.595 3.631 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000512125246 1004040871 /nfs/dbraw/zinc/04/08/71/1004040871.db2.gz XVQPUTOAPRQQLC-ZRCGQRJVSA-N 2 1 401.595 3.631 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000509751167 1004070919 /nfs/dbraw/zinc/07/09/19/1004070919.db2.gz MDQWNMBXPCFGAF-SYYKKAFVSA-N 2 1 414.619 3.951 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccccc3OCc3cccnc3)CC2)C[C@H](C)O1 ZINC000512180539 1004082622 /nfs/dbraw/zinc/08/26/22/1004082622.db2.gz ANSROLWCIYRSKA-OYRHEFFESA-N 2 1 409.574 3.982 20 0 HHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nc4cc(C(F)(F)F)ccc4n3C)CC2)C[C@H](C)O1 ZINC000512181286 1004083486 /nfs/dbraw/zinc/08/34/86/1004083486.db2.gz PNFATGPTUNLUMQ-IYBDPMFKSA-N 2 1 424.511 3.913 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nc4cc(C(F)(F)F)ccc4n3C)CC2)C[C@H](C)O1 ZINC000512181286 1004083499 /nfs/dbraw/zinc/08/34/99/1004083499.db2.gz PNFATGPTUNLUMQ-IYBDPMFKSA-N 2 1 424.511 3.913 20 0 HHADMP CC(C)(C)[N@H+]1C[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C(F)(F)F)C1 ZINC000509783073 1004093187 /nfs/dbraw/zinc/09/31/87/1004093187.db2.gz OVQVNXAFLSXLOW-GUDVDZBRSA-N 2 1 411.512 3.534 20 0 HHADMP CC(C)(C)[NH+]1C[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C(F)(F)F)C1 ZINC000509783073 1004093193 /nfs/dbraw/zinc/09/31/93/1004093193.db2.gz OVQVNXAFLSXLOW-GUDVDZBRSA-N 2 1 411.512 3.534 20 0 HHADMP CC(C)(C)[NH+]1C[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C(F)(F)F)C1 ZINC000509783073 1004093203 /nfs/dbraw/zinc/09/32/03/1004093203.db2.gz OVQVNXAFLSXLOW-GUDVDZBRSA-N 2 1 411.512 3.534 20 0 HHADMP C[N@H+](CC(=O)Nc1ccc(Br)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501022693 1004126056 /nfs/dbraw/zinc/12/60/56/1004126056.db2.gz RHCUBILMYIPUSN-UHFFFAOYSA-N 2 1 417.351 3.631 20 0 HHADMP C[C@H](NC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000501067438 1004169614 /nfs/dbraw/zinc/16/96/14/1004169614.db2.gz IWYTYNKDRNARIQ-KRWDZBQOSA-N 2 1 400.954 3.761 20 0 HHADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000501075655 1004180321 /nfs/dbraw/zinc/18/03/21/1004180321.db2.gz COSJTLRQRRODGB-UHFFFAOYSA-N 2 1 415.409 3.670 20 0 HHADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000501077949 1004183340 /nfs/dbraw/zinc/18/33/40/1004183340.db2.gz PVUAEFGMXDDZKV-OAQYLSRUSA-N 2 1 416.928 3.828 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000501086023 1004190917 /nfs/dbraw/zinc/19/09/17/1004190917.db2.gz UWKKSWLUTBNBAF-NFBKMPQASA-N 2 1 421.589 3.602 20 0 HHADMP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501092880 1004198459 /nfs/dbraw/zinc/19/84/59/1004198459.db2.gz XUELPFUOEFFSKJ-UHFFFAOYSA-N 2 1 408.590 3.977 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000510037161 1004281056 /nfs/dbraw/zinc/28/10/56/1004281056.db2.gz AZBBNTSRIIZORN-IBGZPJMESA-N 2 1 415.607 3.614 20 0 HHADMP Cc1cccc(C)c1OCCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512419975 1004285950 /nfs/dbraw/zinc/28/59/50/1004285950.db2.gz GBHUHJIEDXZSED-VWLOTQADSA-N 2 1 407.602 3.964 20 0 HHADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000510130325 1004345338 /nfs/dbraw/zinc/34/53/38/1004345338.db2.gz YHRACVYFYQEOHH-GTROLIPKSA-N 2 1 422.013 3.856 20 0 HHADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000510130325 1004345345 /nfs/dbraw/zinc/34/53/45/1004345345.db2.gz YHRACVYFYQEOHH-GTROLIPKSA-N 2 1 422.013 3.856 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000501386036 1004382363 /nfs/dbraw/zinc/38/23/63/1004382363.db2.gz OSAKFSIFBSQEAN-WIHVIGOGSA-N 2 1 420.601 3.859 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501386036 1004382371 /nfs/dbraw/zinc/38/23/71/1004382371.db2.gz OSAKFSIFBSQEAN-WIHVIGOGSA-N 2 1 420.601 3.859 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501386036 1004382379 /nfs/dbraw/zinc/38/23/79/1004382379.db2.gz OSAKFSIFBSQEAN-WIHVIGOGSA-N 2 1 420.601 3.859 20 0 HHADMP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501393201 1004388479 /nfs/dbraw/zinc/38/84/79/1004388479.db2.gz PDADTNJXFYERAH-JTHBVZDNSA-N 2 1 400.611 3.805 20 0 HHADMP CC[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)[NH+]1CCc2ccccc2C1 ZINC000501396522 1004391211 /nfs/dbraw/zinc/39/12/11/1004391211.db2.gz FFLBRDNKAXLXGT-BJKOFHAPSA-N 2 1 406.574 3.522 20 0 HHADMP CC[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)[NH+]1CCc2ccccc2C1 ZINC000501396522 1004391219 /nfs/dbraw/zinc/39/12/19/1004391219.db2.gz FFLBRDNKAXLXGT-BJKOFHAPSA-N 2 1 406.574 3.522 20 0 HHADMP CC[C@@H](CNC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000501396522 1004391226 /nfs/dbraw/zinc/39/12/26/1004391226.db2.gz FFLBRDNKAXLXGT-BJKOFHAPSA-N 2 1 406.574 3.522 20 0 HHADMP CC[C@@H](CNC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000501396522 1004391234 /nfs/dbraw/zinc/39/12/34/1004391234.db2.gz FFLBRDNKAXLXGT-BJKOFHAPSA-N 2 1 406.574 3.522 20 0 HHADMP CC[C@@H](CNC(=O)Nc1cccc(OCC[NH+](C)C)c1)[N@H+]1CCc2ccccc2C1 ZINC000501405918 1004397149 /nfs/dbraw/zinc/39/71/49/1004397149.db2.gz LVZCROAKEYSSRR-QFIPXVFZSA-N 2 1 410.562 3.585 20 0 HHADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000510244551 1004420908 /nfs/dbraw/zinc/42/09/08/1004420908.db2.gz UDCNKIMQBJMFCD-SFTDATJTSA-N 2 1 405.533 3.621 20 0 HHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000512640965 1004452515 /nfs/dbraw/zinc/45/25/15/1004452515.db2.gz BWOQNIMLNJZGQE-PDIHAJQMSA-N 2 1 411.634 3.645 20 0 HHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000512640965 1004452521 /nfs/dbraw/zinc/45/25/21/1004452521.db2.gz BWOQNIMLNJZGQE-PDIHAJQMSA-N 3 1 411.634 3.645 20 0 HHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000512640965 1004452526 /nfs/dbraw/zinc/45/25/26/1004452526.db2.gz BWOQNIMLNJZGQE-PDIHAJQMSA-N 3 1 411.634 3.645 20 0 HHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000501491463 1004462305 /nfs/dbraw/zinc/46/23/05/1004462305.db2.gz NVACFMXIOWHODO-UHFFFAOYSA-N 2 1 415.528 3.629 20 0 HHADMP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)(N2CCCCC2)CC1 ZINC000512662575 1004473136 /nfs/dbraw/zinc/47/31/36/1004473136.db2.gz YPOKUVOUKHJUAF-JIMJEQGWSA-N 3 1 424.677 3.827 20 0 HHADMP CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000512667240 1004477317 /nfs/dbraw/zinc/47/73/17/1004477317.db2.gz OMXPWYFXHYMMOK-TZRRMPRUSA-N 2 1 412.599 3.622 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCCC34CC[NH+](C)CC4)cc2)C1 ZINC000510325950 1004483686 /nfs/dbraw/zinc/48/36/86/1004483686.db2.gz IYQCNHZTLJCHTP-OYRHEFFESA-N 2 1 412.622 3.934 20 0 HHADMP C[N@@H+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501527784 1004491473 /nfs/dbraw/zinc/49/14/73/1004491473.db2.gz MDUBRGKFFVOESI-NRFANRHFSA-N 2 1 407.480 3.852 20 0 HHADMP C[C@H](NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000512708687 1004508785 /nfs/dbraw/zinc/50/87/85/1004508785.db2.gz VFRDRIZOWYCNBF-FUDKSRODSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@H](NC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512708687 1004508790 /nfs/dbraw/zinc/50/87/90/1004508790.db2.gz VFRDRIZOWYCNBF-FUDKSRODSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@H](NC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512708687 1004508796 /nfs/dbraw/zinc/50/87/96/1004508796.db2.gz VFRDRIZOWYCNBF-FUDKSRODSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@@H](NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512712090 1004511473 /nfs/dbraw/zinc/51/14/73/1004511473.db2.gz NXQGARZTALPCDE-IFMALSPDSA-N 2 1 412.622 3.945 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)NCCC[N@@H+](C)C3CCCCC3)c(C)c2)CC1 ZINC000501561665 1004518193 /nfs/dbraw/zinc/51/81/93/1004518193.db2.gz NANJELREMPDQNA-UHFFFAOYSA-N 2 1 415.626 3.913 20 0 HHADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000501606602 1004548294 /nfs/dbraw/zinc/54/82/94/1004548294.db2.gz MCAZYHBJIAKEJB-XMMPIXPASA-N 2 1 406.574 3.811 20 0 HHADMP COCC[N@@H+](C)CCCC1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000501634370 1004566831 /nfs/dbraw/zinc/56/68/31/1004566831.db2.gz ZHFGKONYCSRBSU-UHFFFAOYSA-N 2 1 415.622 3.883 20 0 HHADMP Cc1cnn([C@@H]2CC[NH+](Cc3ccccc3)C2)c1NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000501667403 1004585502 /nfs/dbraw/zinc/58/55/02/1004585502.db2.gz VNUPIYJFAPEPMX-FGZHOGPDSA-N 2 1 409.578 3.842 20 0 HHADMP Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)CC[C@H]1CCCC[NH+]1C ZINC000501667403 1004585509 /nfs/dbraw/zinc/58/55/09/1004585509.db2.gz VNUPIYJFAPEPMX-FGZHOGPDSA-N 2 1 409.578 3.842 20 0 HHADMP Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)CC[C@H]1CCCC[NH+]1C ZINC000501667403 1004585520 /nfs/dbraw/zinc/58/55/20/1004585520.db2.gz VNUPIYJFAPEPMX-FGZHOGPDSA-N 2 1 409.578 3.842 20 0 HHADMP C[C@H](c1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1)[NH+]1CCOCC1 ZINC000512829508 1004587062 /nfs/dbraw/zinc/58/70/62/1004587062.db2.gz VBQFLYTVFHEYDD-QKNQBKEWSA-N 2 1 414.594 3.854 20 0 HHADMP C[C@H](c1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1)[NH+]1CCOCC1 ZINC000512829508 1004587072 /nfs/dbraw/zinc/58/70/72/1004587072.db2.gz VBQFLYTVFHEYDD-QKNQBKEWSA-N 2 1 414.594 3.854 20 0 HHADMP C[C@H](NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510482410 1004599398 /nfs/dbraw/zinc/59/93/98/1004599398.db2.gz PGFKIPJCEVQRJM-FVJLSDCUSA-N 2 1 407.002 3.895 20 0 HHADMP C[C@H](NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510482410 1004599405 /nfs/dbraw/zinc/59/94/05/1004599405.db2.gz PGFKIPJCEVQRJM-FVJLSDCUSA-N 2 1 407.002 3.895 20 0 HHADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCC[C@H]3c3cccc(C(F)(F)F)c3)cn2)CC1 ZINC000512856015 1004618469 /nfs/dbraw/zinc/61/84/69/1004618469.db2.gz KYFCMUSYDLECIC-VQTJNVASSA-N 2 1 419.495 3.673 20 0 HHADMP CN(c1ccccc1C[NH+]1CC(n2cc(-c3ccccc3)nn2)C1)C1CC[NH+](C)CC1 ZINC000501717548 1004639590 /nfs/dbraw/zinc/63/95/90/1004639590.db2.gz OUFRJXHUKLBPGD-UHFFFAOYSA-N 2 1 416.573 3.532 20 0 HHADMP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000501763321 1004698887 /nfs/dbraw/zinc/69/88/87/1004698887.db2.gz BQDKXZMWPUTKRO-MRXNPFEDSA-N 2 1 413.965 3.877 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000501763321 1004698892 /nfs/dbraw/zinc/69/88/92/1004698892.db2.gz BQDKXZMWPUTKRO-MRXNPFEDSA-N 2 1 413.965 3.877 20 0 HHADMP CC(C)(C)[NH+]1CCC(NC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)CC1 ZINC000510563775 1004708668 /nfs/dbraw/zinc/70/86/68/1004708668.db2.gz DLFUBLVSMNGUGF-UHFFFAOYSA-N 2 1 400.611 3.599 20 0 HHADMP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000501779275 1004719367 /nfs/dbraw/zinc/71/93/67/1004719367.db2.gz ALXFQNOHGZBNMR-XMMPIXPASA-N 2 1 406.574 3.741 20 0 HHADMP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000501784610 1004726631 /nfs/dbraw/zinc/72/66/31/1004726631.db2.gz IFCZRKFJMSQDCO-UHFFFAOYSA-N 2 1 403.901 3.934 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)C2=CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000510579396 1004726969 /nfs/dbraw/zinc/72/69/69/1004726969.db2.gz KYOJUOCNVLUILU-ONGXBYRLSA-N 2 1 422.976 3.953 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@@H](C)C2=CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000510579396 1004726972 /nfs/dbraw/zinc/72/69/72/1004726972.db2.gz KYOJUOCNVLUILU-ONGXBYRLSA-N 2 1 422.976 3.953 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000510579396 1004726975 /nfs/dbraw/zinc/72/69/75/1004726975.db2.gz KYOJUOCNVLUILU-ONGXBYRLSA-N 2 1 422.976 3.953 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000510579396 1004726980 /nfs/dbraw/zinc/72/69/80/1004726980.db2.gz KYOJUOCNVLUILU-ONGXBYRLSA-N 2 1 422.976 3.953 20 0 HHADMP C[C@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000501830768 1004763893 /nfs/dbraw/zinc/76/38/93/1004763893.db2.gz ODIWQABZLMIRAX-NQIIRXRSSA-N 2 1 412.603 3.631 20 0 HHADMP C[C@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000501830768 1004763898 /nfs/dbraw/zinc/76/38/98/1004763898.db2.gz ODIWQABZLMIRAX-NQIIRXRSSA-N 2 1 412.603 3.631 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000513047999 1004777527 /nfs/dbraw/zinc/77/75/27/1004777527.db2.gz WSRSOOYWCQEGLK-ZPZUNKDASA-N 2 1 411.565 3.842 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000513047999 1004777537 /nfs/dbraw/zinc/77/75/37/1004777537.db2.gz WSRSOOYWCQEGLK-ZPZUNKDASA-N 2 1 411.565 3.842 20 0 HHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[NH+](C)C ZINC000501868346 1004787423 /nfs/dbraw/zinc/78/74/23/1004787423.db2.gz DZMFYQMBFHKKLS-NVJIOZQYSA-N 2 1 400.611 3.938 20 0 HHADMP CCOC(=O)c1sc2nc(C[NH+](C)C)nc(NCCC[NH+]3CCCCC3)c2c1C ZINC000501892465 1004798482 /nfs/dbraw/zinc/79/84/82/1004798482.db2.gz XWXMXTVQOZKFBY-UHFFFAOYSA-N 2 1 419.595 3.526 20 0 HHADMP CC[NH+](CC)Cc1ccc(C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000513114887 1004814647 /nfs/dbraw/zinc/81/46/47/1004814647.db2.gz JAHPZFLHQBOVMJ-FQEVSTJZSA-N 2 1 409.574 3.679 20 0 HHADMP CC[NH+](CC)Cc1ccc(C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000513114887 1004814650 /nfs/dbraw/zinc/81/46/50/1004814650.db2.gz JAHPZFLHQBOVMJ-FQEVSTJZSA-N 2 1 409.574 3.679 20 0 HHADMP C[N@H+](CC[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)C1CCCC1 ZINC000510831320 1004879806 /nfs/dbraw/zinc/87/98/06/1004879806.db2.gz SNLSMAXKPUZFCK-UHFFFAOYSA-N 2 1 407.986 3.610 20 0 HHADMP C[N@@H+](CC[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)C1CCCC1 ZINC000510831320 1004879812 /nfs/dbraw/zinc/87/98/12/1004879812.db2.gz SNLSMAXKPUZFCK-UHFFFAOYSA-N 2 1 407.986 3.610 20 0 HHADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000513267487 1004887217 /nfs/dbraw/zinc/88/72/17/1004887217.db2.gz MECJCJIVEFJTID-QHCPKHFHSA-N 2 1 409.599 3.630 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000510853201 1004892076 /nfs/dbraw/zinc/89/20/76/1004892076.db2.gz MCUZNWLAELWWMJ-HSZRJFAPSA-N 2 1 408.590 3.848 20 0 HHADMP Cc1[nH+]ccn1CCCC[N@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000510955345 1004952337 /nfs/dbraw/zinc/95/23/37/1004952337.db2.gz XEHVNUVXRRQHHV-UHFFFAOYSA-N 2 1 406.328 3.726 20 0 HHADMP Cc1[nH+]ccn1CCCC[N@@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000510955345 1004952342 /nfs/dbraw/zinc/95/23/42/1004952342.db2.gz XEHVNUVXRRQHHV-UHFFFAOYSA-N 2 1 406.328 3.726 20 0 HHADMP C[C@@H]1C[NH+](CCCNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C[C@@H](C)O1 ZINC000510957564 1004953773 /nfs/dbraw/zinc/95/37/73/1004953773.db2.gz HKLZOFAVBKPPIU-NHCUHLMSSA-N 2 1 409.574 3.548 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)cc1 ZINC000510962498 1004955638 /nfs/dbraw/zinc/95/56/38/1004955638.db2.gz RAXNPUNFRRFXEE-WIYYLYMNSA-N 2 1 404.514 3.511 20 0 HHADMP O=C([C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)N1CCC[NH+](C2CCCC2)CC1 ZINC000513419573 1004956693 /nfs/dbraw/zinc/95/66/93/1004956693.db2.gz IONUIGHCZMUPCW-OAQYLSRUSA-N 2 1 405.533 3.621 20 0 HHADMP O=C([C@H]1C[NH+](Cc2ccccc2)CCC1(F)F)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000513419573 1004956696 /nfs/dbraw/zinc/95/66/96/1004956696.db2.gz IONUIGHCZMUPCW-OAQYLSRUSA-N 2 1 405.533 3.621 20 0 HHADMP O=C([C@H]1C[NH+](Cc2ccccc2)CCC1(F)F)N1CCC[N@H+](C2CCCC2)CC1 ZINC000513419573 1004956700 /nfs/dbraw/zinc/95/67/00/1004956700.db2.gz IONUIGHCZMUPCW-OAQYLSRUSA-N 2 1 405.533 3.621 20 0 HHADMP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000511003557 1004975758 /nfs/dbraw/zinc/97/57/58/1004975758.db2.gz YHAQXVMDLJZFGI-MOPGFXCFSA-N 2 1 422.573 3.994 20 0 HHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(OC)c(OC)cc3-c3ccccc3)C2)CC1 ZINC000513483330 1004985794 /nfs/dbraw/zinc/98/57/94/1004985794.db2.gz CTVIPOHFJIYLFH-JOCHJYFZSA-N 2 1 409.574 3.583 20 0 HHADMP Cc1c(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000513494275 1004990441 /nfs/dbraw/zinc/99/04/41/1004990441.db2.gz GZYATTMPLJNKEO-REWPJTCUSA-N 2 1 418.585 3.875 20 0 HHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2C(F)(F)F)CC2CC2)CC1 ZINC000511110887 1005023745 /nfs/dbraw/zinc/02/37/45/1005023745.db2.gz SMDSEMNYTLZPDA-UHFFFAOYSA-N 2 1 411.512 3.906 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(OC)c4ccccc34)CC2)CC1 ZINC000513678747 1005078918 /nfs/dbraw/zinc/07/89/18/1005078918.db2.gz RWHJDHVEICETJK-UHFFFAOYSA-N 2 1 409.574 3.615 20 0 HHADMP COc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(-c2ccccc2)cc1OC ZINC000513690394 1005083628 /nfs/dbraw/zinc/08/36/28/1005083628.db2.gz JUWGMPCJOXIMOY-QHCPKHFHSA-N 2 1 423.601 3.973 20 0 HHADMP COc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(-c2ccccc2)cc1OC ZINC000513690394 1005083633 /nfs/dbraw/zinc/08/36/33/1005083633.db2.gz JUWGMPCJOXIMOY-QHCPKHFHSA-N 2 1 423.601 3.973 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]Cc4ccc(N5CCOCC5)nc4)[C@@H]3C2)cc1 ZINC000513697982 1005086540 /nfs/dbraw/zinc/08/65/40/1005086540.db2.gz VFNLWYIDHCRALW-GVAUOCQISA-N 2 1 420.601 3.699 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]Cc4ccc(N5CCOCC5)nc4)[C@H]3C2)cc1 ZINC000513697981 1005086651 /nfs/dbraw/zinc/08/66/51/1005086651.db2.gz VFNLWYIDHCRALW-CCDWMCETSA-N 2 1 420.601 3.699 20 0 HHADMP C[C@H](NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511246669 1005089283 /nfs/dbraw/zinc/08/92/83/1005089283.db2.gz HHMZEYIESWTZBK-MBDNFAEBSA-N 2 1 404.643 3.935 20 0 HHADMP C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511246669 1005089288 /nfs/dbraw/zinc/08/92/88/1005089288.db2.gz HHMZEYIESWTZBK-MBDNFAEBSA-N 2 1 404.643 3.935 20 0 HHADMP C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511246669 1005089295 /nfs/dbraw/zinc/08/92/95/1005089295.db2.gz HHMZEYIESWTZBK-MBDNFAEBSA-N 2 1 404.643 3.935 20 0 HHADMP C[C@H](NC(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1)C1=CC[NH+](C)CC1 ZINC000511253166 1005093087 /nfs/dbraw/zinc/09/30/87/1005093087.db2.gz NENDJAYBUVDURX-QFIPXVFZSA-N 2 1 420.601 3.981 20 0 HHADMP C[C@H](NC(=O)N(CC[NH+](C)Cc1ccccc1)Cc1ccccc1)C1=CC[N@H+](C)CC1 ZINC000511253166 1005093090 /nfs/dbraw/zinc/09/30/90/1005093090.db2.gz NENDJAYBUVDURX-QFIPXVFZSA-N 2 1 420.601 3.981 20 0 HHADMP C[C@H](NC(=O)N(CC[NH+](C)Cc1ccccc1)Cc1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000511253166 1005093092 /nfs/dbraw/zinc/09/30/92/1005093092.db2.gz NENDJAYBUVDURX-QFIPXVFZSA-N 2 1 420.601 3.981 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000513741149 1005105027 /nfs/dbraw/zinc/10/50/27/1005105027.db2.gz GSPKVNKNIUKMHE-UHFFFAOYSA-N 2 1 408.590 3.552 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000513891126 1005175368 /nfs/dbraw/zinc/17/53/68/1005175368.db2.gz APBKVIVHZACPIS-HUVFLSCGSA-N 2 1 406.574 3.958 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)NC3CCC([NH+]4CCC(C)CC4)CC3)CC2)[nH+]c1 ZINC000502795921 1005221195 /nfs/dbraw/zinc/22/11/95/1005221195.db2.gz YZHIAISJJCBJES-UHFFFAOYSA-N 2 1 413.610 3.701 20 0 HHADMP CC1CC[NH+](C2CCC(NC(=O)N(C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000502821098 1005232123 /nfs/dbraw/zinc/23/21/23/1005232123.db2.gz DYUMJECBNBWEOO-VHYCJAOWSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000502829076 1005235601 /nfs/dbraw/zinc/23/56/01/1005235601.db2.gz PVEPKWSZWMDKCZ-XJUOHMSHSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000502829076 1005235604 /nfs/dbraw/zinc/23/56/04/1005235604.db2.gz PVEPKWSZWMDKCZ-XJUOHMSHSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000502829076 1005235608 /nfs/dbraw/zinc/23/56/08/1005235608.db2.gz PVEPKWSZWMDKCZ-XJUOHMSHSA-N 2 1 400.611 3.708 20 0 HHADMP CC(C)[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(Br)cc1 ZINC000511596959 1005239420 /nfs/dbraw/zinc/23/94/20/1005239420.db2.gz WDEQBFFUJVHBHD-UHFFFAOYSA-N 2 1 410.400 3.649 20 0 HHADMP C[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000502845003 1005241354 /nfs/dbraw/zinc/24/13/54/1005241354.db2.gz NKXIQGIPWLEPII-PMACEKPBSA-N 2 1 408.590 3.862 20 0 HHADMP COc1cccc([C@H](CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)[NH+]2CCCC2)c1 ZINC000502876864 1005254552 /nfs/dbraw/zinc/25/45/52/1005254552.db2.gz OUXAFMGAYVMMRK-REWPJTCUSA-N 2 1 416.610 3.643 20 0 HHADMP C[C@@H]1CN([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c2c(F)cccc2Cl)CCO1 ZINC000514086547 1005259364 /nfs/dbraw/zinc/25/93/64/1005259364.db2.gz BEYQFDZQSZNIMS-CULFCCOHSA-N 2 1 409.977 3.703 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000514108116 1005268815 /nfs/dbraw/zinc/26/88/15/1005268815.db2.gz VJQOGGHXZVOELL-JTHBVZDNSA-N 2 1 415.626 3.732 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000514108116 1005268820 /nfs/dbraw/zinc/26/88/20/1005268820.db2.gz VJQOGGHXZVOELL-JTHBVZDNSA-N 2 1 415.626 3.732 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000514108116 1005268825 /nfs/dbraw/zinc/26/88/25/1005268825.db2.gz VJQOGGHXZVOELL-JTHBVZDNSA-N 2 1 415.626 3.732 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1F ZINC000514123544 1005276558 /nfs/dbraw/zinc/27/65/58/1005276558.db2.gz VMLIQCQNZHDSFV-QGZVFWFLSA-N 2 1 401.530 3.631 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1F ZINC000514123544 1005276563 /nfs/dbraw/zinc/27/65/63/1005276563.db2.gz VMLIQCQNZHDSFV-QGZVFWFLSA-N 2 1 401.530 3.631 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[NH+](CCCc3ccccc3)CC2)C1 ZINC000514146273 1005288579 /nfs/dbraw/zinc/28/85/79/1005288579.db2.gz WCNGJFNHDQTILN-QHCPKHFHSA-N 2 1 414.638 3.849 20 0 HHADMP C[C@H]1CCC[NH+](CCCCNC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)C1 ZINC000514146273 1005288580 /nfs/dbraw/zinc/28/85/80/1005288580.db2.gz WCNGJFNHDQTILN-QHCPKHFHSA-N 2 1 414.638 3.849 20 0 HHADMP C[C@H]1CCC[NH+](CCCCNC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)C1 ZINC000514146273 1005288584 /nfs/dbraw/zinc/28/85/84/1005288584.db2.gz WCNGJFNHDQTILN-QHCPKHFHSA-N 2 1 414.638 3.849 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000502948986 1005288615 /nfs/dbraw/zinc/28/86/15/1005288615.db2.gz KUMADVSITXEVRR-OAQYLSRUSA-N 2 1 400.611 3.947 20 0 HHADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000502966524 1005295979 /nfs/dbraw/zinc/29/59/79/1005295979.db2.gz VEJPZONZDNVUCD-MZKRTTBSSA-N 2 1 401.595 3.680 20 0 HHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000502966524 1005295984 /nfs/dbraw/zinc/29/59/84/1005295984.db2.gz VEJPZONZDNVUCD-MZKRTTBSSA-N 2 1 401.595 3.680 20 0 HHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000502966524 1005295987 /nfs/dbraw/zinc/29/59/87/1005295987.db2.gz VEJPZONZDNVUCD-MZKRTTBSSA-N 2 1 401.595 3.680 20 0 HHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000502966524 1005295992 /nfs/dbraw/zinc/29/59/92/1005295992.db2.gz VEJPZONZDNVUCD-MZKRTTBSSA-N 2 1 401.595 3.680 20 0 HHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000514177027 1005299476 /nfs/dbraw/zinc/29/94/76/1005299476.db2.gz ZWHMTXZXSNQEHS-NHCUHLMSSA-N 2 1 412.603 3.534 20 0 HHADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000514177027 1005299485 /nfs/dbraw/zinc/29/94/85/1005299485.db2.gz ZWHMTXZXSNQEHS-NHCUHLMSSA-N 2 1 412.603 3.534 20 0 HHADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000514177027 1005299490 /nfs/dbraw/zinc/29/94/90/1005299490.db2.gz ZWHMTXZXSNQEHS-NHCUHLMSSA-N 2 1 412.603 3.534 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000514239966 1005327523 /nfs/dbraw/zinc/32/75/23/1005327523.db2.gz VAVPICYYZGUIMY-HYBUGGRVSA-N 2 1 406.574 3.570 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000514239966 1005327527 /nfs/dbraw/zinc/32/75/27/1005327527.db2.gz VAVPICYYZGUIMY-HYBUGGRVSA-N 2 1 406.574 3.570 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000514239966 1005327533 /nfs/dbraw/zinc/32/75/33/1005327533.db2.gz VAVPICYYZGUIMY-HYBUGGRVSA-N 2 1 406.574 3.570 20 0 HHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000514242998 1005329584 /nfs/dbraw/zinc/32/95/84/1005329584.db2.gz PQJZPPYKHAWGCE-DEOSSOPVSA-N 2 1 403.526 3.517 20 0 HHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000503059030 1005331450 /nfs/dbraw/zinc/33/14/50/1005331450.db2.gz MKBJLJPFIUZKHV-FQEVSTJZSA-N 2 1 400.611 3.803 20 0 HHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000503075565 1005339908 /nfs/dbraw/zinc/33/99/08/1005339908.db2.gz NPPUPMGAGQYOAJ-KRWDZBQOSA-N 2 1 412.534 3.972 20 0 HHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000503075565 1005339911 /nfs/dbraw/zinc/33/99/11/1005339911.db2.gz NPPUPMGAGQYOAJ-KRWDZBQOSA-N 2 1 412.534 3.972 20 0 HHADMP C[C@@H]1CCN(CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)C[C@H]1n1ccnc1 ZINC000503078828 1005341441 /nfs/dbraw/zinc/34/14/41/1005341441.db2.gz ABXYFBPUQVJRPZ-NIJXNBFTSA-N 2 1 414.553 3.940 20 0 HHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000503081978 1005342576 /nfs/dbraw/zinc/34/25/76/1005342576.db2.gz VLHSGVLRDUJTKL-OAHLLOKOSA-N 2 1 414.331 3.619 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000503209934 1005369141 /nfs/dbraw/zinc/36/91/41/1005369141.db2.gz WELUKKJXBLCMBM-DHIUTWEWSA-N 2 1 424.589 3.589 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[N@@H+]1CCc2sccc2C1 ZINC000503328513 1005391380 /nfs/dbraw/zinc/39/13/80/1005391380.db2.gz LODLVGGPLRUXJT-UXHICEINSA-N 2 1 418.651 3.648 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[N@H+]1CCc2sccc2C1 ZINC000503328513 1005391382 /nfs/dbraw/zinc/39/13/82/1005391382.db2.gz LODLVGGPLRUXJT-UXHICEINSA-N 2 1 418.651 3.648 20 0 HHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000503402253 1005409332 /nfs/dbraw/zinc/40/93/32/1005409332.db2.gz SPYPVHOJTAMQSM-BJKOFHAPSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000503426201 1005416670 /nfs/dbraw/zinc/41/66/70/1005416670.db2.gz ZNKWCSYAVXMSEW-BGYRXZFFSA-N 2 1 418.626 3.573 20 0 HHADMP CCc1ccc([C@H](CNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)[NH+](C)C)cc1 ZINC000514438703 1005990260 /nfs/dbraw/zinc/99/02/60/1005990260.db2.gz TZRGIIKOBXVTRK-DEOSSOPVSA-N 2 1 408.590 3.769 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000514446078 1005995275 /nfs/dbraw/zinc/99/52/75/1005995275.db2.gz UOLIKXBLXQMTLG-XMMPIXPASA-N 2 1 406.574 3.741 20 0 HHADMP Cc1nc2ccccn2c(=O)c1CCN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000514635763 1006064383 /nfs/dbraw/zinc/06/43/83/1006064383.db2.gz XZJUKLKOXGUHJL-LADGPHEKSA-N 2 1 416.569 3.532 20 0 HHADMP Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000514635763 1006064390 /nfs/dbraw/zinc/06/43/90/1006064390.db2.gz XZJUKLKOXGUHJL-LADGPHEKSA-N 2 1 416.569 3.532 20 0 HHADMP Cc1nc2ccccn2c(=O)c1CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000514635763 1006064397 /nfs/dbraw/zinc/06/43/97/1006064397.db2.gz XZJUKLKOXGUHJL-LADGPHEKSA-N 2 1 416.569 3.532 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C[C@@H]1C ZINC000531376014 1006160086 /nfs/dbraw/zinc/16/00/86/1006160086.db2.gz PFQSORWQZTWQML-BBTUJRGHSA-N 2 1 407.002 3.991 20 0 HHADMP C[NH+]1CCN(C[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc2)CC1 ZINC000514838588 1006166924 /nfs/dbraw/zinc/16/69/24/1006166924.db2.gz TWAGAKALPBWRTG-HVWQDESWSA-N 2 1 418.629 3.760 20 0 HHADMP C/C(=C/c1ccccc1OC(F)F)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000514895813 1006195618 /nfs/dbraw/zinc/19/56/18/1006195618.db2.gz DGWXUZDRDDVSNS-SYJQRZJQSA-N 2 1 405.533 3.934 20 0 HHADMP C/C(=C/c1ccccc1OC(F)F)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000514895813 1006195624 /nfs/dbraw/zinc/19/56/24/1006195624.db2.gz DGWXUZDRDDVSNS-SYJQRZJQSA-N 2 1 405.533 3.934 20 0 HHADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534205721 1006198795 /nfs/dbraw/zinc/19/87/95/1006198795.db2.gz VZUUNTFNMQZUJO-LJCCNALRSA-N 2 1 410.965 3.644 20 0 HHADMP C[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C[NH+]1CCCC1 ZINC000534207381 1006200971 /nfs/dbraw/zinc/20/09/71/1006200971.db2.gz XAJNVNCZLRBBQW-SYNHAJSKSA-N 2 1 410.965 3.503 20 0 HHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000534249472 1006256998 /nfs/dbraw/zinc/25/69/98/1006256998.db2.gz GOZOVGTZNYGPOW-FGZHOGPDSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534249472 1006257000 /nfs/dbraw/zinc/25/70/00/1006257000.db2.gz GOZOVGTZNYGPOW-FGZHOGPDSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534249472 1006257007 /nfs/dbraw/zinc/25/70/07/1006257007.db2.gz GOZOVGTZNYGPOW-FGZHOGPDSA-N 2 1 412.622 3.805 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000534256394 1006265386 /nfs/dbraw/zinc/26/53/86/1006265386.db2.gz AUSLBMISMXZBIM-UHFFFAOYSA-N 2 1 412.622 3.806 20 0 HHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000534282741 1006280469 /nfs/dbraw/zinc/28/04/69/1006280469.db2.gz CETKOOCQAIKMKT-FQEVSTJZSA-N 2 1 418.651 3.914 20 0 HHADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H](Cc3ccc(Cl)cc3)c3ccccc3)cn2)CC1 ZINC000531631690 1006316888 /nfs/dbraw/zinc/31/68/88/1006316888.db2.gz UDTPSKZXWYQEPV-HSZRJFAPSA-N 2 1 421.976 3.955 20 0 HHADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1C ZINC000531677650 1006348989 /nfs/dbraw/zinc/34/89/89/1006348989.db2.gz FDGGJKLNJUJFER-NQIIRXRSSA-N 2 1 414.619 3.660 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CSCCc4ccccc43)c2)C1 ZINC000531714451 1006374263 /nfs/dbraw/zinc/37/42/63/1006374263.db2.gz QARYEOHTAXOFRJ-JTHBVZDNSA-N 2 1 409.599 3.504 20 0 HHADMP Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000515476574 1006489196 /nfs/dbraw/zinc/48/91/96/1006489196.db2.gz LYZZKUZNROPSAQ-TZIWHRDSSA-N 2 1 410.562 3.720 20 0 HHADMP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000515547361 1006527327 /nfs/dbraw/zinc/52/73/27/1006527327.db2.gz VOCGFWVBYZDENF-XMMPIXPASA-N 2 1 407.558 3.719 20 0 HHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccc4c(c3)CCC(=O)N4)cc2)CC1 ZINC000531937045 1006531402 /nfs/dbraw/zinc/53/14/02/1006531402.db2.gz PWSBSRKCBFLEGF-LJQANCHMSA-N 2 1 406.574 3.560 20 0 HHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000531970814 1006552881 /nfs/dbraw/zinc/55/28/81/1006552881.db2.gz OOTXJXMXAXNXHI-MOPGFXCFSA-N 2 1 407.624 3.680 20 0 HHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000531970814 1006552891 /nfs/dbraw/zinc/55/28/91/1006552891.db2.gz OOTXJXMXAXNXHI-MOPGFXCFSA-N 2 1 407.624 3.680 20 0 HHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000532193457 1006711785 /nfs/dbraw/zinc/71/17/85/1006711785.db2.gz VGNSUIZLHIHADH-TVZXLZGTSA-N 3 1 406.618 3.827 20 0 HHADMP CC(C)[NH+]1CCN(c2cccc(N[C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)c2)CC1 ZINC000538546759 1006810193 /nfs/dbraw/zinc/81/01/93/1006810193.db2.gz QGMDJYQVNZDZMB-OFVILXPXSA-N 2 1 407.606 3.935 20 0 HHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000516242084 1006969527 /nfs/dbraw/zinc/96/95/27/1006969527.db2.gz BDVNZVGMKQKDAU-KURKYZTESA-N 2 1 422.564 3.595 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534941583 1006982426 /nfs/dbraw/zinc/98/24/26/1006982426.db2.gz RNIMVNXRSAWZHZ-PLMTUMEDSA-N 2 1 424.992 3.749 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534941583 1006982434 /nfs/dbraw/zinc/98/24/34/1006982434.db2.gz RNIMVNXRSAWZHZ-PLMTUMEDSA-N 2 1 424.992 3.749 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534941583 1006982445 /nfs/dbraw/zinc/98/24/45/1006982445.db2.gz RNIMVNXRSAWZHZ-PLMTUMEDSA-N 2 1 424.992 3.749 20 0 HHADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3cccc(NC(=O)c4ccccc4)c3)C2)CC1 ZINC000532552494 1006983768 /nfs/dbraw/zinc/98/37/68/1006983768.db2.gz RHMMJJKKDRCXNG-YKSBVNFPSA-N 2 1 406.574 3.712 20 0 HHADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3cccc(NC(=O)c4ccccc4)c3)C2)CC1 ZINC000532552492 1006984195 /nfs/dbraw/zinc/98/41/95/1006984195.db2.gz RHMMJJKKDRCXNG-HYBUGGRVSA-N 2 1 406.574 3.712 20 0 HHADMP Cc1ccc(-n2cc(C[N@@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000538723185 1006998341 /nfs/dbraw/zinc/99/83/41/1006998341.db2.gz NVLYTHQMYPDAJY-QPPBQGQZSA-N 2 1 423.649 3.936 20 0 HHADMP Cc1ccc(-n2cc(C[N@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000538723185 1006998353 /nfs/dbraw/zinc/99/83/53/1006998353.db2.gz NVLYTHQMYPDAJY-QPPBQGQZSA-N 2 1 423.649 3.936 20 0 HHADMP C[C@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000538723148 1006998975 /nfs/dbraw/zinc/99/89/75/1006998975.db2.gz LTQFEOQCUGRVQZ-XUZZJYLKSA-N 2 1 423.649 3.687 20 0 HHADMP C[C@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000538723148 1006998987 /nfs/dbraw/zinc/99/89/87/1006998987.db2.gz LTQFEOQCUGRVQZ-XUZZJYLKSA-N 2 1 423.649 3.687 20 0 HHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000538724160 1007001487 /nfs/dbraw/zinc/00/14/87/1007001487.db2.gz WECLBENIXHONIZ-GAJHUEQPSA-N 2 1 416.013 3.600 20 0 HHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000538724160 1007001498 /nfs/dbraw/zinc/00/14/98/1007001498.db2.gz WECLBENIXHONIZ-GAJHUEQPSA-N 2 1 416.013 3.600 20 0 HHADMP CC(=O)Nc1cccc(NC(=O)C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000534965775 1007017538 /nfs/dbraw/zinc/01/75/38/1007017538.db2.gz JTYSKELXHCSORQ-UHFFFAOYSA-N 2 1 420.557 3.572 20 0 HHADMP CC(=O)Nc1cccc(NC(=O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000534965775 1007017547 /nfs/dbraw/zinc/01/75/47/1007017547.db2.gz JTYSKELXHCSORQ-UHFFFAOYSA-N 2 1 420.557 3.572 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1cccc(OC)c1 ZINC000516333301 1007023124 /nfs/dbraw/zinc/02/31/24/1007023124.db2.gz PPNVWFLDAGEPAU-VWNXMTODSA-N 2 1 424.589 3.502 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1F ZINC000534980554 1007039382 /nfs/dbraw/zinc/03/93/82/1007039382.db2.gz WQKCSUMAEPHHEQ-SFHVURJKSA-N 2 1 418.582 3.660 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000534987173 1007045988 /nfs/dbraw/zinc/04/59/88/1007045988.db2.gz ZQMPGYQLJCBRPV-DEOSSOPVSA-N 2 1 420.601 3.987 20 0 HHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000532627871 1007050484 /nfs/dbraw/zinc/05/04/84/1007050484.db2.gz PWABMWQDQKFQLU-VXKWHMMOSA-N 2 1 402.970 3.610 20 0 HHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000538853656 1007128111 /nfs/dbraw/zinc/12/81/11/1007128111.db2.gz UIYURGXUPYEESX-FQEVSTJZSA-N 2 1 415.626 3.840 20 0 HHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000516608605 1007189776 /nfs/dbraw/zinc/18/97/76/1007189776.db2.gz LNIAMYQRLMBGGZ-HXUWFJFHSA-N 2 1 400.611 3.503 20 0 HHADMP COc1ccccc1[C@@H](C)NC(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538945741 1007230486 /nfs/dbraw/zinc/23/04/86/1007230486.db2.gz HCZXZJCIRBCBCK-LJQANCHMSA-N 2 1 410.562 3.506 20 0 HHADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000516684194 1007230721 /nfs/dbraw/zinc/23/07/21/1007230721.db2.gz BKKYLQULDWEEAM-RTBURBONSA-N 2 1 407.002 3.678 20 0 HHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000516684194 1007230732 /nfs/dbraw/zinc/23/07/32/1007230732.db2.gz BKKYLQULDWEEAM-RTBURBONSA-N 2 1 407.002 3.678 20 0 HHADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000516684194 1007230742 /nfs/dbraw/zinc/23/07/42/1007230742.db2.gz BKKYLQULDWEEAM-RTBURBONSA-N 2 1 407.002 3.678 20 0 HHADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000516684194 1007230755 /nfs/dbraw/zinc/23/07/55/1007230755.db2.gz BKKYLQULDWEEAM-RTBURBONSA-N 2 1 407.002 3.678 20 0 HHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000539020172 1007317173 /nfs/dbraw/zinc/31/71/73/1007317173.db2.gz FNYSWMAGCZGGJQ-AUSIDOKSSA-N 2 1 419.635 3.604 20 0 HHADMP CC(C)[NH+]1CCC([N@H+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)CC1 ZINC000532948493 1007319185 /nfs/dbraw/zinc/31/91/85/1007319185.db2.gz CZWZZLBGLGYRTO-OAHLLOKOSA-N 2 1 401.624 3.745 20 0 HHADMP CC(C)[NH+]1CCC([N@@H+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)CC1 ZINC000532948493 1007319201 /nfs/dbraw/zinc/31/92/01/1007319201.db2.gz CZWZZLBGLGYRTO-OAHLLOKOSA-N 2 1 401.624 3.745 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+](CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)CC1 ZINC000532949928 1007319894 /nfs/dbraw/zinc/31/98/94/1007319894.db2.gz DISVZSVUIFDYFW-MRXNPFEDSA-N 2 1 415.651 3.993 20 0 HHADMP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000535294547 1007346213 /nfs/dbraw/zinc/34/62/13/1007346213.db2.gz NJOPFFPGVDGCPS-QPPBQGQZSA-N 2 1 406.574 3.727 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000535294547 1007346225 /nfs/dbraw/zinc/34/62/25/1007346225.db2.gz NJOPFFPGVDGCPS-QPPBQGQZSA-N 2 1 406.574 3.727 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000535294547 1007346239 /nfs/dbraw/zinc/34/62/39/1007346239.db2.gz NJOPFFPGVDGCPS-QPPBQGQZSA-N 2 1 406.574 3.727 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000535294547 1007346250 /nfs/dbraw/zinc/34/62/50/1007346250.db2.gz NJOPFFPGVDGCPS-QPPBQGQZSA-N 2 1 406.574 3.727 20 0 HHADMP O=C(Nc1cccc2c1CN(c1ccccn1)C2)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000535326630 1007379814 /nfs/dbraw/zinc/37/98/14/1007379814.db2.gz LZQXOLVNCGIALG-NRFANRHFSA-N 2 1 413.525 3.998 20 0 HHADMP CCC[N@H+](Cc1csc(-c2ncccn2)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533060139 1007422674 /nfs/dbraw/zinc/42/26/74/1007422674.db2.gz JSZONFTZZNFZLJ-UHFFFAOYSA-N 2 1 423.590 3.888 20 0 HHADMP CCC[N@@H+](Cc1csc(-c2ncccn2)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533060139 1007422679 /nfs/dbraw/zinc/42/26/79/1007422679.db2.gz JSZONFTZZNFZLJ-UHFFFAOYSA-N 2 1 423.590 3.888 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C[NH+]1Cc1ccccc1 ZINC000533119368 1007464999 /nfs/dbraw/zinc/46/49/99/1007464999.db2.gz PWRNWGNYBBABJK-PFATUAPWSA-N 2 1 420.601 3.711 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C[N@@H+]1Cc1ccccc1 ZINC000533119368 1007465009 /nfs/dbraw/zinc/46/50/09/1007465009.db2.gz PWRNWGNYBBABJK-PFATUAPWSA-N 2 1 420.601 3.711 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C[N@H+]1Cc1ccccc1 ZINC000533119368 1007465016 /nfs/dbraw/zinc/46/50/16/1007465016.db2.gz PWRNWGNYBBABJK-PFATUAPWSA-N 2 1 420.601 3.711 20 0 HHADMP CCC1(CNC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000533127634 1007468823 /nfs/dbraw/zinc/46/88/23/1007468823.db2.gz ISRVQCWYSOFWKN-JOCHJYFZSA-N 2 1 400.611 3.708 20 0 HHADMP Cc1sc2nc([C@H](C)[NH+]3CCC(C[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)nc(N)c2c1C ZINC000539197490 1007494673 /nfs/dbraw/zinc/49/46/73/1007494673.db2.gz JQBKGCANYMWUOQ-FMKPAKJESA-N 2 1 417.623 3.773 20 0 HHADMP C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@@H+](C)CCCn1ccnc1 ZINC000539220105 1007511120 /nfs/dbraw/zinc/51/11/20/1007511120.db2.gz GMILQUGMCAEHQS-MRXNPFEDSA-N 2 1 411.531 3.546 20 0 HHADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000539234266 1007528869 /nfs/dbraw/zinc/52/88/69/1007528869.db2.gz SJCFESXCWGATGG-HXUWFJFHSA-N 2 1 408.590 3.958 20 0 HHADMP Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(C[NH+](C)C)CC3)[C@H](c3ccco3)C2)cc1 ZINC000533242404 1007562482 /nfs/dbraw/zinc/56/24/82/1007562482.db2.gz ZSIZPFGLCGFWGX-QFIPXVFZSA-N 2 1 408.546 3.539 20 0 HHADMP COc1ccccc1[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000533288811 1007601162 /nfs/dbraw/zinc/60/11/62/1007601162.db2.gz CGYSAJRZGXKONQ-RBBKRZOGSA-N 2 1 421.585 3.654 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC(=O)Nc2ccccc2Cl)CC1 ZINC000539310240 1007608039 /nfs/dbraw/zinc/60/80/39/1007608039.db2.gz NVERMTRGEZJYHC-MRXNPFEDSA-N 2 1 418.944 3.910 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535655644 1007668216 /nfs/dbraw/zinc/66/82/16/1007668216.db2.gz OWAQFUHQZFXUHM-RXVVDRJESA-N 2 1 424.992 3.893 20 0 HHADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000535673695 1007695568 /nfs/dbraw/zinc/69/55/68/1007695568.db2.gz BNGGMMGEFGMEFR-QFIPXVFZSA-N 2 1 410.606 3.701 20 0 HHADMP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535673695 1007695573 /nfs/dbraw/zinc/69/55/73/1007695573.db2.gz BNGGMMGEFGMEFR-QFIPXVFZSA-N 2 1 410.606 3.701 20 0 HHADMP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535673695 1007695581 /nfs/dbraw/zinc/69/55/81/1007695581.db2.gz BNGGMMGEFGMEFR-QFIPXVFZSA-N 2 1 410.606 3.701 20 0 HHADMP Cc1csc(C2([NH2+]CC(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CCCC2)n1 ZINC000533386997 1007700212 /nfs/dbraw/zinc/70/02/12/1007700212.db2.gz UBMUTBGGUPVAQD-UHFFFAOYSA-N 2 1 412.603 3.723 20 0 HHADMP CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535699300 1007736362 /nfs/dbraw/zinc/73/63/62/1007736362.db2.gz IBIRPNJTUPBRBL-UTKZUKDTSA-N 2 1 424.992 3.988 20 0 HHADMP C[N@H+]1CC[C@@H](CNC(=O)N2CCC[NH+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535700509 1007736758 /nfs/dbraw/zinc/73/67/58/1007736758.db2.gz NAZBWOMAJNEIKU-FXAWDEMLSA-N 2 1 424.992 3.988 20 0 HHADMP C[NH+]1CC[C@@H](CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535700509 1007736761 /nfs/dbraw/zinc/73/67/61/1007736761.db2.gz NAZBWOMAJNEIKU-FXAWDEMLSA-N 2 1 424.992 3.988 20 0 HHADMP C[NH+]1CC[C@@H](CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535700509 1007736768 /nfs/dbraw/zinc/73/67/68/1007736768.db2.gz NAZBWOMAJNEIKU-FXAWDEMLSA-N 2 1 424.992 3.988 20 0 HHADMP C[N@H+]1CC[C@@H](CNC(=O)N2CCC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535700512 1007737866 /nfs/dbraw/zinc/73/78/66/1007737866.db2.gz NAZBWOMAJNEIKU-PXNSSMCTSA-N 2 1 424.992 3.988 20 0 HHADMP C[NH+]1CC[C@@H](CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535700512 1007737887 /nfs/dbraw/zinc/73/78/87/1007737887.db2.gz NAZBWOMAJNEIKU-PXNSSMCTSA-N 2 1 424.992 3.988 20 0 HHADMP C[NH+]1CC[C@@H](CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535700512 1007737893 /nfs/dbraw/zinc/73/78/93/1007737893.db2.gz NAZBWOMAJNEIKU-PXNSSMCTSA-N 2 1 424.992 3.988 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000517542302 1007758665 /nfs/dbraw/zinc/75/86/65/1007758665.db2.gz OVSCAYMHELSDIT-OFVILXPXSA-N 2 1 420.601 3.828 20 0 HHADMP CC[N@@H+]1CC[C@H]([NH+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C[C@@H]1C ZINC000533447085 1007761806 /nfs/dbraw/zinc/76/18/06/1007761806.db2.gz XFIJJTNYBRSGDM-PMPSAXMXSA-N 2 1 401.624 3.745 20 0 HHADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C[C@@H]1C ZINC000533447085 1007761821 /nfs/dbraw/zinc/76/18/21/1007761821.db2.gz XFIJJTNYBRSGDM-PMPSAXMXSA-N 2 1 401.624 3.745 20 0 HHADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C[C@@H]1C ZINC000533447085 1007761836 /nfs/dbraw/zinc/76/18/36/1007761836.db2.gz XFIJJTNYBRSGDM-PMPSAXMXSA-N 2 1 401.624 3.745 20 0 HHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C[C@@H]1C ZINC000533447085 1007761857 /nfs/dbraw/zinc/76/18/57/1007761857.db2.gz XFIJJTNYBRSGDM-PMPSAXMXSA-N 2 1 401.624 3.745 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)[C@@H](C)C1 ZINC000533458281 1007770311 /nfs/dbraw/zinc/77/03/11/1007770311.db2.gz KTZYLQGWSHYDEM-DZFGPLHGSA-N 2 1 407.002 3.849 20 0 HHADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3nc4cc(Cl)ccc4n3C)CC2)C[C@H](C)O1 ZINC000533481631 1007789659 /nfs/dbraw/zinc/78/96/59/1007789659.db2.gz KVKKOJXVNLMHSD-CALCHBBNSA-N 2 1 404.986 3.938 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3nc4cc(Cl)ccc4n3C)CC2)C[C@H](C)O1 ZINC000533481631 1007789670 /nfs/dbraw/zinc/78/96/70/1007789670.db2.gz KVKKOJXVNLMHSD-CALCHBBNSA-N 2 1 404.986 3.938 20 0 HHADMP C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCC1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000533505671 1007820501 /nfs/dbraw/zinc/82/05/01/1007820501.db2.gz UPOGVGODNOCBLL-NLFFAJNJSA-N 2 1 421.585 3.655 20 0 HHADMP Cc1cccc(NC2CC[NH+]([C@H](C)C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000533530924 1007852058 /nfs/dbraw/zinc/85/20/58/1007852058.db2.gz SNRVCHLPWDKWMC-BWKNWUBXSA-N 2 1 420.601 3.651 20 0 HHADMP Cc1cccc(NC2CC[NH+]([C@H](C)C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000533530924 1007852084 /nfs/dbraw/zinc/85/20/84/1007852084.db2.gz SNRVCHLPWDKWMC-BWKNWUBXSA-N 2 1 420.601 3.651 20 0 HHADMP CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)c21 ZINC000517650788 1007862503 /nfs/dbraw/zinc/86/25/03/1007862503.db2.gz CNUBFIAJCGGGOW-UHFFFAOYSA-N 2 1 420.517 3.623 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 ZINC000517731952 1007937215 /nfs/dbraw/zinc/93/72/15/1007937215.db2.gz CPOSKVZGCSKANU-UHFFFAOYSA-N 2 1 404.539 3.913 20 0 HHADMP CCOCCC[N@H+]1CC[C@H](Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)[C@H](C)C1 ZINC000539627176 1007944171 /nfs/dbraw/zinc/94/41/71/1007944171.db2.gz MUYGDGFKVOJYTE-BWKNWUBXSA-N 2 1 414.638 3.768 20 0 HHADMP CCN1CC[NH+](Cc2ccc(N[C@H](C)c3cccc(OCC[NH+](C)C)c3)cc2)CC1 ZINC000539636688 1007953136 /nfs/dbraw/zinc/95/31/36/1007953136.db2.gz HKQAYIUIWUHOSL-OAQYLSRUSA-N 2 1 410.606 3.938 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000535937356 1007967604 /nfs/dbraw/zinc/96/76/04/1007967604.db2.gz NHTXERMVWYFAIG-KIFXHHALSA-N 2 1 412.622 3.660 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000535942444 1007975046 /nfs/dbraw/zinc/97/50/46/1007975046.db2.gz HYNGBNBQUMHIRC-GBXCKJPGSA-N 2 1 412.622 3.792 20 0 HHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000535943020 1007975714 /nfs/dbraw/zinc/97/57/14/1007975714.db2.gz JGWCXSQBEAQTLD-HYBUGGRVSA-N 2 1 412.622 3.934 20 0 HHADMP COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1OCc1ccccc1 ZINC000539823873 1008117902 /nfs/dbraw/zinc/11/79/02/1008117902.db2.gz WBXGSCQZIJEXML-ZJSXRUAMSA-N 2 1 423.601 3.732 20 0 HHADMP COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1OCc1ccccc1 ZINC000539823873 1008117912 /nfs/dbraw/zinc/11/79/12/1008117912.db2.gz WBXGSCQZIJEXML-ZJSXRUAMSA-N 2 1 423.601 3.732 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cnn(Cc4ccccc4)c3)CC2)CC1 ZINC000539823984 1008117971 /nfs/dbraw/zinc/11/79/71/1008117971.db2.gz RDICSDHOCVGWDI-UHFFFAOYSA-N 2 1 409.622 3.560 20 0 HHADMP CN(c1ccccc1C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000539833228 1008126629 /nfs/dbraw/zinc/12/66/29/1008126629.db2.gz RBJNMDJKJPIJAE-HXUWFJFHSA-N 2 1 414.638 3.591 20 0 HHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-n4cnc5ccccc54)cc3)C2)CC1 ZINC000539862561 1008147102 /nfs/dbraw/zinc/14/71/02/1008147102.db2.gz LUUSYOWDGPSAHP-HSZRJFAPSA-N 2 1 403.574 3.626 20 0 HHADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc(Br)s2)[C@H](c2ccccc2)C1 ZINC000518268178 1008234100 /nfs/dbraw/zinc/23/41/00/1008234100.db2.gz GMGYDIVMZDZBPD-SFHVURJKSA-N 2 1 408.409 3.979 20 0 HHADMP C[C@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000518389975 1008285750 /nfs/dbraw/zinc/28/57/50/1008285750.db2.gz LCLVZWLBUVBUSE-OFNKIYASSA-N 2 1 409.574 3.876 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000518403933 1008290850 /nfs/dbraw/zinc/29/08/50/1008290850.db2.gz ZOLRYPWHXBENQY-AGILITTLSA-N 2 1 406.574 3.786 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000518403933 1008290855 /nfs/dbraw/zinc/29/08/55/1008290855.db2.gz ZOLRYPWHXBENQY-AGILITTLSA-N 2 1 406.574 3.786 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000518403933 1008290859 /nfs/dbraw/zinc/29/08/59/1008290859.db2.gz ZOLRYPWHXBENQY-AGILITTLSA-N 2 1 406.574 3.786 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000518442598 1008308107 /nfs/dbraw/zinc/30/81/07/1008308107.db2.gz XQSGHYXNQVNWBF-OAQYLSRUSA-N 2 1 408.590 3.779 20 0 HHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CC(=O)N(C)[C@H]3c3ccc(F)c(F)c3)CC2)C1 ZINC000540141858 1008309508 /nfs/dbraw/zinc/30/95/08/1008309508.db2.gz VARMALGSQVPGGL-RSUPPKTMSA-N 2 1 405.533 3.869 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(F)c(Br)c2)[C@H](C)C1 ZINC000540143457 1008309970 /nfs/dbraw/zinc/30/99/70/1008309970.db2.gz GSQVUAXTQSFCIT-DNVCBOLYSA-N 2 1 401.364 3.857 20 0 HHADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000518451160 1008313014 /nfs/dbraw/zinc/31/30/14/1008313014.db2.gz OOVIZUKMBTZEOX-HBMCJLEFSA-N 2 1 400.611 3.696 20 0 HHADMP CCC[NH+]1CC[C@@H](CNC(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000518451160 1008313018 /nfs/dbraw/zinc/31/30/18/1008313018.db2.gz OOVIZUKMBTZEOX-HBMCJLEFSA-N 2 1 400.611 3.696 20 0 HHADMP CCC[NH+]1CC[C@@H](CNC(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000518451160 1008313022 /nfs/dbraw/zinc/31/30/22/1008313022.db2.gz OOVIZUKMBTZEOX-HBMCJLEFSA-N 2 1 400.611 3.696 20 0 HHADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)[C@H](C)C1 ZINC000540170155 1008320884 /nfs/dbraw/zinc/32/08/84/1008320884.db2.gz WKHRVFFDLVOOHE-HYBUGGRVSA-N 2 1 409.574 3.875 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)cc1 ZINC000540182036 1008325733 /nfs/dbraw/zinc/32/57/33/1008325733.db2.gz BDHSOIZXKFCVMF-GHTZIAJQSA-N 2 1 404.514 3.511 20 0 HHADMP Cc1cc(N2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c2cc(F)ccc2[nH+]1 ZINC000540206704 1008335645 /nfs/dbraw/zinc/33/56/45/1008335645.db2.gz YFVOZSLGHBDXRA-HDICACEKSA-N 2 1 401.526 3.777 20 0 HHADMP Cc1cc(N2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c2cc(F)ccc2[nH+]1 ZINC000540206704 1008335650 /nfs/dbraw/zinc/33/56/50/1008335650.db2.gz YFVOZSLGHBDXRA-HDICACEKSA-N 2 1 401.526 3.777 20 0 HHADMP COc1ccc(OC)c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000518573676 1008351380 /nfs/dbraw/zinc/35/13/80/1008351380.db2.gz XFFAMVACWKHJLO-QFIPXVFZSA-N 2 1 410.558 3.722 20 0 HHADMP COc1ccc(OC)c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000518573676 1008351383 /nfs/dbraw/zinc/35/13/83/1008351383.db2.gz XFFAMVACWKHJLO-QFIPXVFZSA-N 2 1 410.558 3.722 20 0 HHADMP C[NH+](C)[C@@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)c1ccccc1 ZINC000518733525 1008407679 /nfs/dbraw/zinc/40/76/79/1008407679.db2.gz DXZYNTLIZAXFJN-HSZRJFAPSA-N 2 1 408.546 3.743 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cc(C(=O)OC)oc2C)CC1 ZINC000540407937 1008420398 /nfs/dbraw/zinc/42/03/98/1008420398.db2.gz DMKPMXKFQWXMPZ-HNNXBMFYSA-N 2 1 403.498 3.506 20 0 HHADMP C[NH+]1CCC(CCNC(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1 ZINC000518861678 1008450494 /nfs/dbraw/zinc/45/04/94/1008450494.db2.gz VAYQJIVAVIRMTM-OAQYLSRUSA-N 2 1 407.002 3.726 20 0 HHADMP COc1ccccc1[C@H]1CC[N@@H+](CC(=O)N2CCC[NH+](Cc3ccc(C)cc3)CC2)C1 ZINC000540551003 1008477639 /nfs/dbraw/zinc/47/76/39/1008477639.db2.gz WDRGYGCCLDXHDN-QHCPKHFHSA-N 2 1 421.585 3.527 20 0 HHADMP COc1ccccc1[C@H]1CC[NH+](CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)C1 ZINC000540551003 1008477644 /nfs/dbraw/zinc/47/76/44/1008477644.db2.gz WDRGYGCCLDXHDN-QHCPKHFHSA-N 2 1 421.585 3.527 20 0 HHADMP COc1ccccc1[C@H]1CC[NH+](CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)C1 ZINC000540551003 1008477648 /nfs/dbraw/zinc/47/76/48/1008477648.db2.gz WDRGYGCCLDXHDN-QHCPKHFHSA-N 2 1 421.585 3.527 20 0 HHADMP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000519018496 1008502863 /nfs/dbraw/zinc/50/28/63/1008502863.db2.gz OYJZFTJFWILCNX-WIYYLYMNSA-N 2 1 414.619 3.877 20 0 HHADMP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000519018496 1008502866 /nfs/dbraw/zinc/50/28/66/1008502866.db2.gz OYJZFTJFWILCNX-WIYYLYMNSA-N 2 1 414.619 3.877 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000545473267 1008580605 /nfs/dbraw/zinc/58/06/05/1008580605.db2.gz DKRHGWPIVVFPKX-JOCHJYFZSA-N 2 1 411.933 3.751 20 0 HHADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000543020921 1008598821 /nfs/dbraw/zinc/59/88/21/1008598821.db2.gz JXACVNGTPYVCHL-HSZRJFAPSA-N 2 1 400.611 3.654 20 0 HHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000549164577 1008735247 /nfs/dbraw/zinc/73/52/47/1008735247.db2.gz ICQLCCQGZPKXQF-RDPSFJRHSA-N 2 1 407.558 3.798 20 0 HHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000549164577 1008735254 /nfs/dbraw/zinc/73/52/54/1008735254.db2.gz ICQLCCQGZPKXQF-RDPSFJRHSA-N 2 1 407.558 3.798 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccc(F)cc1 ZINC000519442947 1008819095 /nfs/dbraw/zinc/81/90/95/1008819095.db2.gz MPNHQPPARUKJMA-UGKGYDQZSA-N 2 1 401.501 3.596 20 0 HHADMP Cc1cccc([C@H]2CC[N@@H+](CC(=O)Nc3cccc(C[NH+]4CCSCC4)c3)C2)c1 ZINC000543254272 1008821716 /nfs/dbraw/zinc/82/17/16/1008821716.db2.gz VZPKKLFGRLOYCE-QFIPXVFZSA-N 2 1 409.599 3.972 20 0 HHADMP Cn1cc(-c2ccc(C[NH+]3CCN([C@H]4CC[N@H+](Cc5ccccc5)C4)CC3)s2)cn1 ZINC000519477319 1008852049 /nfs/dbraw/zinc/85/20/49/1008852049.db2.gz QPSIQKAHYWYSFV-QFIPXVFZSA-N 2 1 421.614 3.541 20 0 HHADMP Cn1cc(-c2ccc(C[NH+]3CCN([C@H]4CC[N@@H+](Cc5ccccc5)C4)CC3)s2)cn1 ZINC000519477319 1008852066 /nfs/dbraw/zinc/85/20/66/1008852066.db2.gz QPSIQKAHYWYSFV-QFIPXVFZSA-N 2 1 421.614 3.541 20 0 HHADMP CC1=CC[N@@H+](CCNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000545867438 1008956294 /nfs/dbraw/zinc/95/62/94/1008956294.db2.gz SWJPGFKOMCGWOG-UHFFFAOYSA-N 2 1 404.986 3.503 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000545907297 1008989736 /nfs/dbraw/zinc/98/97/36/1008989736.db2.gz BXSNFKJWBQLSGQ-QGZVFWFLSA-N 2 1 410.543 3.571 20 0 HHADMP Cc1cc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1Br ZINC000543458950 1009043582 /nfs/dbraw/zinc/04/35/82/1009043582.db2.gz LKDSESMVEAMZBW-JKSUJKDBSA-N 2 1 408.384 3.939 20 0 HHADMP Cc1cc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1Br ZINC000543458950 1009043597 /nfs/dbraw/zinc/04/35/97/1009043597.db2.gz LKDSESMVEAMZBW-JKSUJKDBSA-N 2 1 408.384 3.939 20 0 HHADMP C/C=C\c1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(OC)c1 ZINC000543463360 1009050874 /nfs/dbraw/zinc/05/08/74/1009050874.db2.gz KUBWUUJQIOGSQW-BFIGXIFHSA-N 2 1 402.579 3.711 20 0 HHADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)c2ccccc21 ZINC000549529219 1009139313 /nfs/dbraw/zinc/13/93/13/1009139313.db2.gz JRMQVTYKQKBRRH-DNQXCXABSA-N 2 1 408.542 3.790 20 0 HHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000549589718 1009216961 /nfs/dbraw/zinc/21/69/61/1009216961.db2.gz VNFCBHFJUBITAY-FCHUYYIVSA-N 2 1 400.611 3.803 20 0 HHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549589718 1009216975 /nfs/dbraw/zinc/21/69/75/1009216975.db2.gz VNFCBHFJUBITAY-FCHUYYIVSA-N 2 1 400.611 3.803 20 0 HHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549589718 1009216985 /nfs/dbraw/zinc/21/69/85/1009216985.db2.gz VNFCBHFJUBITAY-FCHUYYIVSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000520111929 1009267819 /nfs/dbraw/zinc/26/78/19/1009267819.db2.gz MMKWHELHIVQRSA-KCZVDYSFSA-N 2 1 403.586 3.912 20 0 HHADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000543683700 1009292885 /nfs/dbraw/zinc/29/28/85/1009292885.db2.gz CEGHVJVUQXVJBP-FYINFDKHSA-N 2 1 424.992 3.844 20 0 HHADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000543683699 1009292919 /nfs/dbraw/zinc/29/29/19/1009292919.db2.gz CEGHVJVUQXVJBP-FQELHTAISA-N 2 1 424.992 3.844 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000543687870 1009296314 /nfs/dbraw/zinc/29/63/14/1009296314.db2.gz PAEXTKSNIWRNKC-HVETUWLQSA-N 2 1 422.564 3.860 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000543687870 1009296328 /nfs/dbraw/zinc/29/63/28/1009296328.db2.gz PAEXTKSNIWRNKC-HVETUWLQSA-N 2 1 422.564 3.860 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000543812303 1009374597 /nfs/dbraw/zinc/37/45/97/1009374597.db2.gz BPNOBSWXIXJCDG-VQTJNVASSA-N 2 1 417.557 3.569 20 0 HHADMP CC(C)N1C(=O)C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000544014792 1009616676 /nfs/dbraw/zinc/61/66/76/1009616676.db2.gz NOULMCWEWUFWQN-UNMCSNQZSA-N 2 1 407.961 3.994 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000520578643 1009658507 /nfs/dbraw/zinc/65/85/07/1009658507.db2.gz VUOCDASTXJTOET-GGAORHGYSA-N 2 1 400.611 3.879 20 0 HHADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCN(C(=O)c3ccc(Br)cc3C)CC2)C1 ZINC000546873444 1009835668 /nfs/dbraw/zinc/83/56/68/1009835668.db2.gz XFKQHXADEPOKGN-QGZVFWFLSA-N 2 1 422.411 3.684 20 0 HHADMP COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000520974071 1010016364 /nfs/dbraw/zinc/01/63/64/1010016364.db2.gz QQCVJICOOFOLGE-LJQANCHMSA-N 2 1 420.557 3.988 20 0 HHADMP C[C@@H]([NH2+]CC(=O)NCc1ccc(F)cc1C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544420568 1010038619 /nfs/dbraw/zinc/03/86/19/1010038619.db2.gz IOJLRMDEHQTBJL-ZBFHGGJFSA-N 2 1 415.475 3.703 20 0 HHADMP C[C@@H]([NH2+]CC(=O)NCc1ccc(F)cc1C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544420568 1010038634 /nfs/dbraw/zinc/03/86/34/1010038634.db2.gz IOJLRMDEHQTBJL-ZBFHGGJFSA-N 2 1 415.475 3.703 20 0 HHADMP Cc1cnc([C@H]([NH2+][C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C2CC2)s1 ZINC000544421175 1010040343 /nfs/dbraw/zinc/04/03/43/1010040343.db2.gz ITMYQEOSOVVSFD-DYESRHJHSA-N 2 1 412.603 3.662 20 0 HHADMP Cc1cc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n(-c2ccc(C)cc2)n1 ZINC000544425238 1010047989 /nfs/dbraw/zinc/04/79/89/1010047989.db2.gz VAMOPRVCJHEAIF-WOJBJXKFSA-N 2 1 409.578 3.670 20 0 HHADMP Cc1cc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n(-c2ccc(C)cc2)n1 ZINC000544425238 1010048004 /nfs/dbraw/zinc/04/80/04/1010048004.db2.gz VAMOPRVCJHEAIF-WOJBJXKFSA-N 2 1 409.578 3.670 20 0 HHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2Br)C[C@H]1c1ccccc1 ZINC000550700185 1010110631 /nfs/dbraw/zinc/11/06/31/1010110631.db2.gz TYRYOGYELLILPZ-BJLQDIEVSA-N 2 1 419.363 3.614 20 0 HHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2Br)C[C@H]1c1ccccc1 ZINC000550700185 1010110639 /nfs/dbraw/zinc/11/06/39/1010110639.db2.gz TYRYOGYELLILPZ-BJLQDIEVSA-N 2 1 419.363 3.614 20 0 HHADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000544622804 1010247419 /nfs/dbraw/zinc/24/74/19/1010247419.db2.gz UEIJPOCTXQQMEZ-WOJBJXKFSA-N 2 1 400.611 3.790 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000551006382 1010312442 /nfs/dbraw/zinc/31/24/42/1010312442.db2.gz SKOYLVAHHFCDKP-ANJVHQHFSA-N 2 1 407.558 3.830 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000551006382 1010312453 /nfs/dbraw/zinc/31/24/53/1010312453.db2.gz SKOYLVAHHFCDKP-ANJVHQHFSA-N 2 1 407.558 3.830 20 0 HHADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1)c1ccc(C(=O)OC)cc1 ZINC000551005382 1010312567 /nfs/dbraw/zinc/31/25/67/1010312567.db2.gz KVNVOLXDKFEXAD-DEOSSOPVSA-N 2 1 409.574 3.852 20 0 HHADMP C[C@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547508241 1010333060 /nfs/dbraw/zinc/33/30/60/1010333060.db2.gz DOGLONPTPQVJMI-ZEYPLWLESA-N 2 1 419.548 3.899 20 0 HHADMP C[N@H+]1CC[C@H](Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C[C@@H]1c1ccccc1 ZINC000551130100 1010391002 /nfs/dbraw/zinc/39/10/02/1010391002.db2.gz RZLGOGZSZDXCSZ-BJKOFHAPSA-N 2 1 406.574 3.631 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)[NH+](C)C)cc1 ZINC000521485185 1010404340 /nfs/dbraw/zinc/40/43/40/1010404340.db2.gz DXWPNUWLMGHNIY-JXALWOEJSA-N 2 1 409.574 3.637 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)[NH+](C)C)cc1 ZINC000521485185 1010404349 /nfs/dbraw/zinc/40/43/49/1010404349.db2.gz DXWPNUWLMGHNIY-JXALWOEJSA-N 2 1 409.574 3.637 20 0 HHADMP C[C@H]([NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547827844 1010441309 /nfs/dbraw/zinc/44/13/09/1010441309.db2.gz IKFIANIAKSHWSE-HFSMHLIXSA-N 2 1 422.491 3.945 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)C1 ZINC000521687077 1010550852 /nfs/dbraw/zinc/55/08/52/1010550852.db2.gz IOTGQUPQGKBPSA-GOSISDBHSA-N 2 1 410.553 3.550 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)CC1 ZINC000548333732 1010597859 /nfs/dbraw/zinc/59/78/59/1010597859.db2.gz OMSUXBRBCOKNJM-DEOSSOPVSA-N 2 1 400.611 3.803 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000548333732 1010597865 /nfs/dbraw/zinc/59/78/65/1010597865.db2.gz OMSUXBRBCOKNJM-DEOSSOPVSA-N 2 1 400.611 3.803 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000548333732 1010597884 /nfs/dbraw/zinc/59/78/84/1010597884.db2.gz OMSUXBRBCOKNJM-DEOSSOPVSA-N 2 1 400.611 3.803 20 0 HHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000521770406 1010604974 /nfs/dbraw/zinc/60/49/74/1010604974.db2.gz CPPASIHKLUSUIY-GOTSBHOMSA-N 2 1 400.611 3.505 20 0 HHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000521770406 1010604980 /nfs/dbraw/zinc/60/49/80/1010604980.db2.gz CPPASIHKLUSUIY-GOTSBHOMSA-N 2 1 400.611 3.505 20 0 HHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000521770406 1010604987 /nfs/dbraw/zinc/60/49/87/1010604987.db2.gz CPPASIHKLUSUIY-GOTSBHOMSA-N 2 1 400.611 3.505 20 0 HHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(Cc1ccncc1)C[C@@H]1CCC[NH+]1CC ZINC000521785517 1010616909 /nfs/dbraw/zinc/61/69/09/1010616909.db2.gz NHOHERAYIKLXDA-PKTZIBPZSA-N 2 1 415.626 3.732 20 0 HHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@@H+]1CC ZINC000521785517 1010616914 /nfs/dbraw/zinc/61/69/14/1010616914.db2.gz NHOHERAYIKLXDA-PKTZIBPZSA-N 2 1 415.626 3.732 20 0 HHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC ZINC000521785517 1010616920 /nfs/dbraw/zinc/61/69/20/1010616920.db2.gz NHOHERAYIKLXDA-PKTZIBPZSA-N 2 1 415.626 3.732 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000521819296 1010639786 /nfs/dbraw/zinc/63/97/86/1010639786.db2.gz YSIZYACUKSKTNJ-SANMLTNESA-N 2 1 417.601 3.958 20 0 HHADMP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000521854926 1010664345 /nfs/dbraw/zinc/66/43/45/1010664345.db2.gz UEWQVOAQFCFAID-DEOSSOPVSA-N 2 1 412.622 3.995 20 0 HHADMP COc1ccc(C[C@@H](C)C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1F ZINC000545300366 1010720942 /nfs/dbraw/zinc/72/09/42/1010720942.db2.gz FINASHDPYPUSLL-XLIONFOSSA-N 2 1 405.583 3.653 20 0 HHADMP C[C@H]([NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548773960 1010727324 /nfs/dbraw/zinc/72/73/24/1010727324.db2.gz CHJOINPLCKEZMH-VIRINCGLSA-N 2 1 408.586 3.942 20 0 HHADMP C[C@@H](CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000545340142 1010737667 /nfs/dbraw/zinc/73/76/67/1010737667.db2.gz VEESFKLJWKKEIY-FQEVSTJZSA-N 2 1 400.611 3.628 20 0 HHADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)CC1 ZINC000548915040 1010758916 /nfs/dbraw/zinc/75/89/16/1010758916.db2.gz LDYJFHQITPAGEE-SFHVURJKSA-N 2 1 403.876 3.564 20 0 HHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000522029216 1010764612 /nfs/dbraw/zinc/76/46/12/1010764612.db2.gz OKIFZOMFCHWBHY-CTNGQTDRSA-N 2 1 414.619 3.780 20 0 HHADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000522029216 1010764625 /nfs/dbraw/zinc/76/46/25/1010764625.db2.gz OKIFZOMFCHWBHY-CTNGQTDRSA-N 2 1 414.619 3.780 20 0 HHADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000522029216 1010764630 /nfs/dbraw/zinc/76/46/30/1010764630.db2.gz OKIFZOMFCHWBHY-CTNGQTDRSA-N 2 1 414.619 3.780 20 0 HHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3cccc(OC(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000522035589 1010768660 /nfs/dbraw/zinc/76/86/60/1010768660.db2.gz AKOJYHKAHNHDQQ-CALCHBBNSA-N 2 1 416.484 3.675 20 0 HHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3cccc(OC(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000522035589 1010768664 /nfs/dbraw/zinc/76/86/64/1010768664.db2.gz AKOJYHKAHNHDQQ-CALCHBBNSA-N 2 1 416.484 3.675 20 0 HHADMP COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000548936243 1010768977 /nfs/dbraw/zinc/76/89/77/1010768977.db2.gz OQKONIQLRZLXNR-VWLOTQADSA-N 2 1 421.585 3.921 20 0 HHADMP COc1cccc([C@@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000548936243 1010768983 /nfs/dbraw/zinc/76/89/83/1010768983.db2.gz OQKONIQLRZLXNR-VWLOTQADSA-N 2 1 421.585 3.921 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000522276247 1010899896 /nfs/dbraw/zinc/89/98/96/1010899896.db2.gz WWJAVQHXIZELPN-VWLOTQADSA-N 2 1 420.601 3.923 20 0 HHADMP CC1CCC([NH+]2CCN(C(=O)NC[C@H]3CCC[N@@H+](Cc4cccs4)C3)CC2)CC1 ZINC000522421257 1010998494 /nfs/dbraw/zinc/99/84/94/1010998494.db2.gz RSCJVNVPKNZYMD-NYLDSWQDSA-N 2 1 418.651 3.866 20 0 HHADMP Cc1[nH+]ccn1CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522765195 1011203068 /nfs/dbraw/zinc/20/30/68/1011203068.db2.gz RZSAZJHINFMKQA-HKUYNNGSSA-N 2 1 423.483 3.593 20 0 HHADMP Cc1[nH+]ccn1CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522765195 1011203077 /nfs/dbraw/zinc/20/30/77/1011203077.db2.gz RZSAZJHINFMKQA-HKUYNNGSSA-N 2 1 423.483 3.593 20 0 HHADMP C[N@H+]1CC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@H]1c1ccccc1 ZINC000536159041 1011285268 /nfs/dbraw/zinc/28/52/68/1011285268.db2.gz YJYYJHZDWFXXQR-WNMCAHLPSA-N 2 1 418.585 3.927 20 0 HHADMP C[NH+]1CC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@H]1c1ccccc1 ZINC000536159041 1011285283 /nfs/dbraw/zinc/28/52/83/1011285283.db2.gz YJYYJHZDWFXXQR-WNMCAHLPSA-N 2 1 418.585 3.927 20 0 HHADMP C[NH+]1CC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H]1c1ccccc1 ZINC000536159041 1011285297 /nfs/dbraw/zinc/28/52/97/1011285297.db2.gz YJYYJHZDWFXXQR-WNMCAHLPSA-N 2 1 418.585 3.927 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540718837 1011369380 /nfs/dbraw/zinc/36/93/80/1011369380.db2.gz NSIBXGQHYGIFBB-NLCWTHGUSA-N 2 1 410.965 3.785 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540718837 1011369390 /nfs/dbraw/zinc/36/93/90/1011369390.db2.gz NSIBXGQHYGIFBB-NLCWTHGUSA-N 2 1 410.965 3.785 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540718837 1011369395 /nfs/dbraw/zinc/36/93/95/1011369395.db2.gz NSIBXGQHYGIFBB-NLCWTHGUSA-N 2 1 410.965 3.785 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540718837 1011369403 /nfs/dbraw/zinc/36/94/03/1011369403.db2.gz NSIBXGQHYGIFBB-NLCWTHGUSA-N 2 1 410.965 3.785 20 0 HHADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000540919304 1011586494 /nfs/dbraw/zinc/58/64/94/1011586494.db2.gz VRLHYACCAGWFNP-DUXKGJEZSA-N 2 1 404.986 3.603 20 0 HHADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000540919305 1011587002 /nfs/dbraw/zinc/58/70/02/1011587002.db2.gz VRLHYACCAGWFNP-IOMROCGXSA-N 2 1 404.986 3.603 20 0 HHADMP O=C1[C@H]([NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CCN1c1ccccc1F ZINC000536486717 1011699730 /nfs/dbraw/zinc/69/97/30/1011699730.db2.gz ULSXXMYZFPJKHB-HSZRJFAPSA-N 2 1 407.533 3.919 20 0 HHADMP O=C1[C@H]([NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCN1c1ccccc1F ZINC000536486717 1011699740 /nfs/dbraw/zinc/69/97/40/1011699740.db2.gz ULSXXMYZFPJKHB-HSZRJFAPSA-N 2 1 407.533 3.919 20 0 HHADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536494037 1011703025 /nfs/dbraw/zinc/70/30/25/1011703025.db2.gz VNBNORYOLQTBJO-QKLQHJQFSA-N 2 1 410.965 3.598 20 0 HHADMP C[N@H+]1CC=C(CNC(=O)N[C@@H]2CC[NH+](C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000541151447 1011811504 /nfs/dbraw/zinc/81/15/04/1011811504.db2.gz WZLQSUCPIQMDCD-UXHICEINSA-N 2 1 422.976 3.954 20 0 HHADMP C[N@@H+]1CC=C(CNC(=O)N[C@@H]2CC[NH+](C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000541151447 1011811518 /nfs/dbraw/zinc/81/15/18/1011811518.db2.gz WZLQSUCPIQMDCD-UXHICEINSA-N 2 1 422.976 3.954 20 0 HHADMP C[NH+]1CC=C(CNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000541151447 1011811533 /nfs/dbraw/zinc/81/15/33/1011811533.db2.gz WZLQSUCPIQMDCD-UXHICEINSA-N 2 1 422.976 3.954 20 0 HHADMP C[NH+]1CC=C(CNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000541151447 1011811549 /nfs/dbraw/zinc/81/15/49/1011811549.db2.gz WZLQSUCPIQMDCD-UXHICEINSA-N 2 1 422.976 3.954 20 0 HHADMP Cn1c2cc(Cl)ccc2nc1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000536666593 1011820231 /nfs/dbraw/zinc/82/02/31/1011820231.db2.gz NLPPQFWCODGJKO-UHFFFAOYSA-N 2 1 418.029 3.855 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3c[nH]nc3-c3ccccc3F)CC2)C[C@H](C)O1 ZINC000536709754 1011881630 /nfs/dbraw/zinc/88/16/30/1011881630.db2.gz NGHSBGSOHZQETI-HDICACEKSA-N 2 1 400.542 3.927 20 0 HHADMP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)cc2)cc1 ZINC000536851935 1012082528 /nfs/dbraw/zinc/08/25/28/1012082528.db2.gz MKBJQEIIFWTGIX-DCLXLUIPSA-N 2 1 409.574 3.873 20 0 HHADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000541480117 1012250862 /nfs/dbraw/zinc/25/08/62/1012250862.db2.gz IJEJGSPMDMMURN-LJQANCHMSA-N 2 1 413.393 3.741 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000541480117 1012250879 /nfs/dbraw/zinc/25/08/79/1012250879.db2.gz IJEJGSPMDMMURN-LJQANCHMSA-N 2 1 413.393 3.741 20 0 HHADMP COc1ccc(F)c(C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)c1 ZINC000552246619 1012257270 /nfs/dbraw/zinc/25/72/70/1012257270.db2.gz ZZSXFJROAMQJBU-UHFFFAOYSA-N 2 1 401.526 3.951 20 0 HHADMP COc1ccc(F)c(C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)c1 ZINC000552246619 1012257290 /nfs/dbraw/zinc/25/72/90/1012257290.db2.gz ZZSXFJROAMQJBU-UHFFFAOYSA-N 2 1 401.526 3.951 20 0 HHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC(N[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000552275959 1012289683 /nfs/dbraw/zinc/28/96/83/1012289683.db2.gz GJFQBCSQDFWQKK-KPJVPSPYSA-N 2 1 411.634 3.645 20 0 HHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000552275959 1012289704 /nfs/dbraw/zinc/28/97/04/1012289704.db2.gz GJFQBCSQDFWQKK-KPJVPSPYSA-N 3 1 411.634 3.645 20 0 HHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000552275959 1012289723 /nfs/dbraw/zinc/28/97/23/1012289723.db2.gz GJFQBCSQDFWQKK-KPJVPSPYSA-N 3 1 411.634 3.645 20 0 HHADMP C[C@H]([NH2+][C@@H](C)c1cccc(OC(F)F)c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537018242 1012322863 /nfs/dbraw/zinc/32/28/63/1012322863.db2.gz POIDSTNQEVAPJZ-ZWOKBUDYSA-N 2 1 417.500 3.718 20 0 HHADMP Cc1cc(Br)ccc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541598883 1012391099 /nfs/dbraw/zinc/39/10/99/1012391099.db2.gz DEOYWYJJPUKDKL-JKSUJKDBSA-N 2 1 408.384 3.939 20 0 HHADMP Cc1cc(Br)ccc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541598883 1012391119 /nfs/dbraw/zinc/39/11/19/1012391119.db2.gz DEOYWYJJPUKDKL-JKSUJKDBSA-N 2 1 408.384 3.939 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc(-c2c(F)cccc2F)n1 ZINC000523858618 1012555400 /nfs/dbraw/zinc/55/54/00/1012555400.db2.gz ULZZOGMNXBFASO-OAHLLOKOSA-N 2 1 422.545 3.576 20 0 HHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000523881496 1012582469 /nfs/dbraw/zinc/58/24/69/1012582469.db2.gz XMRXOKIKVMWJEN-SFHVURJKSA-N 2 1 406.640 3.770 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[NH+](C)C ZINC000523911656 1012630381 /nfs/dbraw/zinc/63/03/81/1012630381.db2.gz OCQWJVSFDPBZOH-WMZHIEFXSA-N 2 1 424.589 3.823 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)NCC2=CC[N@@H+](C)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000537271840 1012725149 /nfs/dbraw/zinc/72/51/49/1012725149.db2.gz CACOCYSTFFGXSX-UYAOXDASSA-N 2 1 424.511 3.649 20 0 HHADMP C[NH+]1CC=C(CNC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000537271840 1012725160 /nfs/dbraw/zinc/72/51/60/1012725160.db2.gz CACOCYSTFFGXSX-UYAOXDASSA-N 2 1 424.511 3.649 20 0 HHADMP C[NH+]1CC=C(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000537271840 1012725170 /nfs/dbraw/zinc/72/51/70/1012725170.db2.gz CACOCYSTFFGXSX-UYAOXDASSA-N 2 1 424.511 3.649 20 0 HHADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C12CCCCC2 ZINC000537295632 1012753646 /nfs/dbraw/zinc/75/36/46/1012753646.db2.gz NEYFVWLXEJKDLA-YTFSRNRJSA-N 2 1 413.606 3.601 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000541889035 1012756596 /nfs/dbraw/zinc/75/65/96/1012756596.db2.gz KTHFGKJKZJJUGZ-QTDJFWLRSA-N 2 1 407.602 3.776 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCC[C@@H]1CO ZINC000541917955 1012775930 /nfs/dbraw/zinc/77/59/30/1012775930.db2.gz IWYPUPGLARFMNX-QGDZQMKYSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000541917955 1012775941 /nfs/dbraw/zinc/77/59/41/1012775941.db2.gz IWYPUPGLARFMNX-QGDZQMKYSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000541917955 1012775955 /nfs/dbraw/zinc/77/59/55/1012775955.db2.gz IWYPUPGLARFMNX-QGDZQMKYSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000541917955 1012775970 /nfs/dbraw/zinc/77/59/70/1012775970.db2.gz IWYPUPGLARFMNX-QGDZQMKYSA-N 2 1 407.602 3.644 20 0 HHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000541917955 1012775984 /nfs/dbraw/zinc/77/59/84/1012775984.db2.gz IWYPUPGLARFMNX-QGDZQMKYSA-N 2 1 407.602 3.644 20 0 HHADMP CCOc1cc2[nH+]ccc(NCc3ccccc3C[N@H+]3CC[C@@H](O)C3)c2cc1OCC ZINC000541932996 1012793776 /nfs/dbraw/zinc/79/37/76/1012793776.db2.gz DHEGCGMUPZOZSR-HXUWFJFHSA-N 2 1 421.541 3.633 20 0 HHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(NC(=O)CC(C)C)cc3)CC2)CC1 ZINC000552919111 1012918655 /nfs/dbraw/zinc/91/86/55/1012918655.db2.gz PEGXIZVTCIXRNG-UHFFFAOYSA-N 2 1 414.594 3.806 20 0 HHADMP CCC[NH+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@@H+]2CCC)c(C)c1C ZINC000552954088 1012939830 /nfs/dbraw/zinc/93/98/30/1012939830.db2.gz VHZZOVUVNHAKDV-SZPZYZBQSA-N 2 1 414.594 3.929 20 0 HHADMP CCC[NH+]1CCC[C@@H]1C(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2CCC)c(C)c1C ZINC000552954088 1012939838 /nfs/dbraw/zinc/93/98/38/1012939838.db2.gz VHZZOVUVNHAKDV-SZPZYZBQSA-N 2 1 414.594 3.929 20 0 HHADMP CCC[NH+]1CCC[C@@H]1C(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@H+]2CCC)c(C)c1C ZINC000552954088 1012939859 /nfs/dbraw/zinc/93/98/59/1012939859.db2.gz VHZZOVUVNHAKDV-SZPZYZBQSA-N 2 1 414.594 3.929 20 0 HHADMP c1ccc(C[N@@H+]2CC[C@@H](c3nc(-c4ccc(C[NH+]5CCOCC5)cc4)no3)C2)cc1 ZINC000904512889 1071784863 /nfs/dbraw/zinc/78/48/63/1071784863.db2.gz BHBRMPAVHOUKQO-JOCHJYFZSA-N 2 1 404.514 3.558 20 0 HHADMP c1ccc(C[N@H+]2CC[C@@H](c3nc(-c4ccc(C[NH+]5CCOCC5)cc4)no3)C2)cc1 ZINC000904512889 1071784876 /nfs/dbraw/zinc/78/48/76/1071784876.db2.gz BHBRMPAVHOUKQO-JOCHJYFZSA-N 2 1 404.514 3.558 20 0 HHADMP CC[N@H+]1CC[C@H]1CNC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001687421520 1071903621 /nfs/dbraw/zinc/90/36/21/1071903621.db2.gz LYJLUPDZJHCQLZ-BJKOFHAPSA-N 2 1 412.622 3.947 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)Cn1c[nH+]c2c1CCCC2)c1ccc(C(F)(F)F)cc1 ZINC000569743375 1072043814 /nfs/dbraw/zinc/04/38/14/1072043814.db2.gz YPQUACAKXNWQCM-HXUWFJFHSA-N 2 1 422.495 3.980 20 0 HHADMP Cc1c(F)cccc1NC(=O)CC[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000569776941 1072048110 /nfs/dbraw/zinc/04/81/10/1072048110.db2.gz MNCUPMLKSUPZTQ-HDICACEKSA-N 2 1 413.537 3.862 20 0 HHADMP CCOc1cc2[nH+]ccc(N3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)c2cc1OCC ZINC000488206850 1072126953 /nfs/dbraw/zinc/12/69/53/1072126953.db2.gz AHBMNPQQHKYQLY-IBGZPJMESA-N 2 1 412.578 3.639 20 0 HHADMP C[NH+]1CCC(CNC(=S)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1 ZINC000760488039 1072388987 /nfs/dbraw/zinc/38/89/87/1072388987.db2.gz WHFBUOPAZWCFPS-HXUWFJFHSA-N 2 1 409.043 3.500 20 0 HHADMP O=C(NCC[NH+]1Cc2ccccc2C1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000586870578 1072494802 /nfs/dbraw/zinc/49/48/02/1072494802.db2.gz MTAWXSIWOVXZOG-UHFFFAOYSA-N 2 1 406.574 3.878 20 0 HHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cc(F)c(Br)c(F)c2)no1 ZINC001212144788 1072517932 /nfs/dbraw/zinc/51/79/32/1072517932.db2.gz CSOADMVIRUXEFY-ZDUSSCGKSA-N 2 1 403.271 3.945 20 0 HHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccccc2CN2CCSC2=O)no1 ZINC001212144925 1072525463 /nfs/dbraw/zinc/52/54/63/1072525463.db2.gz HJOCZJVKTOPOOW-KRWDZBQOSA-N 2 1 403.552 3.574 20 0 HHADMP CC(C)(C)OC(=O)N1CCC(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000760657730 1072537364 /nfs/dbraw/zinc/53/73/64/1072537364.db2.gz RGSFTWFQMRDUQK-UHFFFAOYSA-N 2 1 401.595 3.930 20 0 HHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]CC3CCN(C(=O)OC(C)(C)C)CC3)c2)CCO1 ZINC000760664058 1072571567 /nfs/dbraw/zinc/57/15/67/1072571567.db2.gz RJFYIXNEFPUXIH-LJQANCHMSA-N 2 1 417.594 3.644 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]CC3CCN(C(=O)OC(C)(C)C)CC3)c2)CCO1 ZINC000760664058 1072571577 /nfs/dbraw/zinc/57/15/77/1072571577.db2.gz RJFYIXNEFPUXIH-LJQANCHMSA-N 2 1 417.594 3.644 20 0 HHADMP Cc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c(-c2cnn(C)c2)c1 ZINC000554910391 1072957637 /nfs/dbraw/zinc/95/76/37/1072957637.db2.gz IOMPFTHGGKVBOR-HXUWFJFHSA-N 2 1 404.558 3.906 20 0 HHADMP Cc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c(-c2cnn(C)c2)c1 ZINC000554910391 1072957641 /nfs/dbraw/zinc/95/76/41/1072957641.db2.gz IOMPFTHGGKVBOR-HXUWFJFHSA-N 2 1 404.558 3.906 20 0 HHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](CC(=O)Nc3ccccc3C(C)(C)C)CC2)C[C@H](C)O1 ZINC000588710096 1073155501 /nfs/dbraw/zinc/15/55/01/1073155501.db2.gz QAMYOWADXUBPHP-KDURUIRLSA-N 2 1 401.595 3.744 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](CC(=O)Nc3ccccc3C(C)(C)C)CC2)C[C@H](C)O1 ZINC000588710096 1073155504 /nfs/dbraw/zinc/15/55/04/1073155504.db2.gz QAMYOWADXUBPHP-KDURUIRLSA-N 2 1 401.595 3.744 20 0 HHADMP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588711293 1073156493 /nfs/dbraw/zinc/15/64/93/1073156493.db2.gz NMAFMOFRLFDURS-HSALFYBXSA-N 2 1 415.622 3.960 20 0 HHADMP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588711293 1073156500 /nfs/dbraw/zinc/15/65/00/1073156500.db2.gz NMAFMOFRLFDURS-HSALFYBXSA-N 2 1 415.622 3.960 20 0 HHADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)C1 ZINC000555146081 1073198541 /nfs/dbraw/zinc/19/85/41/1073198541.db2.gz XRFIWWNDXATVLF-IBGZPJMESA-N 2 1 401.599 3.690 20 0 HHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)C1 ZINC000555146081 1073198544 /nfs/dbraw/zinc/19/85/44/1073198544.db2.gz XRFIWWNDXATVLF-IBGZPJMESA-N 2 1 401.599 3.690 20 0 HHADMP COCCC[NH+]1CCC(Nc2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)CC1 ZINC000588898115 1073317608 /nfs/dbraw/zinc/31/76/08/1073317608.db2.gz WGOKYIZABQOKJO-UHFFFAOYSA-N 2 1 417.623 3.817 20 0 HHADMP C[C@H](c1ccc(F)cc1)N1CC[C@H](N2CCC[C@@H](c3ncc4n3CCCC4)C2)C1=O ZINC000555501246 1073564949 /nfs/dbraw/zinc/56/49/49/1073564949.db2.gz JDGIXDAHEXLJNM-JUXOCIIHSA-N 2 1 410.537 3.900 20 0 HHADMP O=C(c1ccccc1)N1CC[C@H](C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000555523942 1073597061 /nfs/dbraw/zinc/59/70/61/1073597061.db2.gz AHQGKAPJMZDXMZ-ZEQKJWHPSA-N 2 1 403.570 3.747 20 0 HHADMP O=C(c1ccccc1)N1CC[C@H](C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000555523942 1073597069 /nfs/dbraw/zinc/59/70/69/1073597069.db2.gz AHQGKAPJMZDXMZ-ZEQKJWHPSA-N 2 1 403.570 3.747 20 0 HHADMP O=C(c1ccccc1)N1CC[C@H](C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000555523942 1073597079 /nfs/dbraw/zinc/59/70/79/1073597079.db2.gz AHQGKAPJMZDXMZ-ZEQKJWHPSA-N 2 1 403.570 3.747 20 0 HHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000555597337 1073662086 /nfs/dbraw/zinc/66/20/86/1073662086.db2.gz FHNSVRDOGMZNPS-LGPLSSKUSA-N 2 1 408.586 3.880 20 0 HHADMP Cc1ccccc1[C@H](OC[C@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000555597337 1073662089 /nfs/dbraw/zinc/66/20/89/1073662089.db2.gz FHNSVRDOGMZNPS-LGPLSSKUSA-N 2 1 408.586 3.880 20 0 HHADMP Cc1ccccc1[C@H](OC[C@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000555597337 1073662096 /nfs/dbraw/zinc/66/20/96/1073662096.db2.gz FHNSVRDOGMZNPS-LGPLSSKUSA-N 2 1 408.586 3.880 20 0 HHADMP Cc1ccccc1[C@H](OC[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000555597335 1073662330 /nfs/dbraw/zinc/66/23/30/1073662330.db2.gz FHNSVRDOGMZNPS-DMDYGQEQSA-N 2 1 408.586 3.880 20 0 HHADMP Cc1ccccc1[C@H](OC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000555597335 1073662336 /nfs/dbraw/zinc/66/23/36/1073662336.db2.gz FHNSVRDOGMZNPS-DMDYGQEQSA-N 2 1 408.586 3.880 20 0 HHADMP Cc1ccccc1[C@H](OC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000555597335 1073662338 /nfs/dbraw/zinc/66/23/38/1073662338.db2.gz FHNSVRDOGMZNPS-DMDYGQEQSA-N 2 1 408.586 3.880 20 0 HHADMP CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC[N@H+](C(C)(C)C)CC3)c2)CC1 ZINC000590353051 1073756955 /nfs/dbraw/zinc/75/69/55/1073756955.db2.gz FWIPSLLWSUMPBF-UHFFFAOYSA-N 2 1 400.611 3.934 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2OCC[NH+]2CCCC[C@@H]2C)C1 ZINC000591100113 1074116480 /nfs/dbraw/zinc/11/64/80/1074116480.db2.gz LNTQWJJCZPMSAL-SFTDATJTSA-N 2 1 401.595 3.790 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000591100113 1074116484 /nfs/dbraw/zinc/11/64/84/1074116484.db2.gz LNTQWJJCZPMSAL-SFTDATJTSA-N 2 1 401.595 3.790 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000591100113 1074116485 /nfs/dbraw/zinc/11/64/85/1074116485.db2.gz LNTQWJJCZPMSAL-SFTDATJTSA-N 2 1 401.595 3.790 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)C1 ZINC000591554619 1074404121 /nfs/dbraw/zinc/40/41/21/1074404121.db2.gz AYRFBQCSULRWQS-RTWAWAEBSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000591554619 1074404125 /nfs/dbraw/zinc/40/41/25/1074404125.db2.gz AYRFBQCSULRWQS-RTWAWAEBSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000591554619 1074404129 /nfs/dbraw/zinc/40/41/29/1074404129.db2.gz AYRFBQCSULRWQS-RTWAWAEBSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)C1 ZINC000591617444 1074444059 /nfs/dbraw/zinc/44/40/59/1074444059.db2.gz QZAHRHQJHBKFTO-QHCPKHFHSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000591617444 1074444063 /nfs/dbraw/zinc/44/40/63/1074444063.db2.gz QZAHRHQJHBKFTO-QHCPKHFHSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000591617444 1074444066 /nfs/dbraw/zinc/44/40/66/1074444066.db2.gz QZAHRHQJHBKFTO-QHCPKHFHSA-N 2 1 400.611 3.660 20 0 HHADMP CC[NH+](CC)CCC[N@H+](CC)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000573487002 1074524901 /nfs/dbraw/zinc/52/49/01/1074524901.db2.gz DNEOAARJKFOZQY-UHFFFAOYSA-N 2 1 400.567 3.802 20 0 HHADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000573487002 1074524905 /nfs/dbraw/zinc/52/49/05/1074524905.db2.gz DNEOAARJKFOZQY-UHFFFAOYSA-N 2 1 400.567 3.802 20 0 HHADMP O=C(C[N@H+]1CCC[C@H](Cc2ccccc2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000592322995 1074715400 /nfs/dbraw/zinc/71/54/00/1074715400.db2.gz GNGLZXXHPGEEAK-RUZDIDTESA-N 2 1 405.586 3.853 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000574101984 1075167296 /nfs/dbraw/zinc/16/72/96/1075167296.db2.gz RWKHMKCEABRFFP-UFOFSCLASA-N 2 1 408.586 3.942 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000594966308 1075388237 /nfs/dbraw/zinc/38/82/37/1075388237.db2.gz LZLOHKLYMPSOIY-YADHBBJMSA-N 2 1 424.614 3.631 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000594966308 1075388241 /nfs/dbraw/zinc/38/82/41/1075388241.db2.gz LZLOHKLYMPSOIY-YADHBBJMSA-N 2 1 424.614 3.631 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000594966308 1075388244 /nfs/dbraw/zinc/38/82/44/1075388244.db2.gz LZLOHKLYMPSOIY-YADHBBJMSA-N 2 1 424.614 3.631 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000594966308 1075388247 /nfs/dbraw/zinc/38/82/47/1075388247.db2.gz LZLOHKLYMPSOIY-YADHBBJMSA-N 2 1 424.614 3.631 20 0 HHADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000597205400 1075633944 /nfs/dbraw/zinc/63/39/44/1075633944.db2.gz TYPCWQWUYFHPGG-RTWAWAEBSA-N 2 1 402.583 3.760 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N(CC[NH+](C)C)CC3CCCCC3)CC2)cs1 ZINC000597716480 1075696772 /nfs/dbraw/zinc/69/67/72/1075696772.db2.gz NBJNUKAJSRPREV-UHFFFAOYSA-N 2 1 406.640 3.634 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000597886122 1075724419 /nfs/dbraw/zinc/72/44/19/1075724419.db2.gz NLYICHZNBUWONR-JWQCQUIFSA-N 2 1 420.601 3.807 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000597886122 1075724424 /nfs/dbraw/zinc/72/44/24/1075724424.db2.gz NLYICHZNBUWONR-JWQCQUIFSA-N 2 1 420.601 3.807 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000597886122 1075724429 /nfs/dbraw/zinc/72/44/29/1075724429.db2.gz NLYICHZNBUWONR-JWQCQUIFSA-N 2 1 420.601 3.807 20 0 HHADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC(F)(C[NH3+])CC4)c23)C1 ZINC001164386860 718813298 /nfs/dbraw/zinc/81/32/98/718813298.db2.gz BEGRQWLAJZRPFF-HNNXBMFYSA-N 2 1 417.598 3.679 20 0 HHADMP C[N@@H+](Cc1ccc(N(c2cccc(F)c2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nc1)C1CC1 ZINC001164646398 719297328 /nfs/dbraw/zinc/29/73/28/719297328.db2.gz BEERFEIBVOXOEW-VWNXMTODSA-N 2 1 410.537 3.864 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2nc(Cl)c3ccccc3n2)c2c1CC[NH2+]C2 ZINC001164685180 719606014 /nfs/dbraw/zinc/60/60/14/719606014.db2.gz SJFNXWKAXLMJGK-UHFFFAOYSA-N 2 1 420.895 3.563 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2nc(Cl)c3ccccc3n2)c2c1CC[NH2+]C2 ZINC001164685180 719606020 /nfs/dbraw/zinc/60/60/20/719606020.db2.gz SJFNXWKAXLMJGK-UHFFFAOYSA-N 2 1 420.895 3.563 20 0 HHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N3CCCC3)cc[nH+]1)CC2 ZINC001164713049 720129229 /nfs/dbraw/zinc/12/92/29/720129229.db2.gz PNIWFSAKQIHASK-HSZRJFAPSA-N 2 1 421.589 3.584 20 0 HHADMP CC(C)(C)N(c1nc(Cl)ccc1C[NH+]1CCCC1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001164734630 720545373 /nfs/dbraw/zinc/54/53/73/720545373.db2.gz JOKOPLAAGLHJSK-SFHVURJKSA-N 2 1 407.002 3.847 20 0 HHADMP Cc1cccc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164744794 720853667 /nfs/dbraw/zinc/85/36/67/720853667.db2.gz CJXDDPKQPMYKSA-FDFHNCONSA-N 2 1 402.546 3.514 20 0 HHADMP Cc1cccc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164744794 720853668 /nfs/dbraw/zinc/85/36/68/720853668.db2.gz CJXDDPKQPMYKSA-FDFHNCONSA-N 2 1 402.546 3.514 20 0 HHADMP Cc1cc(C)[nH+]c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164754499 720871320 /nfs/dbraw/zinc/87/13/20/720871320.db2.gz RYJDYAAFBJLMHS-UKILVPOCSA-N 2 1 406.574 3.849 20 0 HHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CC[NH+](Cc4cnn(C)c4)C[C@@H]3C2)nc1 ZINC001164768937 721235045 /nfs/dbraw/zinc/23/50/45/721235045.db2.gz YUWXLPHKBZPGLN-RBZQAINGSA-N 2 1 422.621 3.710 20 0 HHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1 ZINC001164768937 721235053 /nfs/dbraw/zinc/23/50/53/721235053.db2.gz YUWXLPHKBZPGLN-RBZQAINGSA-N 2 1 422.621 3.710 20 0 HHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1 ZINC001164768937 721235064 /nfs/dbraw/zinc/23/50/64/721235064.db2.gz YUWXLPHKBZPGLN-RBZQAINGSA-N 2 1 422.621 3.710 20 0 HHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]c(C)cc3[nH]ccc31)CC2 ZINC001164782767 721461514 /nfs/dbraw/zinc/46/15/14/721461514.db2.gz BQIKOLBWBQLVQZ-HXUWFJFHSA-N 2 1 412.578 3.605 20 0 HHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3[nH]ccc3c(C)[nH+]1)CC2 ZINC001164786697 721464678 /nfs/dbraw/zinc/46/46/78/721464678.db2.gz PFJJHIWTYUYCDC-FQEVSTJZSA-N 2 1 412.578 3.605 20 0 HHADMP Cc1cc(N2CCCC2)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]1 ZINC001165023328 721798181 /nfs/dbraw/zinc/79/81/81/721798181.db2.gz JMVKOGLXRJVCGQ-BVSLBCMMSA-N 2 1 406.578 3.517 20 0 HHADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(N5CCCC5)cc[nH+]4)CC3)C2)cc1 ZINC001164939152 721929194 /nfs/dbraw/zinc/92/91/94/721929194.db2.gz JKJJWOJTQAJZAK-UHFFFAOYSA-N 2 1 406.574 3.862 20 0 HHADMP COc1ccc2c(cc[nH+]c2N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164958860 722054060 /nfs/dbraw/zinc/05/40/60/722054060.db2.gz HBMSCMHCCDWWDU-UHFFFAOYSA-N 2 1 418.541 3.757 20 0 HHADMP COc1ccc2c(cc[nH+]c2N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001164958860 722054061 /nfs/dbraw/zinc/05/40/61/722054061.db2.gz HBMSCMHCCDWWDU-UHFFFAOYSA-N 2 1 418.541 3.757 20 0 HHADMP O=C(NCCC[NH+]1CCCC1)C1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000301362573 970887793 /nfs/dbraw/zinc/88/77/93/970887793.db2.gz MKSQOOHGBSKWQI-UHFFFAOYSA-N 2 1 400.954 3.707 20 0 HHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000537536124 1013052138 /nfs/dbraw/zinc/05/21/38/1013052138.db2.gz KCJNVQOUENDAHU-UHFFFAOYSA-N 2 1 411.468 3.940 20 0 HHADMP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000542135980 1013068617 /nfs/dbraw/zinc/06/86/17/1013068617.db2.gz WTXNHQYKUPJBJA-YDHSSHFGSA-N 2 1 423.557 3.691 20 0 HHADMP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000542135980 1013068632 /nfs/dbraw/zinc/06/86/32/1013068632.db2.gz WTXNHQYKUPJBJA-YDHSSHFGSA-N 2 1 423.557 3.691 20 0 HHADMP CCC[N@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)C1 ZINC000303011472 971452927 /nfs/dbraw/zinc/45/29/27/971452927.db2.gz OUWUOBACPOXMOY-TXTKFYIRSA-N 2 1 400.611 3.696 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000303211863 971563455 /nfs/dbraw/zinc/56/34/55/971563455.db2.gz OYFXEGAYAGWFKM-ZDXQCDESSA-N 2 1 414.638 3.608 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000303211863 971563460 /nfs/dbraw/zinc/56/34/60/971563460.db2.gz OYFXEGAYAGWFKM-ZDXQCDESSA-N 2 1 414.638 3.608 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000303211863 971563466 /nfs/dbraw/zinc/56/34/66/971563466.db2.gz OYFXEGAYAGWFKM-ZDXQCDESSA-N 2 1 414.638 3.608 20 0 HHADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)CC1 ZINC000542161570 1013097449 /nfs/dbraw/zinc/09/74/49/1013097449.db2.gz TZPLSJSYNZNEQK-SFHVURJKSA-N 2 1 410.002 3.556 20 0 HHADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000303424380 971705530 /nfs/dbraw/zinc/70/55/30/971705530.db2.gz AGTCAPCKCPJKHP-WVUPVLJSSA-N 2 1 422.573 3.911 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000303505256 971804971 /nfs/dbraw/zinc/80/49/71/971804971.db2.gz VRFQEVVIGOQEEW-CWAQXLGLSA-N 2 1 412.622 3.993 20 0 HHADMP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CCc2ccccc2C1 ZINC000303588177 971880622 /nfs/dbraw/zinc/88/06/22/971880622.db2.gz RCQULTZANLUMHN-QHCPKHFHSA-N 2 1 409.599 3.663 20 0 HHADMP CCCCOc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1OCC ZINC000537619739 1013162315 /nfs/dbraw/zinc/16/23/15/1013162315.db2.gz JSRQZSMYOZKFQQ-UNMCSNQZSA-N 2 1 403.611 3.722 20 0 HHADMP CCCCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1OCC ZINC000537619739 1013162321 /nfs/dbraw/zinc/16/23/21/1013162321.db2.gz JSRQZSMYOZKFQQ-UNMCSNQZSA-N 2 1 403.611 3.722 20 0 HHADMP CN(C)C(=O)COc1ccccc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000537630357 1013184040 /nfs/dbraw/zinc/18/40/40/1013184040.db2.gz QWNVPYIBNQELOS-AREMUKBSSA-N 2 1 421.585 3.642 20 0 HHADMP CN(C)C(=O)COc1ccccc1C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000537630357 1013184043 /nfs/dbraw/zinc/18/40/43/1013184043.db2.gz QWNVPYIBNQELOS-AREMUKBSSA-N 2 1 421.585 3.642 20 0 HHADMP CN(C)C(=O)COc1ccccc1C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000537630357 1013184048 /nfs/dbraw/zinc/18/40/48/1013184048.db2.gz QWNVPYIBNQELOS-AREMUKBSSA-N 2 1 421.585 3.642 20 0 HHADMP CN(C)C(=O)COc1ccccc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000537630357 1013184052 /nfs/dbraw/zinc/18/40/52/1013184052.db2.gz QWNVPYIBNQELOS-AREMUKBSSA-N 2 1 421.585 3.642 20 0 HHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000537649381 1013210761 /nfs/dbraw/zinc/21/07/61/1013210761.db2.gz JSRQZANKYSIBTO-DEOSSOPVSA-N 2 1 419.573 3.867 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)cc1 ZINC000542252283 1013212561 /nfs/dbraw/zinc/21/25/61/1013212561.db2.gz BNZQWYPRNJIBKY-XOBRGWDASA-N 2 1 416.447 3.947 20 0 HHADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccccc3OCc3cccnc3)CC2)CC1 ZINC000537662018 1013222965 /nfs/dbraw/zinc/22/29/65/1013222965.db2.gz ZSPIQHAWCITKHJ-UHFFFAOYSA-N 2 1 408.590 3.651 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)cc2)C1 ZINC000553314363 1013267534 /nfs/dbraw/zinc/26/75/34/1013267534.db2.gz IKXLSKFPLJGEPS-AUSIDOKSSA-N 2 1 415.647 3.752 20 0 HHADMP Cc1ccc([C@@H]2CC[N@H+]([C@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000542316193 1013272611 /nfs/dbraw/zinc/27/26/11/1013272611.db2.gz PXOVGQLMDAAJSR-ZJSXRUAMSA-N 2 1 405.586 3.954 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000537733272 1013294554 /nfs/dbraw/zinc/29/45/54/1013294554.db2.gz KPNKXXZAZMVEEB-NLFFAJNJSA-N 2 1 421.585 3.526 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000542395497 1013349067 /nfs/dbraw/zinc/34/90/67/1013349067.db2.gz XVKXJCWWTPWYGC-UBFVSLLYSA-N 2 1 421.585 3.642 20 0 HHADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537812354 1013375185 /nfs/dbraw/zinc/37/51/85/1013375185.db2.gz SBZZIXGMPJRYAH-QHCPKHFHSA-N 2 1 421.589 3.604 20 0 HHADMP C[N@@H+](CCCCN1C(=O)c2ccccc2C1=O)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537845156 1013408904 /nfs/dbraw/zinc/40/89/04/1013408904.db2.gz GBRPJYTUTAVSDP-UHFFFAOYSA-N 2 1 420.557 3.696 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000553513598 1013413462 /nfs/dbraw/zinc/41/34/62/1013413462.db2.gz LIXLYYZKAJEYNK-DENIHFKCSA-N 2 1 407.668 3.707 20 0 HHADMP C[C@H](CCNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000537875856 1013452093 /nfs/dbraw/zinc/45/20/93/1013452093.db2.gz QDFNGEGZNRQOBL-HXUWFJFHSA-N 2 1 409.578 3.508 20 0 HHADMP C[C@@H](CCNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000537875855 1013452229 /nfs/dbraw/zinc/45/22/29/1013452229.db2.gz QDFNGEGZNRQOBL-FQEVSTJZSA-N 2 1 409.578 3.508 20 0 HHADMP CCC[C@H]1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000553555724 1013452920 /nfs/dbraw/zinc/45/29/20/1013452920.db2.gz AVTWULYFWLKBQE-GOTSBHOMSA-N 2 1 415.647 3.717 20 0 HHADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1OC ZINC000048816606 964065313 /nfs/dbraw/zinc/06/53/13/964065313.db2.gz YXSDZKPMZXXQLV-HDICACEKSA-N 2 1 414.546 3.611 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)C[C@@H](C)O1 ZINC000024964240 964125878 /nfs/dbraw/zinc/12/58/78/964125878.db2.gz RUGFQYKXQIEZRW-NHCUHLMSSA-N 2 1 421.585 3.690 20 0 HHADMP C[C@H]([NH2+]CC(=O)NCc1ccccc1OC1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542531688 1013474033 /nfs/dbraw/zinc/47/40/33/1013474033.db2.gz FCOKOAUCGABATD-FPOVZHCZSA-N 2 1 413.606 3.867 20 0 HHADMP C[C@H]([NH2+]CC(=O)NCc1ccccc1OC1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542531688 1013474037 /nfs/dbraw/zinc/47/40/37/1013474037.db2.gz FCOKOAUCGABATD-FPOVZHCZSA-N 2 1 413.606 3.867 20 0 HHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cc(Br)ccc2F)c2cccs2)CC1 ZINC000025362110 964252249 /nfs/dbraw/zinc/25/22/49/964252249.db2.gz YKKBKKHDKLOGCC-QGZVFWFLSA-N 2 1 412.372 3.728 20 0 HHADMP COc1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)ccc1OCC(=O)N(C)C ZINC000537917169 1013502142 /nfs/dbraw/zinc/50/21/42/1013502142.db2.gz KHXHWLFHGDSILR-KRWDZBQOSA-N 2 1 422.529 3.507 20 0 HHADMP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)ccn1 ZINC000537945134 1013528434 /nfs/dbraw/zinc/52/84/34/1013528434.db2.gz BFUHBLRJZRHIEJ-QGZVFWFLSA-N 2 1 408.315 3.701 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCN(c3nc4ccccc4s3)CC2)[C@H](C)C1 ZINC000537959021 1013538596 /nfs/dbraw/zinc/53/85/96/1013538596.db2.gz QYSMMJVAEBNPMH-QUCCMNQESA-N 2 1 416.635 3.992 20 0 HHADMP Cn1cc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000028323610 965075056 /nfs/dbraw/zinc/07/50/56/965075056.db2.gz XYDWDWUOEINPME-UHFFFAOYSA-N 2 1 420.557 3.860 20 0 HHADMP NC(=O)c1ccc(-c2nc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)cs2)cc1 ZINC000053609155 965229315 /nfs/dbraw/zinc/22/93/15/965229315.db2.gz FZKDMJWLTRINGV-UHFFFAOYSA-N 2 1 412.603 3.997 20 0 HHADMP COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)c2)cc1 ZINC000537979301 1013555337 /nfs/dbraw/zinc/55/53/37/1013555337.db2.gz AMRQBCDTIVCDTR-IEGUWTFLSA-N 2 1 411.546 3.645 20 0 HHADMP CC1CC[NH+](Cc2ccc(NC(=O)C3CC[NH+](Cc4nccn4C)CC3)cc2)CC1 ZINC000053619236 965231343 /nfs/dbraw/zinc/23/13/43/965231343.db2.gz UNMIAHZMVVPYEO-UHFFFAOYSA-N 2 1 409.578 3.503 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)CCCOc1ccccc1 ZINC000029855571 965528109 /nfs/dbraw/zinc/52/81/09/965528109.db2.gz ZQCJNWQCUUMFML-NRFANRHFSA-N 2 1 409.574 3.557 20 0 HHADMP Cc1ccc(C)c(OCCC[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000538044551 1013616972 /nfs/dbraw/zinc/61/69/72/1013616972.db2.gz BEORSRJVJHIBSV-VXKWHMMOSA-N 2 1 404.595 3.663 20 0 HHADMP Cc1cccc(C)c1OCCC[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000538044889 1013618082 /nfs/dbraw/zinc/61/80/82/1013618082.db2.gz IVXGHEJNDFLPJV-FGZHOGPDSA-N 2 1 404.595 3.663 20 0 HHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000538058378 1013635002 /nfs/dbraw/zinc/63/50/02/1013635002.db2.gz AIDKONYGMWQVMI-OTWHNJEPSA-N 2 1 415.603 3.663 20 0 HHADMP CC[C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000061142087 966380315 /nfs/dbraw/zinc/38/03/15/966380315.db2.gz ZKRJWCNMMXDGMF-YADHBBJMSA-N 2 1 410.562 3.553 20 0 HHADMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)COc1ccc(Cl)c(Cl)c1 ZINC000033633291 966411888 /nfs/dbraw/zinc/41/18/88/966411888.db2.gz OAEQULKTQGWFHI-SFHVURJKSA-N 2 1 409.357 3.987 20 0 HHADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000061553466 966499236 /nfs/dbraw/zinc/49/92/36/966499236.db2.gz NMBJGMWCTKKHAT-UHFFFAOYSA-N 2 1 420.601 3.920 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000061792241 966556875 /nfs/dbraw/zinc/55/68/75/966556875.db2.gz VIYGHTADHCBHQF-HXUWFJFHSA-N 2 1 418.651 3.912 20 0 HHADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000062505254 966693465 /nfs/dbraw/zinc/69/34/65/966693465.db2.gz UXVJGODSCPFQPD-KRWDZBQOSA-N 2 1 418.582 3.722 20 0 HHADMP C[N@@H+](CCCNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000063145321 966760897 /nfs/dbraw/zinc/76/08/97/966760897.db2.gz UKYMHAABJSCZPZ-UHFFFAOYSA-N 2 1 410.631 3.637 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000042857778 966857904 /nfs/dbraw/zinc/85/79/04/966857904.db2.gz XMPMJHYVROPPIX-FQEVSTJZSA-N 2 1 419.569 3.651 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000042857778 966857907 /nfs/dbraw/zinc/85/79/07/966857907.db2.gz XMPMJHYVROPPIX-FQEVSTJZSA-N 2 1 419.569 3.651 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[NH+](CC3CCCCC3)CC2)c1 ZINC000064229305 967094656 /nfs/dbraw/zinc/09/46/56/967094656.db2.gz IOIUNZIXNSAIQJ-UHFFFAOYSA-N 2 1 400.611 3.936 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC000064229305 967094665 /nfs/dbraw/zinc/09/46/65/967094665.db2.gz IOIUNZIXNSAIQJ-UHFFFAOYSA-N 2 1 400.611 3.936 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC000064229305 967094674 /nfs/dbraw/zinc/09/46/74/967094674.db2.gz IOIUNZIXNSAIQJ-UHFFFAOYSA-N 2 1 400.611 3.936 20 0 HHADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000542848112 1013707309 /nfs/dbraw/zinc/70/73/09/1013707309.db2.gz HQDFZAORUCPGBC-DFBJGRDBSA-N 2 1 404.558 3.988 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000542848112 1013707315 /nfs/dbraw/zinc/70/73/15/1013707315.db2.gz HQDFZAORUCPGBC-DFBJGRDBSA-N 3 1 404.558 3.988 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000542848112 1013707323 /nfs/dbraw/zinc/70/73/23/1013707323.db2.gz HQDFZAORUCPGBC-DFBJGRDBSA-N 3 1 404.558 3.988 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)[NH+](C)C)cc1 ZINC000065466324 967480144 /nfs/dbraw/zinc/48/01/44/967480144.db2.gz XQJVFIFPPFRDIB-QHCPKHFHSA-N 2 1 412.553 3.654 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)[NH+](C)C)cc1 ZINC000065466324 967480148 /nfs/dbraw/zinc/48/01/48/967480148.db2.gz XQJVFIFPPFRDIB-QHCPKHFHSA-N 2 1 412.553 3.654 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(CCc2ccccc2)CC[NH+](C)C)C1 ZINC000065522834 967506526 /nfs/dbraw/zinc/50/65/26/967506526.db2.gz NZVIUHVTZOYROA-URXFXBBRSA-N 2 1 408.590 3.638 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000065526718 967508596 /nfs/dbraw/zinc/50/85/96/967508596.db2.gz VYLSWQHMNUWFBH-BGYRXZFFSA-N 2 1 400.611 3.838 20 0 HHADMP COc1ccc(Cl)cc1CNC(=O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000542884997 1013732986 /nfs/dbraw/zinc/73/29/86/1013732986.db2.gz MMSNGAXULLAKFI-HNNXBMFYSA-N 2 1 412.921 3.810 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCc2cccc(OC(C)C)c2)cc1 ZINC000542887137 1013734334 /nfs/dbraw/zinc/73/43/34/1013734334.db2.gz ZEDPGZXFHZRSGW-SFHVURJKSA-N 2 1 406.530 3.935 20 0 HHADMP CC(C)[C@@H](CNC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)[NH+]1CCC(C)CC1 ZINC000078872721 969020307 /nfs/dbraw/zinc/02/03/07/969020307.db2.gz GUCXPGWVNNHULY-NFBKMPQASA-N 2 1 416.610 3.958 20 0 HHADMP CC(C)[C@H](CNC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)[NH+]1CCC(C)CC1 ZINC000078872717 969020512 /nfs/dbraw/zinc/02/05/12/969020512.db2.gz GUCXPGWVNNHULY-OFNKIYASSA-N 2 1 416.610 3.958 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)C1CC[NH+](Cc2csc(C)n2)CC1)c1ccsc1 ZINC000110439231 969668381 /nfs/dbraw/zinc/66/83/81/969668381.db2.gz ZXFGYYDXHSJCOX-FQEVSTJZSA-N 2 1 420.648 3.924 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1)C(C)C ZINC000111096653 969776622 /nfs/dbraw/zinc/77/66/22/969776622.db2.gz ZMYNAXDLRQISDR-UHFFFAOYSA-N 2 1 423.601 3.804 20 0 HHADMP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000116437546 969894681 /nfs/dbraw/zinc/89/46/81/969894681.db2.gz JCHMGWDMCOONHP-JOCHJYFZSA-N 2 1 424.614 3.790 20 0 HHADMP COCC[NH+]1CCC([NH2+]Cc2ccc(Oc3cc(OC)cc(OC)c3)cc2)CC1 ZINC000140776827 970086433 /nfs/dbraw/zinc/08/64/33/970086433.db2.gz UYFKZZFEDVQXIT-UHFFFAOYSA-N 2 1 400.519 3.697 20 0 HHADMP c1ccc2nc(N3CCCCC3)c(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)cc2c1 ZINC000236614402 970147210 /nfs/dbraw/zinc/14/72/10/970147210.db2.gz SKMJZDRAXSUGSH-HXUWFJFHSA-N 2 1 408.590 3.816 20 0 HHADMP CC(C)COc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000236718298 970162288 /nfs/dbraw/zinc/16/22/88/970162288.db2.gz LVJXQZOYQGTXAW-QHCPKHFHSA-N 2 1 409.574 3.709 20 0 HHADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000236838025 970178427 /nfs/dbraw/zinc/17/84/27/970178427.db2.gz OGDRBWPVBKRFTR-UHFFFAOYSA-N 2 1 409.622 3.732 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)[C@@H](C)C1 ZINC000236864906 970182047 /nfs/dbraw/zinc/18/20/47/970182047.db2.gz PPJVELHZMQLFHY-OXJNMPFZSA-N 2 1 423.395 3.952 20 0 HHADMP CCc1oc2ccccc2c1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000237096642 970221474 /nfs/dbraw/zinc/22/14/74/970221474.db2.gz AJPPLEDTHGHJJJ-FQEVSTJZSA-N 2 1 405.542 3.982 20 0 HHADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2Br)cc1 ZINC000237172616 970236044 /nfs/dbraw/zinc/23/60/44/970236044.db2.gz XUEBSFXXMQENGV-UHFFFAOYSA-N 2 1 424.770 3.684 20 0 HHADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)c1 ZINC000237180010 970236725 /nfs/dbraw/zinc/23/67/25/970236725.db2.gz RTGAASSYOZPGKV-UHFFFAOYSA-N 2 1 413.468 3.806 20 0 HHADMP COc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc(Br)c1OC(F)F ZINC000237212831 970243030 /nfs/dbraw/zinc/24/30/30/970243030.db2.gz CLESMRWKLOFLJH-LLVKDONJSA-N 2 1 418.282 3.990 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccccc2OCC(=O)NCC2CC2)CC1 ZINC000237520596 970307291 /nfs/dbraw/zinc/30/72/91/970307291.db2.gz BNLUKUAFZKKTDQ-FQEVSTJZSA-N 2 1 421.585 3.907 20 0 HHADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccccc2OCC(=O)N2CCCC2)CC1 ZINC000237732993 970349293 /nfs/dbraw/zinc/34/92/93/970349293.db2.gz VWFWPRREQQWBKS-UHFFFAOYSA-N 2 1 421.585 3.750 20 0 HHADMP C[C@H]1CN(C(=O)c2ccc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC000237761362 970357116 /nfs/dbraw/zinc/35/71/16/970357116.db2.gz QBPJCBFJCLICGL-SFTDATJTSA-N 2 1 421.585 3.690 20 0 HHADMP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2c(F)cccc2N2CCCC2)cc1 ZINC000237797932 970370323 /nfs/dbraw/zinc/37/03/23/970370323.db2.gz UNHJQJOIIFVNHR-UHFFFAOYSA-N 2 1 424.564 3.541 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(N4CCCCC4)cc3)c2)C1 ZINC000237939900 970399731 /nfs/dbraw/zinc/39/97/31/970399731.db2.gz BDWHYCADNFEKEC-DEOSSOPVSA-N 2 1 420.601 3.664 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000150167391 970431858 /nfs/dbraw/zinc/43/18/58/970431858.db2.gz JABBRJGDXVNUKU-OAQYLSRUSA-N 2 1 400.611 3.852 20 0 HHADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)COc1cccc(C(F)(F)F)c1 ZINC000238121853 970444559 /nfs/dbraw/zinc/44/45/59/970444559.db2.gz FVPKEXWRSWFHHM-OAQYLSRUSA-N 2 1 422.491 3.742 20 0 HHADMP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000250800230 970538213 /nfs/dbraw/zinc/53/82/13/970538213.db2.gz DKMDRTAYYQDUGH-ZEQRLZLVSA-N 2 1 423.576 3.719 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000250800230 970538219 /nfs/dbraw/zinc/53/82/19/970538219.db2.gz DKMDRTAYYQDUGH-ZEQRLZLVSA-N 2 1 423.576 3.719 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000252143648 970554592 /nfs/dbraw/zinc/55/45/92/970554592.db2.gz NORWNGWKGLUMOS-HSALFYBXSA-N 2 1 406.640 3.942 20 0 HHADMP Brc1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc2c1OCCO2 ZINC000311506253 972627024 /nfs/dbraw/zinc/62/70/24/972627024.db2.gz MRWJUTNPVCQYJT-KRWDZBQOSA-N 2 1 417.347 3.832 20 0 HHADMP C[NH+]1CCN([C@@H](c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)c2ccccc2)CC1 ZINC000554793042 1014049532 /nfs/dbraw/zinc/04/95/32/1014049532.db2.gz XRVKFMXKLXSRJV-HSZRJFAPSA-N 2 1 417.557 3.669 20 0 HHADMP Cc1nn(C)c(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1Br ZINC000382393455 972785375 /nfs/dbraw/zinc/78/53/75/972785375.db2.gz VFOLXQJMHWNTBA-UHFFFAOYSA-N 2 1 417.395 3.979 20 0 HHADMP Cc1nn(C)c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1Br ZINC000382393455 972785386 /nfs/dbraw/zinc/78/53/86/972785386.db2.gz VFOLXQJMHWNTBA-UHFFFAOYSA-N 2 1 417.395 3.979 20 0 HHADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)COc1cc(Cl)ccc1Cl ZINC000382607242 972786912 /nfs/dbraw/zinc/78/69/12/972786912.db2.gz YGMDIDGAHOUIEQ-LJQANCHMSA-N 2 1 409.357 3.987 20 0 HHADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390561771 972826044 /nfs/dbraw/zinc/82/60/44/972826044.db2.gz ACKPTEOSJSXITQ-VXKWHMMOSA-N 2 1 419.610 3.664 20 0 HHADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390561771 972826056 /nfs/dbraw/zinc/82/60/56/972826056.db2.gz ACKPTEOSJSXITQ-VXKWHMMOSA-N 2 1 419.610 3.664 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000410328046 973892685 /nfs/dbraw/zinc/89/26/85/973892685.db2.gz UFFZQAKNYPKBRY-NRFANRHFSA-N 2 1 420.601 3.705 20 0 HHADMP CC[N@@H+](CCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)CCC(F)(F)F ZINC000425986658 974098170 /nfs/dbraw/zinc/09/81/70/974098170.db2.gz GHQRYZGXMNLFPE-UHFFFAOYSA-N 2 1 414.516 3.567 20 0 HHADMP COc1cccc2c1CC[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C3CCOCC3)c1)C2 ZINC000426059779 974181828 /nfs/dbraw/zinc/18/18/28/974181828.db2.gz FVNAVIRIOHPFRG-QFIPXVFZSA-N 2 1 424.585 3.832 20 0 HHADMP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000426770952 974648202 /nfs/dbraw/zinc/64/82/02/974648202.db2.gz XQNDDYXKTUIFRM-HBMCJLEFSA-N 2 1 401.595 3.842 20 0 HHADMP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000426770952 974648208 /nfs/dbraw/zinc/64/82/08/974648208.db2.gz XQNDDYXKTUIFRM-HBMCJLEFSA-N 2 1 401.595 3.842 20 0 HHADMP CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426789517 974661029 /nfs/dbraw/zinc/66/10/29/974661029.db2.gz VMXZNZHGYQSZIO-SELNLUPBSA-N 2 1 417.594 3.624 20 0 HHADMP Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000426792287 974663434 /nfs/dbraw/zinc/66/34/34/974663434.db2.gz IQVJQXNRCDEPJD-IRXDYDNUSA-N 2 1 407.986 3.798 20 0 HHADMP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1C ZINC000426811597 974678455 /nfs/dbraw/zinc/67/84/55/974678455.db2.gz NOKSKLJUHWITHB-SBHAEUEKSA-N 2 1 401.595 3.842 20 0 HHADMP C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426813954 974680206 /nfs/dbraw/zinc/68/02/06/974680206.db2.gz AXWQEWURLWSFMJ-HSALFYBXSA-N 2 1 424.589 3.773 20 0 HHADMP Cc1cnc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000427818671 975306991 /nfs/dbraw/zinc/30/69/91/975306991.db2.gz IOYRLRILTXFUSW-NRFANRHFSA-N 2 1 401.558 3.958 20 0 HHADMP Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000427940583 975359683 /nfs/dbraw/zinc/35/96/83/975359683.db2.gz DNJGSNLNLKIZAT-QFIPXVFZSA-N 2 1 409.578 3.697 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC000428638246 975939979 /nfs/dbraw/zinc/93/99/79/975939979.db2.gz FVYBAYNKDMDTLY-MQSCRBSSSA-N 2 1 400.611 3.993 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000428638246 975939985 /nfs/dbraw/zinc/93/99/85/975939985.db2.gz FVYBAYNKDMDTLY-MQSCRBSSSA-N 2 1 400.611 3.993 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000428638246 975939988 /nfs/dbraw/zinc/93/99/88/975939988.db2.gz FVYBAYNKDMDTLY-MQSCRBSSSA-N 2 1 400.611 3.993 20 0 HHADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000428719981 976008309 /nfs/dbraw/zinc/00/83/09/976008309.db2.gz QKDVGCMEHNUDRS-GMAHTHKFSA-N 2 1 415.622 3.542 20 0 HHADMP c1ccc(-c2noc([C@H](c3ccccc3)[NH+]3CCC(C[NH+]4CCOCC4)CC3)n2)cc1 ZINC000428787820 976062741 /nfs/dbraw/zinc/06/27/41/976062741.db2.gz QRDMMPZBHQZHIY-QHCPKHFHSA-N 2 1 418.541 3.870 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000428872300 976161422 /nfs/dbraw/zinc/16/14/22/976161422.db2.gz MKPBEYZBNKZIIW-YFXJRYMSSA-N 2 1 412.553 3.781 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000428872299 976161538 /nfs/dbraw/zinc/16/15/38/976161538.db2.gz MKPBEYZBNKZIIW-SXSPYAJSSA-N 2 1 412.553 3.781 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000428872298 976161716 /nfs/dbraw/zinc/16/17/16/976161716.db2.gz MKPBEYZBNKZIIW-LEOXJPRUSA-N 2 1 412.553 3.781 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000429079310 976364333 /nfs/dbraw/zinc/36/43/33/976364333.db2.gz AGZYRCAIKPQHBB-QPPBQGQZSA-N 2 1 405.586 3.925 20 0 HHADMP CSC[C@@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000429293884 976573120 /nfs/dbraw/zinc/57/31/20/976573120.db2.gz MLRGKETVOBTBLJ-YLJYHZDGSA-N 2 1 410.027 3.668 20 0 HHADMP CSC[C@@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000429293884 976573133 /nfs/dbraw/zinc/57/31/33/976573133.db2.gz MLRGKETVOBTBLJ-YLJYHZDGSA-N 2 1 410.027 3.668 20 0 HHADMP C[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000429439663 976718312 /nfs/dbraw/zinc/71/83/12/976718312.db2.gz FMYDQOSZZHNNNW-SQJMNOBHSA-N 2 1 411.590 3.569 20 0 HHADMP C[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000429439663 976718318 /nfs/dbraw/zinc/71/83/18/976718318.db2.gz FMYDQOSZZHNNNW-SQJMNOBHSA-N 2 1 411.590 3.569 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429678934 976975470 /nfs/dbraw/zinc/97/54/70/976975470.db2.gz BLPJKEPHOIHEND-FTJBHMTQSA-N 2 1 407.602 3.731 20 0 HHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429678934 976975483 /nfs/dbraw/zinc/97/54/83/976975483.db2.gz BLPJKEPHOIHEND-FTJBHMTQSA-N 2 1 407.602 3.731 20 0 HHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429678934 976975488 /nfs/dbraw/zinc/97/54/88/976975488.db2.gz BLPJKEPHOIHEND-FTJBHMTQSA-N 2 1 407.602 3.731 20 0 HHADMP COc1cccc([C@@H](C)[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000429812034 977086253 /nfs/dbraw/zinc/08/62/53/977086253.db2.gz VLWVORVACBMDRJ-HXUWFJFHSA-N 2 1 409.574 3.716 20 0 HHADMP c1nnn(Cc2ccccc2)c1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000430239354 977411619 /nfs/dbraw/zinc/41/16/19/977411619.db2.gz LUFCSZSKBYROLS-UHFFFAOYSA-N 2 1 401.558 3.815 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000430670534 977681085 /nfs/dbraw/zinc/68/10/85/977681085.db2.gz NIQXKUNHCPWIBG-IFMALSPDSA-N 2 1 419.560 3.723 20 0 HHADMP CCC(CC)c1cc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)on1 ZINC000430671800 977682674 /nfs/dbraw/zinc/68/26/74/977682674.db2.gz RLEXLJIQMSNGMU-UHFFFAOYSA-N 2 1 404.599 3.847 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000430673785 977684864 /nfs/dbraw/zinc/68/48/64/977684864.db2.gz GHDDDBVTSIRVHR-AZGAKELHSA-N 2 1 409.618 3.545 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000430687079 977695054 /nfs/dbraw/zinc/69/50/54/977695054.db2.gz OUVHSUSYFJVMMO-RTWAWAEBSA-N 2 1 419.560 3.723 20 0 HHADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)NC(=O)Nc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000430811644 977772042 /nfs/dbraw/zinc/77/20/42/977772042.db2.gz QXJNXIAXXZBDSF-KNQAVFIVSA-N 2 1 408.546 3.710 20 0 HHADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)NC(=O)Nc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000430811644 977772052 /nfs/dbraw/zinc/77/20/52/977772052.db2.gz QXJNXIAXXZBDSF-KNQAVFIVSA-N 2 1 408.546 3.710 20 0 HHADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)NC(=O)Nc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000430811644 977772059 /nfs/dbraw/zinc/77/20/59/977772059.db2.gz QXJNXIAXXZBDSF-KNQAVFIVSA-N 2 1 408.546 3.710 20 0 HHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)NC(=O)Nc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000430811644 977772065 /nfs/dbraw/zinc/77/20/65/977772065.db2.gz QXJNXIAXXZBDSF-KNQAVFIVSA-N 2 1 408.546 3.710 20 0 HHADMP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000430910882 977878148 /nfs/dbraw/zinc/87/81/48/977878148.db2.gz YWKPNUGQJSDEAR-OAQYLSRUSA-N 2 1 414.638 3.759 20 0 HHADMP C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430933975 977898065 /nfs/dbraw/zinc/89/80/65/977898065.db2.gz KKBLEBPPQFGQJN-GOSISDBHSA-N 2 1 421.029 3.795 20 0 HHADMP CC(C)Cc1nc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cs1 ZINC000431000255 977945100 /nfs/dbraw/zinc/94/51/00/977945100.db2.gz PIQRHCWMGJTRJE-UHFFFAOYSA-N 2 1 406.640 3.610 20 0 HHADMP CCn1c(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc2ccccc21 ZINC000431058030 977987574 /nfs/dbraw/zinc/98/75/74/977987574.db2.gz QQUYHFHGGBKEPQ-UHFFFAOYSA-N 2 1 410.606 3.930 20 0 HHADMP CCN(C(=O)[C@H](C)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)C1CCCCC1 ZINC000431393196 978267519 /nfs/dbraw/zinc/26/75/19/978267519.db2.gz SBDJVPUVWILKHU-NRFANRHFSA-N 2 1 420.686 3.684 20 0 HHADMP Cc1ccc(CC[C@@H](C)NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000431661412 978418928 /nfs/dbraw/zinc/41/89/28/978418928.db2.gz PZARMESTLMFEIM-LJQANCHMSA-N 2 1 418.626 3.747 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000431688852 978436639 /nfs/dbraw/zinc/43/66/39/978436639.db2.gz FIWMEYUQANMPDW-FGCOXFRFSA-N 2 1 406.574 3.738 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000431688852 978436640 /nfs/dbraw/zinc/43/66/40/978436640.db2.gz FIWMEYUQANMPDW-FGCOXFRFSA-N 2 1 406.574 3.738 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000431688852 978436643 /nfs/dbraw/zinc/43/66/43/978436643.db2.gz FIWMEYUQANMPDW-FGCOXFRFSA-N 2 1 406.574 3.738 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000431688852 978436645 /nfs/dbraw/zinc/43/66/45/978436645.db2.gz FIWMEYUQANMPDW-FGCOXFRFSA-N 2 1 406.574 3.738 20 0 HHADMP C[N@H+]1CCCC[C@H]1CCC(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000431787869 978513809 /nfs/dbraw/zinc/51/38/09/978513809.db2.gz YAXBVUUZSYHDMN-FQEVSTJZSA-N 2 1 407.986 3.564 20 0 HHADMP C[C@H](CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)[N@H+]1CCCC[C@@H]1C ZINC000431808929 978529176 /nfs/dbraw/zinc/52/91/76/978529176.db2.gz LISXFNKGBKAMRT-FCHUYYIVSA-N 2 1 412.622 3.947 20 0 HHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432356317 978775403 /nfs/dbraw/zinc/77/54/03/978775403.db2.gz IIPHJXLDODHFDT-KRWDZBQOSA-N 2 1 404.986 3.792 20 0 HHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432356317 978775406 /nfs/dbraw/zinc/77/54/06/978775406.db2.gz IIPHJXLDODHFDT-KRWDZBQOSA-N 2 1 404.986 3.792 20 0 HHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000432366140 978780160 /nfs/dbraw/zinc/78/01/60/978780160.db2.gz BZKDEAKNGVMIKS-LJQANCHMSA-N 2 1 414.594 3.904 20 0 HHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000432423217 978805756 /nfs/dbraw/zinc/80/57/56/978805756.db2.gz XBCKTJPJRSLFOI-RTBURBONSA-N 2 1 408.608 3.554 20 0 HHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000432423217 978805760 /nfs/dbraw/zinc/80/57/60/978805760.db2.gz XBCKTJPJRSLFOI-RTBURBONSA-N 2 1 408.608 3.554 20 0 HHADMP COc1cc(C[NH+]2CCC[C@H]3COCC[C@H]32)cc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000432824442 978985665 /nfs/dbraw/zinc/98/56/65/978985665.db2.gz SYGYEGLSEZMZKM-MMEFYLPPSA-N 2 1 414.590 3.697 20 0 HHADMP COc1cc(C[NH+]2CCC[C@@H]3COCC[C@@H]32)cc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1 ZINC000432824442 978985668 /nfs/dbraw/zinc/98/56/68/978985668.db2.gz SYGYEGLSEZMZKM-MMEFYLPPSA-N 2 1 414.590 3.697 20 0 HHADMP COc1cc(C[NH+]2CCC[C@@H]3COCC[C@@H]32)cc(C[N@H+]2CCC[C@H]3COCC[C@H]32)c1 ZINC000432824442 978985670 /nfs/dbraw/zinc/98/56/70/978985670.db2.gz SYGYEGLSEZMZKM-MMEFYLPPSA-N 2 1 414.590 3.697 20 0 HHADMP CC(C)[NH+](Cc1cc(Br)ccc1C[N@H+](C[C@H](C)O)C(C)C)C[C@H](C)O ZINC000432963145 979026462 /nfs/dbraw/zinc/02/64/62/979026462.db2.gz ZKBUREPQJRYOAR-IRXDYDNUSA-N 2 1 415.416 3.632 20 0 HHADMP CC(C)[NH+](Cc1ccc(Br)cc1C[N@H+](C[C@H](C)O)C(C)C)C[C@H](C)O ZINC000432963145 979026464 /nfs/dbraw/zinc/02/64/64/979026464.db2.gz ZKBUREPQJRYOAR-IRXDYDNUSA-N 2 1 415.416 3.632 20 0 HHADMP CC(C)[NH+](Cc1ccc(Br)cc1C[N@@H+](C[C@H](C)O)C(C)C)C[C@H](C)O ZINC000432963145 979026467 /nfs/dbraw/zinc/02/64/67/979026467.db2.gz ZKBUREPQJRYOAR-IRXDYDNUSA-N 2 1 415.416 3.632 20 0 HHADMP C[C@@H](C(=O)NCCc1cccs1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433051983 979053092 /nfs/dbraw/zinc/05/30/92/979053092.db2.gz JMCNKUFJLCSTQH-FQEVSTJZSA-N 2 1 411.615 3.783 20 0 HHADMP Cc1c(-c2cc(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)on2)cnn1C ZINC000433179716 979123066 /nfs/dbraw/zinc/12/30/66/979123066.db2.gz WULDQPMLHLEYLP-UHFFFAOYSA-N 2 1 405.546 3.872 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000433386264 979268261 /nfs/dbraw/zinc/26/82/61/979268261.db2.gz HNRMAWTYLCTPAB-CNNODRBYSA-N 2 1 420.569 3.925 20 0 HHADMP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000434449238 980188787 /nfs/dbraw/zinc/18/87/87/980188787.db2.gz WOOWLAYYNVOHOL-FPOVZHCZSA-N 2 1 409.496 3.574 20 0 HHADMP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000434449238 980188792 /nfs/dbraw/zinc/18/87/92/980188792.db2.gz WOOWLAYYNVOHOL-FPOVZHCZSA-N 2 1 409.496 3.574 20 0 HHADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000434449238 980188795 /nfs/dbraw/zinc/18/87/95/980188795.db2.gz WOOWLAYYNVOHOL-FPOVZHCZSA-N 2 1 409.496 3.574 20 0 HHADMP CC[C@@H](C)c1ncc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000434519106 980224903 /nfs/dbraw/zinc/22/49/03/980224903.db2.gz WWAIDVUDHDZNNP-GOSISDBHSA-N 2 1 416.614 3.650 20 0 HHADMP Cc1cc(NC(=O)N2CCC([NH2+]C(C)C)CC2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435526397 980920359 /nfs/dbraw/zinc/92/03/59/980920359.db2.gz HTJJEDAMVGUNEQ-JOCHJYFZSA-N 2 1 424.593 3.633 20 0 HHADMP Cc1cc(NC(=O)N[C@H](C)C[NH+]2CCCCC2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435529251 980923497 /nfs/dbraw/zinc/92/34/97/980923497.db2.gz REHXLUIXCROLAO-IRLDBZIGSA-N 2 1 424.593 3.634 20 0 HHADMP C[NH+](C)Cc1cccc(C(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000435634534 980968711 /nfs/dbraw/zinc/96/87/11/980968711.db2.gz DECGATQVDKLHRG-JOCHJYFZSA-N 2 1 403.530 3.644 20 0 HHADMP CN(c1ccccc1CN1CCC[N@@H+](Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000435769477 981023336 /nfs/dbraw/zinc/02/33/36/981023336.db2.gz WIEZJFABAPCQHI-UHFFFAOYSA-N 2 1 406.618 3.925 20 0 HHADMP CN(c1ccccc1C[N@@H+]1CCCN(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000435769477 981023341 /nfs/dbraw/zinc/02/33/41/981023341.db2.gz WIEZJFABAPCQHI-UHFFFAOYSA-N 2 1 406.618 3.925 20 0 HHADMP CN(c1ccccc1C[N@H+]1CCCN(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000435769477 981023349 /nfs/dbraw/zinc/02/33/49/981023349.db2.gz WIEZJFABAPCQHI-UHFFFAOYSA-N 2 1 406.618 3.925 20 0 HHADMP C[C@@H](c1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1)[NH+]1CCOCC1 ZINC000436333893 981306552 /nfs/dbraw/zinc/30/65/52/981306552.db2.gz KIXGTHQVGFHDGY-CVDCTZTESA-N 2 1 414.594 3.998 20 0 HHADMP C[C@@H](c1ccc(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1)[NH+]1CCOCC1 ZINC000436333893 981306559 /nfs/dbraw/zinc/30/65/59/981306559.db2.gz KIXGTHQVGFHDGY-CVDCTZTESA-N 2 1 414.594 3.998 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)c2)CC1 ZINC000436373919 981333927 /nfs/dbraw/zinc/33/39/27/981333927.db2.gz VKXANMCAAMFMNR-QHCPKHFHSA-N 2 1 413.610 3.747 20 0 HHADMP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448209907 981623470 /nfs/dbraw/zinc/62/34/70/981623470.db2.gz VULBRYWCTIRLGF-UGKGYDQZSA-N 2 1 416.635 3.618 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000448210409 981624093 /nfs/dbraw/zinc/62/40/93/981624093.db2.gz ZYRWRMMFADRMTC-NMTNEYKDSA-N 2 1 410.606 3.555 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448210409 981624096 /nfs/dbraw/zinc/62/40/96/981624096.db2.gz ZYRWRMMFADRMTC-NMTNEYKDSA-N 2 1 410.606 3.555 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448210409 981624102 /nfs/dbraw/zinc/62/41/02/981624102.db2.gz ZYRWRMMFADRMTC-NMTNEYKDSA-N 2 1 410.606 3.555 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Cc1ccccc1 ZINC000448214366 981628547 /nfs/dbraw/zinc/62/85/47/981628547.db2.gz SKJAIBFBDZCKAS-XWGVYQGASA-N 2 1 412.622 3.598 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000448465791 981799714 /nfs/dbraw/zinc/79/97/14/981799714.db2.gz JNSWEHQNSGGOBB-JTAQYXEDSA-N 2 1 400.611 3.790 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000448465791 981799717 /nfs/dbraw/zinc/79/97/17/981799717.db2.gz JNSWEHQNSGGOBB-JTAQYXEDSA-N 2 1 400.611 3.790 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000448465791 981799720 /nfs/dbraw/zinc/79/97/20/981799720.db2.gz JNSWEHQNSGGOBB-JTAQYXEDSA-N 2 1 400.611 3.790 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)[C@H](C)C1 ZINC000448468506 981807345 /nfs/dbraw/zinc/80/73/45/981807345.db2.gz VLBWCCBUGWWFAQ-QTEQDKRBSA-N 2 1 400.611 3.933 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)[C@H](C)C1 ZINC000448468506 981807347 /nfs/dbraw/zinc/80/73/47/981807347.db2.gz VLBWCCBUGWWFAQ-QTEQDKRBSA-N 2 1 400.611 3.933 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)[C@H](C)C1 ZINC000448468506 981807351 /nfs/dbraw/zinc/80/73/51/981807351.db2.gz VLBWCCBUGWWFAQ-QTEQDKRBSA-N 2 1 400.611 3.933 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)[C@H](C)C1 ZINC000448519299 981845221 /nfs/dbraw/zinc/84/52/21/981845221.db2.gz CUORAGNBGADUMG-GCJKJVERSA-N 2 1 421.029 3.924 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)[C@@H](C)C1 ZINC000448519298 981845792 /nfs/dbraw/zinc/84/57/92/981845792.db2.gz CUORAGNBGADUMG-AVRDEDQJSA-N 2 1 421.029 3.924 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)c1ccc(F)cc1 ZINC000460100040 981876122 /nfs/dbraw/zinc/87/61/22/981876122.db2.gz CSSYRHQVXRPJNI-WPFOTENUSA-N 2 1 424.564 3.592 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000460355321 982128246 /nfs/dbraw/zinc/12/82/46/982128246.db2.gz WJWIPYDSHTWDLJ-IAGOWNOFSA-N 2 1 417.500 3.973 20 0 HHADMP CCOC(=O)c1ccc(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000460362087 982136537 /nfs/dbraw/zinc/13/65/37/982136537.db2.gz JQZOYXGNQHGEAR-HROJSSOGSA-N 2 1 423.557 3.548 20 0 HHADMP CCOC(=O)c1ccc(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000460362087 982136543 /nfs/dbraw/zinc/13/65/43/982136543.db2.gz JQZOYXGNQHGEAR-HROJSSOGSA-N 2 1 423.557 3.548 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(Br)c1 ZINC000437675987 982290452 /nfs/dbraw/zinc/29/04/52/982290452.db2.gz SLQSCTDIRSUQIU-KRWDZBQOSA-N 2 1 411.388 3.637 20 0 HHADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000437979849 982503245 /nfs/dbraw/zinc/50/32/45/982503245.db2.gz ZBAZNIIYLIFKCH-IBGZPJMESA-N 2 1 421.948 3.680 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000438168959 982628934 /nfs/dbraw/zinc/62/89/34/982628934.db2.gz MKXXQCCQXBTXOV-FQEVSTJZSA-N 2 1 411.550 3.754 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc2ccc(OC)cc2c1C ZINC000460906698 982642361 /nfs/dbraw/zinc/64/23/61/982642361.db2.gz DFMKZPISRNZRSP-QGZVFWFLSA-N 2 1 403.592 3.706 20 0 HHADMP CCCC(=O)Nc1cccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)c1C ZINC000438224862 982662614 /nfs/dbraw/zinc/66/26/14/982662614.db2.gz QSSMEJMOZPSAFQ-LJQANCHMSA-N 2 1 417.598 3.613 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000438386851 982758875 /nfs/dbraw/zinc/75/88/75/982758875.db2.gz JWHAKQLAVGISFP-SFHVURJKSA-N 2 1 400.489 3.671 20 0 HHADMP CCC(CC)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCOCC1 ZINC000461073731 982770506 /nfs/dbraw/zinc/77/05/06/982770506.db2.gz HOZFQAKOLRXEIW-AGILITTLSA-N 2 1 415.622 3.635 20 0 HHADMP CCC(CC)[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCOCC1 ZINC000461073731 982770510 /nfs/dbraw/zinc/77/05/10/982770510.db2.gz HOZFQAKOLRXEIW-AGILITTLSA-N 2 1 415.622 3.635 20 0 HHADMP C[C@H]1C[NH+](Cc2ccc(C(=O)N(CC[NH+](C)C)Cc3cccs3)cc2)C[C@H](C)O1 ZINC000438529403 982867783 /nfs/dbraw/zinc/86/77/83/982867783.db2.gz JHZYBBHFEYOOTD-OALUTQOASA-N 2 1 415.603 3.561 20 0 HHADMP Cc1cc(CNC(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc(N2CCCC2)[nH+]1 ZINC000461209491 982923358 /nfs/dbraw/zinc/92/33/58/982923358.db2.gz AVVQHTNKPPLFCC-CVDCTZTESA-N 2 1 409.578 3.789 20 0 HHADMP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461438699 983102522 /nfs/dbraw/zinc/10/25/22/983102522.db2.gz MNUBCCSOERYBBS-DQEYMECFSA-N 2 1 403.570 3.877 20 0 HHADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000461443380 983107984 /nfs/dbraw/zinc/10/79/84/983107984.db2.gz ARPUYQCAOHWZDA-NXCFDTQHSA-N 2 1 417.597 3.879 20 0 HHADMP O=C([C@@H]1CCC[NH+](Cc2ccccc2)C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461443380 983107990 /nfs/dbraw/zinc/10/79/90/983107990.db2.gz ARPUYQCAOHWZDA-NXCFDTQHSA-N 2 1 417.597 3.879 20 0 HHADMP O=C([C@@H]1CCC[NH+](Cc2ccccc2)C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461443380 983107995 /nfs/dbraw/zinc/10/79/95/983107995.db2.gz ARPUYQCAOHWZDA-NXCFDTQHSA-N 2 1 417.597 3.879 20 0 HHADMP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461448410 983114155 /nfs/dbraw/zinc/11/41/55/983114155.db2.gz YDHSRGPVZITXQN-UIOOFZCWSA-N 2 1 417.597 3.879 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000438849937 983116475 /nfs/dbraw/zinc/11/64/75/983116475.db2.gz LBZULOOPQNTPOE-WOJBJXKFSA-N 2 1 401.599 3.561 20 0 HHADMP C[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000439448459 983414268 /nfs/dbraw/zinc/41/42/68/983414268.db2.gz ZKPHOBPNPUZQJG-PZJWPPBQSA-N 2 1 414.619 3.874 20 0 HHADMP CCC[N@H+](CC(=O)N1[C@H](C)CCC[C@@H]1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000440455359 983763355 /nfs/dbraw/zinc/76/33/55/983763355.db2.gz UBINYZZAJCIIKZ-KDURUIRLSA-N 2 1 401.599 3.564 20 0 HHADMP CCC[N@@H+](CC(=O)N1[C@H](C)CCC[C@@H]1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000440455359 983763358 /nfs/dbraw/zinc/76/33/58/983763358.db2.gz UBINYZZAJCIIKZ-KDURUIRLSA-N 2 1 401.599 3.564 20 0 HHADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000441243494 984134306 /nfs/dbraw/zinc/13/43/06/984134306.db2.gz JDMHNVMGTAFCMG-QVKFZJNVSA-N 2 1 409.496 3.831 20 0 HHADMP C[N@H+]1CCN(CC[NH2+]Cc2csc(-c3cccc(Br)c3)n2)CC1(C)C ZINC000441338188 984193569 /nfs/dbraw/zinc/19/35/69/984193569.db2.gz CNVRBTNKACGLQJ-UHFFFAOYSA-N 2 1 423.424 3.688 20 0 HHADMP O=C(CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Br)cc1 ZINC000441400507 984231733 /nfs/dbraw/zinc/23/17/33/984231733.db2.gz GOOYCPBNMYLUOZ-HNAYVOBHSA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Br)cc1 ZINC000441400507 984231736 /nfs/dbraw/zinc/23/17/36/984231736.db2.gz GOOYCPBNMYLUOZ-HNAYVOBHSA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(Br)cc1 ZINC000441400507 984231741 /nfs/dbraw/zinc/23/17/41/984231741.db2.gz GOOYCPBNMYLUOZ-HNAYVOBHSA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(Br)cc1 ZINC000441400507 984231743 /nfs/dbraw/zinc/23/17/43/984231743.db2.gz GOOYCPBNMYLUOZ-HNAYVOBHSA-N 2 1 406.368 3.726 20 0 HHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000442785120 985215032 /nfs/dbraw/zinc/21/50/32/985215032.db2.gz WUGYRMVLPFRRIK-YLJYHZDGSA-N 2 1 411.512 3.874 20 0 HHADMP C[N@H+]1CCN(CC[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CC1(C)C ZINC000442876900 985255684 /nfs/dbraw/zinc/25/56/84/985255684.db2.gz SHZNNJAAOCRVOA-FQEVSTJZSA-N 2 1 424.427 3.532 20 0 HHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000462265218 985255606 /nfs/dbraw/zinc/25/56/06/985255606.db2.gz GXIWFBDSDLAQLE-LEWJYISDSA-N 2 1 401.599 3.690 20 0 HHADMP Cc1cc(CNC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc(N2CCCC2)[nH+]1 ZINC000462279693 985268675 /nfs/dbraw/zinc/26/86/75/985268675.db2.gz NXWLTNUBSKNZPO-HSZRJFAPSA-N 2 1 421.589 3.796 20 0 HHADMP Cc1cc(CNC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(N2CCCC2)[nH+]1 ZINC000462279693 985268690 /nfs/dbraw/zinc/26/86/90/985268690.db2.gz NXWLTNUBSKNZPO-HSZRJFAPSA-N 2 1 421.589 3.796 20 0 HHADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC[NH+](C2CCCC2)CC1 ZINC000462750523 985692221 /nfs/dbraw/zinc/69/22/21/985692221.db2.gz PDDLMEREFMMYAH-HSZRJFAPSA-N 2 1 412.622 3.949 20 0 HHADMP O=C(NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000462750523 985692227 /nfs/dbraw/zinc/69/22/27/985692227.db2.gz PDDLMEREFMMYAH-HSZRJFAPSA-N 2 1 412.622 3.949 20 0 HHADMP O=C(NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000462750523 985692235 /nfs/dbraw/zinc/69/22/35/985692235.db2.gz PDDLMEREFMMYAH-HSZRJFAPSA-N 2 1 412.622 3.949 20 0 HHADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)CC2)CC1 ZINC000462796116 985729004 /nfs/dbraw/zinc/72/90/04/985729004.db2.gz JJQQBOPTQBMRLR-UHFFFAOYSA-N 2 1 401.595 3.632 20 0 HHADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000443634766 985815607 /nfs/dbraw/zinc/81/56/07/985815607.db2.gz SRCGFKJHYNDGLX-LAUBAEHRSA-N 2 1 407.002 3.534 20 0 HHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000443635654 985819108 /nfs/dbraw/zinc/81/91/08/985819108.db2.gz ZJGGCQCPSHUCFK-AUSIDOKSSA-N 2 1 400.611 3.933 20 0 HHADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000443635654 985819135 /nfs/dbraw/zinc/81/91/35/985819135.db2.gz ZJGGCQCPSHUCFK-AUSIDOKSSA-N 2 1 400.611 3.933 20 0 HHADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000443635654 985819152 /nfs/dbraw/zinc/81/91/52/985819152.db2.gz ZJGGCQCPSHUCFK-AUSIDOKSSA-N 2 1 400.611 3.933 20 0 HHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC000443638773 985823567 /nfs/dbraw/zinc/82/35/67/985823567.db2.gz MLCRMHCBQBTYTJ-UIFIKXQLSA-N 2 1 407.002 3.676 20 0 HHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC000443638773 985823590 /nfs/dbraw/zinc/82/35/90/985823590.db2.gz MLCRMHCBQBTYTJ-UIFIKXQLSA-N 2 1 407.002 3.676 20 0 HHADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000443638773 985823600 /nfs/dbraw/zinc/82/36/00/985823600.db2.gz MLCRMHCBQBTYTJ-UIFIKXQLSA-N 2 1 407.002 3.676 20 0 HHADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000443638773 985823629 /nfs/dbraw/zinc/82/36/29/985823629.db2.gz MLCRMHCBQBTYTJ-UIFIKXQLSA-N 2 1 407.002 3.676 20 0 HHADMP O=C(Nc1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1)[C@@H]1CCCO1 ZINC000463080062 986037811 /nfs/dbraw/zinc/03/78/11/986037811.db2.gz QJDRNYAZKZNIIC-DEOSSOPVSA-N 2 1 407.558 3.601 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000463123556 986087926 /nfs/dbraw/zinc/08/79/26/986087926.db2.gz KCFGBCIMJOIXGM-HYBUGGRVSA-N 2 1 405.602 3.559 20 0 HHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000463123556 986087935 /nfs/dbraw/zinc/08/79/35/986087935.db2.gz KCFGBCIMJOIXGM-HYBUGGRVSA-N 2 1 405.602 3.559 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000463123556 986087940 /nfs/dbraw/zinc/08/79/40/986087940.db2.gz KCFGBCIMJOIXGM-HYBUGGRVSA-N 2 1 405.602 3.559 20 0 HHADMP O=C(c1ccccc1)N1CCC(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000463130090 986095639 /nfs/dbraw/zinc/09/56/39/986095639.db2.gz LUOMUQLZNVOMTD-UHFFFAOYSA-N 2 1 405.586 3.836 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)CN2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463144625 986114235 /nfs/dbraw/zinc/11/42/35/986114235.db2.gz KWHIYVJPGYJFFW-DNRSQYFGSA-N 2 1 407.602 3.573 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)CN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000463144625 986114238 /nfs/dbraw/zinc/11/42/38/986114238.db2.gz KWHIYVJPGYJFFW-DNRSQYFGSA-N 2 1 407.602 3.573 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@@H]3c3ccc(F)cc3)c2)C1 ZINC000468430614 986128558 /nfs/dbraw/zinc/12/85/58/986128558.db2.gz RWIIGBZTVXVORJ-JRFVFWCSSA-N 2 1 409.549 3.949 20 0 HHADMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000463187879 986159007 /nfs/dbraw/zinc/15/90/07/986159007.db2.gz FEMKAYLTHNBHIF-SVBPBHIXSA-N 2 1 421.629 3.963 20 0 HHADMP OC[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)Cc1cc(F)c(F)c(F)c1 ZINC000463236292 986204930 /nfs/dbraw/zinc/20/49/30/986204930.db2.gz IIOCUUWTGRVSMA-SFHVURJKSA-N 2 1 424.482 3.691 20 0 HHADMP C[C@@H](CCc1ccc(F)cc1)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000468511574 986212821 /nfs/dbraw/zinc/21/28/21/986212821.db2.gz NQHUNBUZZDKBDG-IBGZPJMESA-N 2 1 413.537 3.597 20 0 HHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000468553293 986258751 /nfs/dbraw/zinc/25/87/51/986258751.db2.gz KYSNQVXFUYSATI-JPYJTQIMSA-N 2 1 404.501 3.836 20 0 HHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000468553293 986258763 /nfs/dbraw/zinc/25/87/63/986258763.db2.gz KYSNQVXFUYSATI-JPYJTQIMSA-N 2 1 404.501 3.836 20 0 HHADMP CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000468686009 986397721 /nfs/dbraw/zinc/39/77/21/986397721.db2.gz BSUFWDJCKXMOSD-XLIONFOSSA-N 2 1 412.981 3.845 20 0 HHADMP COc1cc(NC(=O)CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(OC)cc1Cl ZINC000444230282 986417656 /nfs/dbraw/zinc/41/76/56/986417656.db2.gz YXNXZHOVBJEDQQ-INIZCTEOSA-N 2 1 409.958 3.636 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000444346065 986528364 /nfs/dbraw/zinc/52/83/64/986528364.db2.gz WJJFUVJLIZAIPM-GOSISDBHSA-N 2 1 421.545 3.682 20 0 HHADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)cc2)CC1 ZINC000444449091 986633872 /nfs/dbraw/zinc/63/38/72/986633872.db2.gz LVUKDCCPFAISTD-LJQANCHMSA-N 2 1 417.557 3.814 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)CCCOc2ccccc2C(N)=O)cc1F ZINC000469058885 986770210 /nfs/dbraw/zinc/77/02/10/986770210.db2.gz PPAXGTBDCKPKOV-INIZCTEOSA-N 2 1 410.493 3.756 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000444591275 986777559 /nfs/dbraw/zinc/77/75/59/986777559.db2.gz NCOXGIATOQHDQQ-OPAMFIHVSA-N 2 1 409.509 3.983 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000444591274 986777911 /nfs/dbraw/zinc/77/79/11/986777911.db2.gz NCOXGIATOQHDQQ-KSFYIVLOSA-N 2 1 409.509 3.983 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3nc(-c4ccccc4F)no3)CC2)CC1 ZINC000444601005 986787857 /nfs/dbraw/zinc/78/78/57/986787857.db2.gz XPEVEVYDXNQJIC-UHFFFAOYSA-N 2 1 415.557 3.504 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3nc(-c4ccccc4F)no3)CC2)CC1 ZINC000444601005 986787860 /nfs/dbraw/zinc/78/78/60/986787860.db2.gz XPEVEVYDXNQJIC-UHFFFAOYSA-N 2 1 415.557 3.504 20 0 HHADMP C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3cnn(-c4cc[nH+]cc4)c3C(F)F)cccc21 ZINC000469088733 986801522 /nfs/dbraw/zinc/80/15/22/986801522.db2.gz OZLRKHIPGKEYKS-QGZVFWFLSA-N 2 1 413.428 3.842 20 0 HHADMP O=C(CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)N1CCc2ccccc2C1 ZINC000444619387 986804646 /nfs/dbraw/zinc/80/46/46/986804646.db2.gz XFNPECAVBZLGKF-UHFFFAOYSA-N 2 1 417.597 3.950 20 0 HHADMP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1nc2ccccc2n1C(F)F ZINC000444665332 986849340 /nfs/dbraw/zinc/84/93/40/986849340.db2.gz OPKIFYRILFHNED-KXBFYZLASA-N 2 1 415.488 3.501 20 0 HHADMP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000469201636 986925415 /nfs/dbraw/zinc/92/54/15/986925415.db2.gz SGGTVNRXUCWJIK-GJZGRUSLSA-N 2 1 405.493 3.691 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000469334358 987042657 /nfs/dbraw/zinc/04/26/57/987042657.db2.gz NBFICJXERJBXAC-DEOSSOPVSA-N 2 1 415.541 3.769 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N[C@H](C[N@H+](C)Cc3ccccc3)C(C)C)CC2)[nH+]1 ZINC000469425106 987113166 /nfs/dbraw/zinc/11/31/66/987113166.db2.gz WRXXCHQYQBTZEJ-HSZRJFAPSA-N 2 1 423.605 3.815 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N[C@H](C[N@@H+](C)Cc3ccccc3)C(C)C)CC2)[nH+]1 ZINC000469425106 987113170 /nfs/dbraw/zinc/11/31/70/987113170.db2.gz WRXXCHQYQBTZEJ-HSZRJFAPSA-N 2 1 423.605 3.815 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N[C@@H](C[N@H+](C)Cc3ccccc3)C(C)C)CC2)[nH+]1 ZINC000469425107 987113384 /nfs/dbraw/zinc/11/33/84/987113384.db2.gz WRXXCHQYQBTZEJ-QHCPKHFHSA-N 2 1 423.605 3.815 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N[C@@H](C[N@@H+](C)Cc3ccccc3)C(C)C)CC2)[nH+]1 ZINC000469425107 987113389 /nfs/dbraw/zinc/11/33/89/987113389.db2.gz WRXXCHQYQBTZEJ-QHCPKHFHSA-N 2 1 423.605 3.815 20 0 HHADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000469440782 987127335 /nfs/dbraw/zinc/12/73/35/987127335.db2.gz NBOLAJBLKSRYQJ-DLBZAZTESA-N 2 1 417.504 3.932 20 0 HHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000469440782 987127339 /nfs/dbraw/zinc/12/73/39/987127339.db2.gz NBOLAJBLKSRYQJ-DLBZAZTESA-N 2 1 417.504 3.932 20 0 HHADMP CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccc(NC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000469561819 987232054 /nfs/dbraw/zinc/23/20/54/987232054.db2.gz HTXSLGBVKUEBJI-FGYAAKKASA-N 2 1 414.594 3.724 20 0 HHADMP CCN(C(=O)C[NH+]1[C@H](C)CC[C@@H]1C)c1ccc(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000469561819 987232059 /nfs/dbraw/zinc/23/20/59/987232059.db2.gz HTXSLGBVKUEBJI-FGYAAKKASA-N 2 1 414.594 3.724 20 0 HHADMP CCN(C(=O)C[NH+]1[C@H](C)CC[C@@H]1C)c1ccc(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000469561819 987232065 /nfs/dbraw/zinc/23/20/65/987232065.db2.gz HTXSLGBVKUEBJI-FGYAAKKASA-N 2 1 414.594 3.724 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000469696474 987354589 /nfs/dbraw/zinc/35/45/89/987354589.db2.gz VXKRKYDUWDQNDL-FQEVSTJZSA-N 2 1 400.526 3.984 20 0 HHADMP C[C@H]1C[C@@H](C(=O)N(C[C@H]2CC[NH+](Cc3ccccc3)C2)CC(F)(F)F)CC[N@H+]1C ZINC000469709212 987365044 /nfs/dbraw/zinc/36/50/44/987365044.db2.gz WDNDKLVTVHQVSR-IHPCNDPISA-N 2 1 411.512 3.630 20 0 HHADMP C[C@H]1C[C@@H](C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)CC[NH+]1C ZINC000469709212 987365050 /nfs/dbraw/zinc/36/50/50/987365050.db2.gz WDNDKLVTVHQVSR-IHPCNDPISA-N 2 1 411.512 3.630 20 0 HHADMP C[C@H]1C[C@@H](C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)CC[NH+]1C ZINC000469709212 987365055 /nfs/dbraw/zinc/36/50/55/987365055.db2.gz WDNDKLVTVHQVSR-IHPCNDPISA-N 2 1 411.512 3.630 20 0 HHADMP CCC[N@H+](CCOCC(F)(F)C(F)F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000469721340 987373973 /nfs/dbraw/zinc/37/39/73/987373973.db2.gz PRPCHNBAKXWFGJ-UHFFFAOYSA-N 2 1 406.468 3.691 20 0 HHADMP CCC[N@@H+](CCOCC(F)(F)C(F)F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000469721340 987373976 /nfs/dbraw/zinc/37/39/76/987373976.db2.gz PRPCHNBAKXWFGJ-UHFFFAOYSA-N 2 1 406.468 3.691 20 0 HHADMP CC(C)Oc1cccc(CNC(=O)C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000469759724 987413493 /nfs/dbraw/zinc/41/34/93/987413493.db2.gz CHUHOTVUJUJCSJ-ACWUQQCTSA-N 2 1 423.601 3.836 20 0 HHADMP CC(C)Oc1cccc(CNC(=O)C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000469759724 987413495 /nfs/dbraw/zinc/41/34/95/987413495.db2.gz CHUHOTVUJUJCSJ-ACWUQQCTSA-N 2 1 423.601 3.836 20 0 HHADMP Cc1ccc(CN(C(=O)C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C2CC2)o1 ZINC000469764078 987416557 /nfs/dbraw/zinc/41/65/57/987416557.db2.gz NGBRUXDMAXTJRN-OALUTQOASA-N 2 1 409.574 3.825 20 0 HHADMP C[C@H]([NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000469776781 987426407 /nfs/dbraw/zinc/42/64/07/987426407.db2.gz SMDSYGRFOIENJT-GSHUGGBRSA-N 2 1 405.533 3.698 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCCc1ccc(Cl)cc1 ZINC000469783321 987430138 /nfs/dbraw/zinc/43/01/38/987430138.db2.gz LYGPGLOTTPTXMI-HROJSSOGSA-N 2 1 413.993 3.745 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCCc1ccc(Cl)cc1 ZINC000469783321 987430146 /nfs/dbraw/zinc/43/01/46/987430146.db2.gz LYGPGLOTTPTXMI-HROJSSOGSA-N 2 1 413.993 3.745 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)cc1)C(C)C ZINC000469917323 987546253 /nfs/dbraw/zinc/54/62/53/987546253.db2.gz NHABAPNPGYHHDN-HSZRJFAPSA-N 2 1 401.595 3.634 20 0 HHADMP C[C@@H]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463956399 988067683 /nfs/dbraw/zinc/06/76/83/988067683.db2.gz ZFRQRPIDJPEZKP-IRLDBZIGSA-N 2 1 410.562 3.723 20 0 HHADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000470552538 988565918 /nfs/dbraw/zinc/56/59/18/988565918.db2.gz XJWJXTXVQLFFPQ-GGPKGHCWSA-N 2 1 411.512 3.772 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000464548600 988726374 /nfs/dbraw/zinc/72/63/74/988726374.db2.gz KVAHSBDFLLUOMW-FPOVZHCZSA-N 2 1 411.512 3.631 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000464548600 988726381 /nfs/dbraw/zinc/72/63/81/988726381.db2.gz KVAHSBDFLLUOMW-FPOVZHCZSA-N 2 1 411.512 3.631 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000464548600 988726388 /nfs/dbraw/zinc/72/63/88/988726388.db2.gz KVAHSBDFLLUOMW-FPOVZHCZSA-N 2 1 411.512 3.631 20 0 HHADMP C[C@@H](CNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000470729917 988760534 /nfs/dbraw/zinc/76/05/34/988760534.db2.gz MOPQXDJQIWHZPT-OFVILXPXSA-N 2 1 420.601 3.739 20 0 HHADMP C[C@@H](CNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000470729917 988760544 /nfs/dbraw/zinc/76/05/44/988760544.db2.gz MOPQXDJQIWHZPT-OFVILXPXSA-N 2 1 420.601 3.739 20 0 HHADMP C[C@@H](CNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000470729917 988760548 /nfs/dbraw/zinc/76/05/48/988760548.db2.gz MOPQXDJQIWHZPT-OFVILXPXSA-N 2 1 420.601 3.739 20 0 HHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000470732567 988764702 /nfs/dbraw/zinc/76/47/02/988764702.db2.gz JZMRRFJLRIDUEZ-DEOSSOPVSA-N 2 1 412.622 3.936 20 0 HHADMP CC1CC[NH+]([C@@H](CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c2ccccc2)CC1 ZINC000470733277 988766749 /nfs/dbraw/zinc/76/67/49/988766749.db2.gz QPMQQRLVRWOVKC-VWNXMTODSA-N 2 1 412.622 3.833 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)C1 ZINC000470735568 988770753 /nfs/dbraw/zinc/77/07/53/988770753.db2.gz CEDQSJRHVMYMDN-UNMCSNQZSA-N 2 1 412.622 3.792 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000470735568 988770764 /nfs/dbraw/zinc/77/07/64/988770764.db2.gz CEDQSJRHVMYMDN-UNMCSNQZSA-N 2 1 412.622 3.792 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000470735568 988770777 /nfs/dbraw/zinc/77/07/77/988770777.db2.gz CEDQSJRHVMYMDN-UNMCSNQZSA-N 2 1 412.622 3.792 20 0 HHADMP COc1cccc([C@@H](CNC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)c1 ZINC000470739841 988778314 /nfs/dbraw/zinc/77/83/14/988778314.db2.gz FZPOZZCUVJEEPB-LADGPHEKSA-N 2 1 424.589 3.604 20 0 HHADMP CN(C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470748191 988788829 /nfs/dbraw/zinc/78/88/29/988788829.db2.gz VDAGWHDDPZLPHF-PMACEKPBSA-N 2 1 400.592 3.657 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@@H](O)Cc3ccc4ccccc4c3)CC2)CC1 ZINC000470760647 988802497 /nfs/dbraw/zinc/80/24/97/988802497.db2.gz DFBJAARXFZXNMO-MHZLTWQESA-N 2 1 423.645 3.871 20 0 HHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000470760647 988802512 /nfs/dbraw/zinc/80/25/12/988802512.db2.gz DFBJAARXFZXNMO-MHZLTWQESA-N 3 1 423.645 3.871 20 0 HHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000470760647 988802521 /nfs/dbraw/zinc/80/25/21/988802521.db2.gz DFBJAARXFZXNMO-MHZLTWQESA-N 3 1 423.645 3.871 20 0 HHADMP O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000470889734 988962475 /nfs/dbraw/zinc/96/24/75/988962475.db2.gz RKFTUJNFWUKAHZ-IFMALSPDSA-N 2 1 419.013 3.822 20 0 HHADMP O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000470889734 988962480 /nfs/dbraw/zinc/96/24/80/988962480.db2.gz RKFTUJNFWUKAHZ-IFMALSPDSA-N 2 1 419.013 3.822 20 0 HHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000470891234 988964349 /nfs/dbraw/zinc/96/43/49/988964349.db2.gz YTCBKFPRVCWMNX-QKNQBKEWSA-N 2 1 404.624 3.504 20 0 HHADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000470891234 988964356 /nfs/dbraw/zinc/96/43/56/988964356.db2.gz YTCBKFPRVCWMNX-QKNQBKEWSA-N 2 1 404.624 3.504 20 0 HHADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000470891234 988964363 /nfs/dbraw/zinc/96/43/63/988964363.db2.gz YTCBKFPRVCWMNX-QKNQBKEWSA-N 2 1 404.624 3.504 20 0 HHADMP C[C@H](CNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000470900624 988974729 /nfs/dbraw/zinc/97/47/29/988974729.db2.gz QUOPFMZWXSBENT-QPPBQGQZSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@H](CNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000470900624 988974737 /nfs/dbraw/zinc/97/47/37/988974737.db2.gz QUOPFMZWXSBENT-QPPBQGQZSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@H](CNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000470900624 988974753 /nfs/dbraw/zinc/97/47/53/988974753.db2.gz QUOPFMZWXSBENT-QPPBQGQZSA-N 2 1 408.590 3.813 20 0 HHADMP COc1ccccc1N1CC[C@@H]([NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000464870737 989130544 /nfs/dbraw/zinc/13/05/44/989130544.db2.gz RUWPBTBKTCPEAP-HSZRJFAPSA-N 2 1 407.558 3.645 20 0 HHADMP COc1ccccc1N1CC[C@@H]([NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000464870737 989130550 /nfs/dbraw/zinc/13/05/50/989130550.db2.gz RUWPBTBKTCPEAP-HSZRJFAPSA-N 2 1 407.558 3.645 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000465010362 989326369 /nfs/dbraw/zinc/32/63/69/989326369.db2.gz NWHRCRANXMYSFW-IBGZPJMESA-N 2 1 407.002 3.582 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC[C@H]3CC[NH+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000471273258 989422875 /nfs/dbraw/zinc/42/28/75/989422875.db2.gz OAMIRDZYIDOFTD-ZFGGDYGUSA-N 2 1 421.585 3.548 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC[C@H]3CC[NH+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000471273258 989422884 /nfs/dbraw/zinc/42/28/84/989422884.db2.gz OAMIRDZYIDOFTD-ZFGGDYGUSA-N 2 1 421.585 3.548 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000471273258 989422895 /nfs/dbraw/zinc/42/28/95/989422895.db2.gz OAMIRDZYIDOFTD-ZFGGDYGUSA-N 2 1 421.585 3.548 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000471273258 989422906 /nfs/dbraw/zinc/42/29/06/989422906.db2.gz OAMIRDZYIDOFTD-ZFGGDYGUSA-N 2 1 421.585 3.548 20 0 HHADMP C[C@H](c1ccc(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000471288032 989445590 /nfs/dbraw/zinc/44/55/90/989445590.db2.gz PSJWTMRCQBWMDA-IFMALSPDSA-N 2 1 422.573 3.723 20 0 HHADMP C[C@H](c1ccc(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000471288032 989445595 /nfs/dbraw/zinc/44/55/95/989445595.db2.gz PSJWTMRCQBWMDA-IFMALSPDSA-N 2 1 422.573 3.723 20 0 HHADMP CC1(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000471385418 989564966 /nfs/dbraw/zinc/56/49/66/989564966.db2.gz MQYANSSIEVWFRX-PLQXJYEYSA-N 2 1 417.597 3.879 20 0 HHADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCC(C)(C)Cc1cccc(Cl)c1 ZINC000465229551 989579266 /nfs/dbraw/zinc/57/92/66/989579266.db2.gz YZSCUMMCYASMGG-UHFFFAOYSA-N 2 1 409.018 3.576 20 0 HHADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCC(C)(C)Cc1cccc(Cl)c1 ZINC000465229551 989579284 /nfs/dbraw/zinc/57/92/84/989579284.db2.gz YZSCUMMCYASMGG-UHFFFAOYSA-N 2 1 409.018 3.576 20 0 HHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471535474 989734960 /nfs/dbraw/zinc/73/49/60/989734960.db2.gz FKSFWTSXKPSTCO-QFIPXVFZSA-N 2 1 408.590 3.850 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465429445 989774540 /nfs/dbraw/zinc/77/45/40/989774540.db2.gz NSHROEFOTLANPM-RPBOFIJWSA-N 2 1 420.601 3.815 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000465429445 989774549 /nfs/dbraw/zinc/77/45/49/989774549.db2.gz NSHROEFOTLANPM-RPBOFIJWSA-N 2 1 420.601 3.815 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000465429445 989774554 /nfs/dbraw/zinc/77/45/54/989774554.db2.gz NSHROEFOTLANPM-RPBOFIJWSA-N 2 1 420.601 3.815 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000465436167 989781502 /nfs/dbraw/zinc/78/15/02/989781502.db2.gz UPBRRLDKRAPXSL-IBGZPJMESA-N 2 1 403.596 3.806 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000471610994 989815635 /nfs/dbraw/zinc/81/56/35/989815635.db2.gz PBGCFISOSOGUCZ-XMMPIXPASA-N 2 1 420.601 3.515 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cc2)C1 ZINC000465516029 989868778 /nfs/dbraw/zinc/86/87/78/989868778.db2.gz AMRGCUXPRDCMJE-LVZYQIDLSA-N 2 1 412.622 3.979 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)[NH+]1CCC[C@H](C)C1 ZINC000465535468 989898172 /nfs/dbraw/zinc/89/81/72/989898172.db2.gz BCTGEQDNZZAAKC-QZNHQXDQSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000465535468 989898180 /nfs/dbraw/zinc/89/81/80/989898180.db2.gz BCTGEQDNZZAAKC-QZNHQXDQSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000465535468 989898189 /nfs/dbraw/zinc/89/81/89/989898189.db2.gz BCTGEQDNZZAAKC-QZNHQXDQSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000465542387 989905626 /nfs/dbraw/zinc/90/56/26/989905626.db2.gz KCZSRKAQMLNYOD-IFMALSPDSA-N 2 1 414.619 3.904 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000465550357 989913217 /nfs/dbraw/zinc/91/32/17/989913217.db2.gz WZBXIAHLIGVPKU-WOJBJXKFSA-N 2 1 411.594 3.949 20 0 HHADMP C[C@H](CNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[NH+]1CCCC[C@@H]1C ZINC000465554716 989918240 /nfs/dbraw/zinc/91/82/40/989918240.db2.gz YBYWVCUVQGCFBH-VQTJNVASSA-N 2 1 412.578 3.974 20 0 HHADMP C[C@H](CNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[NH+]1CCCC[C@@H]1C ZINC000465554716 989918246 /nfs/dbraw/zinc/91/82/46/989918246.db2.gz YBYWVCUVQGCFBH-VQTJNVASSA-N 2 1 412.578 3.974 20 0 HHADMP C[C@H](CNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)[N@@H+]1CCCC[C@@H]1C ZINC000465554716 989918256 /nfs/dbraw/zinc/91/82/56/989918256.db2.gz YBYWVCUVQGCFBH-VQTJNVASSA-N 2 1 412.578 3.974 20 0 HHADMP C[C@H](CNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)[N@H+]1CCCC[C@@H]1C ZINC000465554716 989918268 /nfs/dbraw/zinc/91/82/68/989918268.db2.gz YBYWVCUVQGCFBH-VQTJNVASSA-N 2 1 412.578 3.974 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000471732966 989929160 /nfs/dbraw/zinc/92/91/60/989929160.db2.gz BBMWFEREGRUONW-RUZDIDTESA-N 2 1 420.601 3.720 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)NCc3ccccc3C[N@@H+](C)C(C)C)CC2)[nH+]c1 ZINC000465565490 989931874 /nfs/dbraw/zinc/93/18/74/989931874.db2.gz ISPJEAJLLLHVPY-UHFFFAOYSA-N 2 1 409.578 3.698 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)NCc3ccccc3C[N@H+](C)C(C)C)CC2)[nH+]c1 ZINC000465565490 989931885 /nfs/dbraw/zinc/93/18/85/989931885.db2.gz ISPJEAJLLLHVPY-UHFFFAOYSA-N 2 1 409.578 3.698 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000465577571 989947647 /nfs/dbraw/zinc/94/76/47/989947647.db2.gz SXJBTANVILUGFB-NZQKXSOJSA-N 2 1 400.611 3.934 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000465577571 989947654 /nfs/dbraw/zinc/94/76/54/989947654.db2.gz SXJBTANVILUGFB-NZQKXSOJSA-N 2 1 400.611 3.934 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000465577571 989947663 /nfs/dbraw/zinc/94/76/63/989947663.db2.gz SXJBTANVILUGFB-NZQKXSOJSA-N 2 1 400.611 3.934 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000465586784 989961654 /nfs/dbraw/zinc/96/16/54/989961654.db2.gz BWLVBMQECPLPHQ-QFIPXVFZSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465588034 989964489 /nfs/dbraw/zinc/96/44/89/989964489.db2.gz DEVRTLDJGSKSPW-AKFKNWHVSA-N 2 1 414.638 3.908 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000465589813 989967260 /nfs/dbraw/zinc/96/72/60/989967260.db2.gz DLUPVXMHXNQRNZ-FGZHOGPDSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000465589813 989967267 /nfs/dbraw/zinc/96/72/67/989967267.db2.gz DLUPVXMHXNQRNZ-FGZHOGPDSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000465589813 989967276 /nfs/dbraw/zinc/96/72/76/989967276.db2.gz DLUPVXMHXNQRNZ-FGZHOGPDSA-N 2 1 400.611 3.805 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000465593859 989972893 /nfs/dbraw/zinc/97/28/93/989972893.db2.gz HMOPEAUISYGQEZ-QHCPKHFHSA-N 2 1 400.611 3.662 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465613872 989999395 /nfs/dbraw/zinc/99/93/95/989999395.db2.gz ZRZHCCYOOYCPDA-GMAHTHKFSA-N 2 1 400.611 3.662 20 0 HHADMP C[C@H]1CCC[NH+](CCCCNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465613872 989999402 /nfs/dbraw/zinc/99/94/02/989999402.db2.gz ZRZHCCYOOYCPDA-GMAHTHKFSA-N 2 1 400.611 3.662 20 0 HHADMP C[C@H]1CCC[NH+](CCCCNC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465613872 989999407 /nfs/dbraw/zinc/99/94/07/989999407.db2.gz ZRZHCCYOOYCPDA-GMAHTHKFSA-N 2 1 400.611 3.662 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000465630641 990016867 /nfs/dbraw/zinc/01/68/67/990016867.db2.gz JFJRPYJJDOWKHY-QFIPXVFZSA-N 2 1 400.611 3.805 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000465632456 990018451 /nfs/dbraw/zinc/01/84/51/990018451.db2.gz NUQFQCDREPOLJM-TZIWHRDSSA-N 2 1 400.592 3.692 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000465676577 990062040 /nfs/dbraw/zinc/06/20/40/990062040.db2.gz ABQODXUZCRXDIO-GMAHTHKFSA-N 2 1 400.611 3.662 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000465688393 990072729 /nfs/dbraw/zinc/07/27/29/990072729.db2.gz MFSIZHHCHGFHAL-UHFFFAOYSA-N 2 1 412.578 3.974 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000465688393 990072738 /nfs/dbraw/zinc/07/27/38/990072738.db2.gz MFSIZHHCHGFHAL-UHFFFAOYSA-N 2 1 412.578 3.974 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000465739402 990124691 /nfs/dbraw/zinc/12/46/91/990124691.db2.gz DZVPRWBAKBPJLE-HYVLGVRCSA-N 2 1 414.638 3.906 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000465739402 990124697 /nfs/dbraw/zinc/12/46/97/990124697.db2.gz DZVPRWBAKBPJLE-HYVLGVRCSA-N 2 1 414.638 3.906 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000465739402 990124699 /nfs/dbraw/zinc/12/46/99/990124699.db2.gz DZVPRWBAKBPJLE-HYVLGVRCSA-N 2 1 414.638 3.906 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000465739403 990124869 /nfs/dbraw/zinc/12/48/69/990124869.db2.gz DZVPRWBAKBPJLE-JTOYRKQZSA-N 2 1 414.638 3.906 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000465739403 990124877 /nfs/dbraw/zinc/12/48/77/990124877.db2.gz DZVPRWBAKBPJLE-JTOYRKQZSA-N 2 1 414.638 3.906 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000465739403 990124884 /nfs/dbraw/zinc/12/48/84/990124884.db2.gz DZVPRWBAKBPJLE-JTOYRKQZSA-N 2 1 414.638 3.906 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000465740551 990126382 /nfs/dbraw/zinc/12/63/82/990126382.db2.gz GNWKTWYLGBJRPP-DLBZAZTESA-N 2 1 414.516 3.824 20 0 HHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000465745156 990130286 /nfs/dbraw/zinc/13/02/86/990130286.db2.gz QMGAOISIARCUKH-FIRLOTFOSA-N 2 1 406.640 3.797 20 0 HHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000465745156 990130291 /nfs/dbraw/zinc/13/02/91/990130291.db2.gz QMGAOISIARCUKH-FIRLOTFOSA-N 2 1 406.640 3.797 20 0 HHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000465745156 990130295 /nfs/dbraw/zinc/13/02/95/990130295.db2.gz QMGAOISIARCUKH-FIRLOTFOSA-N 2 1 406.640 3.797 20 0 HHADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000465762482 990147908 /nfs/dbraw/zinc/14/79/08/990147908.db2.gz SXPIFLIYQYAXCA-WOJBJXKFSA-N 2 1 412.578 3.831 20 0 HHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000465762482 990147914 /nfs/dbraw/zinc/14/79/14/990147914.db2.gz SXPIFLIYQYAXCA-WOJBJXKFSA-N 2 1 412.578 3.831 20 0 HHADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000465762482 990147918 /nfs/dbraw/zinc/14/79/18/990147918.db2.gz SXPIFLIYQYAXCA-WOJBJXKFSA-N 2 1 412.578 3.831 20 0 HHADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000465762482 990147922 /nfs/dbraw/zinc/14/79/22/990147922.db2.gz SXPIFLIYQYAXCA-WOJBJXKFSA-N 2 1 412.578 3.831 20 0 HHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000465819661 990202823 /nfs/dbraw/zinc/20/28/23/990202823.db2.gz VYJHOUUMZBUEGQ-VQTJNVASSA-N 2 1 404.624 3.524 20 0 HHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000465819661 990202831 /nfs/dbraw/zinc/20/28/31/990202831.db2.gz VYJHOUUMZBUEGQ-VQTJNVASSA-N 2 1 404.624 3.524 20 0 HHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465819661 990202837 /nfs/dbraw/zinc/20/28/37/990202837.db2.gz VYJHOUUMZBUEGQ-VQTJNVASSA-N 2 1 404.624 3.524 20 0 HHADMP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465825075 990208572 /nfs/dbraw/zinc/20/85/72/990208572.db2.gz BEKZQQZDGOYISU-HXUWFJFHSA-N 2 1 404.624 3.524 20 0 HHADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000472061315 990224579 /nfs/dbraw/zinc/22/45/79/990224579.db2.gz CMGPQJAJKJXUIA-SGRGSNTQSA-N 2 1 400.611 3.660 20 0 HHADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000465860849 990971521 /nfs/dbraw/zinc/97/15/21/990971521.db2.gz DCHMSZHTAABWFE-QHCPKHFHSA-N 2 1 400.611 3.505 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000465866417 990977693 /nfs/dbraw/zinc/97/76/93/990977693.db2.gz WDSMPGJGBJXBDI-IRXDYDNUSA-N 2 1 409.644 3.559 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC[N@@H+]1C ZINC000465878858 990996483 /nfs/dbraw/zinc/99/64/83/990996483.db2.gz YAPPDTDSLFPCOP-PBHICJAKSA-N 2 1 413.393 3.740 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC[N@H+]1C ZINC000465878858 990996490 /nfs/dbraw/zinc/99/64/90/990996490.db2.gz YAPPDTDSLFPCOP-PBHICJAKSA-N 2 1 413.393 3.740 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000465890881 991016268 /nfs/dbraw/zinc/01/62/68/991016268.db2.gz AMTKZLZFRSRCAG-PKTZIBPZSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000465890881 991016272 /nfs/dbraw/zinc/01/62/72/991016272.db2.gz AMTKZLZFRSRCAG-PKTZIBPZSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000465890881 991016278 /nfs/dbraw/zinc/01/62/78/991016278.db2.gz AMTKZLZFRSRCAG-PKTZIBPZSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000465895528 991021950 /nfs/dbraw/zinc/02/19/50/991021950.db2.gz BZGVESIGMTZLEJ-FUPPJEDESA-N 2 1 400.611 3.803 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000465895528 991021955 /nfs/dbraw/zinc/02/19/55/991021955.db2.gz BZGVESIGMTZLEJ-FUPPJEDESA-N 2 1 400.611 3.803 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000465895528 991021965 /nfs/dbraw/zinc/02/19/65/991021965.db2.gz BZGVESIGMTZLEJ-FUPPJEDESA-N 2 1 400.611 3.803 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)NCC(C)(C)[NH2+][C@H](C)c3ccccc3)CC2)[nH+]c1 ZINC000465920323 991052469 /nfs/dbraw/zinc/05/24/69/991052469.db2.gz NPEHTLYFJPJYTR-LJQANCHMSA-N 2 1 409.578 3.787 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000465924430 991056929 /nfs/dbraw/zinc/05/69/29/991056929.db2.gz GCGZRXBMTVMHAS-IBGZPJMESA-N 2 1 423.483 3.564 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000465924430 991056934 /nfs/dbraw/zinc/05/69/34/991056934.db2.gz GCGZRXBMTVMHAS-IBGZPJMESA-N 2 1 423.483 3.564 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000465934613 991070540 /nfs/dbraw/zinc/07/05/40/991070540.db2.gz YCOMPYBRNOETQO-OAQYLSRUSA-N 2 1 400.611 3.936 20 0 HHADMP CC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC)c1ccc(Cl)s1 ZINC000465939289 991077013 /nfs/dbraw/zinc/07/70/13/991077013.db2.gz RVBORJOETZLPGN-JKSUJKDBSA-N 2 1 401.020 3.910 20 0 HHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(CC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465962410 991106881 /nfs/dbraw/zinc/10/68/81/991106881.db2.gz YSKZGUOFZIYWTN-XZOQPEGZSA-N 2 1 400.611 3.805 20 0 HHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000465962410 991106888 /nfs/dbraw/zinc/10/68/88/991106888.db2.gz YSKZGUOFZIYWTN-XZOQPEGZSA-N 2 1 400.611 3.805 20 0 HHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000465962410 991106893 /nfs/dbraw/zinc/10/68/93/991106893.db2.gz YSKZGUOFZIYWTN-XZOQPEGZSA-N 2 1 400.611 3.805 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)[C@H]1c1cccs1 ZINC000466073653 991247098 /nfs/dbraw/zinc/24/70/98/991247098.db2.gz DKIVWGXNWBAVJW-DYXWJJEUSA-N 2 1 404.624 3.695 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)[C@H]1c1cccs1 ZINC000466073653 991247111 /nfs/dbraw/zinc/24/71/11/991247111.db2.gz DKIVWGXNWBAVJW-DYXWJJEUSA-N 2 1 404.624 3.695 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)[C@H]1c1cccs1 ZINC000466073653 991247124 /nfs/dbraw/zinc/24/71/24/991247124.db2.gz DKIVWGXNWBAVJW-DYXWJJEUSA-N 2 1 404.624 3.695 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)[C@H]1c1cccs1 ZINC000466082781 991259996 /nfs/dbraw/zinc/25/99/96/991259996.db2.gz WNUOLMPIUAAUJY-SBHAEUEKSA-N 2 1 404.624 3.791 20 0 HHADMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)N2CC[C@@H](C)Sc3ccccc32)CC1 ZINC000466729053 992040006 /nfs/dbraw/zinc/04/00/06/992040006.db2.gz LDKPIIVVPJWHFE-LJQANCHMSA-N 2 1 419.635 3.727 20 0 HHADMP C[C@H](NC(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000466796704 992103039 /nfs/dbraw/zinc/10/30/39/992103039.db2.gz RFBAWUKNMMPOAO-GBXCKJPGSA-N 2 1 408.590 3.501 20 0 HHADMP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466912438 992227689 /nfs/dbraw/zinc/22/76/89/992227689.db2.gz KIMAYEZLIHCLLA-MRXNPFEDSA-N 2 1 413.484 3.609 20 0 HHADMP COc1ccccc1-c1nc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cs1 ZINC000467200680 992525187 /nfs/dbraw/zinc/52/51/87/992525187.db2.gz GSEDWHJVEIJLBJ-UHFFFAOYSA-N 2 1 401.576 3.896 20 0 HHADMP O=C(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)Nc1ccccc1-c1ccccc1 ZINC000467202908 992528134 /nfs/dbraw/zinc/52/81/34/992528134.db2.gz SSZOJJNRGPWAOB-UHFFFAOYSA-N 2 1 407.558 3.869 20 0 HHADMP O=C(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)Nc1ccccc1Cc1ccccc1 ZINC000467207488 992532338 /nfs/dbraw/zinc/53/23/38/992532338.db2.gz OSAIFFSWPQZAOT-UHFFFAOYSA-N 2 1 421.585 3.793 20 0 HHADMP O=C(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000467207910 992533140 /nfs/dbraw/zinc/53/31/40/992533140.db2.gz QLOJFNIRLYQZEJ-VWLOTQADSA-N 2 1 413.606 3.611 20 0 HHADMP C[C@@H](c1ccc(NC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000467495166 992780813 /nfs/dbraw/zinc/78/08/13/992780813.db2.gz UPOLNXIROHPYLV-NMMYMHLASA-N 2 1 422.573 3.864 20 0 HHADMP C[C@@H](c1ccc(NC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000467495166 992780820 /nfs/dbraw/zinc/78/08/20/992780820.db2.gz UPOLNXIROHPYLV-NMMYMHLASA-N 2 1 422.573 3.864 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C[N@H+]1Cc1ccccc1 ZINC000467690239 992946120 /nfs/dbraw/zinc/94/61/20/992946120.db2.gz CNFIYPVAQZIHAK-AUSIDOKSSA-N 2 1 409.599 3.628 20 0 HHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000472280211 993299555 /nfs/dbraw/zinc/29/95/55/993299555.db2.gz RSJBZRIIPNOEQJ-CPJLOUKISA-N 2 1 407.407 3.534 20 0 HHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000472280211 993299562 /nfs/dbraw/zinc/29/95/62/993299562.db2.gz RSJBZRIIPNOEQJ-CPJLOUKISA-N 2 1 407.407 3.534 20 0 HHADMP C[C@H](c1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000472330324 993339807 /nfs/dbraw/zinc/33/98/07/993339807.db2.gz UMHBARQZOMPWSY-YSZBQJHXSA-N 2 1 408.546 3.647 20 0 HHADMP C[C@H](c1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000472330324 993339813 /nfs/dbraw/zinc/33/98/13/993339813.db2.gz UMHBARQZOMPWSY-YSZBQJHXSA-N 2 1 408.546 3.647 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472366140 993362935 /nfs/dbraw/zinc/36/29/35/993362935.db2.gz HTRCBRLAFLGSRB-WIOPSUGQSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472366140 993362941 /nfs/dbraw/zinc/36/29/41/993362941.db2.gz HTRCBRLAFLGSRB-WIOPSUGQSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472366140 993362946 /nfs/dbraw/zinc/36/29/46/993362946.db2.gz HTRCBRLAFLGSRB-WIOPSUGQSA-N 2 1 420.601 3.815 20 0 HHADMP O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000480724542 993591988 /nfs/dbraw/zinc/59/19/88/993591988.db2.gz CEXRCSMWYTWVSC-OAQYLSRUSA-N 2 1 424.589 3.567 20 0 HHADMP O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480724542 993592001 /nfs/dbraw/zinc/59/20/01/993592001.db2.gz CEXRCSMWYTWVSC-OAQYLSRUSA-N 2 1 424.589 3.567 20 0 HHADMP Cc1cccc([C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)N2CCOCC2)c1 ZINC000480780541 993647213 /nfs/dbraw/zinc/64/72/13/993647213.db2.gz QUMRUYGVYHDMHN-DFCKQENNSA-N 2 1 407.602 3.869 20 0 HHADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000480834090 993709121 /nfs/dbraw/zinc/70/91/21/993709121.db2.gz OEHAAZDTQWOIBV-DEOSSOPVSA-N 2 1 405.517 3.996 20 0 HHADMP CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)cc1 ZINC000480878424 993743116 /nfs/dbraw/zinc/74/31/16/993743116.db2.gz FQIWSQIKZWAARJ-LJQANCHMSA-N 2 1 411.546 3.597 20 0 HHADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000480906304 993762502 /nfs/dbraw/zinc/76/25/02/993762502.db2.gz YBNJLUXNPURBMN-FQEVSTJZSA-N 2 1 423.605 3.815 20 0 HHADMP CC[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccc(OC)cc1 ZINC000480913305 993768435 /nfs/dbraw/zinc/76/84/35/993768435.db2.gz WURSOEBSXXGXAY-QHCPKHFHSA-N 2 1 411.546 3.597 20 0 HHADMP CC1(C)Cc2occc2[C@@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000480914627 993770280 /nfs/dbraw/zinc/77/02/80/993770280.db2.gz ZPACQKBIRLPHIC-NRFANRHFSA-N 2 1 411.546 3.744 20 0 HHADMP CC[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccccc1OC ZINC000480918614 993772809 /nfs/dbraw/zinc/77/28/09/993772809.db2.gz BZHKAQXOKBIYTK-JOCHJYFZSA-N 2 1 411.546 3.597 20 0 HHADMP CCS[C@@H]1CCCC[N@@H+](CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C1 ZINC000481023170 993867257 /nfs/dbraw/zinc/86/72/57/993867257.db2.gz XBQSDPDRXZXCMG-JOCHJYFZSA-N 2 1 403.636 3.637 20 0 HHADMP CCS[C@@H]1CCCC[NH+](CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)C1 ZINC000481023170 993867265 /nfs/dbraw/zinc/86/72/65/993867265.db2.gz XBQSDPDRXZXCMG-JOCHJYFZSA-N 2 1 403.636 3.637 20 0 HHADMP CCS[C@@H]1CCCC[NH+](CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)C1 ZINC000481023170 993867275 /nfs/dbraw/zinc/86/72/75/993867275.db2.gz XBQSDPDRXZXCMG-JOCHJYFZSA-N 2 1 403.636 3.637 20 0 HHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCOc3ccc(I)cc32)C1 ZINC000481049812 993892813 /nfs/dbraw/zinc/89/28/13/993892813.db2.gz NTWYNDPLLKTXOJ-RHSMWYFYSA-N 2 1 414.331 3.826 20 0 HHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1)c1ccco1 ZINC000481096712 993934252 /nfs/dbraw/zinc/93/42/52/993934252.db2.gz XKSAXJPXGCOJGT-LZLYRXPVSA-N 2 1 404.580 3.516 20 0 HHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1)c1ccco1 ZINC000481096712 993934260 /nfs/dbraw/zinc/93/42/60/993934260.db2.gz XKSAXJPXGCOJGT-LZLYRXPVSA-N 2 1 404.580 3.516 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000481168567 993999443 /nfs/dbraw/zinc/99/94/43/993999443.db2.gz MOBLXNJEJZPAGY-LPHOPBHVSA-N 2 1 405.995 3.860 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000481168567 993999453 /nfs/dbraw/zinc/99/94/53/993999453.db2.gz MOBLXNJEJZPAGY-LPHOPBHVSA-N 2 1 405.995 3.860 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000481172391 994003210 /nfs/dbraw/zinc/00/32/10/994003210.db2.gz IPXODFJGHCNTHX-VGOFRKELSA-N 2 1 417.956 3.938 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000481172391 994003218 /nfs/dbraw/zinc/00/32/18/994003218.db2.gz IPXODFJGHCNTHX-VGOFRKELSA-N 2 1 417.956 3.938 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000481172385 994003411 /nfs/dbraw/zinc/00/34/11/994003411.db2.gz IPXODFJGHCNTHX-HTAPYJJXSA-N 2 1 417.956 3.938 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000481172385 994003431 /nfs/dbraw/zinc/00/34/31/994003431.db2.gz IPXODFJGHCNTHX-HTAPYJJXSA-N 2 1 417.956 3.938 20 0 HHADMP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481173727 994004211 /nfs/dbraw/zinc/00/42/11/994004211.db2.gz JTMHWPNQCNGQDJ-PNCHPQGNSA-N 2 1 415.528 3.984 20 0 HHADMP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481173727 994004221 /nfs/dbraw/zinc/00/42/21/994004221.db2.gz JTMHWPNQCNGQDJ-PNCHPQGNSA-N 2 1 415.528 3.984 20 0 HHADMP CC(C)Oc1cccc(CNC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481176583 994006552 /nfs/dbraw/zinc/00/65/52/994006552.db2.gz MAELQEXSOPGVGC-HYBUGGRVSA-N 2 1 409.574 3.590 20 0 HHADMP CC(C)Oc1cccc(CNC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481176583 994006562 /nfs/dbraw/zinc/00/65/62/994006562.db2.gz MAELQEXSOPGVGC-HYBUGGRVSA-N 2 1 409.574 3.590 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)COc1ccccc1C(F)(F)F ZINC000481184285 994015024 /nfs/dbraw/zinc/01/50/24/994015024.db2.gz BDOMPGZMFVUHNG-SLYNCCJLSA-N 2 1 422.491 3.945 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000481184286 994015097 /nfs/dbraw/zinc/01/50/97/994015097.db2.gz BDOMPGZMFVUHNG-YFVAEKQCSA-N 2 1 422.491 3.945 20 0 HHADMP CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)c2C1 ZINC000473281364 994130246 /nfs/dbraw/zinc/13/02/46/994130246.db2.gz FLPZQDZANCCWNR-IBGZPJMESA-N 2 1 416.610 3.610 20 0 HHADMP O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000473520686 994375338 /nfs/dbraw/zinc/37/53/38/994375338.db2.gz NWPRIYGWTHVKIU-MHJFOBGBSA-N 2 1 409.496 3.573 20 0 HHADMP O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000473520687 994375696 /nfs/dbraw/zinc/37/56/96/994375696.db2.gz NWPRIYGWTHVKIU-SOAGJPPSSA-N 2 1 409.496 3.573 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000481577148 994415283 /nfs/dbraw/zinc/41/52/83/994415283.db2.gz SLZPVIKIYKPMDM-YGOYIFOWSA-N 2 1 407.558 3.804 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000481577148 994415288 /nfs/dbraw/zinc/41/52/88/994415288.db2.gz SLZPVIKIYKPMDM-YGOYIFOWSA-N 2 1 407.558 3.804 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000481585812 994429497 /nfs/dbraw/zinc/42/94/97/994429497.db2.gz WOQXEJUILFFGFG-ROUUACIJSA-N 2 1 407.558 3.988 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000481585812 994429510 /nfs/dbraw/zinc/42/95/10/994429510.db2.gz WOQXEJUILFFGFG-ROUUACIJSA-N 2 1 407.558 3.988 20 0 HHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000473744651 994647698 /nfs/dbraw/zinc/64/76/98/994647698.db2.gz QKOCBOJTZOWPFQ-QHCPKHFHSA-N 2 1 400.611 3.936 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)c2)CC1 ZINC000473820260 994748745 /nfs/dbraw/zinc/74/87/45/994748745.db2.gz VEJDNVNXFFVTKL-QHCPKHFHSA-N 2 1 421.589 3.615 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3CC[N@H+]([C@H](C)c4ccccc4)C3)c2)CC1 ZINC000473835361 994768700 /nfs/dbraw/zinc/76/87/00/994768700.db2.gz KMBZMZXDVNAMKI-NFBKMPQASA-N 2 1 421.589 3.786 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)NCCC[N@@H+](C)C3CCCCC3)c2)CC1 ZINC000473839064 994773880 /nfs/dbraw/zinc/77/38/80/994773880.db2.gz YAPQTRNFURKNML-UHFFFAOYSA-N 2 1 401.599 3.605 20 0 HHADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481912854 994784943 /nfs/dbraw/zinc/78/49/43/994784943.db2.gz ZJBRDQZTMVENJZ-MAUKXSAKSA-N 2 1 402.004 3.553 20 0 HHADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481912854 994784955 /nfs/dbraw/zinc/78/49/55/994784955.db2.gz ZJBRDQZTMVENJZ-MAUKXSAKSA-N 2 1 402.004 3.553 20 0 HHADMP CCN(C(=O)NC1CC[NH+](CC(C)C)CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473875468 994819454 /nfs/dbraw/zinc/81/94/54/994819454.db2.gz NQMMYUMBTFMZGI-NFBKMPQASA-N 2 1 400.611 3.974 20 0 HHADMP Cc1ccc(NCCCNC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)[nH+]c1 ZINC000473953455 994932041 /nfs/dbraw/zinc/93/20/41/994932041.db2.gz UHLRNAGKCJUGKB-WOJBJXKFSA-N 2 1 409.578 3.648 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000474004982 994994990 /nfs/dbraw/zinc/99/49/90/994994990.db2.gz KBBDUELSKSLXPK-NPHXMPSESA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N(C)CC[NH+](C)C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474014414 995005606 /nfs/dbraw/zinc/00/56/06/995005606.db2.gz WCEVUMRBPKBTLN-UXHICEINSA-N 2 1 410.965 3.739 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N(C)CC[NH+](C)C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474014414 995005613 /nfs/dbraw/zinc/00/56/13/995005613.db2.gz WCEVUMRBPKBTLN-UXHICEINSA-N 2 1 410.965 3.739 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474014414 995005626 /nfs/dbraw/zinc/00/56/26/995005626.db2.gz WCEVUMRBPKBTLN-UXHICEINSA-N 2 1 410.965 3.739 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474014414 995005634 /nfs/dbraw/zinc/00/56/34/995005634.db2.gz WCEVUMRBPKBTLN-UXHICEINSA-N 2 1 410.965 3.739 20 0 HHADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000482139340 995089263 /nfs/dbraw/zinc/08/92/63/995089263.db2.gz CTUAMZIJESNDJW-AEFFLSMTSA-N 2 1 423.985 3.930 20 0 HHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000482146935 995098237 /nfs/dbraw/zinc/09/82/37/995098237.db2.gz QGUNKFNVPPUFKR-DLBZAZTESA-N 2 1 407.605 3.682 20 0 HHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000482146935 995098241 /nfs/dbraw/zinc/09/82/41/995098241.db2.gz QGUNKFNVPPUFKR-DLBZAZTESA-N 2 1 407.605 3.682 20 0 HHADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCc1ccc(C(=O)OC)o1 ZINC000482211608 995195489 /nfs/dbraw/zinc/19/54/89/995195489.db2.gz KHPAQJBNPNHZQB-FUHWJXTLSA-N 2 1 416.518 3.616 20 0 HHADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCc1ccc(C(=O)OC)o1 ZINC000482211608 995195497 /nfs/dbraw/zinc/19/54/97/995195497.db2.gz KHPAQJBNPNHZQB-FUHWJXTLSA-N 2 1 416.518 3.616 20 0 HHADMP CC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccccc1Br ZINC000482235671 995218861 /nfs/dbraw/zinc/21/88/61/995218861.db2.gz RGDVZNLEEHOELV-HXUWFJFHSA-N 2 1 418.379 3.981 20 0 HHADMP CC[C@H]([NH2+]CCc1ccc(OCC[NH+]2CCN(C(C)=O)CC2)cc1)c1ccccc1 ZINC000482237374 995220264 /nfs/dbraw/zinc/22/02/64/995220264.db2.gz BOGVJAHPOQXJMJ-VWLOTQADSA-N 2 1 409.574 3.513 20 0 HHADMP CCc1cccc(F)c1C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000474272377 995268906 /nfs/dbraw/zinc/26/89/06/995268906.db2.gz SMDFUUSKOXDDAF-UHFFFAOYSA-N 2 1 411.565 3.848 20 0 HHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474295307 995285923 /nfs/dbraw/zinc/28/59/23/995285923.db2.gz CDJKKAPIUPQDKX-SIKLNZKXSA-N 2 1 415.578 3.880 20 0 HHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474295307 995285930 /nfs/dbraw/zinc/28/59/30/995285930.db2.gz CDJKKAPIUPQDKX-SIKLNZKXSA-N 2 1 415.578 3.880 20 0 HHADMP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474295307 995285934 /nfs/dbraw/zinc/28/59/34/995285934.db2.gz CDJKKAPIUPQDKX-SIKLNZKXSA-N 2 1 415.578 3.880 20 0 HHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474295307 995285946 /nfs/dbraw/zinc/28/59/46/995285946.db2.gz CDJKKAPIUPQDKX-SIKLNZKXSA-N 2 1 415.578 3.880 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000482339619 995318584 /nfs/dbraw/zinc/31/85/84/995318584.db2.gz VXJKMQRZHAHUAV-PMACEKPBSA-N 2 1 407.624 3.632 20 0 HHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c(F)ccc(I)c1F ZINC000474469452 995430986 /nfs/dbraw/zinc/43/09/86/995430986.db2.gz HGECCJKSRIMKJY-JTQLQIEISA-N 2 1 405.230 3.500 20 0 HHADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCCc3nc(-c4ccc(Cl)cc4)sc32)CC1 ZINC000482456912 995458448 /nfs/dbraw/zinc/45/84/48/995458448.db2.gz PSLGCBHIEIAEOW-KRWDZBQOSA-N 2 1 418.994 3.595 20 0 HHADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC1[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC000474507319 995467195 /nfs/dbraw/zinc/46/71/95/995467195.db2.gz WHUMYOBAHGDRRJ-RLBLXZPPSA-N 2 1 412.622 3.800 20 0 HHADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC1[C@H](C)C[NH+](Cc3ccccc3)C[C@H]1C)CC2 ZINC000474507318 995467478 /nfs/dbraw/zinc/46/74/78/995467478.db2.gz WHUMYOBAHGDRRJ-PRTQVNTJSA-N 2 1 412.622 3.800 20 0 HHADMP COCC[NH+]1CCC([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CC1 ZINC000474604187 995560958 /nfs/dbraw/zinc/56/09/58/995560958.db2.gz GCGQMGWMBBTQBF-UHFFFAOYSA-N 2 1 411.262 3.548 20 0 HHADMP Cc1ccccc1COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000482554793 995562045 /nfs/dbraw/zinc/56/20/45/995562045.db2.gz QFSHAOINOKVZDY-IRLDBZIGSA-N 2 1 409.574 3.812 20 0 HHADMP Cc1c([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)nnn1-c1ccc(C)cc1 ZINC000482555866 995563367 /nfs/dbraw/zinc/56/33/67/995563367.db2.gz OWLRDUXQKSAHPA-IBGZPJMESA-N 2 1 419.573 3.692 20 0 HHADMP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)CCC3)cc1 ZINC000482566618 995571431 /nfs/dbraw/zinc/57/14/31/995571431.db2.gz NRSSKKMYLJNFQN-HXUWFJFHSA-N 2 1 414.619 3.813 20 0 HHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000474719955 995657376 /nfs/dbraw/zinc/65/73/76/995657376.db2.gz OFNULHVLXKSKBZ-PWHSHALESA-N 2 1 409.574 3.674 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@H](C)[C@@H](c3ccccc3C)[NH+](C)C)CC2)cs1 ZINC000474786925 995710742 /nfs/dbraw/zinc/71/07/42/995710742.db2.gz CVKDJYPFVBOFJS-VGSWGCGISA-N 2 1 414.619 3.780 20 0 HHADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482809064 995764193 /nfs/dbraw/zinc/76/41/93/995764193.db2.gz CEVUJIVBLNGVCY-VQIMIIECSA-N 2 1 415.965 3.897 20 0 HHADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475117556 995933053 /nfs/dbraw/zinc/93/30/53/995933053.db2.gz HJUIGOCAJLCWDK-RDGATRHJSA-N 2 1 410.606 3.701 20 0 HHADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475117556 995933054 /nfs/dbraw/zinc/93/30/54/995933054.db2.gz HJUIGOCAJLCWDK-RDGATRHJSA-N 2 1 410.606 3.701 20 0 HHADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475117556 995933056 /nfs/dbraw/zinc/93/30/56/995933056.db2.gz HJUIGOCAJLCWDK-RDGATRHJSA-N 2 1 410.606 3.701 20 0 HHADMP CN(C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475145053 995952329 /nfs/dbraw/zinc/95/23/29/995952329.db2.gz WDRORTXDVCOMGY-DEOSSOPVSA-N 2 1 424.564 3.706 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)[C@@H](C)C1 ZINC000483143959 996000897 /nfs/dbraw/zinc/00/08/97/996000897.db2.gz YUCHTCXOJUQFEL-FVJLSDCUSA-N 2 1 405.974 3.708 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)[C@@H](C)C1 ZINC000483143959 996000899 /nfs/dbraw/zinc/00/08/99/996000899.db2.gz YUCHTCXOJUQFEL-FVJLSDCUSA-N 2 1 405.974 3.708 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000483157328 996008400 /nfs/dbraw/zinc/00/84/00/996008400.db2.gz OOPANOAQAUWYCW-OALUTQOASA-N 2 1 415.603 3.813 20 0 HHADMP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000483176958 996019696 /nfs/dbraw/zinc/01/96/96/996019696.db2.gz KUOJPHRNCMWRMF-OAQYLSRUSA-N 2 1 401.595 3.678 20 0 HHADMP Cc1ccc(NCCCNC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)[nH+]c1 ZINC000475258265 996029082 /nfs/dbraw/zinc/02/90/82/996029082.db2.gz KNCJVFQLIWFCOZ-FQEVSTJZSA-N 2 1 401.599 3.878 20 0 HHADMP Cc1ccc(NCCCNC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)[nH+]c1 ZINC000475258265 996029086 /nfs/dbraw/zinc/02/90/86/996029086.db2.gz KNCJVFQLIWFCOZ-FQEVSTJZSA-N 2 1 401.599 3.878 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3OC(F)F)C2)[C@H](C)C1 ZINC000483200701 996034299 /nfs/dbraw/zinc/03/42/99/996034299.db2.gz OKFUGQOJNWMAQP-QYZOEREBSA-N 2 1 411.537 3.593 20 0 HHADMP C[C@H](CC[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)OCc1ccccc1 ZINC000475315567 996065403 /nfs/dbraw/zinc/06/54/03/996065403.db2.gz AMKUZOMHCCYXHI-VSKRKVRLSA-N 2 1 404.595 3.572 20 0 HHADMP C[C@H](CC[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)OCc1ccccc1 ZINC000475315567 996065411 /nfs/dbraw/zinc/06/54/11/996065411.db2.gz AMKUZOMHCCYXHI-VSKRKVRLSA-N 2 1 404.595 3.572 20 0 HHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000483280208 996077849 /nfs/dbraw/zinc/07/78/49/996077849.db2.gz BXAZDMDDHQHILC-OAQYLSRUSA-N 2 1 400.567 3.704 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000483417581 996165486 /nfs/dbraw/zinc/16/54/86/996165486.db2.gz YMJCICFVKHUWBG-IBVKSMDESA-N 2 1 423.576 3.958 20 0 HHADMP COc1cccc(COC[C@H](O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000483487565 996213318 /nfs/dbraw/zinc/21/33/18/996213318.db2.gz RBEHGXAJANQRHR-GSLIJJQTSA-N 2 1 424.585 3.559 20 0 HHADMP COc1cccc(COC[C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000483487565 996213325 /nfs/dbraw/zinc/21/33/25/996213325.db2.gz RBEHGXAJANQRHR-GSLIJJQTSA-N 2 1 424.585 3.559 20 0 HHADMP COc1cccc(COC[C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000483487565 996213330 /nfs/dbraw/zinc/21/33/30/996213330.db2.gz RBEHGXAJANQRHR-GSLIJJQTSA-N 2 1 424.585 3.559 20 0 HHADMP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)CC[C@H]21 ZINC000483503268 996222175 /nfs/dbraw/zinc/22/21/75/996222175.db2.gz LUWSWFYFADTUNN-FXAWDEMLSA-N 2 1 409.496 3.613 20 0 HHADMP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)CC[C@H]21 ZINC000483503268 996222179 /nfs/dbraw/zinc/22/21/79/996222179.db2.gz LUWSWFYFADTUNN-FXAWDEMLSA-N 2 1 409.496 3.613 20 0 HHADMP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)CC[C@H]21 ZINC000483503268 996222182 /nfs/dbraw/zinc/22/21/82/996222182.db2.gz LUWSWFYFADTUNN-FXAWDEMLSA-N 2 1 409.496 3.613 20 0 HHADMP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)CC[C@H]21 ZINC000483503268 996222185 /nfs/dbraw/zinc/22/21/85/996222185.db2.gz LUWSWFYFADTUNN-FXAWDEMLSA-N 2 1 409.496 3.613 20 0 HHADMP O=C(c1ccc(-n2ccnc2)cc1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483555534 996247784 /nfs/dbraw/zinc/24/77/84/996247784.db2.gz SRDMIFRWLRKPEW-ISKFKSNPSA-N 2 1 400.526 3.999 20 0 HHADMP OC[C@]1(Cc2ccccc2)CCC[NH+]1CCC[N@@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000475668415 996289003 /nfs/dbraw/zinc/28/90/03/996289003.db2.gz QTISGTIDNITHFG-KAYWLYCHSA-N 2 1 422.613 3.516 20 0 HHADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000483620967 996290860 /nfs/dbraw/zinc/29/08/60/996290860.db2.gz HCHGOGVVLCKXGW-XPNTWCBSSA-N 2 1 400.611 3.945 20 0 HHADMP COc1ccc(COC[C@@H](O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000475727862 996327526 /nfs/dbraw/zinc/32/75/26/996327526.db2.gz IIPOAZWBCIIKJS-AHWVRZQESA-N 2 1 424.585 3.561 20 0 HHADMP COc1ccc(COC[C@@H](O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000475727862 996327532 /nfs/dbraw/zinc/32/75/32/996327532.db2.gz IIPOAZWBCIIKJS-AHWVRZQESA-N 2 1 424.585 3.561 20 0 HHADMP COc1ccc(COC[C@@H](O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000475727862 996327537 /nfs/dbraw/zinc/32/75/37/996327537.db2.gz IIPOAZWBCIIKJS-AHWVRZQESA-N 2 1 424.585 3.561 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccc(-n2cnnn2)cc1 ZINC000483731580 996355053 /nfs/dbraw/zinc/35/50/53/996355053.db2.gz SNXZFVJLBHNANT-SFHVURJKSA-N 2 1 402.502 3.738 20 0 HHADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C[C@H]1C ZINC000483774019 996378043 /nfs/dbraw/zinc/37/80/43/996378043.db2.gz CILPIXUYJBMLDX-DENIHFKCSA-N 2 1 412.578 3.926 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C[C@H]1C ZINC000483774019 996378049 /nfs/dbraw/zinc/37/80/49/996378049.db2.gz CILPIXUYJBMLDX-DENIHFKCSA-N 2 1 412.578 3.926 20 0 HHADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C[C@H]1C ZINC000483774019 996378056 /nfs/dbraw/zinc/37/80/56/996378056.db2.gz CILPIXUYJBMLDX-DENIHFKCSA-N 2 1 412.578 3.926 20 0 HHADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C[C@H]1C ZINC000483774019 996378064 /nfs/dbraw/zinc/37/80/64/996378064.db2.gz CILPIXUYJBMLDX-DENIHFKCSA-N 2 1 412.578 3.926 20 0 HHADMP CC1(C)C[N@H+](C2(CNC(=O)NC3CC[NH+](C4CCCC4)CC3)CCCCC2)CCO1 ZINC000483809186 996402249 /nfs/dbraw/zinc/40/22/49/996402249.db2.gz QAIXATWELBVXJW-UHFFFAOYSA-N 2 1 420.642 3.506 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccco1 ZINC000475967916 996504432 /nfs/dbraw/zinc/50/44/32/996504432.db2.gz RGRQYRXDYVYBSG-ZJSXRUAMSA-N 2 1 410.562 3.580 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccco1 ZINC000475967916 996504441 /nfs/dbraw/zinc/50/44/41/996504441.db2.gz RGRQYRXDYVYBSG-ZJSXRUAMSA-N 2 1 410.562 3.580 20 0 HHADMP C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000483982769 996504985 /nfs/dbraw/zinc/50/49/85/996504985.db2.gz VQUPAVWYHORLGT-ZJSXRUAMSA-N 2 1 420.601 3.992 20 0 HHADMP C[C@H]([NH2+]C1(CN[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCOCC1)c1ccccc1 ZINC000484124682 996583694 /nfs/dbraw/zinc/58/36/94/996583694.db2.gz DIDLJAHUZPITEI-WRALFONMSA-N 2 1 422.617 3.782 20 0 HHADMP C[C@H]([NH2+]C1(CN[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCOCC1)c1ccccc1 ZINC000484124682 996583698 /nfs/dbraw/zinc/58/36/98/996583698.db2.gz DIDLJAHUZPITEI-WRALFONMSA-N 2 1 422.617 3.782 20 0 HHADMP CC[C@H]([NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1)c1ccccc1OCC(=O)N(C)C ZINC000484148830 996600036 /nfs/dbraw/zinc/60/00/36/996600036.db2.gz UUTTXQQFIOWTKS-NRFANRHFSA-N 2 1 410.562 3.567 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000484483046 996804729 /nfs/dbraw/zinc/80/47/29/996804729.db2.gz LGMQLXONEWKNEL-RLWLMLJZSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000484483046 996804732 /nfs/dbraw/zinc/80/47/32/996804732.db2.gz LGMQLXONEWKNEL-RLWLMLJZSA-N 2 1 407.602 3.644 20 0 HHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000484926232 997301567 /nfs/dbraw/zinc/30/15/67/997301567.db2.gz PYTAHVZWAPWRFU-VSDWSMLSSA-N 2 1 418.528 3.846 20 0 HHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC[N@H+]1C ZINC000484926232 997301572 /nfs/dbraw/zinc/30/15/72/997301572.db2.gz PYTAHVZWAPWRFU-VSDWSMLSSA-N 2 1 418.528 3.846 20 0 HHADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC[NH+]1C ZINC000484926232 997301576 /nfs/dbraw/zinc/30/15/76/997301576.db2.gz PYTAHVZWAPWRFU-VSDWSMLSSA-N 2 1 418.528 3.846 20 0 HHADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC[NH+]1C ZINC000484926232 997301589 /nfs/dbraw/zinc/30/15/89/997301589.db2.gz PYTAHVZWAPWRFU-VSDWSMLSSA-N 2 1 418.528 3.846 20 0 HHADMP CC[NH+](CC)CCOc1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)ccc1OC ZINC000485000053 997363750 /nfs/dbraw/zinc/36/37/50/997363750.db2.gz FDPMQIPBMAEYBR-AZUAARDMSA-N 2 1 420.598 3.752 20 0 HHADMP Cc1ccccc1NC(=O)Cc1nc(C[NH+]2CCC(CC[NH+](C)C)CC2)cs1 ZINC000485039171 997404330 /nfs/dbraw/zinc/40/43/30/997404330.db2.gz BHCNFDUQOZNATD-UHFFFAOYSA-N 2 1 400.592 3.796 20 0 HHADMP C[NH+](C)CCOC1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000485120086 997504080 /nfs/dbraw/zinc/50/40/80/997504080.db2.gz PIFVVZITCONKJA-UHFFFAOYSA-N 2 1 409.574 3.501 20 0 HHADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476972992 997592534 /nfs/dbraw/zinc/59/25/34/997592534.db2.gz NASDKXRVKUYCSG-RBUKOAKNSA-N 2 1 415.578 3.761 20 0 HHADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476972992 997592546 /nfs/dbraw/zinc/59/25/46/997592546.db2.gz NASDKXRVKUYCSG-RBUKOAKNSA-N 2 1 415.578 3.761 20 0 HHADMP COc1cccc(COC[C@@H](O)C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000476986391 997610671 /nfs/dbraw/zinc/61/06/71/997610671.db2.gz PTJXDNBQLKAIMA-OFNKIYASSA-N 2 1 404.595 3.549 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1F ZINC000485237423 997618525 /nfs/dbraw/zinc/61/85/25/997618525.db2.gz ZKCWHXBDFVHAHT-ZHRRBRCNSA-N 2 1 409.509 3.810 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)NCc3ccc(C[N@H+]4CCCC[C@H]4C)cc3)CC2)c1 ZINC000485278160 997673206 /nfs/dbraw/zinc/67/32/06/997673206.db2.gz SHJYNIHTWOMAHF-OAQYLSRUSA-N 2 1 421.589 3.796 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)NCc3ccc(C[N@@H+]4CCCC[C@H]4C)cc3)CC2)c1 ZINC000485278160 997673213 /nfs/dbraw/zinc/67/32/13/997673213.db2.gz SHJYNIHTWOMAHF-OAQYLSRUSA-N 2 1 421.589 3.796 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)NCc3ccccc3C[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000485293928 997697364 /nfs/dbraw/zinc/69/73/64/997697364.db2.gz OSDLZIGLYVRUTO-OAQYLSRUSA-N 2 1 421.589 3.796 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)NCc3ccccc3C[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC000485293928 997697370 /nfs/dbraw/zinc/69/73/70/997697370.db2.gz OSDLZIGLYVRUTO-OAQYLSRUSA-N 2 1 421.589 3.796 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)NC[C@H](C3CC3)[N@H+](C)Cc3ccccc3)CC2)[nH+]c1 ZINC000477075962 997727130 /nfs/dbraw/zinc/72/71/30/997727130.db2.gz OEUCOKHJBFHWLB-HSZRJFAPSA-N 2 1 421.589 3.569 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)NC[C@H](C3CC3)[N@@H+](C)Cc3ccccc3)CC2)[nH+]c1 ZINC000477075962 997727142 /nfs/dbraw/zinc/72/71/42/997727142.db2.gz OEUCOKHJBFHWLB-HSZRJFAPSA-N 2 1 421.589 3.569 20 0 HHADMP C[C@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485385767 997814080 /nfs/dbraw/zinc/81/40/80/997814080.db2.gz OJIAKAHBLNPHHV-DSKINZAPSA-N 2 1 400.592 3.561 20 0 HHADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000485397707 997826374 /nfs/dbraw/zinc/82/63/74/997826374.db2.gz BHUQNQDVNQAAPV-JPYJTQIMSA-N 2 1 418.528 3.705 20 0 HHADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000485397707 997826383 /nfs/dbraw/zinc/82/63/83/997826383.db2.gz BHUQNQDVNQAAPV-JPYJTQIMSA-N 2 1 418.528 3.705 20 0 HHADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000485397707 997826397 /nfs/dbraw/zinc/82/63/97/997826397.db2.gz BHUQNQDVNQAAPV-JPYJTQIMSA-N 2 1 418.528 3.705 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1Cl ZINC000485453549 997896681 /nfs/dbraw/zinc/89/66/81/997896681.db2.gz KANWCFKGLPPHJT-JRGCBEDISA-N 2 1 407.002 3.849 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cccn1C1CCCC1 ZINC000485483433 997935381 /nfs/dbraw/zinc/93/53/81/997935381.db2.gz VDJVIPOTTARGNT-UHFFFAOYSA-N 2 1 400.611 3.872 20 0 HHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nc3ccc(Br)cc3n2C)CC1 ZINC000485831339 998297392 /nfs/dbraw/zinc/29/73/92/998297392.db2.gz PMRAGNPIJYMZMR-UHFFFAOYSA-N 2 1 423.399 3.659 20 0 HHADMP OC[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)Cc1ccc(F)c(F)c1 ZINC000477941262 998670991 /nfs/dbraw/zinc/67/09/91/998670991.db2.gz RYUAGEBRTXEKTE-IBPRQYQWSA-N 2 1 400.513 3.616 20 0 HHADMP C[C@H](NC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486319709 998711097 /nfs/dbraw/zinc/71/10/97/998711097.db2.gz KJGTZTIPMDUPGR-URVUXULASA-N 2 1 400.611 3.707 20 0 HHADMP C[C@H](NC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486319709 998711101 /nfs/dbraw/zinc/71/11/01/998711101.db2.gz KJGTZTIPMDUPGR-URVUXULASA-N 2 1 400.611 3.707 20 0 HHADMP C[C@H](NC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486319709 998711107 /nfs/dbraw/zinc/71/11/07/998711107.db2.gz KJGTZTIPMDUPGR-URVUXULASA-N 2 1 400.611 3.707 20 0 HHADMP C[C@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486332032 998715896 /nfs/dbraw/zinc/71/58/96/998715896.db2.gz KOYVDNCUSQWYGT-JTHBVZDNSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@@H](NC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486345989 998722273 /nfs/dbraw/zinc/72/22/73/998722273.db2.gz NVVYLASQGGVKBB-SRUXOGRHSA-N 2 1 400.611 3.564 20 0 HHADMP C[C@@H](NC(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486345989 998722275 /nfs/dbraw/zinc/72/22/75/998722275.db2.gz NVVYLASQGGVKBB-SRUXOGRHSA-N 2 1 400.611 3.564 20 0 HHADMP C[C@@H](NC(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486345989 998722277 /nfs/dbraw/zinc/72/22/77/998722277.db2.gz NVVYLASQGGVKBB-SRUXOGRHSA-N 2 1 400.611 3.564 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCc1ccc2ccccc2n1 ZINC000486781529 998937766 /nfs/dbraw/zinc/93/77/66/998937766.db2.gz MXIJHUCCYQUJHK-UHFFFAOYSA-N 2 1 422.617 3.822 20 0 HHADMP C[C@H](NC(=O)NCCCCC[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486964354 999020464 /nfs/dbraw/zinc/02/04/64/999020464.db2.gz KBPIRQLNOAWNLC-GMAHTHKFSA-N 2 1 400.611 3.852 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000487120835 999068388 /nfs/dbraw/zinc/06/83/88/999068388.db2.gz QBYQSGHZKWVXCB-DEOSSOPVSA-N 2 1 405.586 3.579 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000487145386 999079962 /nfs/dbraw/zinc/07/99/62/999079962.db2.gz KKIXZTPZPHGVQX-WTNAPCKOSA-N 2 1 420.548 3.805 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000487145386 999079967 /nfs/dbraw/zinc/07/99/67/999079967.db2.gz KKIXZTPZPHGVQX-WTNAPCKOSA-N 2 1 420.548 3.805 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000487145386 999079974 /nfs/dbraw/zinc/07/99/74/999079974.db2.gz KKIXZTPZPHGVQX-WTNAPCKOSA-N 2 1 420.548 3.805 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000487145386 999079978 /nfs/dbraw/zinc/07/99/78/999079978.db2.gz KKIXZTPZPHGVQX-WTNAPCKOSA-N 2 1 420.548 3.805 20 0 HHADMP C[C@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487262249 999116803 /nfs/dbraw/zinc/11/68/03/999116803.db2.gz AYSABSOKHYZCLW-GBXCKJPGSA-N 2 1 423.626 3.876 20 0 HHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000487508737 999202699 /nfs/dbraw/zinc/20/26/99/999202699.db2.gz LWGZTJINANOMSK-VXKWHMMOSA-N 2 1 423.601 3.808 20 0 HHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCCc4nn(-c5ccccc5)cc43)CC2)nc(C)[nH+]1 ZINC000479060739 999274241 /nfs/dbraw/zinc/27/42/41/999274241.db2.gz NMCHRQLOZIVYEA-JOCHJYFZSA-N 2 1 402.546 3.915 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)c1cccc(OC)c1 ZINC000488127779 999385017 /nfs/dbraw/zinc/38/50/17/999385017.db2.gz KTTUZGZRALDDOT-AUSIDOKSSA-N 2 1 416.610 3.594 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 ZINC000479325616 999385946 /nfs/dbraw/zinc/38/59/46/999385946.db2.gz WEPWOQCNOPETOU-HXUWFJFHSA-N 2 1 413.566 3.838 20 0 HHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479333308 999390061 /nfs/dbraw/zinc/39/00/61/999390061.db2.gz WOKLYUARYXNCKX-KBPBESRZSA-N 2 1 422.422 3.804 20 0 HHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCc4nn(-c5ccccc5)cc43)cc2)CC1 ZINC000479341950 999394817 /nfs/dbraw/zinc/39/48/17/999394817.db2.gz HEDBMWKJBXVHMA-RUZDIDTESA-N 2 1 415.585 3.787 20 0 HHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCc3cc(OC)c(OC)cc32)CC1 ZINC000479347030 999396395 /nfs/dbraw/zinc/39/63/95/999396395.db2.gz OVZBSHBFVRBVRQ-HSZRJFAPSA-N 2 1 409.574 3.618 20 0 HHADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000479442300 999419541 /nfs/dbraw/zinc/41/95/41/999419541.db2.gz WKBRJANQSSPRNI-UHFFFAOYSA-N 2 1 403.530 3.923 20 0 HHADMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000479461064 999427234 /nfs/dbraw/zinc/42/72/34/999427234.db2.gz BESVVLJZTVNNRF-ICSRJNTNSA-N 2 1 401.576 3.621 20 0 HHADMP C[C@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488551366 999525109 /nfs/dbraw/zinc/52/51/09/999525109.db2.gz UIBJQZKSMLKXNA-SQJMNOBHSA-N 2 1 420.601 3.992 20 0 HHADMP C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488616188 999547138 /nfs/dbraw/zinc/54/71/38/999547138.db2.gz VNQOTIZBEQVCCO-RDGATRHJSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@@H](NC(=O)N1CCC[NH+](Cc2ccccc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488616188 999547140 /nfs/dbraw/zinc/54/71/40/999547140.db2.gz VNQOTIZBEQVCCO-RDGATRHJSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@@H](NC(=O)N1CCC[NH+](Cc2ccccc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488616188 999547142 /nfs/dbraw/zinc/54/71/42/999547142.db2.gz VNQOTIZBEQVCCO-RDGATRHJSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488648221 999557794 /nfs/dbraw/zinc/55/77/94/999557794.db2.gz XKJBYELSZJEQHR-FMRHZRETSA-N 2 1 410.606 3.555 20 0 HHADMP C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488648221 999557796 /nfs/dbraw/zinc/55/77/96/999557796.db2.gz XKJBYELSZJEQHR-FMRHZRETSA-N 2 1 410.606 3.555 20 0 HHADMP C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488648221 999557797 /nfs/dbraw/zinc/55/77/97/999557797.db2.gz XKJBYELSZJEQHR-FMRHZRETSA-N 2 1 410.606 3.555 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000479885282 999636113 /nfs/dbraw/zinc/63/61/13/999636113.db2.gz DYEGDNUOONRKNU-SFHVURJKSA-N 2 1 408.546 3.654 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(OCc2nccn2C)cc1 ZINC000479886358 999636532 /nfs/dbraw/zinc/63/65/32/999636532.db2.gz GUICKYJMOTXQLS-FQEVSTJZSA-N 2 1 420.557 3.682 20 0 HHADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000479891325 999638239 /nfs/dbraw/zinc/63/82/39/999638239.db2.gz PENGUIGQMDNBPL-LJQANCHMSA-N 2 1 410.562 3.900 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000480084140 999712685 /nfs/dbraw/zinc/71/26/85/999712685.db2.gz JBCHWHGXEIDUHI-ZPZUNKDASA-N 2 1 411.565 3.699 20 0 HHADMP C[N@@H+](CCN(Cc1ccccc1)C(=O)NC[C@H]1CC[NH+](C2CC2)C1)Cc1ccccc1 ZINC000489292884 999738774 /nfs/dbraw/zinc/73/87/74/999738774.db2.gz JWXJNGMGXUCVOO-XMMPIXPASA-N 2 1 420.601 3.815 20 0 HHADMP C[NH+](CCN(Cc1ccccc1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000489292884 999738775 /nfs/dbraw/zinc/73/87/75/999738775.db2.gz JWXJNGMGXUCVOO-XMMPIXPASA-N 2 1 420.601 3.815 20 0 HHADMP C[NH+](CCN(Cc1ccccc1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000489292884 999738777 /nfs/dbraw/zinc/73/87/77/999738777.db2.gz JWXJNGMGXUCVOO-XMMPIXPASA-N 2 1 420.601 3.815 20 0 HHADMP C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000489327211 999746166 /nfs/dbraw/zinc/74/61/66/999746166.db2.gz KTBKZNJZENYBLK-TYBLODHISA-N 2 1 420.601 3.643 20 0 HHADMP C[C@@H](CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000489327211 999746167 /nfs/dbraw/zinc/74/61/67/999746167.db2.gz KTBKZNJZENYBLK-TYBLODHISA-N 2 1 420.601 3.643 20 0 HHADMP C[C@@H](CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000489327211 999746169 /nfs/dbraw/zinc/74/61/69/999746169.db2.gz KTBKZNJZENYBLK-TYBLODHISA-N 2 1 420.601 3.643 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)c1 ZINC000489407770 999760602 /nfs/dbraw/zinc/76/06/02/999760602.db2.gz UUJMPHAZBFERBF-YKSBVNFPSA-N 2 1 408.590 3.848 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000489407770 999760605 /nfs/dbraw/zinc/76/06/05/999760605.db2.gz UUJMPHAZBFERBF-YKSBVNFPSA-N 2 1 408.590 3.848 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000489407770 999760606 /nfs/dbraw/zinc/76/06/06/999760606.db2.gz UUJMPHAZBFERBF-YKSBVNFPSA-N 2 1 408.590 3.848 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000489433181 999766493 /nfs/dbraw/zinc/76/64/93/999766493.db2.gz UYUZVCZLBIOIJN-CEMLEFRQSA-N 2 1 412.578 3.872 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000489536889 999787103 /nfs/dbraw/zinc/78/71/03/999787103.db2.gz YHVUMHKYZJRRFR-QMMLZNLJSA-N 2 1 400.592 3.561 20 0 HHADMP C[C@@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)c1cccc(OCC[NH+](C)C)c1 ZINC000480457097 999803740 /nfs/dbraw/zinc/80/37/40/999803740.db2.gz WNZHKEIZOROFOC-CQSZACIVSA-N 2 1 407.440 3.539 20 0 HHADMP c1c[nH]c([C@@H]2CCC[NH+](Cc3cccc(C[N@H+]4CCC[C@@H](c5ncc[nH]5)C4)c3)C2)n1 ZINC000489735804 999827901 /nfs/dbraw/zinc/82/79/01/999827901.db2.gz GUDJQTUJUXHRIX-FGZHOGPDSA-N 2 1 404.562 3.892 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000489748316 999830301 /nfs/dbraw/zinc/83/03/01/999830301.db2.gz SVCRWWTZCMULTF-XJUOHMSHSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000489748316 999830305 /nfs/dbraw/zinc/83/03/05/999830305.db2.gz SVCRWWTZCMULTF-XJUOHMSHSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000489748316 999830308 /nfs/dbraw/zinc/83/03/08/999830308.db2.gz SVCRWWTZCMULTF-XJUOHMSHSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000480603089 999838427 /nfs/dbraw/zinc/83/84/27/999838427.db2.gz BONYMJMIMVSADF-DVECYGJZSA-N 2 1 409.549 3.931 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000480603089 999838429 /nfs/dbraw/zinc/83/84/29/999838429.db2.gz BONYMJMIMVSADF-DVECYGJZSA-N 2 1 409.549 3.931 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000489821715 999844067 /nfs/dbraw/zinc/84/40/67/999844067.db2.gz BIUIRWXDNWYISF-BWKNWUBXSA-N 2 1 420.601 3.992 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000489822707 999844268 /nfs/dbraw/zinc/84/42/68/999844268.db2.gz ALPXHNMMCNAVAI-MQSCRBSSSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000489822707 999844271 /nfs/dbraw/zinc/84/42/71/999844271.db2.gz ALPXHNMMCNAVAI-MQSCRBSSSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000489822707 999844274 /nfs/dbraw/zinc/84/42/74/999844274.db2.gz ALPXHNMMCNAVAI-MQSCRBSSSA-N 2 1 400.611 3.708 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000489829797 999845365 /nfs/dbraw/zinc/84/53/65/999845365.db2.gz JNTYSJVFDCNEQG-FYYLOGMGSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000489844561 999848199 /nfs/dbraw/zinc/84/81/99/999848199.db2.gz YBABQMZSMOTRCF-XUZZJYLKSA-N 2 1 408.590 3.670 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000489869743 999851848 /nfs/dbraw/zinc/85/18/48/999851848.db2.gz AJQALHSQONUHQR-OYRHEFFESA-N 2 1 400.611 3.660 20 0 HHADMP CC[N@@H+](C)[C@@H](C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1)c1ccccc1 ZINC000489977768 999872023 /nfs/dbraw/zinc/87/20/23/999872023.db2.gz BVURMQFDQGSHMF-XMMPIXPASA-N 2 1 409.574 3.716 20 0 HHADMP Cc1ccc([C@@H]2C[C@H](C)[N@H+](CC(=O)Nc3ccc(CN4CCOCC4)cc3)C2)cc1 ZINC000490046383 999884476 /nfs/dbraw/zinc/88/44/76/999884476.db2.gz VPAGYRFYXXQAJX-NZQKXSOJSA-N 2 1 407.558 3.644 20 0 HHADMP Brc1cnn(CCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000490238814 999918342 /nfs/dbraw/zinc/91/83/42/999918342.db2.gz FPFHKNUCANTODK-OWZKRDHZSA-N 2 1 403.368 3.821 20 0 HHADMP Brc1cnn(CCC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000490354381 999943233 /nfs/dbraw/zinc/94/32/33/999943233.db2.gz LJHFCWVKOPBLOR-SESVDKBCSA-N 2 1 417.395 3.926 20 0 HHADMP C[C@@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000490954895 1000027274 /nfs/dbraw/zinc/02/72/74/1000027274.db2.gz ODRRMVVCACAERE-MOPGFXCFSA-N 2 1 404.624 3.520 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000491027249 1000035805 /nfs/dbraw/zinc/03/58/05/1000035805.db2.gz JEBCIDVNWDTFMF-FYYLOGMGSA-N 2 1 405.586 3.804 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000491027249 1000035806 /nfs/dbraw/zinc/03/58/06/1000035806.db2.gz JEBCIDVNWDTFMF-FYYLOGMGSA-N 2 1 405.586 3.804 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000491027249 1000035807 /nfs/dbraw/zinc/03/58/07/1000035807.db2.gz JEBCIDVNWDTFMF-FYYLOGMGSA-N 2 1 405.586 3.804 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000491336038 1000066285 /nfs/dbraw/zinc/06/62/85/1000066285.db2.gz TVWUOGCINVJCOW-IBGZPJMESA-N 2 1 416.614 3.658 20 0 HHADMP Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)[C@@H]4CCC[N@H+]4C4CC4)cc3)CC2)c1 ZINC000494333770 1000438301 /nfs/dbraw/zinc/43/83/01/1000438301.db2.gz UEOXXMMBRXXCDX-VWLOTQADSA-N 2 1 418.585 3.883 20 0 HHADMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000504907104 1000440668 /nfs/dbraw/zinc/44/06/68/1000440668.db2.gz CSNRZQHWCYIHJR-DEOSSOPVSA-N 2 1 406.574 3.569 20 0 HHADMP O=C(N[C@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000504907104 1000440673 /nfs/dbraw/zinc/44/06/73/1000440673.db2.gz CSNRZQHWCYIHJR-DEOSSOPVSA-N 2 1 406.574 3.569 20 0 HHADMP O=C(N[C@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000504907104 1000440677 /nfs/dbraw/zinc/44/06/77/1000440677.db2.gz CSNRZQHWCYIHJR-DEOSSOPVSA-N 2 1 406.574 3.569 20 0 HHADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000504919979 1000448987 /nfs/dbraw/zinc/44/89/87/1000448987.db2.gz MDINMVQTKBQISR-XXBNENTESA-N 2 1 407.558 3.994 20 0 HHADMP C[C@@H](c1c(F)cccc1F)[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000494543225 1000546450 /nfs/dbraw/zinc/54/64/50/1000546450.db2.gz MJILTIYNKWUIRT-SFHVURJKSA-N 2 1 415.528 3.986 20 0 HHADMP C[C@@H](c1c(F)cccc1F)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000494543225 1000546456 /nfs/dbraw/zinc/54/64/56/1000546456.db2.gz MJILTIYNKWUIRT-SFHVURJKSA-N 2 1 415.528 3.986 20 0 HHADMP FC(F)(F)c1ccc(Cn2cc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)cn2)cc1 ZINC000494577716 1000562498 /nfs/dbraw/zinc/56/24/98/1000562498.db2.gz FILHTGMMMQYCSR-GOSISDBHSA-N 2 1 422.495 3.541 20 0 HHADMP C[N@H+]1CC=C(C[NH2+][C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000494988299 1000765441 /nfs/dbraw/zinc/76/54/41/1000765441.db2.gz NODIOCVBOJMBLE-NRFANRHFSA-N 2 1 404.963 3.684 20 0 HHADMP C[N@@H+]1CC=C(C[NH2+][C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000494988299 1000765447 /nfs/dbraw/zinc/76/54/47/1000765447.db2.gz NODIOCVBOJMBLE-NRFANRHFSA-N 2 1 404.963 3.684 20 0 HHADMP CCc1ccc([C@H]2CN(C(=O)c3ccc(N4CC[NH+](C(C)C)CC4)cc3)CC[NH2+]2)cc1 ZINC000505483637 1000810095 /nfs/dbraw/zinc/81/00/95/1000810095.db2.gz KREVOSOHKWGRPF-RUZDIDTESA-N 2 1 420.601 3.566 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000505738447 1001000834 /nfs/dbraw/zinc/00/08/34/1001000834.db2.gz SCVVIYFYJUCPHI-AWEZNQCLSA-N 2 1 410.971 3.545 20 0 HHADMP C[NH+](C)[C@@H](C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)c1ccccc1 ZINC000505738439 1001000979 /nfs/dbraw/zinc/00/09/79/1001000979.db2.gz RYOCASZKBGIMFF-HSZRJFAPSA-N 2 1 408.546 3.743 20 0 HHADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000505761461 1001010808 /nfs/dbraw/zinc/01/08/08/1001010808.db2.gz HAPAMEHLFOMFPR-WIOPSUGQSA-N 2 1 422.573 3.724 20 0 HHADMP COc1cc([C@H](C)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1S(C)(=O)=O ZINC000495441030 1001013237 /nfs/dbraw/zinc/01/32/37/1001013237.db2.gz ZSQKYHWRLRKPTQ-UEXGIBASSA-N 2 1 416.587 3.660 20 0 HHADMP COc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1S(C)(=O)=O ZINC000495441030 1001013251 /nfs/dbraw/zinc/01/32/51/1001013251.db2.gz ZSQKYHWRLRKPTQ-UEXGIBASSA-N 2 1 416.587 3.660 20 0 HHADMP Cc1csc([C@@H]([NH2+][C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C2CC2)n1 ZINC000495449522 1001016031 /nfs/dbraw/zinc/01/60/31/1001016031.db2.gz CZPUNVLCNQHVNN-UTKZUKDTSA-N 2 1 412.603 3.662 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000506020446 1001167991 /nfs/dbraw/zinc/16/79/91/1001167991.db2.gz XBOCZRNDTYLOLB-LJQANCHMSA-N 2 1 416.569 3.568 20 0 HHADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000506020446 1001167998 /nfs/dbraw/zinc/16/79/98/1001167998.db2.gz XBOCZRNDTYLOLB-LJQANCHMSA-N 2 1 416.569 3.568 20 0 HHADMP COc1ccc(CCC[N@@H+](C)CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000497491304 1001398110 /nfs/dbraw/zinc/39/81/10/1001398110.db2.gz WZJZEMMXMDRCDB-UHFFFAOYSA-N 2 1 423.601 3.603 20 0 HHADMP COc1ccc(CCC[NH+](C)CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)cc1 ZINC000497491304 1001398115 /nfs/dbraw/zinc/39/81/15/1001398115.db2.gz WZJZEMMXMDRCDB-UHFFFAOYSA-N 2 1 423.601 3.603 20 0 HHADMP COc1ccc(CCC[NH+](C)CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)cc1 ZINC000497491304 1001398121 /nfs/dbraw/zinc/39/81/21/1001398121.db2.gz WZJZEMMXMDRCDB-UHFFFAOYSA-N 2 1 423.601 3.603 20 0 HHADMP CN(C(=O)N[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000497503583 1001407006 /nfs/dbraw/zinc/40/70/06/1001407006.db2.gz LDZLJCCWMKSBMX-GURQWTFNSA-N 2 1 424.511 3.546 20 0 HHADMP CN(C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000497503583 1001407011 /nfs/dbraw/zinc/40/70/11/1001407011.db2.gz LDZLJCCWMKSBMX-GURQWTFNSA-N 2 1 424.511 3.546 20 0 HHADMP CN(C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000497503583 1001407015 /nfs/dbraw/zinc/40/70/15/1001407015.db2.gz LDZLJCCWMKSBMX-GURQWTFNSA-N 2 1 424.511 3.546 20 0 HHADMP CS[C@@H]1CN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C[C@H]1[NH+](C)C ZINC000497656992 1001474865 /nfs/dbraw/zinc/47/48/65/1001474865.db2.gz KLSXOLUGDMSCJK-NHCUHLMSSA-N 2 1 404.624 3.960 20 0 HHADMP CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000506748112 1001512786 /nfs/dbraw/zinc/51/27/86/1001512786.db2.gz RGPRGUVSZZRNTE-UHFFFAOYSA-N 2 1 408.590 3.988 20 0 HHADMP CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000506748112 1001512789 /nfs/dbraw/zinc/51/27/89/1001512789.db2.gz RGPRGUVSZZRNTE-UHFFFAOYSA-N 2 1 408.590 3.988 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+](C)C ZINC000506932685 1001600898 /nfs/dbraw/zinc/60/08/98/1001600898.db2.gz KSTJPYWHCVCUCN-SJBKTWHCSA-N 2 1 416.610 3.594 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+](C)C ZINC000506932685 1001600900 /nfs/dbraw/zinc/60/09/00/1001600900.db2.gz KSTJPYWHCVCUCN-SJBKTWHCSA-N 2 1 416.610 3.594 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000506951172 1001724579 /nfs/dbraw/zinc/72/45/79/1001724579.db2.gz MSGRFDBVOVUBPT-WOIUINJBSA-N 2 1 404.574 3.724 20 0 HHADMP Cc1ccccc1[C@H]1CC[N@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000507204344 1001892770 /nfs/dbraw/zinc/89/27/70/1001892770.db2.gz KOXRIQXRZFPBCN-GMAHTHKFSA-N 2 1 405.586 3.954 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C3CCN(CCC(F)(F)F)CC3)cc2)C[C@H](C)O1 ZINC000507460652 1002084574 /nfs/dbraw/zinc/08/45/74/1002084574.db2.gz JBZDQFUHQIHWSS-HDICACEKSA-N 2 1 413.528 3.802 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]C2CCN(CCC(F)(F)F)CC2)C[C@H](C)O1 ZINC000507471222 1002091195 /nfs/dbraw/zinc/09/11/95/1002091195.db2.gz OQIANKZJKDGZHR-HDICACEKSA-N 2 1 413.528 3.802 20 0 HHADMP O[C@H](C(F)F)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000507505476 1002117400 /nfs/dbraw/zinc/11/74/00/1002117400.db2.gz DUKKHUMGKGEXTF-LILXYRQWSA-N 2 1 400.513 3.724 20 0 HHADMP O=C(C[N@@H+](Cc1cccc(O)c1)CC1CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000498888818 1002276356 /nfs/dbraw/zinc/27/63/56/1002276356.db2.gz AVPWCRLOOQQVNQ-UHFFFAOYSA-N 2 1 407.558 3.516 20 0 HHADMP Cn1ccnc1[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1cccc(F)c1 ZINC000507905214 1002440571 /nfs/dbraw/zinc/44/05/71/1002440571.db2.gz YEVAVUCHBKNZTD-DEOSSOPVSA-N 2 1 421.564 3.841 20 0 HHADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)c1 ZINC000499113375 1002502605 /nfs/dbraw/zinc/50/26/05/1002502605.db2.gz PLVHPLSATIAUEH-NDBXHCKUSA-N 2 1 418.585 3.744 20 0 HHADMP NC(=O)[C@@H]1CCC[NH+]1Cc1cccc(N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000499113375 1002502612 /nfs/dbraw/zinc/50/26/12/1002502612.db2.gz PLVHPLSATIAUEH-NDBXHCKUSA-N 2 1 418.585 3.744 20 0 HHADMP NC(=O)[C@@H]1CCC[NH+]1Cc1cccc(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000499113375 1002502617 /nfs/dbraw/zinc/50/26/17/1002502617.db2.gz PLVHPLSATIAUEH-NDBXHCKUSA-N 2 1 418.585 3.744 20 0 HHADMP Fc1cccc([C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)N2CCOCC2)c1 ZINC000499139405 1002524127 /nfs/dbraw/zinc/52/41/27/1002524127.db2.gz OXBNAPADZGLAIV-SSUZURRFSA-N 2 1 423.576 3.984 20 0 HHADMP Cc1ccc([C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)N2CCOCC2)o1 ZINC000499154089 1002537773 /nfs/dbraw/zinc/53/77/73/1002537773.db2.gz TWAOMTWZLAFZLU-KIHHCIJBSA-N 2 1 409.574 3.747 20 0 HHADMP Cc1ccc([C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)N2CCOCC2)o1 ZINC000499154089 1002537789 /nfs/dbraw/zinc/53/77/89/1002537789.db2.gz TWAOMTWZLAFZLU-KIHHCIJBSA-N 2 1 409.574 3.747 20 0 HHADMP CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499234387 1002624345 /nfs/dbraw/zinc/62/43/45/1002624345.db2.gz QHSFQYLGFQTLDC-FUCAVZNHSA-N 2 1 416.569 3.610 20 0 HHADMP CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499234387 1002624349 /nfs/dbraw/zinc/62/43/49/1002624349.db2.gz QHSFQYLGFQTLDC-FUCAVZNHSA-N 2 1 416.569 3.610 20 0 HHADMP COCc1ccccc1/C=C(\C)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000508239463 1002764643 /nfs/dbraw/zinc/76/46/43/1002764643.db2.gz JNAMTFVZDYRGQQ-FCDQGJHFSA-N 2 1 407.602 3.986 20 0 HHADMP COCc1ccccc1/C=C(\C)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000508239463 1002764636 /nfs/dbraw/zinc/76/46/36/1002764636.db2.gz JNAMTFVZDYRGQQ-FCDQGJHFSA-N 2 1 407.602 3.986 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)NCC2(C)CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000508251718 1002773493 /nfs/dbraw/zinc/77/34/93/1002773493.db2.gz OGFFWBVTEMGMDK-APWZRJJASA-N 2 1 410.965 3.503 20 0 HHADMP C[C@H]([NH2+]CCCN1CC[NH+](C)C[C@@H]1c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508718982 1003158916 /nfs/dbraw/zinc/15/89/16/1003158916.db2.gz OOMSCOCFWQTULM-HUROMRQRSA-N 3 1 420.645 3.865 20 0 HHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508718982 1003158911 /nfs/dbraw/zinc/15/89/11/1003158911.db2.gz OOMSCOCFWQTULM-HUROMRQRSA-N 3 1 420.645 3.865 20 0 HHADMP C[C@H]([NH2+]CCCN1CC[NH+](C)C[C@@H]1c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508718982 1003158921 /nfs/dbraw/zinc/15/89/21/1003158921.db2.gz OOMSCOCFWQTULM-HUROMRQRSA-N 3 1 420.645 3.865 20 0 HHADMP C[C@H]([NH2+]CCCN1CCN(C)C[C@@H]1c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508718982 1003158925 /nfs/dbraw/zinc/15/89/25/1003158925.db2.gz OOMSCOCFWQTULM-HUROMRQRSA-N 2 1 420.645 3.865 20 0 HHADMP C[C@H]([NH2+]CCCN1CCN(C)C[C@@H]1c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508718982 1003158929 /nfs/dbraw/zinc/15/89/29/1003158929.db2.gz OOMSCOCFWQTULM-HUROMRQRSA-N 2 1 420.645 3.865 20 0 HHADMP CC(C)C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1nccs1 ZINC000508720899 1003161734 /nfs/dbraw/zinc/16/17/34/1003161734.db2.gz NUQUIDGJZUUPPR-IHPCNDPISA-N 2 1 400.592 3.997 20 0 HHADMP CC(C)C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1nccs1 ZINC000508720899 1003161742 /nfs/dbraw/zinc/16/17/42/1003161742.db2.gz NUQUIDGJZUUPPR-IHPCNDPISA-N 2 1 400.592 3.997 20 0 HHADMP C[C@H](NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000508897648 1003329166 /nfs/dbraw/zinc/32/91/66/1003329166.db2.gz OHIDZQXMIVMMGF-NZJKTDFXSA-N 2 1 420.601 3.985 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000508905474 1003343609 /nfs/dbraw/zinc/34/36/09/1003343609.db2.gz LEYYUIVXCMLXKI-AGILITTLSA-N 2 1 423.605 3.769 20 0 HHADMP C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000508941895 1003394381 /nfs/dbraw/zinc/39/43/81/1003394381.db2.gz MRMXCLTWGKVCQD-LVCYWYKZSA-N 2 1 411.512 3.820 20 0 HHADMP C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000508941895 1003394388 /nfs/dbraw/zinc/39/43/88/1003394388.db2.gz MRMXCLTWGKVCQD-LVCYWYKZSA-N 2 1 411.512 3.820 20 0 HHADMP C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000508941895 1003394336 /nfs/dbraw/zinc/39/43/36/1003394336.db2.gz MRMXCLTWGKVCQD-LVCYWYKZSA-N 2 1 411.512 3.820 20 0 HHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)C[C@@H](C)O1 ZINC000508968148 1003437106 /nfs/dbraw/zinc/43/71/06/1003437106.db2.gz UYDJDRZPTNWGND-IAGOWNOFSA-N 2 1 400.485 3.796 20 0 HHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000500159211 1003513690 /nfs/dbraw/zinc/51/36/90/1003513690.db2.gz KURGJJYXWLDDHV-UHFFFAOYSA-N 2 1 408.590 3.598 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000500719521 1003918901 /nfs/dbraw/zinc/91/89/01/1003918901.db2.gz IGQCVGFEDKVAKF-BGYRXZFFSA-N 2 1 415.626 3.696 20 0 HHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1)c1ccco1 ZINC000509595182 1003968662 /nfs/dbraw/zinc/96/86/62/1003968662.db2.gz GPGRCTUGRCXMSX-PKOBYXMFSA-N 2 1 400.523 3.665 20 0 HHADMP C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000500898074 1004037060 /nfs/dbraw/zinc/03/70/60/1004037060.db2.gz DHSFZNKPVCIIDC-NHCUHLMSSA-N 2 1 407.002 3.849 20 0 HHADMP C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000500898074 1004037069 /nfs/dbraw/zinc/03/70/69/1004037069.db2.gz DHSFZNKPVCIIDC-NHCUHLMSSA-N 2 1 407.002 3.849 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000509709394 1004042967 /nfs/dbraw/zinc/04/29/67/1004042967.db2.gz BTZCTDXUFMSWDR-IRLDBZIGSA-N 2 1 400.611 3.707 20 0 HHADMP C[C@H]1C[C@@H](CCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000509766224 1004081574 /nfs/dbraw/zinc/08/15/74/1004081574.db2.gz HACRPVMRDRRLIN-PZJWPPBQSA-N 2 1 400.611 3.849 20 0 HHADMP CCOc1c(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(C)nn1CC(C)C ZINC000512196657 1004097596 /nfs/dbraw/zinc/09/75/96/1004097596.db2.gz QDHBDSHVTWWUSW-RTBURBONSA-N 2 1 406.615 3.567 20 0 HHADMP CCN(C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000501017747 1004120761 /nfs/dbraw/zinc/12/07/61/1004120761.db2.gz BRSHIJMQKLEBCA-IBGZPJMESA-N 2 1 412.553 3.979 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[N@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)c2cc1C ZINC000512235499 1004135750 /nfs/dbraw/zinc/13/57/50/1004135750.db2.gz CJKMBNFCSWWDMT-BVAGGSTKSA-N 2 1 418.585 3.612 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[NH+]3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)c2cc1C ZINC000512235499 1004135762 /nfs/dbraw/zinc/13/57/62/1004135762.db2.gz CJKMBNFCSWWDMT-BVAGGSTKSA-N 2 1 418.585 3.612 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[NH+]3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)c2cc1C ZINC000512235499 1004135772 /nfs/dbraw/zinc/13/57/72/1004135772.db2.gz CJKMBNFCSWWDMT-BVAGGSTKSA-N 2 1 418.585 3.612 20 0 HHADMP Cc1cc2ncn(C[C@@H](O)C[N@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)c2cc1C ZINC000512235501 1004136076 /nfs/dbraw/zinc/13/60/76/1004136076.db2.gz CJKMBNFCSWWDMT-OZXSUGGESA-N 2 1 418.585 3.612 20 0 HHADMP Cc1cc2ncn(C[C@@H](O)C[NH+]3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)c2cc1C ZINC000512235501 1004136081 /nfs/dbraw/zinc/13/60/81/1004136081.db2.gz CJKMBNFCSWWDMT-OZXSUGGESA-N 2 1 418.585 3.612 20 0 HHADMP Cc1cc2ncn(C[C@@H](O)C[NH+]3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)c2cc1C ZINC000512235501 1004136086 /nfs/dbraw/zinc/13/60/86/1004136086.db2.gz CJKMBNFCSWWDMT-OZXSUGGESA-N 2 1 418.585 3.612 20 0 HHADMP O[C@@H](COc1ccc(Cl)cc1)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237449 1004139208 /nfs/dbraw/zinc/13/92/08/1004139208.db2.gz RCYCFWOAPIKCSB-GGAORHGYSA-N 2 1 400.950 3.678 20 0 HHADMP O[C@@H](COc1ccc(Cl)cc1)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237449 1004139217 /nfs/dbraw/zinc/13/92/17/1004139217.db2.gz RCYCFWOAPIKCSB-GGAORHGYSA-N 2 1 400.950 3.678 20 0 HHADMP O[C@@H](COc1ccc(Cl)cc1)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512237449 1004139221 /nfs/dbraw/zinc/13/92/21/1004139221.db2.gz RCYCFWOAPIKCSB-GGAORHGYSA-N 2 1 400.950 3.678 20 0 HHADMP O[C@@H](COc1ccc(Cl)cc1)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512237449 1004139228 /nfs/dbraw/zinc/13/92/28/1004139228.db2.gz RCYCFWOAPIKCSB-GGAORHGYSA-N 2 1 400.950 3.678 20 0 HHADMP C[N@@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501050656 1004152553 /nfs/dbraw/zinc/15/25/53/1004152553.db2.gz DYQXROJKMKFFRH-IBGZPJMESA-N 2 1 424.372 3.977 20 0 HHADMP C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501071919 1004174890 /nfs/dbraw/zinc/17/48/90/1004174890.db2.gz ARZODEYUFKWUBH-MRXNPFEDSA-N 2 1 409.559 3.867 20 0 HHADMP COc1cc(-c2noc(C[N@@H+](C)CC3CCN(c4cc[nH+]cc4)CC3)n2)ccc1C ZINC000501078566 1004183420 /nfs/dbraw/zinc/18/34/20/1004183420.db2.gz KGOPFIRDUFHPPZ-UHFFFAOYSA-N 2 1 407.518 3.797 20 0 HHADMP C[N@@H+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501091275 1004196779 /nfs/dbraw/zinc/19/67/79/1004196779.db2.gz VDRGPYBRWMRCOK-HXUWFJFHSA-N 2 1 423.479 3.689 20 0 HHADMP O[C@@H](COCc1ccccc1Cl)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512293927 1004197886 /nfs/dbraw/zinc/19/78/86/1004197886.db2.gz NIZSXLUAOYYQQK-ISKFKSNPSA-N 2 1 414.977 3.816 20 0 HHADMP O[C@@H](COCc1ccccc1Cl)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512293927 1004197892 /nfs/dbraw/zinc/19/78/92/1004197892.db2.gz NIZSXLUAOYYQQK-ISKFKSNPSA-N 2 1 414.977 3.816 20 0 HHADMP O[C@@H](COCc1ccccc1Cl)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512293927 1004197898 /nfs/dbraw/zinc/19/78/98/1004197898.db2.gz NIZSXLUAOYYQQK-ISKFKSNPSA-N 2 1 414.977 3.816 20 0 HHADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1OCC(=O)N(C)C ZINC000512312539 1004209629 /nfs/dbraw/zinc/20/96/29/1004209629.db2.gz DREYQXSUKJDVEC-KNKQGSTJSA-N 2 1 401.595 3.847 20 0 HHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000512322255 1004216060 /nfs/dbraw/zinc/21/60/60/1004216060.db2.gz IQFWTWRJEBNUNJ-CMKODMSKSA-N 2 1 405.608 3.530 20 0 HHADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1cc(Br)ccc1F ZINC000501133496 1004225492 /nfs/dbraw/zinc/22/54/92/1004225492.db2.gz KGRHYHILEABYEX-UHFFFAOYSA-N 2 1 400.380 3.826 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccsc1 ZINC000501155907 1004240921 /nfs/dbraw/zinc/24/09/21/1004240921.db2.gz WNYSHXOKVGSZNQ-RTWAWAEBSA-N 2 1 400.592 3.829 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccsc1 ZINC000501155907 1004240929 /nfs/dbraw/zinc/24/09/29/1004240929.db2.gz WNYSHXOKVGSZNQ-RTWAWAEBSA-N 2 1 400.592 3.829 20 0 HHADMP C[C@@H](CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)OCc1ccccc1 ZINC000512410374 1004278247 /nfs/dbraw/zinc/27/82/47/1004278247.db2.gz RPOZTMSMFQARDW-OZXSUGGESA-N 2 1 407.602 3.874 20 0 HHADMP CCC[NH+]1CCC(N(C)C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512423395 1004289894 /nfs/dbraw/zinc/28/98/94/1004289894.db2.gz GIUBKDVVDJMOHE-IFMALSPDSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@H]1C[C@H](CCNC(=O)N(CC[NH+](C)C)C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000512425060 1004291094 /nfs/dbraw/zinc/29/10/94/1004291094.db2.gz WXXHBCGDFXEGHF-UNMCSNQZSA-N 2 1 400.611 3.803 20 0 HHADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[C@H]1C[C@H](C)[NH+](Cc3ccccc3)C1)CC2 ZINC000512429793 1004296509 /nfs/dbraw/zinc/29/65/09/1004296509.db2.gz JOIGMKMJWSZDFT-XGAJZPNHSA-N 2 1 412.622 3.944 20 0 HHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc3ccccc3)C1)CC2 ZINC000512429793 1004296519 /nfs/dbraw/zinc/29/65/19/1004296519.db2.gz JOIGMKMJWSZDFT-XGAJZPNHSA-N 2 1 412.622 3.944 20 0 HHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc3ccccc3)C1)CC2 ZINC000512429793 1004296530 /nfs/dbraw/zinc/29/65/30/1004296530.db2.gz JOIGMKMJWSZDFT-XGAJZPNHSA-N 2 1 412.622 3.944 20 0 HHADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000501274615 1004327375 /nfs/dbraw/zinc/32/73/75/1004327375.db2.gz DXHGEVBMYREZBR-LJQANCHMSA-N 2 1 410.400 3.696 20 0 HHADMP CC[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[NH+]1CCc2ccccc2C1 ZINC000501364367 1004369337 /nfs/dbraw/zinc/36/93/37/1004369337.db2.gz SLJHSELJKJCMLA-RUZDIDTESA-N 2 1 420.601 3.741 20 0 HHADMP CC[C@H](CNC(=O)N1CCC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000501364367 1004369343 /nfs/dbraw/zinc/36/93/43/1004369343.db2.gz SLJHSELJKJCMLA-RUZDIDTESA-N 2 1 420.601 3.741 20 0 HHADMP CC[C@H](CNC(=O)N1CCC[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000501364367 1004369349 /nfs/dbraw/zinc/36/93/49/1004369349.db2.gz SLJHSELJKJCMLA-RUZDIDTESA-N 2 1 420.601 3.741 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)c1 ZINC000501378897 1004377667 /nfs/dbraw/zinc/37/76/67/1004377667.db2.gz UNDACEHUZUHNHB-GMAHTHKFSA-N 2 1 422.573 3.558 20 0 HHADMP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501387592 1004383634 /nfs/dbraw/zinc/38/36/34/1004383634.db2.gz IADCSYLSISTWLD-JTHBVZDNSA-N 2 1 400.611 3.805 20 0 HHADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000501391656 1004386567 /nfs/dbraw/zinc/38/65/67/1004386567.db2.gz MXORZUICMDFBIS-UCFCWBNQSA-N 2 1 424.589 3.508 20 0 HHADMP CCC[N@H+](CC(=O)Nc1cc(F)ccc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510236270 1004415124 /nfs/dbraw/zinc/41/51/24/1004415124.db2.gz KREQYDQJCRKXBB-UHFFFAOYSA-N 2 1 417.504 3.691 20 0 HHADMP CCC[N@@H+](CC(=O)Nc1cc(F)ccc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510236270 1004415128 /nfs/dbraw/zinc/41/51/28/1004415128.db2.gz KREQYDQJCRKXBB-UHFFFAOYSA-N 2 1 417.504 3.691 20 0 HHADMP CCC[N@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510247736 1004423487 /nfs/dbraw/zinc/42/34/87/1004423487.db2.gz ZUHMBJKUBKHXAR-SFGWALBWSA-N 2 1 415.626 3.715 20 0 HHADMP CCC[N@@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510247736 1004423491 /nfs/dbraw/zinc/42/34/91/1004423491.db2.gz ZUHMBJKUBKHXAR-SFGWALBWSA-N 2 1 415.626 3.715 20 0 HHADMP CCC[N@H+](CC(=O)Nc1cccc(CC)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510249788 1004425408 /nfs/dbraw/zinc/42/54/08/1004425408.db2.gz RDOVSNRXPTWNAN-UHFFFAOYSA-N 2 1 409.578 3.975 20 0 HHADMP CCC[N@@H+](CC(=O)Nc1cccc(CC)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510249788 1004425418 /nfs/dbraw/zinc/42/54/18/1004425418.db2.gz RDOVSNRXPTWNAN-UHFFFAOYSA-N 2 1 409.578 3.975 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4ccccc4N4CCOCC4)[C@@H]3C2)cc1 ZINC000512612305 1004425666 /nfs/dbraw/zinc/42/56/66/1004425666.db2.gz OJOSIQFWSVWATN-GVAUOCQISA-N 2 1 405.586 3.914 20 0 HHADMP O=C1C[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CN1Cc1ccccc1 ZINC000512616821 1004429603 /nfs/dbraw/zinc/42/96/03/1004429603.db2.gz CTTFNOWIHKLAHM-FXSWLTOZSA-N 2 1 417.597 3.925 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H](c4cccnc4)C3)c2)C1 ZINC000501472914 1004447319 /nfs/dbraw/zinc/44/73/19/1004447319.db2.gz FYSABNPBIQHLFW-GMKZXUHWSA-N 2 1 406.574 3.595 20 0 HHADMP C[C@H]1C[C@H](CCNC(=O)NC2CC[NH+](C3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000510345319 1004496850 /nfs/dbraw/zinc/49/68/50/1004496850.db2.gz ZBYXZLFTEPYIGQ-UNMCSNQZSA-N 2 1 412.622 3.993 20 0 HHADMP C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000512711346 1004510569 /nfs/dbraw/zinc/51/05/69/1004510569.db2.gz GXBRGSXOVZCSDC-FPOVZHCZSA-N 2 1 416.585 3.696 20 0 HHADMP C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000512711346 1004510580 /nfs/dbraw/zinc/51/05/80/1004510580.db2.gz GXBRGSXOVZCSDC-FPOVZHCZSA-N 2 1 416.585 3.696 20 0 HHADMP C[C@H](NC(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512711346 1004510591 /nfs/dbraw/zinc/51/05/91/1004510591.db2.gz GXBRGSXOVZCSDC-FPOVZHCZSA-N 2 1 416.585 3.696 20 0 HHADMP C[C@H](NC(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512711346 1004510597 /nfs/dbraw/zinc/51/05/97/1004510597.db2.gz GXBRGSXOVZCSDC-FPOVZHCZSA-N 2 1 416.585 3.696 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C[C@@H]1C ZINC000512800966 1004567139 /nfs/dbraw/zinc/56/71/39/1004567139.db2.gz BTKPRNKNLZFQSG-VCOUNFBDSA-N 2 1 404.599 3.591 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000510505359 1004627396 /nfs/dbraw/zinc/62/73/96/1004627396.db2.gz XFBGITCANFEBNH-IRLDBZIGSA-N 2 1 412.622 3.912 20 0 HHADMP CCc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)[NH+](C)C)cc1 ZINC000510525342 1004653972 /nfs/dbraw/zinc/65/39/72/1004653972.db2.gz MWAPZZQVBROGHV-HARLFGEKSA-N 2 1 400.611 3.804 20 0 HHADMP C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510544867 1004677240 /nfs/dbraw/zinc/67/72/40/1004677240.db2.gz JQMLJTVCIHLSNP-NLWGTHIKSA-N 2 1 404.624 3.837 20 0 HHADMP CC(C)Oc1ccc([C@H](CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)[NH+](C)C)cc1 ZINC000512919522 1004691401 /nfs/dbraw/zinc/69/14/01/1004691401.db2.gz ZXISDTNPKOICBA-IRLDBZIGSA-N 2 1 404.599 3.592 20 0 HHADMP CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501768224 1004705133 /nfs/dbraw/zinc/70/51/33/1004705133.db2.gz ARHHBGQXKRZQJY-MRXNPFEDSA-N 2 1 409.596 3.614 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1F ZINC000510561579 1004705337 /nfs/dbraw/zinc/70/53/37/1004705337.db2.gz NROSYSOVAFMHFZ-QFBILLFUSA-N 2 1 413.541 3.772 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1F ZINC000510561579 1004705344 /nfs/dbraw/zinc/70/53/44/1004705344.db2.gz NROSYSOVAFMHFZ-QFBILLFUSA-N 2 1 413.541 3.772 20 0 HHADMP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000501768480 1004705415 /nfs/dbraw/zinc/70/54/15/1004705415.db2.gz WATKTMXMERUJLN-IBGZPJMESA-N 2 1 410.400 3.604 20 0 HHADMP Cc1cc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)n([C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000501782860 1004724080 /nfs/dbraw/zinc/72/40/80/1004724080.db2.gz WVCOUOZXZZHEMJ-YADHBBJMSA-N 2 1 409.578 3.842 20 0 HHADMP Cc1cc(NC(=O)CC[C@H]2CCCC[NH+]2C)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000501782860 1004724087 /nfs/dbraw/zinc/72/40/87/1004724087.db2.gz WVCOUOZXZZHEMJ-YADHBBJMSA-N 2 1 409.578 3.842 20 0 HHADMP Cc1cc(NC(=O)CC[C@H]2CCCC[NH+]2C)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000501782860 1004724095 /nfs/dbraw/zinc/72/40/95/1004724095.db2.gz WVCOUOZXZZHEMJ-YADHBBJMSA-N 2 1 409.578 3.842 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nnc(-c3ccccc3Cl)o2)CC1 ZINC000501785704 1004727999 /nfs/dbraw/zinc/72/79/99/1004727999.db2.gz MSIYYGCCDKXIRW-UHFFFAOYSA-N 2 1 406.958 3.960 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000510640874 1004771954 /nfs/dbraw/zinc/77/19/54/1004771954.db2.gz WGTICQPXNQYALB-QKNQBKEWSA-N 2 1 413.610 3.559 20 0 HHADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510640873 1004772019 /nfs/dbraw/zinc/77/20/19/1004772019.db2.gz WGTICQPXNQYALB-IRFCIJBXSA-N 2 1 413.610 3.559 20 0 HHADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000513084922 1004797598 /nfs/dbraw/zinc/79/75/98/1004797598.db2.gz YFCDPFIKHWUOEW-UHFFFAOYSA-N 2 1 420.601 3.565 20 0 HHADMP Cc1cc(OCCC[C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)ccc1Cl ZINC000510699096 1004804947 /nfs/dbraw/zinc/80/49/47/1004804947.db2.gz YYNGLBVUSISUBG-GOSISDBHSA-N 2 1 410.002 3.728 20 0 HHADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000513267486 1004887556 /nfs/dbraw/zinc/88/75/56/1004887556.db2.gz MECJCJIVEFJTID-HSZRJFAPSA-N 2 1 409.599 3.630 20 0 HHADMP COc1cccc(C[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C2CC2)c1 ZINC000513372342 1004931767 /nfs/dbraw/zinc/93/17/67/1004931767.db2.gz PHZCCBXEXGDHJW-ILBGXUMGSA-N 2 1 421.585 3.503 20 0 HHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000510929245 1004938304 /nfs/dbraw/zinc/93/83/04/1004938304.db2.gz DANRZGRUFQKKDL-NRFANRHFSA-N 2 1 419.497 3.643 20 0 HHADMP O=C(Cc1ccccc1)N1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000510942854 1004946372 /nfs/dbraw/zinc/94/63/72/1004946372.db2.gz COFSSEYCCZCXJR-ASDGIDEWSA-N 2 1 417.597 3.720 20 0 HHADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000510951847 1004950950 /nfs/dbraw/zinc/95/09/50/1004950950.db2.gz PZLBKKIAPVCUOV-AVRDEDQJSA-N 2 1 415.603 3.546 20 0 HHADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000510951847 1004950952 /nfs/dbraw/zinc/95/09/52/1004950952.db2.gz PZLBKKIAPVCUOV-AVRDEDQJSA-N 2 1 415.603 3.546 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)cc1 ZINC000510962496 1004955884 /nfs/dbraw/zinc/95/58/84/1004955884.db2.gz RAXNPUNFRRFXEE-NQIIRXRSSA-N 2 1 404.514 3.511 20 0 HHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(Oc4cc(F)cc(F)c4)cc3)C2)CC1 ZINC000513460979 1004976402 /nfs/dbraw/zinc/97/64/02/1004976402.db2.gz JBTNJELJONHWML-NRFANRHFSA-N 2 1 401.501 3.969 20 0 HHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4ccc(Br)cc4)o3)C2)CC1 ZINC000513486403 1004986567 /nfs/dbraw/zinc/98/65/67/1004986567.db2.gz YBVINFAHBMTQSY-IBGZPJMESA-N 2 1 418.379 3.921 20 0 HHADMP COc1cc(C)c(C[C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1OC ZINC000502274031 1004988750 /nfs/dbraw/zinc/98/87/50/1004988750.db2.gz MONSGIZDDYPEEH-UXHICEINSA-N 2 1 412.574 3.954 20 0 HHADMP COc1cc(C)c(C[C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1OC ZINC000502274031 1004988753 /nfs/dbraw/zinc/98/87/53/1004988753.db2.gz MONSGIZDDYPEEH-UXHICEINSA-N 2 1 412.574 3.954 20 0 HHADMP CCN(C(C)=O)c1nc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cs1 ZINC000513514749 1004999444 /nfs/dbraw/zinc/99/94/44/1004999444.db2.gz YMTNUOZYQJKKQD-XLIONFOSSA-N 2 1 400.592 3.906 20 0 HHADMP CCN(C(C)=O)c1nc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cs1 ZINC000513514749 1004999449 /nfs/dbraw/zinc/99/94/49/1004999449.db2.gz YMTNUOZYQJKKQD-XLIONFOSSA-N 2 1 400.592 3.906 20 0 HHADMP C[N@H+]1CCN(CCC[NH2+][C@@H](Cc2ccccn2)c2cccnc2)[C@@H](c2ccccc2)C1 ZINC000513518440 1005001795 /nfs/dbraw/zinc/00/17/95/1005001795.db2.gz MKAUERKACIWYRE-IZZNHLLZSA-N 2 1 415.585 3.729 20 0 HHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)[C@@H]2CCC[C@@H]21 ZINC000513713600 1005092800 /nfs/dbraw/zinc/09/28/00/1005092800.db2.gz QJOIUCOMACWWSG-FKBYEOEOSA-N 2 1 417.550 3.589 20 0 HHADMP C[C@@H](NC(=O)N(CCCc1ccccc1)CC[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511309446 1005118583 /nfs/dbraw/zinc/11/85/83/1005118583.db2.gz ROGPGFFSLFBEPV-FYYLOGMGSA-N 2 1 414.638 3.845 20 0 HHADMP C[C@H](NC(=O)N(CCCc1ccccc1)CC[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511309475 1005119032 /nfs/dbraw/zinc/11/90/32/1005119032.db2.gz ROGPGFFSLFBEPV-JTHBVZDNSA-N 2 1 414.638 3.845 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511410686 1005164383 /nfs/dbraw/zinc/16/43/83/1005164383.db2.gz PBJGSIAJAKGQQQ-JFJDKTSWSA-N 2 1 412.622 3.992 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511410686 1005164384 /nfs/dbraw/zinc/16/43/84/1005164384.db2.gz PBJGSIAJAKGQQQ-JFJDKTSWSA-N 2 1 412.622 3.992 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511410686 1005164385 /nfs/dbraw/zinc/16/43/85/1005164385.db2.gz PBJGSIAJAKGQQQ-JFJDKTSWSA-N 2 1 412.622 3.992 20 0 HHADMP C[C@@H]1CN([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c2c(F)cccc2Cl)CCO1 ZINC000514086550 1005259453 /nfs/dbraw/zinc/25/94/53/1005259453.db2.gz BEYQFDZQSZNIMS-RYFZRTLDSA-N 2 1 409.977 3.703 20 0 HHADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccccc2OC(F)(F)F)CC1 ZINC000511669938 1005269508 /nfs/dbraw/zinc/26/95/08/1005269508.db2.gz ZFUOUZGRDINRSK-UHFFFAOYSA-N 2 1 415.500 3.501 20 0 HHADMP C[C@@H]1CC[N@H+](C)CCN1C(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000502964935 1005295127 /nfs/dbraw/zinc/29/51/27/1005295127.db2.gz LMPKQVBNICOXRK-WIYYLYMNSA-N 2 1 412.603 3.583 20 0 HHADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000502964935 1005295131 /nfs/dbraw/zinc/29/51/31/1005295131.db2.gz LMPKQVBNICOXRK-WIYYLYMNSA-N 2 1 412.603 3.583 20 0 HHADMP C[C@@H]1CC[NH+](C)CCN1C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000502964935 1005295135 /nfs/dbraw/zinc/29/51/35/1005295135.db2.gz LMPKQVBNICOXRK-WIYYLYMNSA-N 2 1 412.603 3.583 20 0 HHADMP C[C@@H]1CC[NH+](C)CCN1C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000502964935 1005295139 /nfs/dbraw/zinc/29/51/39/1005295139.db2.gz LMPKQVBNICOXRK-WIYYLYMNSA-N 2 1 412.603 3.583 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC000514201322 1005309882 /nfs/dbraw/zinc/30/98/82/1005309882.db2.gz FBEQFPWVIQXYGB-JTHBVZDNSA-N 2 1 424.589 3.652 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[NH+](C)C ZINC000514201322 1005309885 /nfs/dbraw/zinc/30/98/85/1005309885.db2.gz FBEQFPWVIQXYGB-JTHBVZDNSA-N 2 1 424.589 3.652 20 0 HHADMP C[C@@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000503028534 1005320006 /nfs/dbraw/zinc/32/00/06/1005320006.db2.gz DINZFGHXRVQXLV-NRFANRHFSA-N 2 1 408.590 3.813 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000514235589 1005325446 /nfs/dbraw/zinc/32/54/46/1005325446.db2.gz FSHGQIFCXWFULH-PKTZIBPZSA-N 2 1 415.626 3.588 20 0 HHADMP CC[NH+](CC)CCCNC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000503043005 1005325597 /nfs/dbraw/zinc/32/55/97/1005325597.db2.gz BCALBCYNBCREST-OAQYLSRUSA-N 2 1 414.619 3.879 20 0 HHADMP CC[NH+](CC)CCCNC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000503043005 1005325603 /nfs/dbraw/zinc/32/56/03/1005325603.db2.gz BCALBCYNBCREST-OAQYLSRUSA-N 2 1 414.619 3.879 20 0 HHADMP Cc1nc(COc2ccc(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@H](O)C3)cc2)cs1 ZINC000514235046 1005325821 /nfs/dbraw/zinc/32/58/21/1005325821.db2.gz WIIXHQGNFDWZLI-QHCPKHFHSA-N 2 1 423.582 3.887 20 0 HHADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000503052472 1005328958 /nfs/dbraw/zinc/32/89/58/1005328958.db2.gz LIASQHLMTHKAIQ-UHFFFAOYSA-N 2 1 409.347 3.691 20 0 HHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000503073814 1005338474 /nfs/dbraw/zinc/33/84/74/1005338474.db2.gz IGYRTHGQMWUKKD-DEOSSOPVSA-N 2 1 402.542 3.688 20 0 HHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000503073814 1005338480 /nfs/dbraw/zinc/33/84/80/1005338480.db2.gz IGYRTHGQMWUKKD-DEOSSOPVSA-N 2 1 402.542 3.688 20 0 HHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000503073817 1005338719 /nfs/dbraw/zinc/33/87/19/1005338719.db2.gz IGYRTHGQMWUKKD-XMMPIXPASA-N 2 1 402.542 3.688 20 0 HHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000503073817 1005338726 /nfs/dbraw/zinc/33/87/26/1005338726.db2.gz IGYRTHGQMWUKKD-XMMPIXPASA-N 2 1 402.542 3.688 20 0 HHADMP C[C@@H]1CCN(CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)C[C@@H]1n1ccnc1 ZINC000503078829 1005341312 /nfs/dbraw/zinc/34/13/12/1005341312.db2.gz ABXYFBPUQVJRPZ-YNJKOYDBSA-N 2 1 414.553 3.940 20 0 HHADMP CC(C)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000503200429 1005367235 /nfs/dbraw/zinc/36/72/35/1005367235.db2.gz VHHPFCWJYRMNCP-ZEQRLZLVSA-N 2 1 414.638 3.607 20 0 HHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000503356762 1005397090 /nfs/dbraw/zinc/39/70/90/1005397090.db2.gz OHVRRGBQEMWANZ-SFLYRZDNSA-N 2 1 408.590 3.808 20 0 HHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)C2)CC1 ZINC000503386196 1005404961 /nfs/dbraw/zinc/40/49/61/1005404961.db2.gz LPFULXDPWAZEER-ZRBLBEILSA-N 2 1 406.659 3.898 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000503952797 1005518276 /nfs/dbraw/zinc/51/82/76/1005518276.db2.gz KSHSOUZVPTXXDY-SFHVURJKSA-N 2 1 407.002 3.868 20 0 HHADMP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H](C)[N@@H+]3CCc4ccccc4C3)c2)CC1 ZINC000504207650 1005573438 /nfs/dbraw/zinc/57/34/38/1005573438.db2.gz KCOZNADZOBOYMS-HXUWFJFHSA-N 2 1 406.574 3.602 20 0 HHADMP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H](C)[N@H+]3CCc4ccccc4C3)c2)CC1 ZINC000504207650 1005573440 /nfs/dbraw/zinc/57/34/40/1005573440.db2.gz KCOZNADZOBOYMS-HXUWFJFHSA-N 2 1 406.574 3.602 20 0 HHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000504434633 1005627940 /nfs/dbraw/zinc/62/79/40/1005627940.db2.gz DWEYDRFJMKZJJA-NRFANRHFSA-N 2 1 423.605 3.729 20 0 HHADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc3c(c2)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000531188786 1006034964 /nfs/dbraw/zinc/03/49/64/1006034964.db2.gz BHGZDZILAHUUME-RXVVDRJESA-N 2 1 409.530 3.729 20 0 HHADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc3c(c2)OCO3)CC[N@H+]1Cc1ccccc1 ZINC000531188786 1006034973 /nfs/dbraw/zinc/03/49/73/1006034973.db2.gz BHGZDZILAHUUME-RXVVDRJESA-N 2 1 409.530 3.729 20 0 HHADMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc3c(c2)OCO3)CC[NH+]1Cc1ccccc1 ZINC000531188786 1006034980 /nfs/dbraw/zinc/03/49/80/1006034980.db2.gz BHGZDZILAHUUME-RXVVDRJESA-N 2 1 409.530 3.729 20 0 HHADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccc3c(c2)OCO3)CC[NH+]1Cc1ccccc1 ZINC000531188786 1006034985 /nfs/dbraw/zinc/03/49/85/1006034985.db2.gz BHGZDZILAHUUME-RXVVDRJESA-N 2 1 409.530 3.729 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000514566916 1006039712 /nfs/dbraw/zinc/03/97/12/1006039712.db2.gz YUDGGRDCDPZITE-XMMPIXPASA-N 2 1 424.564 3.880 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000514566916 1006039723 /nfs/dbraw/zinc/03/97/23/1006039723.db2.gz YUDGGRDCDPZITE-XMMPIXPASA-N 2 1 424.564 3.880 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000531207279 1006047522 /nfs/dbraw/zinc/04/75/22/1006047522.db2.gz GSLFYOCGIIUCJF-UGKGYDQZSA-N 2 1 412.603 3.867 20 0 HHADMP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000534124278 1006098738 /nfs/dbraw/zinc/09/87/38/1006098738.db2.gz AIHTWMLKYGQANF-BAGYTPMASA-N 2 1 412.965 3.509 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000534124278 1006098748 /nfs/dbraw/zinc/09/87/48/1006098748.db2.gz AIHTWMLKYGQANF-BAGYTPMASA-N 2 1 412.965 3.509 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000534124278 1006098760 /nfs/dbraw/zinc/09/87/60/1006098760.db2.gz AIHTWMLKYGQANF-BAGYTPMASA-N 2 1 412.965 3.509 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000534124278 1006098773 /nfs/dbraw/zinc/09/87/73/1006098773.db2.gz AIHTWMLKYGQANF-BAGYTPMASA-N 2 1 412.965 3.509 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[NH+](C)C ZINC000531317101 1006117543 /nfs/dbraw/zinc/11/75/43/1006117543.db2.gz KKEPQVMFTPZKOX-UXHICEINSA-N 2 1 418.969 3.553 20 0 HHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000531380540 1006162939 /nfs/dbraw/zinc/16/29/39/1006162939.db2.gz HDNULBHCKUFSIX-LJQANCHMSA-N 2 1 422.525 3.882 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C2CCN(c3cc[nH+]cc3C)CC2)cc1F ZINC000531442098 1006198086 /nfs/dbraw/zinc/19/80/86/1006198086.db2.gz BMYLMJOZSOCKQZ-UHFFFAOYSA-N 2 1 407.493 3.556 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000531441976 1006198122 /nfs/dbraw/zinc/19/81/22/1006198122.db2.gz LUWZIZGOAHEAFS-UHFFFAOYSA-N 2 1 406.574 3.729 20 0 HHADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534205723 1006199211 /nfs/dbraw/zinc/19/92/11/1006199211.db2.gz VZUUNTFNMQZUJO-YZLZLFLDSA-N 2 1 410.965 3.644 20 0 HHADMP CC1CC[NH+](CCCNC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534250099 1006257415 /nfs/dbraw/zinc/25/74/15/1006257415.db2.gz IJNTUNYTBZTDLO-RXVVDRJESA-N 2 1 424.992 3.893 20 0 HHADMP CCCC[NH+]1CCC(NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000534257254 1006266230 /nfs/dbraw/zinc/26/62/30/1006266230.db2.gz RLDYQORMMXSRLV-UHFFFAOYSA-N 2 1 412.622 3.949 20 0 HHADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)CCCO2 ZINC000531677593 1006348838 /nfs/dbraw/zinc/34/88/38/1006348838.db2.gz YTCWTAWKCLNAJI-VQTJNVASSA-N 2 1 401.576 3.549 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000531721443 1006378602 /nfs/dbraw/zinc/37/86/02/1006378602.db2.gz QAWWVYCTYTWWQM-BFMBIBTESA-N 2 1 404.558 3.714 20 0 HHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000531759634 1006403691 /nfs/dbraw/zinc/40/36/91/1006403691.db2.gz ZBXCKLVVNLHRHG-XZOQPEGZSA-N 2 1 416.997 3.669 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000531885195 1006498655 /nfs/dbraw/zinc/49/86/55/1006498655.db2.gz KYSREZFDOPIAQU-XVAYZXCPSA-N 2 1 400.611 3.659 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000531885195 1006498658 /nfs/dbraw/zinc/49/86/58/1006498658.db2.gz KYSREZFDOPIAQU-XVAYZXCPSA-N 2 1 400.611 3.659 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000531885195 1006498663 /nfs/dbraw/zinc/49/86/63/1006498663.db2.gz KYSREZFDOPIAQU-XVAYZXCPSA-N 2 1 400.611 3.659 20 0 HHADMP C[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C(c1ccccc1)c1ccccc1 ZINC000531885323 1006498758 /nfs/dbraw/zinc/49/87/58/1006498758.db2.gz FRJOFJKEVFSUML-FQEVSTJZSA-N 2 1 401.558 3.539 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000515517465 1006509906 /nfs/dbraw/zinc/50/99/06/1006509906.db2.gz RNYWMPQJZXPYGM-OALUTQOASA-N 2 1 423.557 3.949 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)cc1 ZINC000531938494 1006532462 /nfs/dbraw/zinc/53/24/62/1006532462.db2.gz VLUDLOZGJMJOFB-SFHVURJKSA-N 2 1 418.541 3.731 20 0 HHADMP COc1ccc([C@H](C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)N2CCOCC2)cc1 ZINC000531947737 1006537906 /nfs/dbraw/zinc/53/79/06/1006537906.db2.gz KYYZKNBIKSAVMA-ZWSUVBHBSA-N 2 1 415.622 3.701 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000531958271 1006546734 /nfs/dbraw/zinc/54/67/34/1006546734.db2.gz ZPFSIJJLMNJYQS-IRXDYDNUSA-N 2 1 412.559 3.843 20 0 HHADMP C[C@H](CNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)C[NH+]1CCCC1 ZINC000515809983 1006690448 /nfs/dbraw/zinc/69/04/48/1006690448.db2.gz FYOSUVUJIIXHGW-HXUWFJFHSA-N 2 1 400.611 3.982 20 0 HHADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)C[NH+]1CCCCC1 ZINC000515825326 1006701954 /nfs/dbraw/zinc/70/19/54/1006701954.db2.gz OBQBLOWJGQGIDM-SFTDATJTSA-N 2 1 400.611 3.840 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)CC1 ZINC000532183867 1006703199 /nfs/dbraw/zinc/70/31/99/1006703199.db2.gz UGBFYTOOXIBSIW-QPPBQGQZSA-N 2 1 412.622 3.797 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000532183867 1006703209 /nfs/dbraw/zinc/70/32/09/1006703209.db2.gz UGBFYTOOXIBSIW-QPPBQGQZSA-N 2 1 412.622 3.797 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000532183867 1006703220 /nfs/dbraw/zinc/70/32/20/1006703220.db2.gz UGBFYTOOXIBSIW-QPPBQGQZSA-N 2 1 412.622 3.797 20 0 HHADMP CC[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(OC)c(OC)c1 ZINC000532188404 1006707530 /nfs/dbraw/zinc/70/75/30/1006707530.db2.gz FCGMLKHFEBYSNP-RTBURBONSA-N 2 1 403.592 3.795 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000515863674 1006723226 /nfs/dbraw/zinc/72/32/26/1006723226.db2.gz IHVYPWYNCLSRCL-UHFFFAOYSA-N 2 1 400.611 3.805 20 0 HHADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000532232291 1006738331 /nfs/dbraw/zinc/73/83/31/1006738331.db2.gz DVDZPOOYTWBCRW-MBSDFSHPSA-N 2 1 415.965 3.592 20 0 HHADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000532232291 1006738345 /nfs/dbraw/zinc/73/83/45/1006738345.db2.gz DVDZPOOYTWBCRW-MBSDFSHPSA-N 2 1 415.965 3.592 20 0 HHADMP CN(c1ccccc1C[NH2+]Cc1cccnc1OCC(F)(F)F)C1CC[NH+](C)CC1 ZINC000532361448 1006818905 /nfs/dbraw/zinc/81/89/05/1006818905.db2.gz MZGCEGLNUQKZKZ-UHFFFAOYSA-N 2 1 422.495 3.843 20 0 HHADMP C[NH+]1CCN(c2ncc(C[NH2+]C(C)(C)Cc3ccc(Cl)cc3Cl)cn2)CC1 ZINC000532393570 1006841213 /nfs/dbraw/zinc/84/12/13/1006841213.db2.gz XZTSULSJKKUBPD-UHFFFAOYSA-N 2 1 408.377 3.646 20 0 HHADMP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000532409903 1006854979 /nfs/dbraw/zinc/85/49/79/1006854979.db2.gz HZBCTMLOIYNULZ-OTWHNJEPSA-N 2 1 422.013 3.681 20 0 HHADMP C[C@H]1CCC[C@](CNC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)([NH+](C)C)C1 ZINC000516154622 1006921318 /nfs/dbraw/zinc/92/13/18/1006921318.db2.gz WJOUFDGWZSSENS-SBUREZEXSA-N 2 1 422.564 3.739 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1sccc1Br ZINC000532498105 1006939955 /nfs/dbraw/zinc/93/99/55/1006939955.db2.gz ACOHIDFGOKQRLD-ZDUSSCGKSA-N 2 1 410.381 3.653 20 0 HHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C3CCC(O)(C(F)(F)F)CC3)CC2)cs1 ZINC000532506761 1006946670 /nfs/dbraw/zinc/94/66/70/1006946670.db2.gz CYHJZEUMJQXPMQ-UHFFFAOYSA-N 2 1 405.530 3.743 20 0 HHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000532506823 1006946907 /nfs/dbraw/zinc/94/69/07/1006946907.db2.gz NJSJKKUHYBUXLS-JYBLXFRWSA-N 2 1 413.587 3.904 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)cc1)C(C)C ZINC000534920704 1006955975 /nfs/dbraw/zinc/95/59/75/1006955975.db2.gz TWABXEMINPXGDU-JWQCQUIFSA-N 2 1 423.601 3.530 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cc1)C(C)C ZINC000534920704 1006955987 /nfs/dbraw/zinc/95/59/87/1006955987.db2.gz TWABXEMINPXGDU-JWQCQUIFSA-N 2 1 423.601 3.530 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cc1)C(C)C ZINC000534920704 1006956003 /nfs/dbraw/zinc/95/60/03/1006956003.db2.gz TWABXEMINPXGDU-JWQCQUIFSA-N 2 1 423.601 3.530 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000532521062 1006958914 /nfs/dbraw/zinc/95/89/14/1006958914.db2.gz VKUWUCQOLJOPEH-IAGOWNOFSA-N 2 1 412.559 3.843 20 0 HHADMP C[C@@H]1C[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000538723849 1007000682 /nfs/dbraw/zinc/00/06/82/1007000682.db2.gz DETVECICVDPUJH-CJFMBICVSA-N 2 1 411.565 3.863 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000538723849 1007000696 /nfs/dbraw/zinc/00/06/96/1007000696.db2.gz DETVECICVDPUJH-CJFMBICVSA-N 2 1 411.565 3.863 20 0 HHADMP C[C@H]1C[N@H+](Cc2c(OC(F)F)ccc3ccccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000538724317 1007001173 /nfs/dbraw/zinc/00/11/73/1007001173.db2.gz DPRIXBFTKQZLAU-LAUBAEHRSA-N 2 1 403.517 3.899 20 0 HHADMP C[C@H]1C[N@@H+](Cc2c(OC(F)F)ccc3ccccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000538724317 1007001182 /nfs/dbraw/zinc/00/11/82/1007001182.db2.gz DPRIXBFTKQZLAU-LAUBAEHRSA-N 2 1 403.517 3.899 20 0 HHADMP C[N@@H+](CCNC(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000534963302 1007013254 /nfs/dbraw/zinc/01/32/54/1007013254.db2.gz YXZSTTQWPRUUBS-JXFKEZNVSA-N 2 1 410.965 3.646 20 0 HHADMP C[NH+](CCNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000534963302 1007013268 /nfs/dbraw/zinc/01/32/68/1007013268.db2.gz YXZSTTQWPRUUBS-JXFKEZNVSA-N 2 1 410.965 3.646 20 0 HHADMP C[NH+](CCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000534963302 1007013279 /nfs/dbraw/zinc/01/32/79/1007013279.db2.gz YXZSTTQWPRUUBS-JXFKEZNVSA-N 2 1 410.965 3.646 20 0 HHADMP COc1ccccc1/C=C/C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000538734867 1007015926 /nfs/dbraw/zinc/01/59/26/1007015926.db2.gz HVCUMSASIZKLDS-XYOKQWHBSA-N 2 1 421.585 3.669 20 0 HHADMP Cn1c(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nnc1-c1ccccc1 ZINC000534965014 1007016310 /nfs/dbraw/zinc/01/63/10/1007016310.db2.gz ILKVMRCJNPRMKE-UHFFFAOYSA-N 2 1 401.558 3.970 20 0 HHADMP Cn1c(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nnc1-c1ccccc1 ZINC000534965014 1007016323 /nfs/dbraw/zinc/01/63/23/1007016323.db2.gz ILKVMRCJNPRMKE-UHFFFAOYSA-N 2 1 401.558 3.970 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534969395 1007024059 /nfs/dbraw/zinc/02/40/59/1007024059.db2.gz RIMHPWYARNJNTK-UTKZUKDTSA-N 2 1 422.976 3.646 20 0 HHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000538749522 1007033369 /nfs/dbraw/zinc/03/33/69/1007033369.db2.gz RGQQKOKCQCSYLN-GOSISDBHSA-N 2 1 421.383 3.772 20 0 HHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000538749522 1007033383 /nfs/dbraw/zinc/03/33/83/1007033383.db2.gz RGQQKOKCQCSYLN-GOSISDBHSA-N 2 1 421.383 3.772 20 0 HHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000532627464 1007048748 /nfs/dbraw/zinc/04/87/48/1007048748.db2.gz UHSSPFBVFQXXNA-PKTZIBPZSA-N 2 1 416.997 3.669 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1 ZINC000516582065 1007166889 /nfs/dbraw/zinc/16/68/89/1007166889.db2.gz PTRYXUHOJWHKKO-WMZHIEFXSA-N 2 1 412.553 3.734 20 0 HHADMP Cc1nn(-c2ccc(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)cc2)c(C)c1Cl ZINC000516625326 1007200505 /nfs/dbraw/zinc/20/05/05/1007200505.db2.gz DZKAGUZFMJGDOR-UHFFFAOYSA-N 2 1 424.936 3.542 20 0 HHADMP C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538947210 1007232700 /nfs/dbraw/zinc/23/27/00/1007232700.db2.gz YZWBDKKPUNTUSG-SFHVURJKSA-N 2 1 412.603 3.655 20 0 HHADMP COc1ccc2c(c1)CCC[N@@H+]([C@H](C)C(=O)NC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000532949646 1007320274 /nfs/dbraw/zinc/32/02/74/1007320274.db2.gz NQKNMQJHDPGZLR-HXUWFJFHSA-N 2 1 421.585 3.613 20 0 HHADMP C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000532956654 1007323505 /nfs/dbraw/zinc/32/35/05/1007323505.db2.gz CWACNOQXJUXNPV-MXEMCNAFSA-N 2 1 413.606 3.564 20 0 HHADMP C[C@H](Cn1cc(Br)cn1)[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000539042749 1007339637 /nfs/dbraw/zinc/33/96/37/1007339637.db2.gz JLOZDTDXJCONSF-LMMKCTJWSA-N 2 1 405.384 3.924 20 0 HHADMP COCC[NH+]1CCC([NH2+]Cc2cc(Br)c(C)c(Br)c2)CC1 ZINC000516961219 1007352291 /nfs/dbraw/zinc/35/22/91/1007352291.db2.gz YSBYZOZEPLZFTA-UHFFFAOYSA-N 2 1 420.189 3.720 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C1 ZINC000532985061 1007356393 /nfs/dbraw/zinc/35/63/93/1007356393.db2.gz AEEQOQVDHTWQMM-IBGZPJMESA-N 2 1 412.578 3.706 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000533010671 1007375131 /nfs/dbraw/zinc/37/51/31/1007375131.db2.gz VTDKNVIMDJJGBF-JRGCBEDISA-N 2 1 404.986 3.601 20 0 HHADMP CCC[N@H+](Cc1cn(-c2ccccc2)nn1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533059140 1007421286 /nfs/dbraw/zinc/42/12/86/1007421286.db2.gz ZKROFGJSIAQJET-UHFFFAOYSA-N 2 1 405.550 3.555 20 0 HHADMP CCC[N@@H+](Cc1cn(-c2ccccc2)nn1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533059140 1007421292 /nfs/dbraw/zinc/42/12/92/1007421292.db2.gz ZKROFGJSIAQJET-UHFFFAOYSA-N 2 1 405.550 3.555 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC1 ZINC000535397311 1007462939 /nfs/dbraw/zinc/46/29/39/1007462939.db2.gz NIUALENPGGJVJT-LOSJGSFVSA-N 2 1 420.601 3.985 20 0 HHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000535397311 1007462941 /nfs/dbraw/zinc/46/29/41/1007462941.db2.gz NIUALENPGGJVJT-LOSJGSFVSA-N 2 1 420.601 3.985 20 0 HHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000535397311 1007462943 /nfs/dbraw/zinc/46/29/43/1007462943.db2.gz NIUALENPGGJVJT-LOSJGSFVSA-N 2 1 420.601 3.985 20 0 HHADMP COc1ccccc1[C@H]1CC[N@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000533288812 1007600982 /nfs/dbraw/zinc/60/09/82/1007600982.db2.gz CGYSAJRZGXKONQ-UNMCSNQZSA-N 2 1 421.585 3.654 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535655647 1007669663 /nfs/dbraw/zinc/66/96/63/1007669663.db2.gz OWAQFUHQZFXUHM-WIYYLYMNSA-N 2 1 424.992 3.893 20 0 HHADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ncc(-c3ccccc3)s2)CC1 ZINC000539367849 1007672647 /nfs/dbraw/zinc/67/26/47/1007672647.db2.gz YGMSZNADGBKXNP-UHFFFAOYSA-N 2 1 414.619 3.726 20 0 HHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccccc3Oc3ccccc3)CC2)CC1 ZINC000533377385 1007689400 /nfs/dbraw/zinc/68/94/00/1007689400.db2.gz OFYWJJDTLPEQHI-UHFFFAOYSA-N 2 1 407.558 3.855 20 0 HHADMP Cn1nc(C(C)(C)C)cc1NC(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535681151 1007710276 /nfs/dbraw/zinc/71/02/76/1007710276.db2.gz NPFFYZVTTMCHJZ-UHFFFAOYSA-N 2 1 423.605 3.644 20 0 HHADMP Cn1nc(C(C)(C)C)cc1NC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535681151 1007710284 /nfs/dbraw/zinc/71/02/84/1007710284.db2.gz NPFFYZVTTMCHJZ-UHFFFAOYSA-N 2 1 423.605 3.644 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000535702580 1007740013 /nfs/dbraw/zinc/74/00/13/1007740013.db2.gz UUOFUUMVMPMTBP-CNTRQJEFSA-N 2 1 424.992 3.986 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000535702580 1007740022 /nfs/dbraw/zinc/74/00/22/1007740022.db2.gz UUOFUUMVMPMTBP-CNTRQJEFSA-N 2 1 424.992 3.986 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000535702580 1007740040 /nfs/dbraw/zinc/74/00/40/1007740040.db2.gz UUOFUUMVMPMTBP-CNTRQJEFSA-N 2 1 424.992 3.986 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(COc3ccccc3)cc2)CC1 ZINC000517652591 1007864957 /nfs/dbraw/zinc/86/49/57/1007864957.db2.gz KJTLNONPNNRZQT-UHFFFAOYSA-N 2 1 402.498 3.665 20 0 HHADMP CN(c1ccccc1C[N@H+](C)Cc1cc(Br)cn1C)C1CC[NH+](C)CC1 ZINC000535851339 1007865141 /nfs/dbraw/zinc/86/51/41/1007865141.db2.gz UHFIPROUOLSPKS-UHFFFAOYSA-N 2 1 419.411 3.950 20 0 HHADMP CN(c1ccccc1C[N@@H+](C)Cc1cc(Br)cn1C)C1CC[NH+](C)CC1 ZINC000535851339 1007865150 /nfs/dbraw/zinc/86/51/50/1007865150.db2.gz UHFIPROUOLSPKS-UHFFFAOYSA-N 2 1 419.411 3.950 20 0 HHADMP CCC1(CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000533617673 1007919324 /nfs/dbraw/zinc/91/93/24/1007919324.db2.gz UMUHPJBLYXNEKY-OAQYLSRUSA-N 2 1 412.578 3.874 20 0 HHADMP O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000517730407 1007935628 /nfs/dbraw/zinc/93/56/28/1007935628.db2.gz VNFVEPOBJDRAGR-XMMPIXPASA-N 2 1 405.586 3.722 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000536017410 1008056495 /nfs/dbraw/zinc/05/64/95/1008056495.db2.gz JOJCRVQVASRRDR-IEZKXTBUSA-N 2 1 422.617 3.854 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)[C@H]2CC[NH+](C)C[C@H]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539763627 1008078202 /nfs/dbraw/zinc/07/82/02/1008078202.db2.gz UXADWDYPRSWELG-PSOYPTMXSA-N 2 1 424.992 3.985 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N(C)[C@H]2CC[NH+](C)C[C@H]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539763627 1008078207 /nfs/dbraw/zinc/07/82/07/1008078207.db2.gz UXADWDYPRSWELG-PSOYPTMXSA-N 2 1 424.992 3.985 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539763627 1008078213 /nfs/dbraw/zinc/07/82/13/1008078213.db2.gz UXADWDYPRSWELG-PSOYPTMXSA-N 2 1 424.992 3.985 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539763627 1008078218 /nfs/dbraw/zinc/07/82/18/1008078218.db2.gz UXADWDYPRSWELG-PSOYPTMXSA-N 2 1 424.992 3.985 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000539810850 1008108791 /nfs/dbraw/zinc/10/87/91/1008108791.db2.gz GKURABPMEJEBAA-CZAAIQMYSA-N 2 1 408.537 3.518 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000539810850 1008108795 /nfs/dbraw/zinc/10/87/95/1008108795.db2.gz GKURABPMEJEBAA-CZAAIQMYSA-N 2 1 408.537 3.518 20 0 HHADMP CC(C)[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000539810850 1008108798 /nfs/dbraw/zinc/10/87/98/1008108798.db2.gz GKURABPMEJEBAA-CZAAIQMYSA-N 2 1 408.537 3.518 20 0 HHADMP CC(C)[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000539810850 1008108804 /nfs/dbraw/zinc/10/88/04/1008108804.db2.gz GKURABPMEJEBAA-CZAAIQMYSA-N 2 1 408.537 3.518 20 0 HHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cn(Cc4ccccc4)nc3C(C)(C)C)C2)CC1 ZINC000539820539 1008114035 /nfs/dbraw/zinc/11/40/35/1008114035.db2.gz MANIZXUPPGYWCJ-XMMPIXPASA-N 2 1 423.649 3.829 20 0 HHADMP CCC[N@H+](Cc1c(C)nc2sc(C)nn12)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000539824485 1008119210 /nfs/dbraw/zinc/11/92/10/1008119210.db2.gz CLZALFVFTDFYDM-UHFFFAOYSA-N 2 1 413.595 3.695 20 0 HHADMP CCC[N@@H+](Cc1c(C)nc2sc(C)nn12)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000539824485 1008119214 /nfs/dbraw/zinc/11/92/14/1008119214.db2.gz CLZALFVFTDFYDM-UHFFFAOYSA-N 2 1 413.595 3.695 20 0 HHADMP CC[NH+](CC)CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000536100526 1008124647 /nfs/dbraw/zinc/12/46/47/1008124647.db2.gz VWNHIRNWKMZRRP-ISKFKSNPSA-N 2 1 424.589 3.652 20 0 HHADMP CCOc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1OCC(F)(F)F ZINC000539894242 1008169086 /nfs/dbraw/zinc/16/90/86/1008169086.db2.gz GCVLXIAGVBXJED-JENIJYKNSA-N 2 1 416.484 3.710 20 0 HHADMP CCOc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1OCC(F)(F)F ZINC000539894242 1008169088 /nfs/dbraw/zinc/16/90/88/1008169088.db2.gz GCVLXIAGVBXJED-JENIJYKNSA-N 2 1 416.484 3.710 20 0 HHADMP CC1CC[NH+](CCc2cccc(NC(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)c2)CC1 ZINC000539906076 1008176773 /nfs/dbraw/zinc/17/67/73/1008176773.db2.gz ATFRZQGDROHVNZ-SANMLTNESA-N 2 1 421.585 3.537 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000540044213 1008253466 /nfs/dbraw/zinc/25/34/66/1008253466.db2.gz PNALAESMDXUBKR-OAQYLSRUSA-N 2 1 414.500 3.704 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NCCCC[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)cs1 ZINC000518311387 1008254536 /nfs/dbraw/zinc/25/45/36/1008254536.db2.gz ROLTVBXUTZRKOK-HDICACEKSA-N 2 1 406.640 3.538 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NCCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)cs1 ZINC000518311387 1008254538 /nfs/dbraw/zinc/25/45/38/1008254538.db2.gz ROLTVBXUTZRKOK-HDICACEKSA-N 2 1 406.640 3.538 20 0 HHADMP C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045473 1008254642 /nfs/dbraw/zinc/25/46/42/1008254642.db2.gz PAOPDFVUXPZNSB-UXHICEINSA-N 2 1 406.574 3.986 20 0 HHADMP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000540080387 1008276323 /nfs/dbraw/zinc/27/63/23/1008276323.db2.gz QEBDNAZQTWBPPO-UHFFFAOYSA-N 2 1 413.610 3.596 20 0 HHADMP CCc1ccc(-c2nc(CC(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)cs2)cc1 ZINC000518395191 1008287394 /nfs/dbraw/zinc/28/73/94/1008287394.db2.gz BYBXQZXLKFCROE-UHFFFAOYSA-N 2 1 421.570 3.701 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000540160856 1008316879 /nfs/dbraw/zinc/31/68/79/1008316879.db2.gz OXROFDGAQHBERK-ZECSIRQKSA-N 2 1 420.569 3.802 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc(OCc3cccs3)c2)CC1 ZINC000518467382 1008319287 /nfs/dbraw/zinc/31/92/87/1008319287.db2.gz ACNZNZHGOMBOOB-UHFFFAOYSA-N 2 1 408.527 3.726 20 0 HHADMP COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000518513872 1008333598 /nfs/dbraw/zinc/33/35/98/1008333598.db2.gz WETUSFGKSNEERY-VWLOTQADSA-N 2 1 421.585 3.875 20 0 HHADMP COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000518513872 1008333602 /nfs/dbraw/zinc/33/36/02/1008333602.db2.gz WETUSFGKSNEERY-VWLOTQADSA-N 2 1 421.585 3.875 20 0 HHADMP COc1ccc([C@@H]2CCC[NH+]2CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)cc1 ZINC000518513872 1008333608 /nfs/dbraw/zinc/33/36/08/1008333608.db2.gz WETUSFGKSNEERY-VWLOTQADSA-N 2 1 421.585 3.875 20 0 HHADMP COc1ccc([C@@H]2CCC[NH+]2CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)cc1 ZINC000518513872 1008333612 /nfs/dbraw/zinc/33/36/12/1008333612.db2.gz WETUSFGKSNEERY-VWLOTQADSA-N 2 1 421.585 3.875 20 0 HHADMP C[NH+](C)CCCOc1cnccc1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000518548681 1008344470 /nfs/dbraw/zinc/34/44/70/1008344470.db2.gz HNRSQHPZQSUSPO-JOZNFPNDSA-N 2 1 408.590 3.697 20 0 HHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000540264840 1008360512 /nfs/dbraw/zinc/36/05/12/1008360512.db2.gz LWTQDPYBCXTATN-ROUUACIJSA-N 2 1 401.576 3.559 20 0 HHADMP O[C@]1(C[NH2+][C@@H]2CCc3c2cccc3Br)CC[N@H+](Cc2ccccc2)C1 ZINC000540316778 1008377227 /nfs/dbraw/zinc/37/72/27/1008377227.db2.gz RCPPEHIDTVMZIY-RTWAWAEBSA-N 2 1 401.348 3.663 20 0 HHADMP O[C@]1(C[NH2+][C@@H]2CCc3c2cccc3Br)CC[N@@H+](Cc2ccccc2)C1 ZINC000540316778 1008377231 /nfs/dbraw/zinc/37/72/31/1008377231.db2.gz RCPPEHIDTVMZIY-RTWAWAEBSA-N 2 1 401.348 3.663 20 0 HHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000518791643 1008421998 /nfs/dbraw/zinc/42/19/98/1008421998.db2.gz PGYLKRFNKGAUEC-FQEVSTJZSA-N 2 1 409.574 3.931 20 0 HHADMP C[NH+]1CCC(CCNC(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1 ZINC000518861677 1008450707 /nfs/dbraw/zinc/45/07/07/1008450707.db2.gz VAYQJIVAVIRMTM-NRFANRHFSA-N 2 1 407.002 3.726 20 0 HHADMP c1ccc(C[N@H+]2CCC[C@H](c3nc(-c4ccc(C[NH+]5CCOCC5)cc4)no3)C2)cc1 ZINC000518875300 1008455800 /nfs/dbraw/zinc/45/58/00/1008455800.db2.gz SQHPLLIILNCIIO-QHCPKHFHSA-N 2 1 418.541 3.948 20 0 HHADMP c1ccc(C[N@@H+]2CCC[C@H](c3nc(-c4ccc(C[NH+]5CCOCC5)cc4)no3)C2)cc1 ZINC000518875300 1008455804 /nfs/dbraw/zinc/45/58/04/1008455804.db2.gz SQHPLLIILNCIIO-QHCPKHFHSA-N 2 1 418.541 3.948 20 0 HHADMP Cn1cc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(-c2cccs2)n1 ZINC000540504787 1008458834 /nfs/dbraw/zinc/45/88/34/1008458834.db2.gz INNCEHACXKGHJV-UHFFFAOYSA-N 2 1 415.651 3.777 20 0 HHADMP Cn1cc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(-c2cccs2)n1 ZINC000540504787 1008458836 /nfs/dbraw/zinc/45/88/36/1008458836.db2.gz INNCEHACXKGHJV-UHFFFAOYSA-N 3 1 415.651 3.777 20 0 HHADMP Cn1cc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(-c2cccs2)n1 ZINC000540504787 1008458838 /nfs/dbraw/zinc/45/88/38/1008458838.db2.gz INNCEHACXKGHJV-UHFFFAOYSA-N 3 1 415.651 3.777 20 0 HHADMP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000519137274 1008558936 /nfs/dbraw/zinc/55/89/36/1008558936.db2.gz MCDPRVIELSHSDT-FQEVSTJZSA-N 2 1 409.574 3.584 20 0 HHADMP CC[C@@H](CC(F)(F)F)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000545493374 1008597116 /nfs/dbraw/zinc/59/71/16/1008597116.db2.gz URGGDGUAYLQWSO-KRWDZBQOSA-N 2 1 406.537 3.555 20 0 HHADMP C[N@@H+](CC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@H]1CCSC1 ZINC000549028380 1008597425 /nfs/dbraw/zinc/59/74/25/1008597425.db2.gz FJEXCQLDTRHHMY-CIIGPRGZSA-N 2 1 422.038 3.807 20 0 HHADMP C[NH+](CC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCSC1 ZINC000549028380 1008597432 /nfs/dbraw/zinc/59/74/32/1008597432.db2.gz FJEXCQLDTRHHMY-CIIGPRGZSA-N 2 1 422.038 3.807 20 0 HHADMP C[NH+](CC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCSC1 ZINC000549028380 1008597442 /nfs/dbraw/zinc/59/74/42/1008597442.db2.gz FJEXCQLDTRHHMY-CIIGPRGZSA-N 2 1 422.038 3.807 20 0 HHADMP c1ccc(C[N@@H+]2CCO[C@@H](c3nc(-c4ccccc4C[NH+]4CCCC4)no3)C2)cc1 ZINC000545530540 1008631193 /nfs/dbraw/zinc/63/11/93/1008631193.db2.gz VZAGAESIWGYSSY-JOCHJYFZSA-N 2 1 404.514 3.906 20 0 HHADMP c1ccc(C[N@H+]2CCO[C@@H](c3nc(-c4ccccc4C[NH+]4CCCC4)no3)C2)cc1 ZINC000545530540 1008631212 /nfs/dbraw/zinc/63/12/12/1008631212.db2.gz VZAGAESIWGYSSY-JOCHJYFZSA-N 2 1 404.514 3.906 20 0 HHADMP CC(C)(C)[N@H+]1CCCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC1 ZINC000549202927 1008775624 /nfs/dbraw/zinc/77/56/24/1008775624.db2.gz VLNYAJQDOOZFAQ-NRFANRHFSA-N 2 1 400.611 3.803 20 0 HHADMP CC(C)(C)[NH+]1CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000549202927 1008775633 /nfs/dbraw/zinc/77/56/33/1008775633.db2.gz VLNYAJQDOOZFAQ-NRFANRHFSA-N 2 1 400.611 3.803 20 0 HHADMP CC(C)(C)[NH+]1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000549202927 1008775643 /nfs/dbraw/zinc/77/56/43/1008775643.db2.gz VLNYAJQDOOZFAQ-NRFANRHFSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000543256515 1008825788 /nfs/dbraw/zinc/82/57/88/1008825788.db2.gz GZVFGLZANHZRDQ-SVFBPWRDSA-N 2 1 400.611 3.977 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000543256515 1008825804 /nfs/dbraw/zinc/82/58/04/1008825804.db2.gz GZVFGLZANHZRDQ-SVFBPWRDSA-N 2 1 400.611 3.977 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549259170 1008829589 /nfs/dbraw/zinc/82/95/89/1008829589.db2.gz IPINBBONQWBYBD-SFTDATJTSA-N 2 1 407.961 3.994 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549259170 1008829605 /nfs/dbraw/zinc/82/96/05/1008829605.db2.gz IPINBBONQWBYBD-SFTDATJTSA-N 2 1 407.961 3.994 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)C1 ZINC000519507270 1008879483 /nfs/dbraw/zinc/87/94/83/1008879483.db2.gz VQOFBTMUFBQGLZ-SFHVURJKSA-N 2 1 410.553 3.550 20 0 HHADMP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000543405211 1008998092 /nfs/dbraw/zinc/99/80/92/1008998092.db2.gz YMNYKFPOZSWZTL-AHWVRZQESA-N 2 1 407.602 3.523 20 0 HHADMP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000543405211 1008998102 /nfs/dbraw/zinc/99/81/02/1008998102.db2.gz YMNYKFPOZSWZTL-AHWVRZQESA-N 2 1 407.602 3.523 20 0 HHADMP Cc1cccc(C[NH+]2CCN(C(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000543417778 1009010449 /nfs/dbraw/zinc/01/04/49/1009010449.db2.gz BKZOWBOJHAUQBD-UHFFFAOYSA-N 2 1 405.586 3.942 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000543418520 1009010706 /nfs/dbraw/zinc/01/07/06/1009010706.db2.gz GVQRJQDSTJUWHN-JOCHJYFZSA-N 2 1 409.574 3.716 20 0 HHADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000519973916 1009117788 /nfs/dbraw/zinc/11/77/88/1009117788.db2.gz PGLYCALJIASJBK-UHFFFAOYSA-N 2 1 414.619 3.660 20 0 HHADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000519973916 1009117800 /nfs/dbraw/zinc/11/78/00/1009117800.db2.gz PGLYCALJIASJBK-UHFFFAOYSA-N 2 1 414.619 3.660 20 0 HHADMP CCC[N@H+](C[C@@H](O)Cc1ccc(F)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000549526968 1009137171 /nfs/dbraw/zinc/13/71/71/1009137171.db2.gz GOLHTNMISWTGMV-QFIPXVFZSA-N 2 1 400.542 3.517 20 0 HHADMP CCC[N@@H+](C[C@@H](O)Cc1ccc(F)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000549526968 1009137180 /nfs/dbraw/zinc/13/71/80/1009137180.db2.gz GOLHTNMISWTGMV-QFIPXVFZSA-N 2 1 400.542 3.517 20 0 HHADMP CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)c2ccccc21 ZINC000549529221 1009139271 /nfs/dbraw/zinc/13/92/71/1009139271.db2.gz JRMQVTYKQKBRRH-ZEQRLZLVSA-N 2 1 408.542 3.790 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000520111931 1009268435 /nfs/dbraw/zinc/26/84/35/1009268435.db2.gz MMKWHELHIVQRSA-SJBKTWHCSA-N 2 1 403.586 3.912 20 0 HHADMP CN(CCC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)c1cc[nH+]cc1 ZINC000543714587 1009316576 /nfs/dbraw/zinc/31/65/76/1009316576.db2.gz XNRKBYDKMKMYSH-QFIPXVFZSA-N 2 1 420.582 3.885 20 0 HHADMP CN(CCC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)c1cc[nH+]cc1 ZINC000543714587 1009316590 /nfs/dbraw/zinc/31/65/90/1009316590.db2.gz XNRKBYDKMKMYSH-QFIPXVFZSA-N 2 1 420.582 3.885 20 0 HHADMP Cc1ccc([C@H](CCn2cncn2)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000546307939 1009324857 /nfs/dbraw/zinc/32/48/57/1009324857.db2.gz IRIUDANIVFWNIE-BWKNWUBXSA-N 2 1 419.573 3.728 20 0 HHADMP Cc1ccc([C@H](CCn2cncn2)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000546307939 1009324873 /nfs/dbraw/zinc/32/48/73/1009324873.db2.gz IRIUDANIVFWNIE-BWKNWUBXSA-N 2 1 419.573 3.728 20 0 HHADMP C[C@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000520207937 1009342430 /nfs/dbraw/zinc/34/24/30/1009342430.db2.gz HOADTKAGINHPBK-HKUYNNGSSA-N 2 1 414.981 3.773 20 0 HHADMP Cc1nn(-c2ccccc2)cc1C[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000520207360 1009342821 /nfs/dbraw/zinc/34/28/21/1009342821.db2.gz SVMMOLLZRKXCLG-VWLOTQADSA-N 2 1 403.574 3.649 20 0 HHADMP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc(OC)c1OC ZINC000543775951 1009345234 /nfs/dbraw/zinc/34/52/34/1009345234.db2.gz SJMTUURQWDAFJF-DYESRHJHSA-N 2 1 414.546 3.520 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000543812828 1009375055 /nfs/dbraw/zinc/37/50/55/1009375055.db2.gz DELMSKZIMVDTEX-GAJHUEQPSA-N 2 1 422.504 3.571 20 0 HHADMP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000520377837 1009514159 /nfs/dbraw/zinc/51/41/59/1009514159.db2.gz RGEQXJILCXWXQU-IBGZPJMESA-N 2 1 412.553 3.610 20 0 HHADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[NH+](CCC34CC5CC(CC(C5)C3)C4)CC1)C2 ZINC000520385867 1009522822 /nfs/dbraw/zinc/52/28/22/1009522822.db2.gz DMYRZJGLJZHKEH-UQQXROCHSA-N 2 1 410.606 3.505 20 0 HHADMP CC[NH+](CC)CCCC1CCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000543948903 1009543605 /nfs/dbraw/zinc/54/36/05/1009543605.db2.gz MAVVNXOTVCTRJS-DEOSSOPVSA-N 2 1 415.622 3.638 20 0 HHADMP CC[NH+](CC)CCCC1CCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000543948903 1009543620 /nfs/dbraw/zinc/54/36/20/1009543620.db2.gz MAVVNXOTVCTRJS-DEOSSOPVSA-N 2 1 415.622 3.638 20 0 HHADMP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000543998236 1009598791 /nfs/dbraw/zinc/59/87/91/1009598791.db2.gz PDUWOMXHFMVCAC-QZTJIDSGSA-N 2 1 400.567 3.606 20 0 HHADMP CC[C@@H](C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)ccc1F)[NH+](CC)CC ZINC000546601357 1009623732 /nfs/dbraw/zinc/62/37/32/1009623732.db2.gz BQDQYHPSFHZPDU-UZLBHIALSA-N 2 1 406.546 3.698 20 0 HHADMP CC[C@@H](C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)ccc1F)[NH+](CC)CC ZINC000546601357 1009623738 /nfs/dbraw/zinc/62/37/38/1009623738.db2.gz BQDQYHPSFHZPDU-UZLBHIALSA-N 2 1 406.546 3.698 20 0 HHADMP C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC000550186157 1009761148 /nfs/dbraw/zinc/76/11/48/1009761148.db2.gz BQXBTSKRSYHFTE-HNNXBMFYSA-N 2 1 409.465 3.539 20 0 HHADMP C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC000550186157 1009761157 /nfs/dbraw/zinc/76/11/57/1009761157.db2.gz BQXBTSKRSYHFTE-HNNXBMFYSA-N 2 1 409.465 3.539 20 0 HHADMP C[NH+](C)CCOc1ccc(CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cc1 ZINC000544237772 1009849719 /nfs/dbraw/zinc/84/97/19/1009849719.db2.gz ZFAZASXMEMBCRP-OAQYLSRUSA-N 2 1 424.589 3.750 20 0 HHADMP O=C(NCCC[NH+]1CCCC1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000544254423 1009865953 /nfs/dbraw/zinc/86/59/53/1009865953.db2.gz VKSMGVMBIMSOTE-UHFFFAOYSA-N 2 1 413.393 3.743 20 0 HHADMP Fc1ccc([C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c2cccnc2)c(F)c1 ZINC000544358905 1009984457 /nfs/dbraw/zinc/98/44/57/1009984457.db2.gz FZJBQZFSNPIEAC-XMMPIXPASA-N 2 1 423.511 3.646 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@@H](C[NH+]3CCCC3)c3ccccc3)CC2)cs1 ZINC000520998783 1010037003 /nfs/dbraw/zinc/03/70/03/1010037003.db2.gz IOFLQMVFFVKRMH-QFIPXVFZSA-N 2 1 412.603 3.617 20 0 HHADMP CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544422012 1010043567 /nfs/dbraw/zinc/04/35/67/1010043567.db2.gz PRCHXTFXMGQSGV-IXDOHACOSA-N 2 1 421.607 3.803 20 0 HHADMP CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544422012 1010043586 /nfs/dbraw/zinc/04/35/86/1010043586.db2.gz PRCHXTFXMGQSGV-IXDOHACOSA-N 2 1 421.607 3.803 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C1 ZINC000521070040 1010086571 /nfs/dbraw/zinc/08/65/71/1010086571.db2.gz CNIMDXQDUFNBOW-IBGZPJMESA-N 2 1 409.018 3.925 20 0 HHADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(Cl)c(Br)c3)CC2)CC1 ZINC000544595098 1010220687 /nfs/dbraw/zinc/22/06/87/1010220687.db2.gz QBSUOFOCNNKGIM-UHFFFAOYSA-N 2 1 414.819 3.952 20 0 HHADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)CC3 ZINC000547310614 1010248498 /nfs/dbraw/zinc/24/84/98/1010248498.db2.gz XZMBMDDNBPBAMB-GAJHUEQPSA-N 2 1 424.614 3.674 20 0 HHADMP Cc1ccc(NC(=O)COc2ccc(CC[NH2+]Cc3c[nH+]ccc3N(C)C)cc2)cc1 ZINC000544700382 1010311045 /nfs/dbraw/zinc/31/10/45/1010311045.db2.gz PZLIDBGONQCWFF-UHFFFAOYSA-N 2 1 418.541 3.806 20 0 HHADMP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](c2ccc(Br)o2)c2ccc(F)cc2)CC1 ZINC000551007130 1010313513 /nfs/dbraw/zinc/31/35/13/1010313513.db2.gz LPJCNKPOBMUILX-YWZLYKJASA-N 2 1 424.358 3.886 20 0 HHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)C[C@@H]1c1ccccc1 ZINC000551009201 1010314885 /nfs/dbraw/zinc/31/48/85/1010314885.db2.gz RHRRVUQPSSDOEE-IRFCIJBXSA-N 2 1 408.464 3.870 20 0 HHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)C[C@@H]1c1ccccc1 ZINC000551009201 1010314897 /nfs/dbraw/zinc/31/48/97/1010314897.db2.gz RHRRVUQPSSDOEE-IRFCIJBXSA-N 2 1 408.464 3.870 20 0 HHADMP CC[NH+]1CCN(c2ccc(-c3noc([C@@H]4CCC[N@@H+]4Cc4ccccc4)n3)cn2)CC1 ZINC000544723957 1010331466 /nfs/dbraw/zinc/33/14/66/1010331466.db2.gz NKFJUVGIGNCKCA-NRFANRHFSA-N 2 1 418.545 3.611 20 0 HHADMP CC[NH+]1CCN(c2ccc(-c3noc([C@@H]4CCC[N@H+]4Cc4ccccc4)n3)cn2)CC1 ZINC000544723957 1010331477 /nfs/dbraw/zinc/33/14/77/1010331477.db2.gz NKFJUVGIGNCKCA-NRFANRHFSA-N 2 1 418.545 3.611 20 0 HHADMP C[C@H]([NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547828484 1010441250 /nfs/dbraw/zinc/44/12/50/1010441250.db2.gz LKSHPDJWVHURAI-OPHFCASCSA-N 2 1 411.565 3.699 20 0 HHADMP CN1c2ccccc2[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CC1=O ZINC000551263124 1010479700 /nfs/dbraw/zinc/47/97/00/1010479700.db2.gz MVBUHHKPLJGLFL-GGAORHGYSA-N 2 1 419.569 3.613 20 0 HHADMP CN1c2ccccc2[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CC1=O ZINC000551263124 1010479704 /nfs/dbraw/zinc/47/97/04/1010479704.db2.gz MVBUHHKPLJGLFL-GGAORHGYSA-N 2 1 419.569 3.613 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)CC2)cc1 ZINC000548081918 1010524248 /nfs/dbraw/zinc/52/42/48/1010524248.db2.gz RCDLYRXOIYWXQC-UHFFFAOYSA-N 2 1 407.558 3.639 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000521686017 1010549946 /nfs/dbraw/zinc/54/99/46/1010549946.db2.gz VGTSZPSLMOSVNJ-XXBNENTESA-N 2 1 412.553 3.734 20 0 HHADMP CCC[N@H+](CC)Cc1ccc(-c2nc(-c3ccc(N4CC[NH+](C)CC4)nc3)no2)cc1 ZINC000545021735 1010562509 /nfs/dbraw/zinc/56/25/09/1010562509.db2.gz TXJXKRSPSMISKD-UHFFFAOYSA-N 2 1 420.561 3.782 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(-c2nc(-c3ccc(N4CC[NH+](C)CC4)nc3)no2)cc1 ZINC000545021735 1010562520 /nfs/dbraw/zinc/56/25/20/1010562520.db2.gz TXJXKRSPSMISKD-UHFFFAOYSA-N 2 1 420.561 3.782 20 0 HHADMP CC[C@@H](C)[N@H+](C)CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000521796088 1010625236 /nfs/dbraw/zinc/62/52/36/1010625236.db2.gz KHPJJSCOYIZVRC-OAHLLOKOSA-N 2 1 415.409 3.987 20 0 HHADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000521796088 1010625243 /nfs/dbraw/zinc/62/52/43/1010625243.db2.gz KHPJJSCOYIZVRC-OAHLLOKOSA-N 2 1 415.409 3.987 20 0 HHADMP Cc1ccc(COc2ccc(C[NH2+]C3CC[NH+](CCC(=O)N(C)C)CC3)cc2)cc1 ZINC000521840151 1010652052 /nfs/dbraw/zinc/65/20/52/1010652052.db2.gz CTXLVQXVDOQNEB-UHFFFAOYSA-N 2 1 409.574 3.606 20 0 HHADMP O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000521854927 1010664111 /nfs/dbraw/zinc/66/41/11/1010664111.db2.gz UEWQVOAQFCFAID-XMMPIXPASA-N 2 1 412.622 3.995 20 0 HHADMP C[C@H]([NH2+]C1(CNC(=O)CC[N@@H+](C)C2CCCCC2)CCOCC1)c1ccccc1 ZINC000548721037 1010714374 /nfs/dbraw/zinc/71/43/74/1010714374.db2.gz UFMYUFJAONRKAK-FQEVSTJZSA-N 2 1 401.595 3.657 20 0 HHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC000545302355 1010721474 /nfs/dbraw/zinc/72/14/74/1010721474.db2.gz RFYJOPVORPWGDD-QHCPKHFHSA-N 2 1 402.627 3.905 20 0 HHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000545302355 1010721486 /nfs/dbraw/zinc/72/14/86/1010721486.db2.gz RFYJOPVORPWGDD-QHCPKHFHSA-N 2 1 402.627 3.905 20 0 HHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000545302355 1010721494 /nfs/dbraw/zinc/72/14/94/1010721494.db2.gz RFYJOPVORPWGDD-QHCPKHFHSA-N 2 1 402.627 3.905 20 0 HHADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)CC1 ZINC000548915039 1010758851 /nfs/dbraw/zinc/75/88/51/1010758851.db2.gz LDYJFHQITPAGEE-GOSISDBHSA-N 2 1 403.876 3.564 20 0 HHADMP C[N@H+](CCOc1ccccc1Cl)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000522098210 1010810766 /nfs/dbraw/zinc/81/07/66/1010810766.db2.gz UIJUHLMWRPVZPK-UHFFFAOYSA-N 2 1 415.965 3.563 20 0 HHADMP C[N@@H+](CCOc1ccccc1Cl)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000522098210 1010810771 /nfs/dbraw/zinc/81/07/71/1010810771.db2.gz UIJUHLMWRPVZPK-UHFFFAOYSA-N 2 1 415.965 3.563 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000522294050 1010911070 /nfs/dbraw/zinc/91/10/70/1010911070.db2.gz UGZNKMXSHICWPO-HSZRJFAPSA-N 2 1 400.611 3.805 20 0 HHADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000522294050 1010911074 /nfs/dbraw/zinc/91/10/74/1010911074.db2.gz UGZNKMXSHICWPO-HSZRJFAPSA-N 2 1 400.611 3.805 20 0 HHADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000522294050 1010911078 /nfs/dbraw/zinc/91/10/78/1010911078.db2.gz UGZNKMXSHICWPO-HSZRJFAPSA-N 2 1 400.611 3.805 20 0 HHADMP CC[C@@H](CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[N@H+]1CCc2ccccc2C1 ZINC000522396114 1010979221 /nfs/dbraw/zinc/97/92/21/1010979221.db2.gz OMNNWNHWQSECKT-QFIPXVFZSA-N 2 1 412.553 3.523 20 0 HHADMP C[C@@H](c1ccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1)[NH+]1CCOCC1 ZINC000522776479 1011211174 /nfs/dbraw/zinc/21/11/74/1011211174.db2.gz IBEVWLWZBPVXEV-IBGZPJMESA-N 2 1 400.567 3.562 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000522823345 1011257365 /nfs/dbraw/zinc/25/73/65/1011257365.db2.gz PUVUUGPWYYDPFJ-HXUWFJFHSA-N 2 1 400.611 3.982 20 0 HHADMP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000522865926 1011306732 /nfs/dbraw/zinc/30/67/32/1011306732.db2.gz LTVWWCXDXYQHIT-QFIPXVFZSA-N 2 1 424.614 3.524 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540717870 1011368635 /nfs/dbraw/zinc/36/86/35/1011368635.db2.gz BTSLBIKXVIIRKS-UIAACRFSSA-N 2 1 410.965 3.644 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540717870 1011368645 /nfs/dbraw/zinc/36/86/45/1011368645.db2.gz BTSLBIKXVIIRKS-UIAACRFSSA-N 2 1 410.965 3.644 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)NC[C@H]2CCC[N@H+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540717870 1011368651 /nfs/dbraw/zinc/36/86/51/1011368651.db2.gz BTSLBIKXVIIRKS-UIAACRFSSA-N 2 1 410.965 3.644 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)NC[C@H]2CCC[N@@H+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540717870 1011368662 /nfs/dbraw/zinc/36/86/62/1011368662.db2.gz BTSLBIKXVIIRKS-UIAACRFSSA-N 2 1 410.965 3.644 20 0 HHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000540921012 1011588364 /nfs/dbraw/zinc/58/83/64/1011588364.db2.gz IIZVPNVIAKHNIZ-BVSLBCMMSA-N 2 1 409.578 3.530 20 0 HHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000540921012 1011588376 /nfs/dbraw/zinc/58/83/76/1011588376.db2.gz IIZVPNVIAKHNIZ-BVSLBCMMSA-N 2 1 409.578 3.530 20 0 HHADMP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccc(Br)cc1 ZINC000540954072 1011598424 /nfs/dbraw/zinc/59/84/24/1011598424.db2.gz FZPZKMIJFCUPBW-ZDFPQIBNSA-N 2 1 415.375 3.983 20 0 HHADMP CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(C[NH+](C[C@@H]3CCCCO3)C(C)C)cc2)C1 ZINC000541032912 1011667163 /nfs/dbraw/zinc/66/71/63/1011667163.db2.gz CVBGOLKZCACYAL-GMAHTHKFSA-N 2 1 416.610 3.929 20 0 HHADMP CC[NH+]1CC[C@@H](CNC(=O)Nc2ccc(C[N@H+](C[C@@H]3CCCCO3)C(C)C)cc2)C1 ZINC000541032912 1011667166 /nfs/dbraw/zinc/66/71/66/1011667166.db2.gz CVBGOLKZCACYAL-GMAHTHKFSA-N 2 1 416.610 3.929 20 0 HHADMP CC[NH+]1CC[C@@H](CNC(=O)Nc2ccc(C[N@@H+](C[C@@H]3CCCCO3)C(C)C)cc2)C1 ZINC000541032912 1011667169 /nfs/dbraw/zinc/66/71/69/1011667169.db2.gz CVBGOLKZCACYAL-GMAHTHKFSA-N 2 1 416.610 3.929 20 0 HHADMP CC(C)[N@H+](Cc1ccc(NC(=O)NC[C@@H]2CCC[NH+](C)C2)cc1)C[C@@H]1CCCCO1 ZINC000541033232 1011667380 /nfs/dbraw/zinc/66/73/80/1011667380.db2.gz VIIDVUCEDHDRDM-GMAHTHKFSA-N 2 1 416.610 3.929 20 0 HHADMP CC(C)[NH+](Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1)C[C@@H]1CCCCO1 ZINC000541033232 1011667388 /nfs/dbraw/zinc/66/73/88/1011667388.db2.gz VIIDVUCEDHDRDM-GMAHTHKFSA-N 2 1 416.610 3.929 20 0 HHADMP CC(C)[NH+](Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1)C[C@@H]1CCCCO1 ZINC000541033232 1011667393 /nfs/dbraw/zinc/66/73/93/1011667393.db2.gz VIIDVUCEDHDRDM-GMAHTHKFSA-N 2 1 416.610 3.929 20 0 HHADMP CCCC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000523335845 1011810395 /nfs/dbraw/zinc/81/03/95/1011810395.db2.gz YWFDDFHALYEPFI-HXUWFJFHSA-N 2 1 400.611 3.982 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccsc1 ZINC000523341091 1011819571 /nfs/dbraw/zinc/81/95/71/1011819571.db2.gz YULBSYQJSVFZHA-CTNGQTDRSA-N 2 1 400.592 3.554 20 0 HHADMP CC[C@@H](C)CN(C)c1ccc(F)cc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000536711495 1011883874 /nfs/dbraw/zinc/88/38/74/1011883874.db2.gz ZYBRHPGWOIGQQC-OFNKIYASSA-N 2 1 404.618 3.908 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000536762178 1011958982 /nfs/dbraw/zinc/95/89/82/1011958982.db2.gz KOOKPSLPNLZPCH-NFBKMPQASA-N 2 1 421.589 3.650 20 0 HHADMP C[C@H]1C[C@@H](N(C)C(=O)NCC[NH+](C)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000523472955 1011982157 /nfs/dbraw/zinc/98/21/57/1011982157.db2.gz HWCHDBTWTKYHHI-URXFXBBRSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@H]1C[C@@H](N(C)C(=O)NCC[N@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000523472955 1011982162 /nfs/dbraw/zinc/98/21/62/1011982162.db2.gz HWCHDBTWTKYHHI-URXFXBBRSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@H]1C[C@@H](N(C)C(=O)NCC[N@@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000523472955 1011982172 /nfs/dbraw/zinc/98/21/72/1011982172.db2.gz HWCHDBTWTKYHHI-URXFXBBRSA-N 2 1 408.590 3.813 20 0 HHADMP CCOc1cc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc(Cl)c1O ZINC000551933467 1012027960 /nfs/dbraw/zinc/02/79/60/1012027960.db2.gz YFHIUHKYSYCOAV-QGZVFWFLSA-N 2 1 409.983 3.584 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000552057574 1012075034 /nfs/dbraw/zinc/07/50/34/1012075034.db2.gz GXFMVAMFCVTZTN-NRFANRHFSA-N 2 1 407.549 3.723 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000552057574 1012075051 /nfs/dbraw/zinc/07/50/51/1012075051.db2.gz GXFMVAMFCVTZTN-NRFANRHFSA-N 2 1 407.549 3.723 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000552057574 1012075070 /nfs/dbraw/zinc/07/50/70/1012075070.db2.gz GXFMVAMFCVTZTN-NRFANRHFSA-N 2 1 407.549 3.723 20 0 HHADMP O=S1(=O)CCc2cc(C[NH2+][C@@H]3CCCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)ccc21 ZINC000552062813 1012081674 /nfs/dbraw/zinc/08/16/74/1012081674.db2.gz HGDOXANROSYWSO-KMDXXIMOSA-N 2 1 424.610 3.797 20 0 HHADMP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)cc2)cc1 ZINC000536851942 1012082464 /nfs/dbraw/zinc/08/24/64/1012082464.db2.gz MKBJQEIIFWTGIX-JXALWOEJSA-N 2 1 409.574 3.873 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1nc2c(s1)CCCC2 ZINC000536857415 1012091788 /nfs/dbraw/zinc/09/17/88/1012091788.db2.gz LBRYAPNSJLPPMJ-QGZVFWFLSA-N 2 1 412.603 3.698 20 0 HHADMP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000552075425 1012092734 /nfs/dbraw/zinc/09/27/34/1012092734.db2.gz WUKCMHMBPUHRRQ-VXIBKDFQSA-N 2 1 415.607 3.564 20 0 HHADMP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000552075425 1012092746 /nfs/dbraw/zinc/09/27/46/1012092746.db2.gz WUKCMHMBPUHRRQ-VXIBKDFQSA-N 2 1 415.607 3.564 20 0 HHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000536860022 1012093870 /nfs/dbraw/zinc/09/38/70/1012093870.db2.gz VWUVTJQRBIDAJV-IBGZPJMESA-N 2 1 415.603 3.918 20 0 HHADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000536861540 1012095320 /nfs/dbraw/zinc/09/53/20/1012095320.db2.gz FSDJPBOEFZWFQH-XXBNENTESA-N 2 1 421.651 3.850 20 0 HHADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)C1 ZINC000536875620 1012117904 /nfs/dbraw/zinc/11/79/04/1012117904.db2.gz IMYNRZQOJLYEJN-UGKGYDQZSA-N 2 1 419.635 3.604 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000536876357 1012119095 /nfs/dbraw/zinc/11/90/95/1012119095.db2.gz KCBJKZIJPFLECQ-NPPFBWRTSA-N 2 1 407.624 3.631 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCC2(F)F)C1 ZINC000552114232 1012131507 /nfs/dbraw/zinc/13/15/07/1012131507.db2.gz BBNIOUCCWZKDST-NHCUHLMSSA-N 2 1 407.549 3.628 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000552114232 1012131520 /nfs/dbraw/zinc/13/15/20/1012131520.db2.gz BBNIOUCCWZKDST-NHCUHLMSSA-N 2 1 407.549 3.628 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000552114232 1012131526 /nfs/dbraw/zinc/13/15/26/1012131526.db2.gz BBNIOUCCWZKDST-NHCUHLMSSA-N 2 1 407.549 3.628 20 0 HHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000523598683 1012161373 /nfs/dbraw/zinc/16/13/73/1012161373.db2.gz XEHIRUWEDPVJDX-RBUKOAKNSA-N 2 1 406.640 3.770 20 0 HHADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000523598683 1012161387 /nfs/dbraw/zinc/16/13/87/1012161387.db2.gz XEHIRUWEDPVJDX-RBUKOAKNSA-N 2 1 406.640 3.770 20 0 HHADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000523598683 1012161394 /nfs/dbraw/zinc/16/13/94/1012161394.db2.gz XEHIRUWEDPVJDX-RBUKOAKNSA-N 2 1 406.640 3.770 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1 ZINC000523616082 1012189193 /nfs/dbraw/zinc/18/91/93/1012189193.db2.gz OKQKYBIYHPQMEU-IRLDBZIGSA-N 2 1 415.626 3.588 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000523616082 1012189202 /nfs/dbraw/zinc/18/92/02/1012189202.db2.gz OKQKYBIYHPQMEU-IRLDBZIGSA-N 2 1 415.626 3.588 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000523616082 1012189214 /nfs/dbraw/zinc/18/92/14/1012189214.db2.gz OKQKYBIYHPQMEU-IRLDBZIGSA-N 2 1 415.626 3.588 20 0 HHADMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3cc(Cl)cc4cccnc43)CC2)C[C@H](C)O1 ZINC000536933595 1012222795 /nfs/dbraw/zinc/22/27/95/1012222795.db2.gz FNPXNMKRIUNDJU-ROUUACIJSA-N 2 1 417.981 3.978 20 0 HHADMP Cc1ccc(OCCC[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1C ZINC000536935079 1012226859 /nfs/dbraw/zinc/22/68/59/1012226859.db2.gz MDHAJGTURZBBAC-SZPZYZBQSA-N 2 1 404.595 3.663 20 0 HHADMP Cc1ccc(OCCC[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1C ZINC000536935079 1012226879 /nfs/dbraw/zinc/22/68/79/1012226879.db2.gz MDHAJGTURZBBAC-SZPZYZBQSA-N 2 1 404.595 3.663 20 0 HHADMP COC(=O)c1csc([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000552223257 1012235857 /nfs/dbraw/zinc/23/58/57/1012235857.db2.gz KEWYEEABOKXBDF-FXAWDEMLSA-N 2 1 401.576 3.564 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000536962974 1012256260 /nfs/dbraw/zinc/25/62/60/1012256260.db2.gz LSVHUKYGOCRKRG-ZWKOTPCHSA-N 2 1 401.576 3.559 20 0 HHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000541516718 1012297522 /nfs/dbraw/zinc/29/75/22/1012297522.db2.gz WWMDOYHPPPGCJJ-TXTKFYIRSA-N 2 1 410.606 3.969 20 0 HHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000541516718 1012297534 /nfs/dbraw/zinc/29/75/34/1012297534.db2.gz WWMDOYHPPPGCJJ-TXTKFYIRSA-N 2 1 410.606 3.969 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]C[C@H]4CC[C@@H](c5nc(C6CC6)no5)O4)[C@H]3C2)cc1 ZINC000552297623 1012308604 /nfs/dbraw/zinc/30/86/04/1012308604.db2.gz CKFFARKKXPNTCO-PPGORRQASA-N 2 1 408.546 3.667 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]C[C@H]4CC[C@@H](c5nc(C6CC6)no5)O4)[C@@H]3C2)cc1 ZINC000552297622 1012309197 /nfs/dbraw/zinc/30/91/97/1012309197.db2.gz CKFFARKKXPNTCO-POHUPDAJSA-N 2 1 408.546 3.667 20 0 HHADMP COC(=O)c1ccc([C@@H](C)[N@@H+](C)C2CCN(Cc3ncc(C)c(OC)c3C)CC2)o1 ZINC000537017107 1012317877 /nfs/dbraw/zinc/31/78/77/1012317877.db2.gz JQFFCQPHEYJBCP-QGZVFWFLSA-N 2 1 415.534 3.744 20 0 HHADMP COC(=O)c1ccc([C@@H](C)[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)o1 ZINC000537017107 1012317894 /nfs/dbraw/zinc/31/78/94/1012317894.db2.gz JQFFCQPHEYJBCP-QGZVFWFLSA-N 2 1 415.534 3.744 20 0 HHADMP COC(=O)c1ccc([C@@H](C)[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)o1 ZINC000537017107 1012317912 /nfs/dbraw/zinc/31/79/12/1012317912.db2.gz JQFFCQPHEYJBCP-QGZVFWFLSA-N 2 1 415.534 3.744 20 0 HHADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000541578522 1012369664 /nfs/dbraw/zinc/36/96/64/1012369664.db2.gz RHHZWLBHSPAWBE-LEWJYISDSA-N 2 1 402.966 3.842 20 0 HHADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000541578522 1012369669 /nfs/dbraw/zinc/36/96/69/1012369669.db2.gz RHHZWLBHSPAWBE-LEWJYISDSA-N 2 1 402.966 3.842 20 0 HHADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000541578522 1012369683 /nfs/dbraw/zinc/36/96/83/1012369683.db2.gz RHHZWLBHSPAWBE-LEWJYISDSA-N 2 1 402.966 3.842 20 0 HHADMP C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599466 1012391293 /nfs/dbraw/zinc/39/12/93/1012391293.db2.gz FVAOWGDOJIQWDY-DAYGRLMNSA-N 2 1 401.378 3.976 20 0 HHADMP C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599467 1012391896 /nfs/dbraw/zinc/39/18/96/1012391896.db2.gz FVAOWGDOJIQWDY-HDMKZQKVSA-N 2 1 401.378 3.976 20 0 HHADMP C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541603025 1012400339 /nfs/dbraw/zinc/40/03/39/1012400339.db2.gz MJYMDSGTXLUURL-IAGOWNOFSA-N 2 1 422.411 3.650 20 0 HHADMP C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541603025 1012400348 /nfs/dbraw/zinc/40/03/48/1012400348.db2.gz MJYMDSGTXLUURL-IAGOWNOFSA-N 2 1 422.411 3.650 20 0 HHADMP CC(C)[C@H](C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)[NH+]1CCCCC1 ZINC000552444247 1012465697 /nfs/dbraw/zinc/46/56/97/1012465697.db2.gz YVDYRHSTIZMMGW-HSZRJFAPSA-N 2 1 424.589 3.933 20 0 HHADMP CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000537161759 1012560984 /nfs/dbraw/zinc/56/09/84/1012560984.db2.gz XNJYOXFACRSIQQ-AWEZNQCLSA-N 2 1 412.515 3.708 20 0 HHADMP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000541743325 1012599660 /nfs/dbraw/zinc/59/96/60/1012599660.db2.gz HPOQQGSJPZJKHR-PABCKOPISA-N 2 1 422.635 3.559 20 0 HHADMP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000541743325 1012599665 /nfs/dbraw/zinc/59/96/65/1012599665.db2.gz HPOQQGSJPZJKHR-PABCKOPISA-N 2 1 422.635 3.559 20 0 HHADMP COC(=O)c1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000537237859 1012676814 /nfs/dbraw/zinc/67/68/14/1012676814.db2.gz RXCIWLNRJDQEOS-UHFFFAOYSA-N 2 1 419.525 3.678 20 0 HHADMP C[NH+](C)Cc1ccc(C(N)=O)cc1NC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000541903180 1012762482 /nfs/dbraw/zinc/76/24/82/1012762482.db2.gz JDEJTBSIJHXSFJ-UHFFFAOYSA-N 2 1 418.944 3.716 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000541911309 1012769650 /nfs/dbraw/zinc/76/96/50/1012769650.db2.gz FRJSCRLVHDDLNI-HGFMEPNGSA-N 2 1 413.512 3.879 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000541911309 1012769662 /nfs/dbraw/zinc/76/96/62/1012769662.db2.gz FRJSCRLVHDDLNI-HGFMEPNGSA-N 2 1 413.512 3.879 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N(C)CCCOc2ccccc2)cc1 ZINC000541951253 1012812046 /nfs/dbraw/zinc/81/20/46/1012812046.db2.gz CQNFEVMEXVZCJT-LJQANCHMSA-N 2 1 406.530 3.759 20 0 HHADMP COc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1F ZINC000541951138 1012812842 /nfs/dbraw/zinc/81/28/42/1012812842.db2.gz BEZJAMDYZVHBSP-INIZCTEOSA-N 2 1 410.493 3.638 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000541956216 1012819747 /nfs/dbraw/zinc/81/97/47/1012819747.db2.gz WARGVCXGRCKGJP-QGZVFWFLSA-N 2 1 405.502 3.796 20 0 HHADMP CCCOc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000541956596 1012820316 /nfs/dbraw/zinc/82/03/16/1012820316.db2.gz RELGYVNQHJHDEV-GOSISDBHSA-N 2 1 406.530 3.937 20 0 HHADMP CC(C)[NH+](Cc1ccc(NC(=O)NCC[N@H+](C)C(C)C)cc1)C[C@H]1CCCCO1 ZINC000541962449 1012824885 /nfs/dbraw/zinc/82/48/85/1012824885.db2.gz MCENANLPMNFFLD-JOCHJYFZSA-N 2 1 404.599 3.928 20 0 HHADMP CC(C)[NH+](C)CCNC(=O)Nc1ccc(C[N@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000541962449 1012824913 /nfs/dbraw/zinc/82/49/13/1012824913.db2.gz MCENANLPMNFFLD-JOCHJYFZSA-N 2 1 404.599 3.928 20 0 HHADMP CC(C)[NH+](C)CCNC(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000541962449 1012824950 /nfs/dbraw/zinc/82/49/50/1012824950.db2.gz MCENANLPMNFFLD-JOCHJYFZSA-N 2 1 404.599 3.928 20 0 HHADMP CCCc1csc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000537378706 1012853909 /nfs/dbraw/zinc/85/39/09/1012853909.db2.gz WNWLAVNWXOELHL-UHFFFAOYSA-N 2 1 407.628 3.756 20 0 HHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCC[NH+](C2CCCC2)CC1 ZINC000524134853 1012920456 /nfs/dbraw/zinc/92/04/56/1012920456.db2.gz YVOAJYTXNDYSQB-IBGZPJMESA-N 2 1 404.624 3.620 20 0 HHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000524134853 1012920465 /nfs/dbraw/zinc/92/04/65/1012920465.db2.gz YVOAJYTXNDYSQB-IBGZPJMESA-N 2 1 404.624 3.620 20 0 HHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000524134853 1012920471 /nfs/dbraw/zinc/92/04/71/1012920471.db2.gz YVOAJYTXNDYSQB-IBGZPJMESA-N 2 1 404.624 3.620 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC[NH+]1Cc1ccccc1 ZINC000524139949 1012925302 /nfs/dbraw/zinc/92/53/02/1012925302.db2.gz HKMIPAQMOAPMKM-ADYITMSISA-N 2 1 400.611 3.944 20 0 HHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000524139949 1012925315 /nfs/dbraw/zinc/92/53/15/1012925315.db2.gz HKMIPAQMOAPMKM-ADYITMSISA-N 2 1 400.611 3.944 20 0 HHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000524139949 1012925332 /nfs/dbraw/zinc/92/53/32/1012925332.db2.gz HKMIPAQMOAPMKM-ADYITMSISA-N 2 1 400.611 3.944 20 0 HHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000552927726 1012926219 /nfs/dbraw/zinc/92/62/19/1012926219.db2.gz BOFTYKMJZVUKRO-INIZCTEOSA-N 2 1 409.521 3.662 20 0 HHADMP CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000524160575 1012952740 /nfs/dbraw/zinc/95/27/40/1012952740.db2.gz DGRYZYAYYOHXNT-FGTMMUONSA-N 2 1 405.608 3.557 20 0 HHADMP CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000524160575 1012952750 /nfs/dbraw/zinc/95/27/50/1012952750.db2.gz DGRYZYAYYOHXNT-FGTMMUONSA-N 2 1 405.608 3.557 20 0 HHADMP [NH3+][C@H](Cc1ccc2ccccc2n1)c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001212006022 1071892632 /nfs/dbraw/zinc/89/26/32/1071892632.db2.gz VQYKGGAAUYBMRQ-WLEBTQASSA-N 2 1 412.497 3.989 20 0 HHADMP COc1ccc2c(c1)C[C@H]([NH+]1CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC1)C2 ZINC001168272050 1072058620 /nfs/dbraw/zinc/05/86/20/1072058620.db2.gz KBHSHFOUPLSSLC-DNQXCXABSA-N 2 1 406.570 3.918 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCCOc1ccc(Br)cc1 ZINC001168285025 1072424412 /nfs/dbraw/zinc/42/44/12/1072424412.db2.gz QIQGEMHIBVZHOK-HOJAQTOUSA-N 2 1 411.384 3.792 20 0 HHADMP C[NH+](C)C1CCC([N@@H+]2CCc3c(nnn3CC3CC3)[C@@H]2COCc2ccccc2)CC1 ZINC001168322772 1072503292 /nfs/dbraw/zinc/50/32/92/1072503292.db2.gz HRKSDHQXANTZLJ-IWAAJCSBSA-N 2 1 423.605 3.677 20 0 HHADMP C[NH+](C)C1CCC([N@H+]2CCc3c(nnn3CC3CC3)[C@@H]2COCc2ccccc2)CC1 ZINC001168322772 1072503298 /nfs/dbraw/zinc/50/32/98/1072503298.db2.gz HRKSDHQXANTZLJ-IWAAJCSBSA-N 2 1 423.605 3.677 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000586941426 1072504320 /nfs/dbraw/zinc/50/43/20/1072504320.db2.gz GHVOQJVYPBCSFE-XZOQPEGZSA-N 2 1 424.589 3.936 20 0 HHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CCN(C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168377857 1072530052 /nfs/dbraw/zinc/53/00/52/1072530052.db2.gz LXTOYSZWUDVWGG-NRFANRHFSA-N 2 1 403.636 3.678 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000571341897 1072607005 /nfs/dbraw/zinc/60/70/05/1072607005.db2.gz KNUPEXPFHMRTPL-ZEQRLZLVSA-N 2 1 418.585 3.587 20 0 HHADMP Cc1cccc(COC[C@]23CCCO[C@@H]2CC[N@H+](C2CC[NH+](CC4CC4)CC2)C3)n1 ZINC001168380465 1072707526 /nfs/dbraw/zinc/70/75/26/1072707526.db2.gz SWBAGZPKPCDILD-JWQCQUIFSA-N 2 1 413.606 3.652 20 0 HHADMP COc1cc2c(cc1F)nccc2NCc1cccc(OCCN2CCOCC2)c1 ZINC000479388322 1072801538 /nfs/dbraw/zinc/80/15/38/1072801538.db2.gz SNIDJFAWCFOWSA-UHFFFAOYSA-N 2 1 411.477 3.706 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000479417589 1072815529 /nfs/dbraw/zinc/81/55/29/1072815529.db2.gz JFKWUVHBYUOHAG-FQEVSTJZSA-N 2 1 400.611 3.934 20 0 HHADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000554884431 1072936312 /nfs/dbraw/zinc/93/63/12/1072936312.db2.gz OEUWZTQHQZZAER-UHFFFAOYSA-N 2 1 423.424 3.642 20 0 HHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cc(Cl)c4c(c3)OCCCO4)CC2)C[C@H](C)O1 ZINC000588708622 1073154559 /nfs/dbraw/zinc/15/45/59/1073154559.db2.gz AOENXWOXKSBPJP-CALCHBBNSA-N 2 1 408.970 3.823 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cc(Cl)c4c(c3)OCCCO4)CC2)C[C@H](C)O1 ZINC000588708622 1073154563 /nfs/dbraw/zinc/15/45/63/1073154563.db2.gz AOENXWOXKSBPJP-CALCHBBNSA-N 2 1 408.970 3.823 20 0 HHADMP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588708672 1073154880 /nfs/dbraw/zinc/15/48/80/1073154880.db2.gz BSDCJFFMDUQVER-ZCNNSNEGSA-N 2 1 401.595 3.958 20 0 HHADMP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588708672 1073154899 /nfs/dbraw/zinc/15/48/99/1073154899.db2.gz BSDCJFFMDUQVER-ZCNNSNEGSA-N 2 1 401.595 3.958 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cccc(C(=O)N4CCCCC4)c3)CC2)C[C@H](C)O1 ZINC000588709930 1073155427 /nfs/dbraw/zinc/15/54/27/1073155427.db2.gz GHZBVHQYORPUTR-OYRHEFFESA-N 2 1 413.606 3.634 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+]([C@H](C(=O)N3CCCCC3)c3ccccc3)CC2)C[C@H](C)O1 ZINC000588709508 1073155934 /nfs/dbraw/zinc/15/59/34/1073155934.db2.gz CBUFWLLZRMZQKJ-IMSXRSKXSA-N 2 1 413.606 3.561 20 0 HHADMP C[C@@H](NC(=O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccc2ccccc2c1 ZINC000588711361 1073156002 /nfs/dbraw/zinc/15/60/02/1073156002.db2.gz ZOCARQRNPHLJRL-NJDAHSKKSA-N 2 1 423.601 3.838 20 0 HHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nc(-c4ccc(Cl)cc4)no3)CC2)C[C@@H](C)O1 ZINC000588711207 1073156429 /nfs/dbraw/zinc/15/64/29/1073156429.db2.gz MVQCAJYZMNNSFD-HZPDHXFCSA-N 2 1 404.942 3.711 20 0 HHADMP CCc1cccc(CC)c1NC(=O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000588710774 1073156614 /nfs/dbraw/zinc/15/66/14/1073156614.db2.gz VVAMJKPWEJGICN-OALUTQOASA-N 2 1 401.595 3.571 20 0 HHADMP CCc1cccc(CC)c1NC(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588710770 1073156673 /nfs/dbraw/zinc/15/66/73/1073156673.db2.gz VVAMJKPWEJGICN-KDURUIRLSA-N 2 1 401.595 3.571 20 0 HHADMP CCc1cccc(CC)c1NC(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588710770 1073156678 /nfs/dbraw/zinc/15/66/78/1073156678.db2.gz VVAMJKPWEJGICN-KDURUIRLSA-N 2 1 401.595 3.571 20 0 HHADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588710632 1073157117 /nfs/dbraw/zinc/15/71/17/1073157117.db2.gz KKVVEIRTLVANLV-BHIFYINESA-N 2 1 415.622 3.633 20 0 HHADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc21 ZINC000555169106 1073214006 /nfs/dbraw/zinc/21/40/06/1073214006.db2.gz AXLBWGLNZURNHQ-DNQXCXABSA-N 2 1 408.542 3.790 20 0 HHADMP C[NH+](C)C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000555186287 1073249004 /nfs/dbraw/zinc/24/90/04/1073249004.db2.gz QYIZFSGIWNGPDL-PCCBWWKXSA-N 2 1 400.954 3.687 20 0 HHADMP C[NH+]1CCC(C)(CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000555211455 1073265130 /nfs/dbraw/zinc/26/51/30/1073265130.db2.gz NJFZHOMFLOIWFF-BJKOFHAPSA-N 2 1 420.601 3.686 20 0 HHADMP O[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000572452360 1073291382 /nfs/dbraw/zinc/29/13/82/1073291382.db2.gz JCUQOVRNHFYGSU-IRLDBZIGSA-N 2 1 402.966 3.972 20 0 HHADMP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H](c3ccccc3)N3CC[NH+](C)CC3)cc2)C1 ZINC000589997024 1073437808 /nfs/dbraw/zinc/43/78/08/1073437808.db2.gz ZLRRVUQNIFTOPT-SQJMNOBHSA-N 2 1 420.601 3.846 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H](c3ccccc3)N3CC[NH+](C)CC3)cc2)C1 ZINC000589997024 1073437810 /nfs/dbraw/zinc/43/78/10/1073437810.db2.gz ZLRRVUQNIFTOPT-SQJMNOBHSA-N 2 1 420.601 3.846 20 0 HHADMP O=C(c1ccccc1)N1CC[C@@H](C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000555523940 1073596918 /nfs/dbraw/zinc/59/69/18/1073596918.db2.gz AHQGKAPJMZDXMZ-OZXSUGGESA-N 2 1 403.570 3.747 20 0 HHADMP O=C(c1ccccc1)N1CC[C@@H](C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000555523940 1073596930 /nfs/dbraw/zinc/59/69/30/1073596930.db2.gz AHQGKAPJMZDXMZ-OZXSUGGESA-N 2 1 403.570 3.747 20 0 HHADMP O=C(c1ccccc1)N1CC[C@@H](C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000555523940 1073596940 /nfs/dbraw/zinc/59/69/40/1073596940.db2.gz AHQGKAPJMZDXMZ-OZXSUGGESA-N 2 1 403.570 3.747 20 0 HHADMP CC[C@H](C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[N@H+](C)Cc1ccccc1 ZINC000555545891 1073616798 /nfs/dbraw/zinc/61/67/98/1073616798.db2.gz HXIBMYZZNOLETE-HSZRJFAPSA-N 2 1 415.528 3.956 20 0 HHADMP CC[C@H](C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000555545891 1073616804 /nfs/dbraw/zinc/61/68/04/1073616804.db2.gz HXIBMYZZNOLETE-HSZRJFAPSA-N 2 1 415.528 3.956 20 0 HHADMP Cc1ccccc1[C@H](OC[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000555597340 1073662011 /nfs/dbraw/zinc/66/20/11/1073662011.db2.gz FHNSVRDOGMZNPS-SKBVVQJISA-N 2 1 408.586 3.880 20 0 HHADMP Cc1ccccc1[C@H](OC[C@@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000555597340 1073662016 /nfs/dbraw/zinc/66/20/16/1073662016.db2.gz FHNSVRDOGMZNPS-SKBVVQJISA-N 2 1 408.586 3.880 20 0 HHADMP Cc1ccccc1[C@H](OC[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000555597340 1073662023 /nfs/dbraw/zinc/66/20/23/1073662023.db2.gz FHNSVRDOGMZNPS-SKBVVQJISA-N 2 1 408.586 3.880 20 0 HHADMP Cc1cc(NC(=O)c2ccc3c[nH+]cn3c2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000555886252 1073927606 /nfs/dbraw/zinc/92/76/06/1073927606.db2.gz HISSAGCGERVIIZ-OAQYLSRUSA-N 2 1 400.486 3.539 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000591092153 1074107747 /nfs/dbraw/zinc/10/77/47/1074107747.db2.gz HMXSHCSLIGSPKC-REWPJTCUSA-N 2 1 409.574 3.973 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000591422291 1074283826 /nfs/dbraw/zinc/28/38/26/1074283826.db2.gz UODQHGHAGRNFAI-FQEVSTJZSA-N 2 1 409.574 3.931 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000591422295 1074283892 /nfs/dbraw/zinc/28/38/92/1074283892.db2.gz UODQHGHAGRNFAI-HXUWFJFHSA-N 2 1 409.574 3.931 20 0 HHADMP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000591427859 1074286622 /nfs/dbraw/zinc/28/66/22/1074286622.db2.gz LXHIULUQWGUPIF-NRFANRHFSA-N 2 1 421.585 3.728 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000591427859 1074286627 /nfs/dbraw/zinc/28/66/27/1074286627.db2.gz LXHIULUQWGUPIF-NRFANRHFSA-N 2 1 421.585 3.728 20 0 HHADMP C[C@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000591427859 1074286630 /nfs/dbraw/zinc/28/66/30/1074286630.db2.gz LXHIULUQWGUPIF-NRFANRHFSA-N 2 1 421.585 3.728 20 0 HHADMP C[C@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000591427859 1074286634 /nfs/dbraw/zinc/28/66/34/1074286634.db2.gz LXHIULUQWGUPIF-NRFANRHFSA-N 2 1 421.585 3.728 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000591558135 1074406447 /nfs/dbraw/zinc/40/64/47/1074406447.db2.gz FCSPTOFWGOBEAF-ZFGGDYGUSA-N 2 1 412.622 3.934 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cccc3c2OCCCO3)CC1 ZINC000591711239 1074500446 /nfs/dbraw/zinc/50/04/46/1074500446.db2.gz UGBGFPFFXBMTCW-GOSISDBHSA-N 2 1 413.537 3.980 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000574101982 1075167326 /nfs/dbraw/zinc/16/73/26/1075167326.db2.gz RWKHMKCEABRFFP-HDDJIDQQSA-N 2 1 408.586 3.942 20 0 HHADMP CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)[NH+](C)C)cc1 ZINC000575208286 1075485797 /nfs/dbraw/zinc/48/57/97/1075485797.db2.gz CYKGSOYNRPGLOH-HSZRJFAPSA-N 2 1 418.626 3.838 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCC2([NH+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000595792726 1075510425 /nfs/dbraw/zinc/51/04/25/1075510425.db2.gz CYBMPBHLJHBVID-OAQYLSRUSA-N 2 1 422.658 3.611 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000595792726 1075510429 /nfs/dbraw/zinc/51/04/29/1075510429.db2.gz CYBMPBHLJHBVID-OAQYLSRUSA-N 2 1 422.658 3.611 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000595792726 1075510433 /nfs/dbraw/zinc/51/04/33/1075510433.db2.gz CYBMPBHLJHBVID-OAQYLSRUSA-N 2 1 422.658 3.611 20 0 HHADMP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[N@H+](C)C1CC1 ZINC000596432290 1075560748 /nfs/dbraw/zinc/56/07/48/1075560748.db2.gz LCEBLKJFXJRDBM-AWEZNQCLSA-N 2 1 413.393 3.740 20 0 HHADMP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[N@@H+](C)C1CC1 ZINC000596432290 1075560753 /nfs/dbraw/zinc/56/07/53/1075560753.db2.gz LCEBLKJFXJRDBM-AWEZNQCLSA-N 2 1 413.393 3.740 20 0 HHADMP C[C@H](CNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000601338778 1075605793 /nfs/dbraw/zinc/60/57/93/1075605793.db2.gz LJVOQMIHLMFGGY-OAQYLSRUSA-N 2 1 400.611 3.805 20 0 HHADMP [NH3+][C@]12C[C@H]1CN(c1nc(C[NH+]3CCCCC3)nc3scc(-c4ccccc4)c31)C2 ZINC001164416209 718888083 /nfs/dbraw/zinc/88/80/83/718888083.db2.gz CBSYEUITDUKDHM-SBUREZEXSA-N 2 1 405.571 3.882 20 0 HHADMP Cc1nc2c(n1-c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)CC[NH2+]CC2 ZINC001164427786 718949810 /nfs/dbraw/zinc/94/98/10/718949810.db2.gz GENVPQJUYMNCFJ-UHFFFAOYSA-N 2 1 418.570 3.602 20 0 HHADMP Clc1cc(C2CC[NH2+]CC2)nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164628646 719068780 /nfs/dbraw/zinc/06/87/80/719068780.db2.gz TUADCYWLTBTMCB-PZJWPPBQSA-N 2 1 411.981 3.698 20 0 HHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164877602 721179460 /nfs/dbraw/zinc/17/94/60/721179460.db2.gz OYLSTQXREXUXCO-RBZQAINGSA-N 2 1 421.589 3.503 20 0 HHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164877602 721179463 /nfs/dbraw/zinc/17/94/63/721179463.db2.gz OYLSTQXREXUXCO-RBZQAINGSA-N 2 1 421.589 3.503 20 0 HHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164877602 721179468 /nfs/dbraw/zinc/17/94/68/721179468.db2.gz OYLSTQXREXUXCO-RBZQAINGSA-N 2 1 421.589 3.503 20 0 HHADMP C[N@H+](CCC[NH2+]Cc1cc(Br)c2c(c1)OCCO2)Cc1ccccc1 ZINC000301136099 970765876 /nfs/dbraw/zinc/76/58/76/970765876.db2.gz OKYAEPMSWOGZGZ-UHFFFAOYSA-N 2 1 405.336 3.832 20 0 HHADMP C[N@@H+](CCC[NH2+]Cc1cc(Br)c2c(c1)OCCO2)Cc1ccccc1 ZINC000301136099 970765881 /nfs/dbraw/zinc/76/58/81/970765881.db2.gz OKYAEPMSWOGZGZ-UHFFFAOYSA-N 2 1 405.336 3.832 20 0 HHADMP Cc1cc(NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c2cc(F)ccc2[nH+]1 ZINC000301659389 971017567 /nfs/dbraw/zinc/01/75/67/971017567.db2.gz IULRLBWOYGHWFB-LJQANCHMSA-N 2 1 406.505 3.992 20 0 HHADMP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000303004808 971448662 /nfs/dbraw/zinc/44/86/62/971448662.db2.gz PACNOAWVSDCBES-NRFANRHFSA-N 2 1 415.528 3.767 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1cccc(F)c1 ZINC000303050877 971477056 /nfs/dbraw/zinc/47/70/56/971477056.db2.gz VCVIKNKCVUJJIM-UGKGYDQZSA-N 2 1 401.501 3.596 20 0 HHADMP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000303078958 971492135 /nfs/dbraw/zinc/49/21/35/971492135.db2.gz SURYOJTUOKFRSE-LADGPHEKSA-N 2 1 409.549 3.991 20 0 HHADMP C[NH+](C)[C@H]1CCCN(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)C1 ZINC000303238768 971574723 /nfs/dbraw/zinc/57/47/23/971574723.db2.gz ICMXIOOWSSBVSR-LEWJYISDSA-N 2 1 412.603 3.583 20 0 HHADMP C[NH+](C)[C@H]1CCCN(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)C1 ZINC000303238768 971574733 /nfs/dbraw/zinc/57/47/33/971574733.db2.gz ICMXIOOWSSBVSR-LEWJYISDSA-N 2 1 412.603 3.583 20 0 HHADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000542159444 1013094693 /nfs/dbraw/zinc/09/46/93/1013094693.db2.gz VFZZCZNDPWJHDU-MRXNPFEDSA-N 2 1 411.974 3.545 20 0 HHADMP C[C@@H]1CCC[C@@](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)([NH+](C)C)C1 ZINC000303488655 971787351 /nfs/dbraw/zinc/78/73/51/971787351.db2.gz RRGFFINKCYLYRC-LLOANPOHSA-N 2 1 412.622 3.992 20 0 HHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000303494114 971792012 /nfs/dbraw/zinc/79/20/12/971792012.db2.gz SVILFTRQSVYGTE-AAFVWOFXSA-N 2 1 412.622 3.848 20 0 HHADMP COc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000303520127 971821439 /nfs/dbraw/zinc/82/14/39/971821439.db2.gz YVVZSEKSURFMEE-YKSBVNFPSA-N 2 1 424.589 3.652 20 0 HHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000303597136 971888969 /nfs/dbraw/zinc/88/89/69/971888969.db2.gz WPHZQKUAZUFIRW-UHFFFAOYSA-N 2 1 401.473 3.968 20 0 HHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000303597136 971888974 /nfs/dbraw/zinc/88/89/74/971888974.db2.gz WPHZQKUAZUFIRW-UHFFFAOYSA-N 2 1 401.473 3.968 20 0 HHADMP C[C@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000303705341 971971490 /nfs/dbraw/zinc/97/14/90/971971490.db2.gz XYTUTLLZSSHYHS-RTWAWAEBSA-N 2 1 420.601 3.958 20 0 HHADMP C[C@H](CNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000303705340 971971550 /nfs/dbraw/zinc/97/15/50/971971550.db2.gz XYTUTLLZSSHYHS-NHCUHLMSSA-N 2 1 420.601 3.958 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2OCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000303765694 972015193 /nfs/dbraw/zinc/01/51/93/972015193.db2.gz PNYRESSIYWBKCS-IFMALSPDSA-N 2 1 409.574 3.752 20 0 HHADMP COC(=O)CCn1nc(C)c(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1C ZINC000537621887 1013169007 /nfs/dbraw/zinc/16/90/07/1013169007.db2.gz GXFJZWOHJJZJEI-SFHVURJKSA-N 2 1 404.599 3.540 20 0 HHADMP COc1cc2c(c(C[N@@H+](C)CCC3CC[NH+](C4CCN(C)CC4)CC3)c1)O[C@H](C)C2 ZINC000537622286 1013169509 /nfs/dbraw/zinc/16/95/09/1013169509.db2.gz UVBAUHAVYBPALI-LJQANCHMSA-N 2 1 415.622 3.647 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC000537631295 1013185503 /nfs/dbraw/zinc/18/55/03/1013185503.db2.gz JYLXTZYWRXSBCD-NRFANRHFSA-N 2 1 414.638 3.593 20 0 HHADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H]3CCCc4ccc(Br)cc43)C2)CC1 ZINC000537678314 1013237017 /nfs/dbraw/zinc/23/70/17/1013237017.db2.gz UAGVFPRXQFLADM-PZJWPPBQSA-N 2 1 406.412 3.927 20 0 HHADMP Cc1ccc([C@H]2CC[N@H+]([C@@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000542316191 1013273014 /nfs/dbraw/zinc/27/30/14/1013273014.db2.gz PXOVGQLMDAAJSR-URXFXBBRSA-N 2 1 405.586 3.954 20 0 HHADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542325277 1013279796 /nfs/dbraw/zinc/27/97/96/1013279796.db2.gz NJHULBQBGZAIQD-HDAAZOAOSA-N 2 1 400.611 3.976 20 0 HHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542325277 1013279803 /nfs/dbraw/zinc/27/98/03/1013279803.db2.gz NJHULBQBGZAIQD-HDAAZOAOSA-N 2 1 400.611 3.976 20 0 HHADMP COCCc1nc(C)c([C@@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)s1 ZINC000537768222 1013330814 /nfs/dbraw/zinc/33/08/14/1013330814.db2.gz UHKNMIZPRYOBKG-OAHLLOKOSA-N 2 1 406.596 3.808 20 0 HHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537774316 1013337067 /nfs/dbraw/zinc/33/70/67/1013337067.db2.gz LVKCXFPVFJIIMT-HBMCJLEFSA-N 2 1 415.626 3.696 20 0 HHADMP CCC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000542467168 1013415533 /nfs/dbraw/zinc/41/55/33/1013415533.db2.gz QBWVOIYJUCYAPV-UHFFFAOYSA-N 2 1 419.577 3.864 20 0 HHADMP CCC[C@@H]1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000553555725 1013453210 /nfs/dbraw/zinc/45/32/10/1013453210.db2.gz AVTWULYFWLKBQE-PKTZIBPZSA-N 2 1 415.647 3.717 20 0 HHADMP CC(C)(C)c1ccc(C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)cc1 ZINC000048778074 964057904 /nfs/dbraw/zinc/05/79/04/964057904.db2.gz XMUUOILTKRFTPU-UHFFFAOYSA-N 2 1 409.574 3.935 20 0 HHADMP C[C@H]([NH2+]CC(=O)N[C@H](c1nccs1)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529800 1013472195 /nfs/dbraw/zinc/47/21/95/1013472195.db2.gz TXXHSINZVJMEKL-KPLVRAHFSA-N 2 1 412.603 3.591 20 0 HHADMP C[C@H]([NH2+]CC(=O)N[C@H](c1nccs1)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529800 1013472202 /nfs/dbraw/zinc/47/22/02/1013472202.db2.gz TXXHSINZVJMEKL-KPLVRAHFSA-N 2 1 412.603 3.591 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)c1 ZINC000050136908 964274118 /nfs/dbraw/zinc/27/41/18/964274118.db2.gz YHNSRIQOVQAOKD-OAQYLSRUSA-N 2 1 414.619 3.911 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000050136908 964274128 /nfs/dbraw/zinc/27/41/28/964274128.db2.gz YHNSRIQOVQAOKD-OAQYLSRUSA-N 2 1 414.619 3.911 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000050136908 964274136 /nfs/dbraw/zinc/27/41/36/964274136.db2.gz YHNSRIQOVQAOKD-OAQYLSRUSA-N 2 1 414.619 3.911 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)CC1 ZINC000050136929 964274207 /nfs/dbraw/zinc/27/42/07/964274207.db2.gz QKGMIJAJZWMPHS-FQEVSTJZSA-N 2 1 406.640 3.722 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000050136929 964274215 /nfs/dbraw/zinc/27/42/15/964274215.db2.gz QKGMIJAJZWMPHS-FQEVSTJZSA-N 2 1 406.640 3.722 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000050136929 964274226 /nfs/dbraw/zinc/27/42/26/964274226.db2.gz QKGMIJAJZWMPHS-FQEVSTJZSA-N 2 1 406.640 3.722 20 0 HHADMP COc1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)ccc1OCC(=O)N(C)C ZINC000537917170 1013502096 /nfs/dbraw/zinc/50/20/96/1013502096.db2.gz KHXHWLFHGDSILR-QGZVFWFLSA-N 2 1 422.529 3.507 20 0 HHADMP CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000542593964 1013533421 /nfs/dbraw/zinc/53/34/21/1013533421.db2.gz YZPVISLFKJLGAT-NHCUHLMSSA-N 2 1 414.638 3.877 20 0 HHADMP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000052713788 964960567 /nfs/dbraw/zinc/96/05/67/964960567.db2.gz FKMRCPKXWAUBOP-SFHVURJKSA-N 2 1 400.567 3.560 20 0 HHADMP C[C@H](NC(=O)N(C)CCC[N@@H+](C)Cc1ccco1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000553681503 1013543059 /nfs/dbraw/zinc/54/30/59/1013543059.db2.gz PAOLFIPELXHLLD-RBBKRZOGSA-N 2 1 412.578 3.654 20 0 HHADMP C[C@H](NC(=O)N(C)CCC[NH+](C)Cc1ccco1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553681503 1013543063 /nfs/dbraw/zinc/54/30/63/1013543063.db2.gz PAOLFIPELXHLLD-RBBKRZOGSA-N 2 1 412.578 3.654 20 0 HHADMP C[C@H](NC(=O)N(C)CCC[NH+](C)Cc1ccco1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553681503 1013543069 /nfs/dbraw/zinc/54/30/69/1013543069.db2.gz PAOLFIPELXHLLD-RBBKRZOGSA-N 2 1 412.578 3.654 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cn1 ZINC000057128584 965303051 /nfs/dbraw/zinc/30/30/51/965303051.db2.gz KEFKHBMNOQUIJB-UHFFFAOYSA-N 2 1 410.566 3.564 20 0 HHADMP C[N@H+]1CCCN(c2ccc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000057174596 965326504 /nfs/dbraw/zinc/32/65/04/965326504.db2.gz HYDYRDNOPSZALX-UHFFFAOYSA-N 2 1 406.574 3.679 20 0 HHADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000537987719 1013562526 /nfs/dbraw/zinc/56/25/26/1013562526.db2.gz RYQJBZAQWHILTH-DBXWQHBBSA-N 2 1 407.624 3.631 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@@H](C)[N@H+]3CCCC[C@H]3C)c(C)c2)CC1 ZINC000058533614 965772408 /nfs/dbraw/zinc/77/24/08/965772408.db2.gz IXWMNEPHKNVPJP-WOJBJXKFSA-N 2 1 401.599 3.521 20 0 HHADMP COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+]CC3=CC[N@@H+](C)CC3)s2)cc1OC ZINC000553787035 1013614464 /nfs/dbraw/zinc/61/44/64/1013614464.db2.gz IRBQTSLBDNEAJA-OAHLLOKOSA-N 2 1 401.576 3.972 20 0 HHADMP CC(=O)c1c(C)cc(C)c(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000538044298 1013617001 /nfs/dbraw/zinc/61/70/01/1013617001.db2.gz FEWMOSOUMJJCOY-BGYRXZFFSA-N 2 1 416.606 3.905 20 0 HHADMP CC(=O)c1c(C)cc(C)c(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000538044298 1013617003 /nfs/dbraw/zinc/61/70/03/1013617003.db2.gz FEWMOSOUMJJCOY-BGYRXZFFSA-N 2 1 416.606 3.905 20 0 HHADMP CC[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000031664308 966079460 /nfs/dbraw/zinc/07/94/60/966079460.db2.gz BZINXQLPVLLLCP-RUZDIDTESA-N 2 1 420.601 3.787 20 0 HHADMP CC(C)[C@@H](CNC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)[NH+]1CCC(C)CC1 ZINC000031900567 966150382 /nfs/dbraw/zinc/15/03/82/966150382.db2.gz MDLZWDPOWHQNDE-AWRGLXIESA-N 2 1 415.622 3.782 20 0 HHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000060581668 966215787 /nfs/dbraw/zinc/21/57/87/966215787.db2.gz YPQHMNBXDYXFID-VWLOTQADSA-N 2 1 405.586 3.942 20 0 HHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000060581668 966215794 /nfs/dbraw/zinc/21/57/94/966215794.db2.gz YPQHMNBXDYXFID-VWLOTQADSA-N 2 1 405.586 3.942 20 0 HHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000060581668 966215797 /nfs/dbraw/zinc/21/57/97/966215797.db2.gz YPQHMNBXDYXFID-VWLOTQADSA-N 2 1 405.586 3.942 20 0 HHADMP CC(C)[N@H+](Cc1ccc(NC(=O)N(C)CCC[NH+](C)C)cc1)C[C@H]1CCCCO1 ZINC000542732605 1013644687 /nfs/dbraw/zinc/64/46/87/1013644687.db2.gz CZVSGMOIXBTZNC-JOCHJYFZSA-N 2 1 404.599 3.882 20 0 HHADMP COc1c(Br)cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1Br ZINC000037409507 966474637 /nfs/dbraw/zinc/47/46/37/966474637.db2.gz MKSGMRRCEOXPST-NSHDSACASA-N 2 1 418.173 3.794 20 0 HHADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)c(OC)c(Br)c2)C1 ZINC000037644500 966476482 /nfs/dbraw/zinc/47/64/82/966476482.db2.gz SIKWTOSXXHGGRQ-NSHDSACASA-N 2 1 406.162 3.652 20 0 HHADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)c(OC)c(Br)c2)C1 ZINC000037644500 966476489 /nfs/dbraw/zinc/47/64/89/966476489.db2.gz SIKWTOSXXHGGRQ-NSHDSACASA-N 2 1 406.162 3.652 20 0 HHADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)cc(Br)c2OC)C1 ZINC000037644447 966476887 /nfs/dbraw/zinc/47/68/87/966476887.db2.gz MVBXGDODKFINKV-LLVKDONJSA-N 2 1 406.162 3.652 20 0 HHADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)cc(Br)c2OC)C1 ZINC000037644447 966476892 /nfs/dbraw/zinc/47/68/92/966476892.db2.gz MVBXGDODKFINKV-LLVKDONJSA-N 2 1 406.162 3.652 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000056846252 966490572 /nfs/dbraw/zinc/49/05/72/966490572.db2.gz ZITIENQTILXLOC-FQEVSTJZSA-N 2 1 400.611 3.792 20 0 HHADMP COc1ccc([C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C(C)C)cc1 ZINC000538100479 1013669577 /nfs/dbraw/zinc/66/95/77/1013669577.db2.gz FQFYYDCYQOXPQB-UPVQGACJSA-N 2 1 409.574 3.879 20 0 HHADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000063331975 966823065 /nfs/dbraw/zinc/82/30/65/966823065.db2.gz RAORMPGDOXQGQC-UHFFFAOYSA-N 2 1 416.585 3.698 20 0 HHADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000063331975 966823068 /nfs/dbraw/zinc/82/30/68/966823068.db2.gz RAORMPGDOXQGQC-UHFFFAOYSA-N 2 1 416.585 3.698 20 0 HHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000063464037 966866566 /nfs/dbraw/zinc/86/65/66/966866566.db2.gz LBYDRHIQDGTUQO-RPBOFIJWSA-N 2 1 420.601 3.862 20 0 HHADMP O=C(NC[C@H]1CCC[NH+](Cc2ccccc2)C1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063464037 966866575 /nfs/dbraw/zinc/86/65/75/966866575.db2.gz LBYDRHIQDGTUQO-RPBOFIJWSA-N 2 1 420.601 3.862 20 0 HHADMP O=C(NC[C@H]1CCC[NH+](Cc2ccccc2)C1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000063464037 966866579 /nfs/dbraw/zinc/86/65/79/966866579.db2.gz LBYDRHIQDGTUQO-RPBOFIJWSA-N 2 1 420.601 3.862 20 0 HHADMP O=C(NCCCCC[NH+]1CCCCC1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553895439 1013683158 /nfs/dbraw/zinc/68/31/58/1013683158.db2.gz KIASNDDOLLNPLD-RUZDIDTESA-N 2 1 412.622 3.950 20 0 HHADMP COCC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000542834366 1013697395 /nfs/dbraw/zinc/69/73/95/1013697395.db2.gz BPQFFUHROYSLBN-QPTUXGOLSA-N 2 1 407.558 3.662 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c1 ZINC000064229353 967094820 /nfs/dbraw/zinc/09/48/20/967094820.db2.gz NLRMIBZJXIXEJZ-UHFFFAOYSA-N 2 1 418.532 3.690 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000064644258 967257481 /nfs/dbraw/zinc/25/74/81/967257481.db2.gz ONOOXGWTPMJDFK-UWJYYQICSA-N 2 1 418.582 3.701 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000065029072 967352083 /nfs/dbraw/zinc/35/20/83/967352083.db2.gz KQWAEZXJAJBJOB-HYBUGGRVSA-N 2 1 406.574 3.786 20 0 HHADMP CC1CC[NH+](Cc2ccc(NC(=O)c3ccc(C[NH+]4CCN(C)CC4)cc3)cc2)CC1 ZINC000065062221 967360418 /nfs/dbraw/zinc/36/04/18/967360418.db2.gz CSZYXEVDXBIUKA-UHFFFAOYSA-N 2 1 420.601 3.918 20 0 HHADMP COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000538167275 1013727623 /nfs/dbraw/zinc/72/76/23/1013727623.db2.gz BIADSYMNYYTWES-MSOLQXFVSA-N 2 1 413.537 3.654 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)NCCCC[N@H+]3CCCC[C@H]3C)c(C)c2)CC1 ZINC000045976239 967614179 /nfs/dbraw/zinc/61/41/79/967614179.db2.gz AFWKUVCRZXJJJB-OAQYLSRUSA-N 2 1 415.626 3.913 20 0 HHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)CC2)cc1 ZINC000046347152 967757057 /nfs/dbraw/zinc/75/70/57/967757057.db2.gz XKYOZKNCDDAEJP-NRFANRHFSA-N 2 1 400.592 3.577 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)NCCCC[NH+]3CCCC[C@@H]3C)CC2)cc1 ZINC000046750617 967951095 /nfs/dbraw/zinc/95/10/95/967951095.db2.gz QNQKXEJUBQDBKQ-NRFANRHFSA-N 2 1 416.610 3.567 20 0 HHADMP COc1ccc(C[NH+]2CCCN(C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000046750617 967951104 /nfs/dbraw/zinc/95/11/04/967951104.db2.gz QNQKXEJUBQDBKQ-NRFANRHFSA-N 2 1 416.610 3.567 20 0 HHADMP COc1ccc(C[NH+]2CCCN(C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000046750617 967951113 /nfs/dbraw/zinc/95/11/13/967951113.db2.gz QNQKXEJUBQDBKQ-NRFANRHFSA-N 2 1 416.610 3.567 20 0 HHADMP CC[NH+]1CCN(c2ccc(C(=O)Nc3cccc(CC[N@H+](C)C4CC4)c3)cc2F)CC1 ZINC000538230884 1013780001 /nfs/dbraw/zinc/78/00/01/1013780001.db2.gz PQCZSQOHODKTNM-UHFFFAOYSA-N 2 1 424.564 3.857 20 0 HHADMP CC[NH+]1CCN(c2ccc(C(=O)Nc3cccc(CC[N@@H+](C)C4CC4)c3)cc2F)CC1 ZINC000538230884 1013780011 /nfs/dbraw/zinc/78/00/11/1013780011.db2.gz PQCZSQOHODKTNM-UHFFFAOYSA-N 2 1 424.564 3.857 20 0 HHADMP COc1cc2c(cc1C[NH2+]Cc1ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc1)O[C@H](C)C2 ZINC000047609663 968257639 /nfs/dbraw/zinc/25/76/39/968257639.db2.gz YGKLNFGJLJCEJN-QRVBRYPASA-N 2 1 410.558 3.918 20 0 HHADMP C[NH+](C)C[C@H](NC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1ccc(F)cc1 ZINC000554164305 1013830716 /nfs/dbraw/zinc/83/07/16/1013830716.db2.gz YRQWDGKPAURBSB-NRFANRHFSA-N 2 1 416.566 3.799 20 0 HHADMP COc1c(Br)cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000106868456 969308277 /nfs/dbraw/zinc/30/82/77/969308277.db2.gz GBMCKFUSKZUQKF-QWHCGFSZSA-N 2 1 418.173 3.937 20 0 HHADMP COc1c(Br)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000106868456 969308280 /nfs/dbraw/zinc/30/82/80/969308280.db2.gz GBMCKFUSKZUQKF-QWHCGFSZSA-N 2 1 418.173 3.937 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NCc3ccccc3C[NH+]3CCCC3)CC2)cs1 ZINC000110441943 969668843 /nfs/dbraw/zinc/66/88/43/969668843.db2.gz ZCSTXUOYRQWDIY-UHFFFAOYSA-N 2 1 412.603 3.576 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000110909000 969739811 /nfs/dbraw/zinc/73/98/11/969739811.db2.gz FHRNMOOCVJMAEO-UHFFFAOYSA-N 2 1 410.949 3.692 20 0 HHADMP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1)c1ccccc1 ZINC000111036911 969763789 /nfs/dbraw/zinc/76/37/89/969763789.db2.gz LDSFYPZBPXDUIE-XMMPIXPASA-N 2 1 409.574 3.813 20 0 HHADMP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1)c1ccccc1 ZINC000111036911 969763793 /nfs/dbraw/zinc/76/37/93/969763793.db2.gz LDSFYPZBPXDUIE-XMMPIXPASA-N 2 1 409.574 3.813 20 0 HHADMP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000116437549 969894860 /nfs/dbraw/zinc/89/48/60/969894860.db2.gz JCHMGWDMCOONHP-QFIPXVFZSA-N 2 1 424.614 3.790 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000195647004 969931108 /nfs/dbraw/zinc/93/11/08/969931108.db2.gz LPZZQPMYULKADW-AVRDEDQJSA-N 2 1 424.614 3.631 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000195647004 969931110 /nfs/dbraw/zinc/93/11/10/969931110.db2.gz LPZZQPMYULKADW-AVRDEDQJSA-N 2 1 424.614 3.631 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000195647004 969931112 /nfs/dbraw/zinc/93/11/12/969931112.db2.gz LPZZQPMYULKADW-AVRDEDQJSA-N 2 1 424.614 3.631 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000195647004 969931117 /nfs/dbraw/zinc/93/11/17/969931117.db2.gz LPZZQPMYULKADW-AVRDEDQJSA-N 2 1 424.614 3.631 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000195648247 969931972 /nfs/dbraw/zinc/93/19/72/969931972.db2.gz VNVGWFDGHQDDLP-NRFANRHFSA-N 2 1 418.585 3.588 20 0 HHADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000195648247 969931974 /nfs/dbraw/zinc/93/19/74/969931974.db2.gz VNVGWFDGHQDDLP-NRFANRHFSA-N 2 1 418.585 3.588 20 0 HHADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000139837976 970048941 /nfs/dbraw/zinc/04/89/41/970048941.db2.gz NBSXFMGKSGRQLH-GUDVDZBRSA-N 2 1 404.624 3.723 20 0 HHADMP c1ccc(CN2CC[NH+](CCCC[NH2+]C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000236697896 970157719 /nfs/dbraw/zinc/15/77/19/970157719.db2.gz FJIPWHVYPIDLLZ-UHFFFAOYSA-N 3 1 420.645 3.839 20 0 HHADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000237165674 970234079 /nfs/dbraw/zinc/23/40/79/970234079.db2.gz HINBLJIGFSEDIQ-UHFFFAOYSA-N 2 1 423.026 3.739 20 0 HHADMP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000237399694 970277611 /nfs/dbraw/zinc/27/76/11/970277611.db2.gz JKVGZQFXMWQTOE-SFHVURJKSA-N 2 1 411.546 3.675 20 0 HHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000237673808 970336038 /nfs/dbraw/zinc/33/60/38/970336038.db2.gz PNNSDUIRFOXJCK-FQEVSTJZSA-N 2 1 404.986 3.528 20 0 HHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000237879420 970386845 /nfs/dbraw/zinc/38/68/45/970386845.db2.gz FDZHZRSDLXAMKR-FQEVSTJZSA-N 2 1 416.997 3.792 20 0 HHADMP [NH3+]CCCC(=O)N1CC[NH+](Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC000237908333 970393038 /nfs/dbraw/zinc/39/30/38/970393038.db2.gz PLAYDCXEVVUMDA-UHFFFAOYSA-N 2 1 422.392 3.561 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(OC(F)(F)F)c3)c2)C1 ZINC000237916881 970393873 /nfs/dbraw/zinc/39/38/73/970393873.db2.gz AUNHGWYKHBVMQS-LJQANCHMSA-N 2 1 421.463 3.572 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000237934018 970397882 /nfs/dbraw/zinc/39/78/82/970397882.db2.gz KUNAMPWZBAVWIG-IBGZPJMESA-N 2 1 405.464 3.693 20 0 HHADMP O=C(COc1ccccc1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1)N1CCCC1 ZINC000238001250 970414755 /nfs/dbraw/zinc/41/47/55/970414755.db2.gz RPQPFAHALJEDLF-UHFFFAOYSA-N 2 1 421.585 3.964 20 0 HHADMP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)COc1cccc(C(F)(F)F)c1 ZINC000238015693 970418881 /nfs/dbraw/zinc/41/88/81/970418881.db2.gz FVPKEXWRSWFHHM-NRFANRHFSA-N 2 1 422.491 3.742 20 0 HHADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000554746484 1014036851 /nfs/dbraw/zinc/03/68/51/1014036851.db2.gz ZMSKPYPJFCNZFU-BGYRXZFFSA-N 2 1 411.512 3.952 20 0 HHADMP O=C(OCc1ccccc1)N1CCC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000380943468 972779128 /nfs/dbraw/zinc/77/91/28/972779128.db2.gz NQHGFJXMFGJXEC-HSZRJFAPSA-N 2 1 407.558 3.899 20 0 HHADMP [NH3+]C1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccc(Br)cc4)o3)C2)CC1 ZINC000393035852 972859937 /nfs/dbraw/zinc/85/99/37/972859937.db2.gz UHEZLYWFADUYLW-GOSISDBHSA-N 2 1 404.352 3.707 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H](C)[NH+]1CCc2ccccc2C1 ZINC000410391484 973989683 /nfs/dbraw/zinc/98/96/83/973989683.db2.gz IIFQVFAPHYCTEJ-FQEVSTJZSA-N 2 1 408.590 3.773 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000410391484 973989687 /nfs/dbraw/zinc/98/96/87/973989687.db2.gz IIFQVFAPHYCTEJ-FQEVSTJZSA-N 2 1 408.590 3.773 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000410391484 973989693 /nfs/dbraw/zinc/98/96/93/973989693.db2.gz IIFQVFAPHYCTEJ-FQEVSTJZSA-N 2 1 408.590 3.773 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2cnc3ccccc3c2)CC1)Cc1ccccc1 ZINC000410410876 974008802 /nfs/dbraw/zinc/00/88/02/974008802.db2.gz ZOLKATKKYHZJIV-UHFFFAOYSA-N 2 1 416.569 3.695 20 0 HHADMP COc1ccc(CC[C@@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1O ZINC000426149730 974267401 /nfs/dbraw/zinc/26/74/01/974267401.db2.gz BVPGIRARCIUNOX-MRXNPFEDSA-N 2 1 401.551 3.829 20 0 HHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)CCc3ccc(OC)c(O)c3)cc2)CC1 ZINC000426418141 974439492 /nfs/dbraw/zinc/43/94/92/974439492.db2.gz DYBSYCFJNPZNKB-HXUWFJFHSA-N 2 1 411.590 3.649 20 0 HHADMP C[C@H](C(=O)N1CCCc2ccccc21)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426766164 974644330 /nfs/dbraw/zinc/64/43/30/974644330.db2.gz XJMKITFZRNUYOC-QHAWAJNXSA-N 2 1 413.606 3.566 20 0 HHADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC(=O)Nc3cccc4ccccc43)CC2)C[C@H](C)O1 ZINC000426818119 974683310 /nfs/dbraw/zinc/68/33/10/974683310.db2.gz DIRBSMAJRQLLBF-BGYRXZFFSA-N 2 1 409.574 3.990 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CC(=O)Nc3cccc4ccccc43)CC2)C[C@H](C)O1 ZINC000426818119 974683314 /nfs/dbraw/zinc/68/33/14/974683314.db2.gz DIRBSMAJRQLLBF-BGYRXZFFSA-N 2 1 409.574 3.990 20 0 HHADMP CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000427937632 975357874 /nfs/dbraw/zinc/35/78/74/975357874.db2.gz ZOPAVWNUGBANOX-XXBNENTESA-N 2 1 400.611 3.569 20 0 HHADMP CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000427937632 975357881 /nfs/dbraw/zinc/35/78/81/975357881.db2.gz ZOPAVWNUGBANOX-XXBNENTESA-N 2 1 400.611 3.569 20 0 HHADMP C[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000428264129 975577729 /nfs/dbraw/zinc/57/77/29/975577729.db2.gz UXGLSJJWXXTXTF-OTPAQWSUSA-N 2 1 420.601 3.786 20 0 HHADMP C[C@H](CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000428264129 975577736 /nfs/dbraw/zinc/57/77/36/975577736.db2.gz UXGLSJJWXXTXTF-OTPAQWSUSA-N 2 1 420.601 3.786 20 0 HHADMP C[C@H](CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000428264129 975577748 /nfs/dbraw/zinc/57/77/48/975577748.db2.gz UXGLSJJWXXTXTF-OTPAQWSUSA-N 2 1 420.601 3.786 20 0 HHADMP COC1(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CCOCC1 ZINC000428869523 976160048 /nfs/dbraw/zinc/16/00/48/976160048.db2.gz BINRCGBSRWSXRT-MJGOQNOKSA-N 2 1 400.485 3.874 20 0 HHADMP COC1(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CCOCC1 ZINC000428869523 976160050 /nfs/dbraw/zinc/16/00/50/976160050.db2.gz BINRCGBSRWSXRT-MJGOQNOKSA-N 2 1 400.485 3.874 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000428914111 976215338 /nfs/dbraw/zinc/21/53/38/976215338.db2.gz XYNQQZDOJPQMQZ-GCJKJVERSA-N 2 1 412.553 3.740 20 0 HHADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000429484937 976745311 /nfs/dbraw/zinc/74/53/11/976745311.db2.gz COSMTQCHEPUZQW-DHIUTWEWSA-N 2 1 423.605 3.839 20 0 HHADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000429484937 976745324 /nfs/dbraw/zinc/74/53/24/976745324.db2.gz COSMTQCHEPUZQW-DHIUTWEWSA-N 2 1 423.605 3.839 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000429486028 976746363 /nfs/dbraw/zinc/74/63/63/976746363.db2.gz BTLLVYXTRLNQAE-OFNKIYASSA-N 2 1 414.638 3.833 20 0 HHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000429486028 976746374 /nfs/dbraw/zinc/74/63/74/976746374.db2.gz BTLLVYXTRLNQAE-OFNKIYASSA-N 2 1 414.638 3.833 20 0 HHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000429486028 976746384 /nfs/dbraw/zinc/74/63/84/976746384.db2.gz BTLLVYXTRLNQAE-OFNKIYASSA-N 2 1 414.638 3.833 20 0 HHADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000429555912 976824586 /nfs/dbraw/zinc/82/45/86/976824586.db2.gz NUUZUQJTDSCQNV-PKTZIBPZSA-N 2 1 418.528 3.848 20 0 HHADMP Cc1cc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000429602755 976883681 /nfs/dbraw/zinc/88/36/81/976883681.db2.gz QCEUHIIONFIENQ-FCHUYYIVSA-N 2 1 424.593 3.587 20 0 HHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000430014775 977271877 /nfs/dbraw/zinc/27/18/77/977271877.db2.gz YOLGGRGMPDONIR-JOCHJYFZSA-N 2 1 400.950 3.985 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000430670541 977681317 /nfs/dbraw/zinc/68/13/17/977681317.db2.gz NIQXKUNHCPWIBG-UNMCSNQZSA-N 2 1 419.560 3.723 20 0 HHADMP Cc1ccccc1SCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430670922 977681846 /nfs/dbraw/zinc/68/18/46/977681846.db2.gz OZNVNQYDLOEEIV-UHFFFAOYSA-N 2 1 403.636 3.742 20 0 HHADMP CC(C)COc1cccc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430673711 977684890 /nfs/dbraw/zinc/68/48/90/977684890.db2.gz FRXNZNFCZHJUTP-UHFFFAOYSA-N 2 1 415.622 3.990 20 0 HHADMP C[C@@H](Oc1ccccc1Cl)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430678125 977688854 /nfs/dbraw/zinc/68/88/54/977688854.db2.gz IECPWEIYYLTDMM-GOSISDBHSA-N 2 1 422.013 3.762 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1sccc1OC(F)F ZINC000430679701 977689755 /nfs/dbraw/zinc/68/97/55/977689755.db2.gz QDBDGNOZTKHRBP-UHFFFAOYSA-N 2 1 415.550 3.618 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCSc1ccccc1F ZINC000430684033 977693474 /nfs/dbraw/zinc/69/34/74/977693474.db2.gz YSQWJKCTMSKXRT-UHFFFAOYSA-N 2 1 421.626 3.963 20 0 HHADMP Cc1cccc(OCCC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000430683427 977693575 /nfs/dbraw/zinc/69/35/75/977693575.db2.gz JTMAJMPEFLURFF-UHFFFAOYSA-N 2 1 415.622 3.727 20 0 HHADMP CSc1ccc(C)c(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430684192 977694197 /nfs/dbraw/zinc/69/41/97/977694197.db2.gz ZGSXTUIAINZZCQ-UHFFFAOYSA-N 2 1 403.636 3.985 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C[C@H]1CCOc2ccccc21 ZINC000430684303 977694394 /nfs/dbraw/zinc/69/43/94/977694394.db2.gz CWRFQCNFHUHQCL-OAQYLSRUSA-N 2 1 413.606 3.598 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1coc(-c2ccccc2)n1 ZINC000430687097 977695057 /nfs/dbraw/zinc/69/50/57/977695057.db2.gz OYNBWSSGFFQKTB-UHFFFAOYSA-N 2 1 410.562 3.610 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1csc(-c2ccoc2)n1 ZINC000430685933 977695136 /nfs/dbraw/zinc/69/51/36/977695136.db2.gz KFPSURBGFMJECY-UHFFFAOYSA-N 2 1 416.591 3.671 20 0 HHADMP C[C@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(F)c(F)c1 ZINC000430688539 977696894 /nfs/dbraw/zinc/69/68/94/977696894.db2.gz YHRBGSSJXGSVGY-KRWDZBQOSA-N 2 1 407.549 3.723 20 0 HHADMP COc1cccc(COC[C@H](O)C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000430827724 977783155 /nfs/dbraw/zinc/78/31/55/977783155.db2.gz OHTCJGDOLIMUGV-AGILITTLSA-N 2 1 412.574 3.558 20 0 HHADMP COc1cccc(COC[C@H](O)C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000430827724 977783164 /nfs/dbraw/zinc/78/31/64/977783164.db2.gz OHTCJGDOLIMUGV-AGILITTLSA-N 2 1 412.574 3.558 20 0 HHADMP COc1cccc(COC[C@H](O)C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000430827724 977783170 /nfs/dbraw/zinc/78/31/70/977783170.db2.gz OHTCJGDOLIMUGV-AGILITTLSA-N 2 1 412.574 3.558 20 0 HHADMP COc1cccc(COC[C@H](O)C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000430827724 977783177 /nfs/dbraw/zinc/78/31/77/977783177.db2.gz OHTCJGDOLIMUGV-AGILITTLSA-N 2 1 412.574 3.558 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)CC1 ZINC000430879569 977845606 /nfs/dbraw/zinc/84/56/06/977845606.db2.gz UBZTWFJSZWVUCW-QHCPKHFHSA-N 2 1 420.601 3.704 20 0 HHADMP CCOc1ccc(OCC[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000430926561 977890880 /nfs/dbraw/zinc/89/08/80/977890880.db2.gz OFWVVQCQLHGPBZ-UHFFFAOYSA-N 2 1 403.611 3.592 20 0 HHADMP CCOc1ccc(OCC[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000430926561 977890891 /nfs/dbraw/zinc/89/08/91/977890891.db2.gz OFWVVQCQLHGPBZ-UHFFFAOYSA-N 3 1 403.611 3.592 20 0 HHADMP CCOc1ccc(OCC[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000430926561 977890903 /nfs/dbraw/zinc/89/09/03/977890903.db2.gz OFWVVQCQLHGPBZ-UHFFFAOYSA-N 3 1 403.611 3.592 20 0 HHADMP CCN(C(=O)[C@H](C)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccccc1 ZINC000430932642 977897390 /nfs/dbraw/zinc/89/73/90/977897390.db2.gz ZNOOYKGPGKYYTJ-NRFANRHFSA-N 2 1 414.638 3.556 20 0 HHADMP C[C@H](c1nnc(-c2cccs2)o1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430938843 977901251 /nfs/dbraw/zinc/90/12/51/977901251.db2.gz JLVRCGAIPLCUNB-QGZVFWFLSA-N 2 1 417.623 3.987 20 0 HHADMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(F)c1 ZINC000430944388 977905170 /nfs/dbraw/zinc/90/51/70/977905170.db2.gz LVRAWWYRUPCFTR-LJQANCHMSA-N 2 1 418.601 3.589 20 0 HHADMP Cc1cc(NC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)n(C2CC[NH+](C)CC2)n1 ZINC000431151038 978052578 /nfs/dbraw/zinc/05/25/78/978052578.db2.gz IMMAACGORGADRB-LJQANCHMSA-N 2 1 418.973 3.536 20 0 HHADMP CC(C)CC[NH+]1CCC(CNC(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000431175251 978074787 /nfs/dbraw/zinc/07/47/87/978074787.db2.gz LXMRYFOSNRGUKZ-HXUWFJFHSA-N 2 1 416.610 3.959 20 0 HHADMP CC(C)CC[NH+]1CCC(CNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000431566821 978362485 /nfs/dbraw/zinc/36/24/85/978362485.db2.gz SKTNOZUXSLBPBF-NHCUHLMSSA-N 2 1 415.622 3.784 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)CCSc3ccccc3)CC2)CC1 ZINC000431610909 978383282 /nfs/dbraw/zinc/38/32/82/978383282.db2.gz SMKUXCOZEPHMHV-FQEVSTJZSA-N 2 1 403.636 3.824 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@H]1CSc2ccccc21 ZINC000431662597 978419349 /nfs/dbraw/zinc/41/93/49/978419349.db2.gz DXZJYOPEBGHYER-NRFANRHFSA-N 2 1 416.635 3.671 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N2CCC[NH+](Cc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000431704397 978447731 /nfs/dbraw/zinc/44/77/31/978447731.db2.gz XARQFAFRHQMCQO-RCZVLFRGSA-N 2 1 420.601 3.957 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC[NH+]1Cc1ccccc1 ZINC000431704397 978447734 /nfs/dbraw/zinc/44/77/34/978447734.db2.gz XARQFAFRHQMCQO-RCZVLFRGSA-N 2 1 420.601 3.957 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC[NH+]1Cc1ccccc1 ZINC000431704397 978447736 /nfs/dbraw/zinc/44/77/36/978447736.db2.gz XARQFAFRHQMCQO-RCZVLFRGSA-N 2 1 420.601 3.957 20 0 HHADMP Cc1ccccc1C[C@@H](C)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431778222 978506057 /nfs/dbraw/zinc/50/60/57/978506057.db2.gz HVANYOFIZKLYFU-OAQYLSRUSA-N 2 1 414.638 3.764 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3C3CCCC3)cc2)C[C@H](C)O1 ZINC000431902340 978588126 /nfs/dbraw/zinc/58/81/26/978588126.db2.gz ONCUYWOUHRTVTF-ROKPMTFOSA-N 2 1 413.606 3.709 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)cc2)C[C@H](C)O1 ZINC000431902340 978588129 /nfs/dbraw/zinc/58/81/29/978588129.db2.gz ONCUYWOUHRTVTF-ROKPMTFOSA-N 2 1 413.606 3.709 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)cc2)C[C@H](C)O1 ZINC000431902340 978588133 /nfs/dbraw/zinc/58/81/33/978588133.db2.gz ONCUYWOUHRTVTF-ROKPMTFOSA-N 2 1 413.606 3.709 20 0 HHADMP CC(C)c1ccc(S(=O)(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000431918337 978600438 /nfs/dbraw/zinc/60/04/38/978600438.db2.gz HGTYULPWHBKXSR-UHFFFAOYSA-N 2 1 421.651 3.627 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCCCc1cccc(F)c1 ZINC000431971428 978624429 /nfs/dbraw/zinc/62/44/29/978624429.db2.gz UBDPEFBFMXVQMZ-UHFFFAOYSA-N 2 1 418.601 3.596 20 0 HHADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCCO1 ZINC000432351271 978772301 /nfs/dbraw/zinc/77/23/01/978772301.db2.gz KWWKUYHIZUYNCC-GOSISDBHSA-N 2 1 424.427 3.504 20 0 HHADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCCO1 ZINC000432351271 978772306 /nfs/dbraw/zinc/77/23/06/978772306.db2.gz KWWKUYHIZUYNCC-GOSISDBHSA-N 2 1 424.427 3.504 20 0 HHADMP COc1cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)ccc1OCc1cccs1 ZINC000432365226 978779731 /nfs/dbraw/zinc/77/97/31/978779731.db2.gz RKPXUJZBGZBPCT-SFHVURJKSA-N 2 1 404.576 3.926 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C2CCC(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000432411405 978800672 /nfs/dbraw/zinc/80/06/72/978800672.db2.gz XWSFTVOGKQUROH-IPCDKGFNSA-N 2 1 411.512 3.909 20 0 HHADMP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432422042 978804612 /nfs/dbraw/zinc/80/46/12/978804612.db2.gz CFHOYZRSQNVAFP-CVEARBPZSA-N 2 1 401.473 3.513 20 0 HHADMP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432422042 978804617 /nfs/dbraw/zinc/80/46/17/978804617.db2.gz CFHOYZRSQNVAFP-CVEARBPZSA-N 2 1 401.473 3.513 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000432423080 978805769 /nfs/dbraw/zinc/80/57/69/978805769.db2.gz WQSCWERCBGAWBI-JCHJZTRSSA-N 2 1 411.512 3.847 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000432423080 978805774 /nfs/dbraw/zinc/80/57/74/978805774.db2.gz WQSCWERCBGAWBI-JCHJZTRSSA-N 2 1 411.512 3.847 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000432423080 978805779 /nfs/dbraw/zinc/80/57/79/978805779.db2.gz WQSCWERCBGAWBI-JCHJZTRSSA-N 2 1 411.512 3.847 20 0 HHADMP C[C@@H]1CN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC[N@@H+](C2CCC2)C1 ZINC000432754847 978959972 /nfs/dbraw/zinc/95/99/72/978959972.db2.gz OZYSJKQZCREBCQ-SFHVURJKSA-N 2 1 402.608 3.574 20 0 HHADMP C[C@@H]1CN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC[N@H+](C2CCC2)C1 ZINC000432754847 978959977 /nfs/dbraw/zinc/95/99/77/978959977.db2.gz OZYSJKQZCREBCQ-SFHVURJKSA-N 2 1 402.608 3.574 20 0 HHADMP COc1cc(C[NH+](C)C[C@@H]2CCCC[C@H]2O)cc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)c1 ZINC000432854931 978993013 /nfs/dbraw/zinc/99/30/13/978993013.db2.gz SYZMCABGHFYEJR-OPBMBUAESA-N 2 1 418.622 3.661 20 0 HHADMP COc1cc(C[NH+](C)C[C@@H]2CCCC[C@@H]2O)cc(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)c1 ZINC000432854931 978993015 /nfs/dbraw/zinc/99/30/15/978993015.db2.gz SYZMCABGHFYEJR-OPBMBUAESA-N 2 1 418.622 3.661 20 0 HHADMP COc1cc(C[NH+](C)C[C@@H]2CCCC[C@@H]2O)cc(C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)c1 ZINC000432854931 978993019 /nfs/dbraw/zinc/99/30/19/978993019.db2.gz SYZMCABGHFYEJR-OPBMBUAESA-N 2 1 418.622 3.661 20 0 HHADMP CCc1nc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)sc1C ZINC000433060983 979055045 /nfs/dbraw/zinc/05/50/45/979055045.db2.gz INPOXYMPPXEAFH-UHFFFAOYSA-N 2 1 412.603 3.941 20 0 HHADMP CCc1nc(NC(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)sc1C ZINC000433060983 979055047 /nfs/dbraw/zinc/05/50/47/979055047.db2.gz INPOXYMPPXEAFH-UHFFFAOYSA-N 2 1 412.603 3.941 20 0 HHADMP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N[C@H]1CCOc2ccccc21 ZINC000433074017 979059417 /nfs/dbraw/zinc/05/94/17/979059417.db2.gz HNVFANWBLDJCNU-QHCPKHFHSA-N 2 1 419.569 3.615 20 0 HHADMP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)NCc1ccc(Cl)cc1 ZINC000433173814 979117718 /nfs/dbraw/zinc/11/77/18/979117718.db2.gz IUWJNBBEFVLZOL-UHFFFAOYSA-N 2 1 411.977 3.944 20 0 HHADMP C[C@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000433249001 979181020 /nfs/dbraw/zinc/18/10/20/979181020.db2.gz VBUMHANQOKIUGE-YRNRMSPPSA-N 2 1 420.395 3.797 20 0 HHADMP C[C@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000433249001 979181026 /nfs/dbraw/zinc/18/10/26/979181026.db2.gz VBUMHANQOKIUGE-YRNRMSPPSA-N 2 1 420.395 3.797 20 0 HHADMP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000433329750 979241503 /nfs/dbraw/zinc/24/15/03/979241503.db2.gz VIDROODVBMKWSF-UHFFFAOYSA-N 2 1 419.451 3.730 20 0 HHADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000434158884 979921090 /nfs/dbraw/zinc/92/10/90/979921090.db2.gz HZFPXWCZVNHQAE-UHFFFAOYSA-N 2 1 413.562 3.507 20 0 HHADMP O=C(CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)NCc1ccccc1Cl ZINC000434688043 980340655 /nfs/dbraw/zinc/34/06/55/980340655.db2.gz HLWAWBJURMIGES-UHFFFAOYSA-N 2 1 400.954 3.759 20 0 HHADMP C[N@@H+](CCC[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)Cc1ccccc1 ZINC000436281876 981282472 /nfs/dbraw/zinc/28/24/72/981282472.db2.gz QLYZJPQEDJWIBI-UHFFFAOYSA-N 2 1 405.542 3.706 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000448205137 981617486 /nfs/dbraw/zinc/61/74/86/981617486.db2.gz NZLDJRFAAGTBIS-UTQNJUMMSA-N 2 1 422.617 3.840 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448205137 981617487 /nfs/dbraw/zinc/61/74/87/981617487.db2.gz NZLDJRFAAGTBIS-UTQNJUMMSA-N 2 1 422.617 3.840 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448205137 981617489 /nfs/dbraw/zinc/61/74/89/981617489.db2.gz NZLDJRFAAGTBIS-UTQNJUMMSA-N 2 1 422.617 3.840 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000448208245 981621588 /nfs/dbraw/zinc/62/15/88/981621588.db2.gz GDXOBFDAQTZPIW-MDNUFGMLSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000448208245 981621592 /nfs/dbraw/zinc/62/15/92/981621592.db2.gz GDXOBFDAQTZPIW-MDNUFGMLSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000448208245 981621593 /nfs/dbraw/zinc/62/15/93/981621593.db2.gz GDXOBFDAQTZPIW-MDNUFGMLSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000448208247 981621618 /nfs/dbraw/zinc/62/16/18/981621618.db2.gz GDXOBFDAQTZPIW-WWNPGLIZSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000448208247 981621620 /nfs/dbraw/zinc/62/16/20/981621620.db2.gz GDXOBFDAQTZPIW-WWNPGLIZSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000448208247 981621624 /nfs/dbraw/zinc/62/16/24/981621624.db2.gz GDXOBFDAQTZPIW-WWNPGLIZSA-N 2 1 400.611 3.564 20 0 HHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000448212836 981626939 /nfs/dbraw/zinc/62/69/39/981626939.db2.gz MEQYXFXDBNBHBM-CNNODRBYSA-N 2 1 416.635 3.618 20 0 HHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448212836 981626941 /nfs/dbraw/zinc/62/69/41/981626941.db2.gz MEQYXFXDBNBHBM-CNNODRBYSA-N 2 1 416.635 3.618 20 0 HHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448212836 981626947 /nfs/dbraw/zinc/62/69/47/981626947.db2.gz MEQYXFXDBNBHBM-CNNODRBYSA-N 2 1 416.635 3.618 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000448212809 981626978 /nfs/dbraw/zinc/62/69/78/981626978.db2.gz LYIHINVPFUMVQI-NQRVTCLYSA-N 2 1 410.606 3.698 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000448212809 981626983 /nfs/dbraw/zinc/62/69/83/981626983.db2.gz LYIHINVPFUMVQI-NQRVTCLYSA-N 2 1 410.606 3.698 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000448212809 981626985 /nfs/dbraw/zinc/62/69/85/981626985.db2.gz LYIHINVPFUMVQI-NQRVTCLYSA-N 2 1 410.606 3.698 20 0 HHADMP C[C@@H]1CCCN(Cc2csc(NC(=O)N3CCC(Cc4[nH+]ccn4C)CC3)n2)C1 ZINC000448241013 981648332 /nfs/dbraw/zinc/64/83/32/981648332.db2.gz NENIFRSVKWDIPZ-MRXNPFEDSA-N 2 1 416.595 3.595 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000448258930 981659731 /nfs/dbraw/zinc/65/97/31/981659731.db2.gz ZQWFAPQCWZSRTH-CEMLEFRQSA-N 2 1 400.611 3.801 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC[NH+]1Cc1ccccc1 ZINC000448258930 981659734 /nfs/dbraw/zinc/65/97/34/981659734.db2.gz ZQWFAPQCWZSRTH-CEMLEFRQSA-N 2 1 400.611 3.801 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC[NH+]1Cc1ccccc1 ZINC000448258930 981659737 /nfs/dbraw/zinc/65/97/37/981659737.db2.gz ZQWFAPQCWZSRTH-CEMLEFRQSA-N 2 1 400.611 3.801 20 0 HHADMP C[C@H](c1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1)[NH+]1CCOCC1 ZINC000448369233 981729273 /nfs/dbraw/zinc/72/92/73/981729273.db2.gz ZDTSRSLZHSSQNB-QMHWCDLVSA-N 2 1 412.578 3.560 20 0 HHADMP C[C@H](c1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1)[NH+]1CCOCC1 ZINC000448369233 981729277 /nfs/dbraw/zinc/72/92/77/981729277.db2.gz ZDTSRSLZHSSQNB-QMHWCDLVSA-N 2 1 412.578 3.560 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000448473814 981815597 /nfs/dbraw/zinc/81/55/97/981815597.db2.gz UHTIRLUXANJSRS-MQSCRBSSSA-N 2 1 414.638 3.810 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000448475402 981817870 /nfs/dbraw/zinc/81/78/70/981817870.db2.gz SOXOGNLOMRYLCT-JOCHJYFZSA-N 2 1 400.611 3.660 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000448519550 981846536 /nfs/dbraw/zinc/84/65/36/981846536.db2.gz FCCXMRWXSFLTCV-WGGBDISSSA-N 2 1 407.562 3.900 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000448519550 981846547 /nfs/dbraw/zinc/84/65/47/981846547.db2.gz FCCXMRWXSFLTCV-WGGBDISSSA-N 2 1 407.562 3.900 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000460363816 982139305 /nfs/dbraw/zinc/13/93/05/982139305.db2.gz JOBZLNUPWKRGET-IRXDYDNUSA-N 2 1 410.949 3.594 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000460364364 982140295 /nfs/dbraw/zinc/14/02/95/982140295.db2.gz LFSQPIDDUPWVII-KLGLLFHNSA-N 2 1 407.558 3.654 20 0 HHADMP O=C(C[N@@H+]1CCS[C@@H]2CCCC[C@H]21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000437525306 982150985 /nfs/dbraw/zinc/15/09/85/982150985.db2.gz MMBYQYZUTPTXCK-WOJBJXKFSA-N 2 1 405.633 3.534 20 0 HHADMP O=C(C[N@H+]1CCS[C@@H]2CCCC[C@H]21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000437525306 982150987 /nfs/dbraw/zinc/15/09/87/982150987.db2.gz MMBYQYZUTPTXCK-WOJBJXKFSA-N 2 1 405.633 3.534 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000460387078 982166696 /nfs/dbraw/zinc/16/66/96/982166696.db2.gz OEGBBZJDPLKOLK-SGNDLWITSA-N 2 1 412.622 3.518 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000460387078 982166700 /nfs/dbraw/zinc/16/67/00/982166700.db2.gz OEGBBZJDPLKOLK-SGNDLWITSA-N 2 1 412.622 3.518 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000460387078 982166705 /nfs/dbraw/zinc/16/67/05/982166705.db2.gz OEGBBZJDPLKOLK-SGNDLWITSA-N 2 1 412.622 3.518 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000437607695 982229604 /nfs/dbraw/zinc/22/96/04/982229604.db2.gz XKFANMLGKZLQIX-KRWDZBQOSA-N 2 1 400.489 3.894 20 0 HHADMP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000437770020 982344883 /nfs/dbraw/zinc/34/48/83/982344883.db2.gz FYWJRVQHHNTDDV-RSXGOPAZSA-N 2 1 421.585 3.947 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)CC2)cs1 ZINC000437836958 982394125 /nfs/dbraw/zinc/39/41/25/982394125.db2.gz INQLFAIBHJPLBM-NRFANRHFSA-N 2 1 404.624 3.577 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)CC2)cs1 ZINC000437836958 982394129 /nfs/dbraw/zinc/39/41/29/982394129.db2.gz INQLFAIBHJPLBM-NRFANRHFSA-N 2 1 404.624 3.577 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC[C@H]3CCC[NH+]3C3CCCCC3)cc2)C[C@H](C)O1 ZINC000437853231 982410702 /nfs/dbraw/zinc/41/07/02/982410702.db2.gz OAGKJZZIOWQLEN-JXALWOEJSA-N 2 1 413.606 3.823 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC[C@H]3CCC[NH+]3C3CCCCC3)cc2)C[C@H](C)O1 ZINC000437853231 982410705 /nfs/dbraw/zinc/41/07/05/982410705.db2.gz OAGKJZZIOWQLEN-JXALWOEJSA-N 2 1 413.606 3.823 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)cc2)C[C@H](C)O1 ZINC000437853231 982410708 /nfs/dbraw/zinc/41/07/08/982410708.db2.gz OAGKJZZIOWQLEN-JXALWOEJSA-N 2 1 413.606 3.823 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)cc2)C[C@H](C)O1 ZINC000437853231 982410711 /nfs/dbraw/zinc/41/07/11/982410711.db2.gz OAGKJZZIOWQLEN-JXALWOEJSA-N 2 1 413.606 3.823 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000438040714 982543339 /nfs/dbraw/zinc/54/33/39/982543339.db2.gz KOTWCKPPKPHTDD-HSZRJFAPSA-N 2 1 422.573 3.797 20 0 HHADMP CCOC(=O)Cn1nc(C)c(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1C ZINC000438086647 982579824 /nfs/dbraw/zinc/57/98/24/982579824.db2.gz BWKAOHBLEVRXDL-SFHVURJKSA-N 2 1 412.578 3.727 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc2ccc(OC)cc2c1C ZINC000460906697 982642204 /nfs/dbraw/zinc/64/22/04/982642204.db2.gz DFMKZPISRNZRSP-KRWDZBQOSA-N 2 1 403.592 3.706 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1noc(C2CCCCC2)n1 ZINC000438452830 982803333 /nfs/dbraw/zinc/80/33/33/982803333.db2.gz FHUUREHUSHZWAC-UHFFFAOYSA-N 2 1 403.615 3.745 20 0 HHADMP C[C@@]1(c2ccccc2)CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000438495800 982839384 /nfs/dbraw/zinc/83/93/84/982839384.db2.gz WPKUQIXLZHIIKB-XMMPIXPASA-N 2 1 409.599 3.838 20 0 HHADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)Nc3ccc(CC[NH+]4CCCC4)cc3)c2C1 ZINC000438644993 982963769 /nfs/dbraw/zinc/96/37/69/982963769.db2.gz BTSQYPVTILSTKX-UHFFFAOYSA-N 2 1 420.557 3.628 20 0 HHADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)Nc3ccc(CC[NH+]4CCCC4)cc3)c2C1 ZINC000438644993 982963775 /nfs/dbraw/zinc/96/37/75/982963775.db2.gz BTSQYPVTILSTKX-UHFFFAOYSA-N 2 1 420.557 3.628 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000438840719 983109048 /nfs/dbraw/zinc/10/90/48/983109048.db2.gz NYPHORJSHDFZRB-HSALFYBXSA-N 2 1 415.626 3.663 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000438842790 983110801 /nfs/dbraw/zinc/11/08/01/983110801.db2.gz SVJDIPHVPHNQKO-RDPSFJRHSA-N 2 1 421.589 3.571 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000438849930 983116454 /nfs/dbraw/zinc/11/64/54/983116454.db2.gz LBZULOOPQNTPOE-PMACEKPBSA-N 2 1 401.599 3.561 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000461454174 983120452 /nfs/dbraw/zinc/12/04/52/983120452.db2.gz GMTWVMDEMMYLDM-GGLXGSTNSA-N 2 1 417.597 3.735 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461454174 983120459 /nfs/dbraw/zinc/12/04/59/983120459.db2.gz GMTWVMDEMMYLDM-GGLXGSTNSA-N 2 1 417.597 3.735 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461454174 983120462 /nfs/dbraw/zinc/12/04/62/983120462.db2.gz GMTWVMDEMMYLDM-GGLXGSTNSA-N 2 1 417.597 3.735 20 0 HHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000438865651 983130482 /nfs/dbraw/zinc/13/04/82/983130482.db2.gz RZHPEHZIJSNONN-VQTJNVASSA-N 2 1 415.626 3.807 20 0 HHADMP C[NH+](C)CCN1CCC(C[NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000439144993 983271442 /nfs/dbraw/zinc/27/14/42/983271442.db2.gz WMKKEVSCCMBULB-SFHVURJKSA-N 2 1 400.430 3.825 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000439196609 983304782 /nfs/dbraw/zinc/30/47/82/983304782.db2.gz HAGXHEBADXFTSM-NRFANRHFSA-N 2 1 421.589 3.525 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000439214316 983313481 /nfs/dbraw/zinc/31/34/81/983313481.db2.gz SJXTTZPHYCTIJM-LJQANCHMSA-N 2 1 409.578 3.558 20 0 HHADMP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000439361495 983379234 /nfs/dbraw/zinc/37/92/34/983379234.db2.gz VBKMRULPSCJSEJ-PXNSSMCTSA-N 2 1 420.648 3.966 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000439737461 983520448 /nfs/dbraw/zinc/52/04/48/983520448.db2.gz YFPIWVYQNDNJPA-FDDCHVKYSA-N 2 1 410.537 3.527 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000439737461 983520453 /nfs/dbraw/zinc/52/04/53/983520453.db2.gz YFPIWVYQNDNJPA-FDDCHVKYSA-N 2 1 410.537 3.527 20 0 HHADMP O=C(NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000440127055 983652901 /nfs/dbraw/zinc/65/29/01/983652901.db2.gz DJQDZKVMRWMSGT-HSZRJFAPSA-N 2 1 422.573 3.829 20 0 HHADMP O=C(NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000440127055 983652903 /nfs/dbraw/zinc/65/29/03/983652903.db2.gz DJQDZKVMRWMSGT-HSZRJFAPSA-N 2 1 422.573 3.829 20 0 HHADMP CCC[N@H+](CC(=O)N1[C@H](C)CCC[C@H]1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000440455363 983763268 /nfs/dbraw/zinc/76/32/68/983763268.db2.gz UBINYZZAJCIIKZ-RTBURBONSA-N 2 1 401.599 3.564 20 0 HHADMP CCC[N@@H+](CC(=O)N1[C@H](C)CCC[C@H]1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000440455363 983763269 /nfs/dbraw/zinc/76/32/69/983763269.db2.gz UBINYZZAJCIIKZ-RTBURBONSA-N 2 1 401.599 3.564 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)C[N@@H+]1C1CC1 ZINC000440998306 984016915 /nfs/dbraw/zinc/01/69/15/984016915.db2.gz AWJNHEQWETVLRD-BEFAXECRSA-N 2 1 424.511 3.594 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)C[N@H+]1C1CC1 ZINC000440998306 984016922 /nfs/dbraw/zinc/01/69/22/984016922.db2.gz AWJNHEQWETVLRD-BEFAXECRSA-N 2 1 424.511 3.594 20 0 HHADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCc3ccccc3[C@@H](c3ccccc3)[C@H]2C)CC1 ZINC000441057620 984047657 /nfs/dbraw/zinc/04/76/57/984047657.db2.gz AHRBZVQMDVVHEG-FQRUVTKNSA-N 2 1 405.586 3.666 20 0 HHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000441284004 984157892 /nfs/dbraw/zinc/15/78/92/984157892.db2.gz WIYGUSPBDQHBHH-NRFANRHFSA-N 2 1 400.523 3.620 20 0 HHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000441284004 984157894 /nfs/dbraw/zinc/15/78/94/984157894.db2.gz WIYGUSPBDQHBHH-NRFANRHFSA-N 2 1 400.523 3.620 20 0 HHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000441356072 984204896 /nfs/dbraw/zinc/20/48/96/984204896.db2.gz LESSKGQTDJZIBX-JKSUJKDBSA-N 2 1 419.791 3.648 20 0 HHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000441356072 984204898 /nfs/dbraw/zinc/20/48/98/984204898.db2.gz LESSKGQTDJZIBX-JKSUJKDBSA-N 2 1 419.791 3.648 20 0 HHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000441356072 984204902 /nfs/dbraw/zinc/20/49/02/984204902.db2.gz LESSKGQTDJZIBX-JKSUJKDBSA-N 2 1 419.791 3.648 20 0 HHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000441356072 984204908 /nfs/dbraw/zinc/20/49/08/984204908.db2.gz LESSKGQTDJZIBX-JKSUJKDBSA-N 2 1 419.791 3.648 20 0 HHADMP C[N@H+]1CCN(CC[NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CC1(C)C ZINC000441361063 984208494 /nfs/dbraw/zinc/20/84/94/984208494.db2.gz YPHGPNYLYFMFMW-UHFFFAOYSA-N 2 1 408.306 3.584 20 0 HHADMP C[N@H+]1CCN(CC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1(C)C ZINC000441367195 984211978 /nfs/dbraw/zinc/21/19/78/984211978.db2.gz PWPDJMJDDAREOX-UHFFFAOYSA-N 2 1 417.601 3.714 20 0 HHADMP C[NH+](C)CC1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000441519730 984299870 /nfs/dbraw/zinc/29/98/70/984299870.db2.gz BCCVQMOPMSMUTO-UEUFPXFLSA-N 2 1 412.622 3.803 20 0 HHADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 ZINC000442044586 984608408 /nfs/dbraw/zinc/60/84/08/984608408.db2.gz BODHIHCVZXOCBH-MRXNPFEDSA-N 2 1 421.655 3.784 20 0 HHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000461729205 984743592 /nfs/dbraw/zinc/74/35/92/984743592.db2.gz PTIINSZSTHFMNZ-FYYLOGMGSA-N 2 1 400.611 3.660 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)C[NH+](C)Cc1ccccc1 ZINC000461730079 984744333 /nfs/dbraw/zinc/74/43/33/984744333.db2.gz RBAXDUADJQLFBF-ZJSXRUAMSA-N 2 1 423.605 3.598 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000461730079 984744337 /nfs/dbraw/zinc/74/43/37/984744337.db2.gz RBAXDUADJQLFBF-ZJSXRUAMSA-N 2 1 423.605 3.598 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000461730079 984744347 /nfs/dbraw/zinc/74/43/47/984744347.db2.gz RBAXDUADJQLFBF-ZJSXRUAMSA-N 2 1 423.605 3.598 20 0 HHADMP COCC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)CC1 ZINC000462039755 985014535 /nfs/dbraw/zinc/01/45/35/985014535.db2.gz OQPLLPSCBJTGTM-QHCPKHFHSA-N 2 1 412.574 3.996 20 0 HHADMP COCC[NH+]1CCC(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462114857 985084098 /nfs/dbraw/zinc/08/40/98/985084098.db2.gz YJTDARXPPBEYCY-GHTZIAJQSA-N 2 1 413.528 3.789 20 0 HHADMP COCC[NH+]1CCC(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462114860 985084741 /nfs/dbraw/zinc/08/47/41/985084741.db2.gz YJTDARXPPBEYCY-WIYYLYMNSA-N 2 1 413.528 3.789 20 0 HHADMP CCC[C@H]1CN(C(=O)NCC2(SC)CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000462512445 985463099 /nfs/dbraw/zinc/46/30/99/985463099.db2.gz PYNGPKJHKXAXAH-NRFANRHFSA-N 2 1 418.651 3.510 20 0 HHADMP CC(C)[NH+]1CCC(C(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000468015494 985668146 /nfs/dbraw/zinc/66/81/46/985668146.db2.gz BWGPMQFVAXJPCL-UHFFFAOYSA-N 2 1 411.512 3.906 20 0 HHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000443634771 985815494 /nfs/dbraw/zinc/81/54/94/985815494.db2.gz SRCGFKJHYNDGLX-UWJYYQICSA-N 2 1 407.002 3.534 20 0 HHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000443635397 985816674 /nfs/dbraw/zinc/81/66/74/985816674.db2.gz YCWJHWSSSYWQHN-ZJSXRUAMSA-N 2 1 414.638 3.703 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000463112855 986074977 /nfs/dbraw/zinc/07/49/77/986074977.db2.gz MNGJQNQZYWPBFS-XQBPLPMBSA-N 2 1 415.603 3.641 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000463112855 986074989 /nfs/dbraw/zinc/07/49/89/986074989.db2.gz MNGJQNQZYWPBFS-XQBPLPMBSA-N 2 1 415.603 3.641 20 0 HHADMP COc1cc2c(cc1OC)CN(CC[NH2+][C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC000463115169 986078724 /nfs/dbraw/zinc/07/87/24/986078724.db2.gz KKKCSNDYGXHOKD-HYBUGGRVSA-N 2 1 423.601 3.705 20 0 HHADMP COc1cc2c(cc1OC)CN(CC[NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC000463115169 986078737 /nfs/dbraw/zinc/07/87/37/986078737.db2.gz KKKCSNDYGXHOKD-HYBUGGRVSA-N 2 1 423.601 3.705 20 0 HHADMP C[C@H]1C[C@@H]([NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463142301 986111331 /nfs/dbraw/zinc/11/13/31/986111331.db2.gz PUHLOLUJQDJAKF-OFVILXPXSA-N 2 1 420.601 3.732 20 0 HHADMP C[C@H]1C[C@@H]([NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463142301 986111332 /nfs/dbraw/zinc/11/13/32/986111332.db2.gz PUHLOLUJQDJAKF-OFVILXPXSA-N 2 1 420.601 3.732 20 0 HHADMP COc1ccc(CC[C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000468425661 986124287 /nfs/dbraw/zinc/12/42/87/986124287.db2.gz AMPGADYPSLOOGJ-WMZHIEFXSA-N 2 1 409.574 3.503 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@H]1CCCc2sccc21 ZINC000468465544 986158809 /nfs/dbraw/zinc/15/88/09/986158809.db2.gz DPAVBXHQDTUNDB-NRFANRHFSA-N 2 1 418.651 3.963 20 0 HHADMP COc1cc(CN2CC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)cc(OC)c1 ZINC000463202800 986174680 /nfs/dbraw/zinc/17/46/80/986174680.db2.gz BQSQYWZBALCSJC-HUVFLSCGSA-N 2 1 423.601 3.921 20 0 HHADMP COc1cc(CN2CC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)cc(OC)c1 ZINC000463202800 986174688 /nfs/dbraw/zinc/17/46/88/986174688.db2.gz BQSQYWZBALCSJC-HUVFLSCGSA-N 2 1 423.601 3.921 20 0 HHADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCN(c4c(F)cccc4F)C3)CC2)cc1 ZINC000463203993 986176210 /nfs/dbraw/zinc/17/62/10/986176210.db2.gz HLUKNAXMUWSZEP-HXUWFJFHSA-N 2 1 403.492 3.979 20 0 HHADMP OC[C@@]1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C[C@H]1c1ccc(F)cc1 ZINC000463234890 986202830 /nfs/dbraw/zinc/20/28/30/986202830.db2.gz BMHFVZMDSFTDGY-ZEQRLZLVSA-N 2 1 400.513 3.728 20 0 HHADMP OC[C@]1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C[C@H]1c1ccc(F)cc1 ZINC000463234883 986202956 /nfs/dbraw/zinc/20/29/56/986202956.db2.gz BMHFVZMDSFTDGY-BJKOFHAPSA-N 2 1 400.513 3.728 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)c1 ZINC000468511529 986212582 /nfs/dbraw/zinc/21/25/82/986212582.db2.gz NAQMBFXJSKYFFO-UKILVPOCSA-N 2 1 421.585 3.848 20 0 HHADMP C[C@@H]1C[C@@H](NC[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000463244830 986212984 /nfs/dbraw/zinc/21/29/84/986212984.db2.gz YZRHPLGTLMCMEI-ZSQFBXSQSA-N 2 1 407.602 3.920 20 0 HHADMP C[C@@H]1C[C@@H](NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC[NH+]1Cc1ccccc1 ZINC000463244830 986212993 /nfs/dbraw/zinc/21/29/93/986212993.db2.gz YZRHPLGTLMCMEI-ZSQFBXSQSA-N 2 1 407.602 3.920 20 0 HHADMP C[C@@H]1C[C@@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC[NH+]1Cc1ccccc1 ZINC000463244830 986212999 /nfs/dbraw/zinc/21/29/99/986212999.db2.gz YZRHPLGTLMCMEI-ZSQFBXSQSA-N 2 1 407.602 3.920 20 0 HHADMP O[C@]1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCC[C@@H](C(F)(F)F)C1 ZINC000463277676 986244602 /nfs/dbraw/zinc/24/46/02/986244602.db2.gz TXPVGDHGYMZMQH-YLJYHZDGSA-N 2 1 402.476 3.906 20 0 HHADMP O[C@@]1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCC[C@@H](C(F)(F)F)C1 ZINC000463277675 986244730 /nfs/dbraw/zinc/24/47/30/986244730.db2.gz TXPVGDHGYMZMQH-XLIONFOSSA-N 2 1 402.476 3.906 20 0 HHADMP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000468553294 986258803 /nfs/dbraw/zinc/25/88/03/986258803.db2.gz KYSNQVXFUYSATI-MBSDFSHPSA-N 2 1 404.501 3.836 20 0 HHADMP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000468553294 986258810 /nfs/dbraw/zinc/25/88/10/986258810.db2.gz KYSNQVXFUYSATI-MBSDFSHPSA-N 2 1 404.501 3.836 20 0 HHADMP CN1CCN(c2ncc(C[N@H+]3CCC[C@@H](Cc4csc5ccccc45)C3)cn2)CC1 ZINC000468686335 986397776 /nfs/dbraw/zinc/39/77/76/986397776.db2.gz VFRUXVLTMVVOOP-IBGZPJMESA-N 2 1 421.614 3.898 20 0 HHADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H](Cc4csc5ccccc45)C3)cn2)CC1 ZINC000468686335 986397791 /nfs/dbraw/zinc/39/77/91/986397791.db2.gz VFRUXVLTMVVOOP-IBGZPJMESA-N 2 1 421.614 3.898 20 0 HHADMP C[C@H]1CCc2c(sc3nc(CC[N@@H+]4CC[C@@H](C[NH+]5CCCCC5)C4)nc(N)c23)C1 ZINC000444218793 986402927 /nfs/dbraw/zinc/40/29/27/986402927.db2.gz VYGVHJMKWZGRKD-IRXDYDNUSA-N 2 1 413.635 3.749 20 0 HHADMP C[C@H]1CCc2c(sc3nc(CC[N@H+]4CC[C@@H](C[NH+]5CCCCC5)C4)nc(N)c23)C1 ZINC000444218793 986402932 /nfs/dbraw/zinc/40/29/32/986402932.db2.gz VYGVHJMKWZGRKD-IRXDYDNUSA-N 2 1 413.635 3.749 20 0 HHADMP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000468710225 986424809 /nfs/dbraw/zinc/42/48/09/986424809.db2.gz RNDLNRAGSQFOEP-QFIPXVFZSA-N 2 1 408.546 3.570 20 0 HHADMP CC[C@H]1CCCC[C@H]1OCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000463567042 986543965 /nfs/dbraw/zinc/54/39/65/986543965.db2.gz DNJIRFAWRFWPKA-JTHBVZDNSA-N 2 1 407.643 3.627 20 0 HHADMP O=C(c1cnn(-c2cc[nH+]cc2)c1C(F)F)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000468862770 986571729 /nfs/dbraw/zinc/57/17/29/986571729.db2.gz FMNCDMBDJIODKH-KRWDZBQOSA-N 2 1 417.504 3.933 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2cc(C(F)(F)F)ccc2n1C ZINC000463628483 986604198 /nfs/dbraw/zinc/60/41/98/986604198.db2.gz LKFSSCZGOILXEL-GOSISDBHSA-N 2 1 424.511 3.685 20 0 HHADMP Cc1cc(NC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n(C2CC[NH+](C)CC2)n1 ZINC000444432395 986618238 /nfs/dbraw/zinc/61/82/38/986618238.db2.gz NTWUVYJZXQQPMI-QGZVFWFLSA-N 2 1 421.549 3.835 20 0 HHADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)N2CCc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000444598091 986785315 /nfs/dbraw/zinc/78/53/15/986785315.db2.gz OKKGEZUIGBAZIS-SQJMNOBHSA-N 2 1 405.586 3.946 20 0 HHADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)N2CCc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000444598091 986785326 /nfs/dbraw/zinc/78/53/26/986785326.db2.gz OKKGEZUIGBAZIS-SQJMNOBHSA-N 2 1 405.586 3.946 20 0 HHADMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)N2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000444598091 986785333 /nfs/dbraw/zinc/78/53/33/986785333.db2.gz OKKGEZUIGBAZIS-SQJMNOBHSA-N 2 1 405.586 3.946 20 0 HHADMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)N2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000444598091 986785343 /nfs/dbraw/zinc/78/53/43/986785343.db2.gz OKKGEZUIGBAZIS-SQJMNOBHSA-N 2 1 405.586 3.946 20 0 HHADMP CC1(C)C[C@H]([NH2+]CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C(C)(C)O1 ZINC000444642626 986828537 /nfs/dbraw/zinc/82/85/37/986828537.db2.gz ITXWGTJCYXVWLX-OALUTQOASA-N 2 1 407.986 3.529 20 0 HHADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000469176081 986900779 /nfs/dbraw/zinc/90/07/79/986900779.db2.gz XLJIIMCPMIKXHH-KCZVDYSFSA-N 2 1 409.574 3.976 20 0 HHADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000469176081 986900785 /nfs/dbraw/zinc/90/07/85/986900785.db2.gz XLJIIMCPMIKXHH-KCZVDYSFSA-N 2 1 409.574 3.976 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000469201568 986925759 /nfs/dbraw/zinc/92/57/59/986925759.db2.gz SGGTVNRXUCWJIK-GASCZTMLSA-N 2 1 405.493 3.691 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000469201568 986925772 /nfs/dbraw/zinc/92/57/72/986925772.db2.gz SGGTVNRXUCWJIK-GASCZTMLSA-N 2 1 405.493 3.691 20 0 HHADMP O=C1[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCCN1Cc1ccc(F)cc1F ZINC000469211812 986934426 /nfs/dbraw/zinc/93/44/26/986934426.db2.gz HRPJSGNCZVBOKG-QFIPXVFZSA-N 2 1 405.533 3.843 20 0 HHADMP C[C@@H]1CN(C(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)CC[N@H+]1CC(C)(C)O ZINC000444797583 986952928 /nfs/dbraw/zinc/95/29/28/986952928.db2.gz DCKHRDMMJYKJLN-LJQANCHMSA-N 2 1 416.610 3.760 20 0 HHADMP C[C@@H]1CN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC[NH+]1CC(C)(C)O ZINC000444797583 986952939 /nfs/dbraw/zinc/95/29/39/986952939.db2.gz DCKHRDMMJYKJLN-LJQANCHMSA-N 2 1 416.610 3.760 20 0 HHADMP C[C@@H]1CN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC[NH+]1CC(C)(C)O ZINC000444797583 986952950 /nfs/dbraw/zinc/95/29/50/986952950.db2.gz DCKHRDMMJYKJLN-LJQANCHMSA-N 2 1 416.610 3.760 20 0 HHADMP CC[N@H+]1CC[C@H]([NH2+]CCSCCOc2cccc(Br)c2)[C@@H](C)C1 ZINC000469309747 987021949 /nfs/dbraw/zinc/02/19/49/987021949.db2.gz ZLOVZUOFURIAGC-YJBOKZPZSA-N 2 1 401.414 3.881 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C[N@@H+]1Cc1ccccc1 ZINC000469580789 987247057 /nfs/dbraw/zinc/24/70/57/987247057.db2.gz OMJHAHMQBVHKAC-WBVHZDCISA-N 2 1 411.456 3.598 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C[N@H+]1Cc1ccccc1 ZINC000469580789 987247059 /nfs/dbraw/zinc/24/70/59/987247059.db2.gz OMJHAHMQBVHKAC-WBVHZDCISA-N 2 1 411.456 3.598 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCN1Cc1ccccc1 ZINC000469736518 987386633 /nfs/dbraw/zinc/38/66/33/987386633.db2.gz MESFYNUAMPYQQR-DEOSSOPVSA-N 2 1 403.526 3.802 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCN1Cc1ccccc1 ZINC000469736518 987386640 /nfs/dbraw/zinc/38/66/40/987386640.db2.gz MESFYNUAMPYQQR-DEOSSOPVSA-N 2 1 403.526 3.802 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCC1(c2ccccc2)CC1 ZINC000469758328 987411806 /nfs/dbraw/zinc/41/18/06/987411806.db2.gz QJRXNRANFPAOSX-ZZYHAFTGSA-N 2 1 405.586 3.581 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCC1(c2ccccc2)CC1 ZINC000469758328 987411813 /nfs/dbraw/zinc/41/18/13/987411813.db2.gz QJRXNRANFPAOSX-ZZYHAFTGSA-N 2 1 405.586 3.581 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NCC1(c2ccccc2)CC1 ZINC000469758326 987411930 /nfs/dbraw/zinc/41/19/30/987411930.db2.gz QJRXNRANFPAOSX-NHCUHLMSSA-N 2 1 405.586 3.581 20 0 HHADMP CCOc1ccc(CN(C)C(=O)C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000469759840 987413543 /nfs/dbraw/zinc/41/35/43/987413543.db2.gz DSUMRNVMPVBTPA-SFTDATJTSA-N 2 1 423.601 3.790 20 0 HHADMP CCCOc1cccc(CNC(=O)C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000469764611 987417351 /nfs/dbraw/zinc/41/73/51/987417351.db2.gz OYNADRMIDWSRCF-SFTDATJTSA-N 2 1 423.601 3.838 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NCCc1ccc(Cl)cc1 ZINC000469783323 987429879 /nfs/dbraw/zinc/42/98/79/987429879.db2.gz LYGPGLOTTPTXMI-RTBURBONSA-N 2 1 413.993 3.745 20 0 HHADMP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000469979884 987597060 /nfs/dbraw/zinc/59/70/60/987597060.db2.gz BHQAXCPWUMEHHR-VWLOTQADSA-N 2 1 421.585 3.832 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)c1ccco1 ZINC000470154590 988064090 /nfs/dbraw/zinc/06/40/90/988064090.db2.gz IXSPWMQRYDEUAC-IAGOWNOFSA-N 2 1 412.456 3.503 20 0 HHADMP C[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000463956192 988068505 /nfs/dbraw/zinc/06/85/05/988068505.db2.gz XQOXNINHYXFBQB-UYAOXDASSA-N 2 1 400.592 3.657 20 0 HHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470282845 988238372 /nfs/dbraw/zinc/23/83/72/988238372.db2.gz LKCSQHPANUWOLL-XZOQPEGZSA-N 2 1 400.611 3.516 20 0 HHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470282845 988238376 /nfs/dbraw/zinc/23/83/76/988238376.db2.gz LKCSQHPANUWOLL-XZOQPEGZSA-N 2 1 400.611 3.516 20 0 HHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470282845 988238380 /nfs/dbraw/zinc/23/83/80/988238380.db2.gz LKCSQHPANUWOLL-XZOQPEGZSA-N 2 1 400.611 3.516 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1 ZINC000470287013 988243991 /nfs/dbraw/zinc/24/39/91/988243991.db2.gz XUNASMJNLPZOTK-VQIMIIECSA-N 2 1 414.516 3.585 20 0 HHADMP C[C@H](CNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000470729918 988760064 /nfs/dbraw/zinc/76/00/64/988760064.db2.gz MOPQXDJQIWHZPT-PXDATVDWSA-N 2 1 420.601 3.739 20 0 HHADMP C[C@H](CNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000470729918 988760071 /nfs/dbraw/zinc/76/00/71/988760071.db2.gz MOPQXDJQIWHZPT-PXDATVDWSA-N 2 1 420.601 3.739 20 0 HHADMP C[C@H](CNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000470729918 988760076 /nfs/dbraw/zinc/76/00/76/988760076.db2.gz MOPQXDJQIWHZPT-PXDATVDWSA-N 2 1 420.601 3.739 20 0 HHADMP CN(C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470731628 988763302 /nfs/dbraw/zinc/76/33/02/988763302.db2.gz FQOFEPLUKWGKBH-PKTZIBPZSA-N 2 1 412.553 3.734 20 0 HHADMP CC1CC[NH+]([C@@H](CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c2ccccc2)CC1 ZINC000470733276 988766469 /nfs/dbraw/zinc/76/64/69/988766469.db2.gz QPMQQRLVRWOVKC-UPVQGACJSA-N 2 1 412.622 3.833 20 0 HHADMP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c2ccccc2)CC1 ZINC000470733275 988766617 /nfs/dbraw/zinc/76/66/17/988766617.db2.gz QPMQQRLVRWOVKC-LADGPHEKSA-N 2 1 412.622 3.833 20 0 HHADMP Cc1cc(N2CCC[C@H]([NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)C2=O)ccc1Br ZINC000464686529 988892756 /nfs/dbraw/zinc/89/27/56/988892756.db2.gz CTOVHSFWYXLRBA-UXPWSPDFSA-N 2 1 420.395 3.669 20 0 HHADMP Cc1cc(N2CCC[C@H]([NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)C2=O)ccc1Br ZINC000464686529 988892770 /nfs/dbraw/zinc/89/27/70/988892770.db2.gz CTOVHSFWYXLRBA-UXPWSPDFSA-N 2 1 420.395 3.669 20 0 HHADMP Cc1cc(N2CCC[C@H]([N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)C2=O)ccc1Br ZINC000464686529 988892785 /nfs/dbraw/zinc/89/27/85/988892785.db2.gz CTOVHSFWYXLRBA-UXPWSPDFSA-N 2 1 420.395 3.669 20 0 HHADMP Cc1cc(N2CCC[C@H]([N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)C2=O)ccc1Br ZINC000464686529 988892801 /nfs/dbraw/zinc/89/28/01/988892801.db2.gz CTOVHSFWYXLRBA-UXPWSPDFSA-N 2 1 420.395 3.669 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000470883090 988954090 /nfs/dbraw/zinc/95/40/90/988954090.db2.gz ICBIZPJHKJKPHJ-HXUWFJFHSA-N 2 1 410.562 3.539 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000470883090 988954095 /nfs/dbraw/zinc/95/40/95/988954095.db2.gz ICBIZPJHKJKPHJ-HXUWFJFHSA-N 2 1 410.562 3.539 20 0 HHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000464769924 988993536 /nfs/dbraw/zinc/99/35/36/988993536.db2.gz BFMRBAMKOUIXLZ-AWEZNQCLSA-N 2 1 400.336 3.581 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCC[C@H](C)C2)C1 ZINC000464824054 989061444 /nfs/dbraw/zinc/06/14/44/989061444.db2.gz SCFQOOYARLLSLM-LEWJYISDSA-N 2 1 400.611 3.696 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000464824054 989061460 /nfs/dbraw/zinc/06/14/60/989061460.db2.gz SCFQOOYARLLSLM-LEWJYISDSA-N 2 1 400.611 3.696 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)C1 ZINC000464824054 989061470 /nfs/dbraw/zinc/06/14/70/989061470.db2.gz SCFQOOYARLLSLM-LEWJYISDSA-N 2 1 400.611 3.696 20 0 HHADMP O[C@@H](CO[C@@H]1CCCc2ccccc21)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471007018 989075100 /nfs/dbraw/zinc/07/51/00/989075100.db2.gz LOTDMNXHHAXPJB-OUJSJNLKSA-N 2 1 406.570 3.505 20 0 HHADMP O[C@@H](CO[C@@H]1CCCc2ccccc21)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471007018 989075107 /nfs/dbraw/zinc/07/51/07/989075107.db2.gz LOTDMNXHHAXPJB-OUJSJNLKSA-N 2 1 406.570 3.505 20 0 HHADMP O[C@@H](CO[C@@H]1CCCc2ccccc21)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471007018 989075111 /nfs/dbraw/zinc/07/51/11/989075111.db2.gz LOTDMNXHHAXPJB-OUJSJNLKSA-N 2 1 406.570 3.505 20 0 HHADMP c1c[nH]c([C@@H]2CCC[NH+](Cc3ccc(C[N@H+]4CCC[C@H](c5ncc[nH]5)C4)cc3)C2)n1 ZINC000471178861 989309230 /nfs/dbraw/zinc/30/92/30/989309230.db2.gz PSDWFNIPYXXYMX-SZPZYZBQSA-N 2 1 404.562 3.892 20 0 HHADMP c1c[nH]c([C@@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCC[C@H](c5ncc[nH]5)C4)cc3)C2)n1 ZINC000471178861 989309238 /nfs/dbraw/zinc/30/92/38/989309238.db2.gz PSDWFNIPYXXYMX-SZPZYZBQSA-N 2 1 404.562 3.892 20 0 HHADMP c1c[nH]c([C@@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCC[C@H](c5ncc[nH]5)C4)cc3)C2)n1 ZINC000471178861 989309252 /nfs/dbraw/zinc/30/92/52/989309252.db2.gz PSDWFNIPYXXYMX-SZPZYZBQSA-N 2 1 404.562 3.892 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)C1 ZINC000465076501 989396031 /nfs/dbraw/zinc/39/60/31/989396031.db2.gz MVNYTNZXJDUTPQ-HSZRJFAPSA-N 2 1 400.611 3.518 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000465076501 989396037 /nfs/dbraw/zinc/39/60/37/989396037.db2.gz MVNYTNZXJDUTPQ-HSZRJFAPSA-N 2 1 400.611 3.518 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000465076501 989396046 /nfs/dbraw/zinc/39/60/46/989396046.db2.gz MVNYTNZXJDUTPQ-HSZRJFAPSA-N 2 1 400.611 3.518 20 0 HHADMP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471509104 989707250 /nfs/dbraw/zinc/70/72/50/989707250.db2.gz ZBFKXVUNPNFPNA-RTWAWAEBSA-N 2 1 412.603 3.706 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1)c1ccccc1 ZINC000465428195 989772744 /nfs/dbraw/zinc/77/27/44/989772744.db2.gz URZGKKMQKYUFJZ-QFIPXVFZSA-N 2 1 409.578 3.741 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465429442 989774446 /nfs/dbraw/zinc/77/44/46/989774446.db2.gz NSHROEFOTLANPM-DQEYMECFSA-N 2 1 420.601 3.815 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000465429442 989774451 /nfs/dbraw/zinc/77/44/51/989774451.db2.gz NSHROEFOTLANPM-DQEYMECFSA-N 2 1 420.601 3.815 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000465429442 989774464 /nfs/dbraw/zinc/77/44/64/989774464.db2.gz NSHROEFOTLANPM-DQEYMECFSA-N 2 1 420.601 3.815 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000465437835 989783261 /nfs/dbraw/zinc/78/32/61/989783261.db2.gz HNAATCGNIXEMLS-UKILVPOCSA-N 2 1 420.601 3.987 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000465457588 989797340 /nfs/dbraw/zinc/79/73/40/989797340.db2.gz XCYXDKICLUCPHI-LADGPHEKSA-N 2 1 408.590 3.843 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000471601969 989806296 /nfs/dbraw/zinc/80/62/96/989806296.db2.gz AFZACWWKHCJZST-IVMQYODDSA-N 2 1 418.548 3.746 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000465524059 989878210 /nfs/dbraw/zinc/87/82/10/989878210.db2.gz CYNPSSUXZVUDNX-GGAORHGYSA-N 2 1 400.611 3.660 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000465523984 989878433 /nfs/dbraw/zinc/87/84/33/989878433.db2.gz COEVGSIENFWGIU-HSZRJFAPSA-N 2 1 420.601 3.598 20 0 HHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000465523984 989878440 /nfs/dbraw/zinc/87/84/40/989878440.db2.gz COEVGSIENFWGIU-HSZRJFAPSA-N 2 1 420.601 3.598 20 0 HHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000465523984 989878445 /nfs/dbraw/zinc/87/84/45/989878445.db2.gz COEVGSIENFWGIU-HSZRJFAPSA-N 2 1 420.601 3.598 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N(C)[C@@H]3CC[NH+](C)[C@@H](C)C3)cc2)C1 ZINC000465530048 989890123 /nfs/dbraw/zinc/89/01/23/989890123.db2.gz YITVVNSSZFLXNV-FAKFISEUSA-N 2 1 400.611 3.789 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2)C1 ZINC000465530048 989890133 /nfs/dbraw/zinc/89/01/33/989890133.db2.gz YITVVNSSZFLXNV-FAKFISEUSA-N 2 1 400.611 3.789 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)C1 ZINC000465530048 989890140 /nfs/dbraw/zinc/89/01/40/989890140.db2.gz YITVVNSSZFLXNV-FAKFISEUSA-N 2 1 400.611 3.789 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000465594588 989975280 /nfs/dbraw/zinc/97/52/80/989975280.db2.gz HNYIWYFDXGBOIL-FGZHOGPDSA-N 2 1 422.598 3.503 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000465594588 989975289 /nfs/dbraw/zinc/97/52/89/989975289.db2.gz HNYIWYFDXGBOIL-FGZHOGPDSA-N 2 1 422.598 3.503 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)C1 ZINC000465695388 990081701 /nfs/dbraw/zinc/08/17/01/990081701.db2.gz SCDACMSVAAFIER-UNMCSNQZSA-N 2 1 416.610 3.596 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000465730122 990115402 /nfs/dbraw/zinc/11/54/02/990115402.db2.gz YHAWLHFFCPUZQQ-MOPGFXCFSA-N 2 1 414.516 3.738 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)[NH+](C)C)cc1 ZINC000465814224 990197473 /nfs/dbraw/zinc/19/74/73/990197473.db2.gz MCZJROCUIXGTTD-ZJSXRUAMSA-N 2 1 408.590 3.904 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)c1 ZINC000465820821 990203980 /nfs/dbraw/zinc/20/39/80/990203980.db2.gz XESRFVDXNRCQNA-OAQYLSRUSA-N 2 1 408.590 3.944 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1 ZINC000465820821 990203988 /nfs/dbraw/zinc/20/39/88/990203988.db2.gz XESRFVDXNRCQNA-OAQYLSRUSA-N 2 1 408.590 3.944 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC000465820821 990203995 /nfs/dbraw/zinc/20/39/95/990203995.db2.gz XESRFVDXNRCQNA-OAQYLSRUSA-N 2 1 408.590 3.944 20 0 HHADMP CCSc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000465890206 991014725 /nfs/dbraw/zinc/01/47/25/991014725.db2.gz NERAMWYMTCSGDH-ICSRJNTNSA-N 2 1 406.640 3.917 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N(C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)[nH+]1 ZINC000465993358 991155819 /nfs/dbraw/zinc/15/58/19/991155819.db2.gz XEIPUUQRXUJLGT-QFIPXVFZSA-N 2 1 421.589 3.522 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N(C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)[nH+]1 ZINC000465993358 991155824 /nfs/dbraw/zinc/15/58/24/991155824.db2.gz XEIPUUQRXUJLGT-QFIPXVFZSA-N 2 1 421.589 3.522 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)o1 ZINC000466070829 991242964 /nfs/dbraw/zinc/24/29/64/991242964.db2.gz AFVHFAJPTNEXAO-WIYYLYMNSA-N 2 1 418.607 3.806 20 0 HHADMP C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1cccs1 ZINC000466080571 991257122 /nfs/dbraw/zinc/25/71/22/991257122.db2.gz RNHGOROGTWWALF-UNMCSNQZSA-N 2 1 412.603 3.658 20 0 HHADMP C[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1cccs1 ZINC000466080571 991257133 /nfs/dbraw/zinc/25/71/33/991257133.db2.gz RNHGOROGTWWALF-UNMCSNQZSA-N 2 1 412.603 3.658 20 0 HHADMP C[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000466080568 991257189 /nfs/dbraw/zinc/25/71/89/991257189.db2.gz RNHGOROGTWWALF-IFMALSPDSA-N 2 1 412.603 3.658 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000466080568 991257194 /nfs/dbraw/zinc/25/71/94/991257194.db2.gz RNHGOROGTWWALF-IFMALSPDSA-N 2 1 412.603 3.658 20 0 HHADMP C[NH+](C)CCOc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000466097557 991276785 /nfs/dbraw/zinc/27/67/85/991276785.db2.gz HKDAGUGSKXQCMS-UWJYYQICSA-N 2 1 416.591 3.893 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CCC[NH+](C3CCCC3)CC2)[C@@H]1c1cccs1 ZINC000466107345 991284450 /nfs/dbraw/zinc/28/44/50/991284450.db2.gz URUHQIRRRIBFAU-WIYYLYMNSA-N 2 1 404.624 3.791 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)[C@@H]1c1cccs1 ZINC000466107345 991284454 /nfs/dbraw/zinc/28/44/54/991284454.db2.gz URUHQIRRRIBFAU-WIYYLYMNSA-N 2 1 404.624 3.791 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)[C@@H]1c1cccs1 ZINC000466107345 991284459 /nfs/dbraw/zinc/28/44/59/991284459.db2.gz URUHQIRRRIBFAU-WIYYLYMNSA-N 2 1 404.624 3.791 20 0 HHADMP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000466224016 991443852 /nfs/dbraw/zinc/44/38/52/991443852.db2.gz YRHPQBYZZKGBLS-OFVILXPXSA-N 2 1 420.601 3.656 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCOc3ccc(OC(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000466728360 992038642 /nfs/dbraw/zinc/03/86/42/992038642.db2.gz IINMJJVFZAUDBX-CALCHBBNSA-N 2 1 416.484 3.785 20 0 HHADMP CCC[N@H+](Cc1cc(-c2cnn(C)c2C)no1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000466820697 992128292 /nfs/dbraw/zinc/12/82/92/992128292.db2.gz BQOFQYAMICLSKP-UHFFFAOYSA-N 2 1 423.565 3.671 20 0 HHADMP CCC[N@@H+](Cc1cc(-c2cnn(C)c2C)no1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000466820697 992128304 /nfs/dbraw/zinc/12/83/04/992128304.db2.gz BQOFQYAMICLSKP-UHFFFAOYSA-N 2 1 423.565 3.671 20 0 HHADMP Cc1cc(-c2noc([C@@H](C)[NH+]3CCC(OCC[NH+]4CCCC4)CC3)n2)ccc1F ZINC000466935389 992246579 /nfs/dbraw/zinc/24/65/79/992246579.db2.gz UNMVZXAPOGTOCU-QGZVFWFLSA-N 2 1 402.514 3.822 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1 ZINC000466967638 992278666 /nfs/dbraw/zinc/27/86/66/992278666.db2.gz PMPUAADHQSBPBY-GOSISDBHSA-N 2 1 405.546 3.845 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000467096141 992401597 /nfs/dbraw/zinc/40/15/97/992401597.db2.gz XJVHMWYDBDQZAF-OAQYLSRUSA-N 2 1 408.590 3.597 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000467098509 992404417 /nfs/dbraw/zinc/40/44/17/992404417.db2.gz BEJLCWIAOBCZFF-NFBKMPQASA-N 2 1 400.611 3.587 20 0 HHADMP C[NH+](C)CCc1ccc(CNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1 ZINC000467101138 992408514 /nfs/dbraw/zinc/40/85/14/992408514.db2.gz OHLDQAADYATNSN-UHFFFAOYSA-N 2 1 400.611 3.588 20 0 HHADMP CC(C)(C)[C@@H](NC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1cccs1 ZINC000467207570 992532275 /nfs/dbraw/zinc/53/22/75/992532275.db2.gz OPZRKMSVOIOSQV-NRFANRHFSA-N 2 1 407.624 3.528 20 0 HHADMP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000467215440 992539669 /nfs/dbraw/zinc/53/96/69/992539669.db2.gz SPNIEODFNGZUTC-IBGZPJMESA-N 2 1 413.562 3.529 20 0 HHADMP C[NH+](C)Cc1ccc(NC2CC[NH+](Cc3ccccn3)CC2)cc1Br ZINC000467383163 992699013 /nfs/dbraw/zinc/69/90/13/992699013.db2.gz RSLDMPPRHDTHCL-UHFFFAOYSA-N 2 1 403.368 3.982 20 0 HHADMP C[C@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C[N@H+]1Cc1ccccc1 ZINC000467690240 992945928 /nfs/dbraw/zinc/94/59/28/992945928.db2.gz CNFIYPVAQZIHAK-CVDCTZTESA-N 2 1 409.599 3.628 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)C[N@H+]1Cc1ccccc1 ZINC000467691247 992947826 /nfs/dbraw/zinc/94/78/26/992947826.db2.gz ANTOFPLSJBYRIB-QTDDQOEGSA-N 2 1 421.585 3.689 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C[N@H+]1Cc1ccccc1 ZINC000467691247 992947841 /nfs/dbraw/zinc/94/78/41/992947841.db2.gz ANTOFPLSJBYRIB-QTDDQOEGSA-N 2 1 421.585 3.689 20 0 HHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467842954 993075091 /nfs/dbraw/zinc/07/50/91/993075091.db2.gz FYPNTAOVVUYKGT-ROUUACIJSA-N 2 1 421.632 3.561 20 0 HHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467842954 993075095 /nfs/dbraw/zinc/07/50/95/993075095.db2.gz FYPNTAOVVUYKGT-ROUUACIJSA-N 2 1 421.632 3.561 20 0 HHADMP CCN(CCC[NH+]1CCCC1)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000472094597 993144105 /nfs/dbraw/zinc/14/41/05/993144105.db2.gz MMMLJBYDAPEIQA-NRFANRHFSA-N 2 1 400.611 3.936 20 0 HHADMP CCN(CCC[NH+](CC)CC)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000472115719 993167150 /nfs/dbraw/zinc/16/71/50/993167150.db2.gz QPGIOZZNAUJNLB-UHFFFAOYSA-N 2 1 410.553 3.693 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000472304410 993316888 /nfs/dbraw/zinc/31/68/88/993316888.db2.gz GJGZFYWZYGESIY-XMMPIXPASA-N 2 1 412.622 3.806 20 0 HHADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000472373215 993370270 /nfs/dbraw/zinc/37/02/70/993370270.db2.gz DHTCUGNMXYXXIC-QHCPKHFHSA-N 2 1 424.564 3.565 20 0 HHADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000472373215 993370272 /nfs/dbraw/zinc/37/02/72/993370272.db2.gz DHTCUGNMXYXXIC-QHCPKHFHSA-N 2 1 424.564 3.565 20 0 HHADMP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000472373215 993370274 /nfs/dbraw/zinc/37/02/74/993370274.db2.gz DHTCUGNMXYXXIC-QHCPKHFHSA-N 2 1 424.564 3.565 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000472373215 993370280 /nfs/dbraw/zinc/37/02/80/993370280.db2.gz DHTCUGNMXYXXIC-QHCPKHFHSA-N 2 1 424.564 3.565 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480740844 993607635 /nfs/dbraw/zinc/60/76/35/993607635.db2.gz QIICOEVYXFXFLT-VLCRHTCISA-N 2 1 419.635 3.965 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480740844 993607640 /nfs/dbraw/zinc/60/76/40/993607640.db2.gz QIICOEVYXFXFLT-VLCRHTCISA-N 2 1 419.635 3.965 20 0 HHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000480772168 993637425 /nfs/dbraw/zinc/63/74/25/993637425.db2.gz PZYUTTLQTQCOAX-LJQANCHMSA-N 2 1 410.400 3.670 20 0 HHADMP CCc1ccc([C@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)s1 ZINC000480888153 993749276 /nfs/dbraw/zinc/74/92/76/993749276.db2.gz WJICERSCMSXDRR-KRWDZBQOSA-N 2 1 401.576 3.822 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccc2c(c1)CCC2 ZINC000480906341 993762468 /nfs/dbraw/zinc/76/24/68/993762468.db2.gz IEVQZVWTAFOLNM-IBGZPJMESA-N 2 1 407.558 3.687 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000481168569 993999387 /nfs/dbraw/zinc/99/93/87/993999387.db2.gz MOBLXNJEJZPAGY-QFBILLFUSA-N 2 1 405.995 3.860 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000481168569 993999393 /nfs/dbraw/zinc/99/93/93/993999393.db2.gz MOBLXNJEJZPAGY-QFBILLFUSA-N 2 1 405.995 3.860 20 0 HHADMP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481173726 994003904 /nfs/dbraw/zinc/00/39/04/994003904.db2.gz JTMHWPNQCNGQDJ-PMAPCBKXSA-N 2 1 415.528 3.984 20 0 HHADMP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481173726 994003916 /nfs/dbraw/zinc/00/39/16/994003916.db2.gz JTMHWPNQCNGQDJ-PMAPCBKXSA-N 2 1 415.528 3.984 20 0 HHADMP CC(C)OCc1ccc(CNC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481182285 994012618 /nfs/dbraw/zinc/01/26/18/994012618.db2.gz XRQLAEXAQFAIJE-BWKNWUBXSA-N 2 1 423.601 3.728 20 0 HHADMP CC(C)OCc1ccc(CNC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481182285 994012621 /nfs/dbraw/zinc/01/26/21/994012621.db2.gz XRQLAEXAQFAIJE-BWKNWUBXSA-N 2 1 423.601 3.728 20 0 HHADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481188133 994020436 /nfs/dbraw/zinc/02/04/36/994020436.db2.gz HKMUWUFPZVYELM-IXFSTUDKSA-N 2 1 415.528 3.512 20 0 HHADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481188133 994020445 /nfs/dbraw/zinc/02/04/45/994020445.db2.gz HKMUWUFPZVYELM-IXFSTUDKSA-N 2 1 415.528 3.512 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000481198587 994033031 /nfs/dbraw/zinc/03/30/31/994033031.db2.gz OIJNYVVUMWBPCD-CVDCTZTESA-N 2 1 416.569 3.553 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000481198587 994033038 /nfs/dbraw/zinc/03/30/38/994033038.db2.gz OIJNYVVUMWBPCD-CVDCTZTESA-N 2 1 416.569 3.553 20 0 HHADMP COc1ccc(CN(C(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C2CC2)cc1 ZINC000481200364 994034741 /nfs/dbraw/zinc/03/47/41/994034741.db2.gz QGVQDOUKMXYONJ-NLFFAJNJSA-N 2 1 421.585 3.686 20 0 HHADMP COc1ccc(CN(C(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C2CC2)cc1 ZINC000481200364 994034753 /nfs/dbraw/zinc/03/47/53/994034753.db2.gz QGVQDOUKMXYONJ-NLFFAJNJSA-N 2 1 421.585 3.686 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000481200948 994034850 /nfs/dbraw/zinc/03/48/50/994034850.db2.gz QSRBRXJEAZSEMW-YLJYHZDGSA-N 2 1 423.479 3.671 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000481200948 994034859 /nfs/dbraw/zinc/03/48/59/994034859.db2.gz QSRBRXJEAZSEMW-YLJYHZDGSA-N 2 1 423.479 3.671 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000481209758 994042537 /nfs/dbraw/zinc/04/25/37/994042537.db2.gz PGLWTNSVYRICDX-YNJKOYDBSA-N 2 1 411.565 3.699 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)[C@H](C)C1 ZINC000481306995 994123450 /nfs/dbraw/zinc/12/34/50/994123450.db2.gz NASGJIDKDTTWNS-WZONZLPQSA-N 2 1 409.565 3.656 20 0 HHADMP CC[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000473369654 994229754 /nfs/dbraw/zinc/22/97/54/994229754.db2.gz DPFWHXVUDNORLR-RPBOFIJWSA-N 2 1 421.585 3.692 20 0 HHADMP CC[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000473369654 994229770 /nfs/dbraw/zinc/22/97/70/994229770.db2.gz DPFWHXVUDNORLR-RPBOFIJWSA-N 2 1 421.585 3.692 20 0 HHADMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000481443041 994279400 /nfs/dbraw/zinc/27/94/00/994279400.db2.gz XXFGNKUZEIRXPX-GOSISDBHSA-N 2 1 405.608 3.529 20 0 HHADMP CC[NH+](CC)CCSCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473497287 994343891 /nfs/dbraw/zinc/34/38/91/994343891.db2.gz QFGXNPYFZQGCLE-QHCPKHFHSA-N 2 1 403.636 3.576 20 0 HHADMP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473508238 994359113 /nfs/dbraw/zinc/35/91/13/994359113.db2.gz QNYQIIMITMHNNW-AREMUKBSSA-N 2 1 421.585 3.755 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000481560174 994394203 /nfs/dbraw/zinc/39/42/03/994394203.db2.gz HHSGLMVDFDGDLO-REWPJTCUSA-N 2 1 422.569 3.964 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC3CC[NH+](C4CCCCC4)CC3)cc2)C[C@@H](C)O1 ZINC000473542531 994403155 /nfs/dbraw/zinc/40/31/55/994403155.db2.gz AUZAAALSBHMXDP-WOJBJXKFSA-N 2 1 413.606 3.823 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000481577147 994414953 /nfs/dbraw/zinc/41/49/53/994414953.db2.gz SLZPVIKIYKPMDM-VEXUSMLFSA-N 2 1 407.558 3.804 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000481577147 994414960 /nfs/dbraw/zinc/41/49/60/994414960.db2.gz SLZPVIKIYKPMDM-VEXUSMLFSA-N 2 1 407.558 3.804 20 0 HHADMP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000473554126 994416589 /nfs/dbraw/zinc/41/65/89/994416589.db2.gz RFWMESWWCRTCFO-HXUWFJFHSA-N 2 1 401.570 3.951 20 0 HHADMP O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000473559977 994424453 /nfs/dbraw/zinc/42/44/53/994424453.db2.gz BTNXRWRLPYGODU-KMDXXIMOSA-N 2 1 421.560 3.628 20 0 HHADMP O=C([C@H]1CCC[NH+](Cc2cccc(F)c2)C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000473559977 994424462 /nfs/dbraw/zinc/42/44/62/994424462.db2.gz BTNXRWRLPYGODU-KMDXXIMOSA-N 2 1 421.560 3.628 20 0 HHADMP O=C([C@H]1CCC[NH+](Cc2cccc(F)c2)C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000473559977 994424495 /nfs/dbraw/zinc/42/44/95/994424495.db2.gz BTNXRWRLPYGODU-KMDXXIMOSA-N 2 1 421.560 3.628 20 0 HHADMP CC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481671281 994531652 /nfs/dbraw/zinc/53/16/52/994531652.db2.gz QHKUOJXZKWJGRW-KRWDZBQOSA-N 2 1 402.004 3.552 20 0 HHADMP CC1(C)CC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000481906145 994777767 /nfs/dbraw/zinc/77/77/67/994777767.db2.gz CONCBHKCVALYPR-UNMCSNQZSA-N 2 1 412.622 3.992 20 0 HHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000474015244 995006164 /nfs/dbraw/zinc/00/61/64/995006164.db2.gz UMDXQOCDYFAQJF-GOSISDBHSA-N 2 1 424.427 3.743 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000474015244 995006175 /nfs/dbraw/zinc/00/61/75/995006175.db2.gz UMDXQOCDYFAQJF-GOSISDBHSA-N 2 1 424.427 3.743 20 0 HHADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000482153413 995107070 /nfs/dbraw/zinc/10/70/70/995107070.db2.gz UCGFMTJFOKFCHR-WBVHZDCISA-N 2 1 411.974 3.786 20 0 HHADMP CC(C)n1cc([C@H](C)[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)cn1 ZINC000482255955 995234119 /nfs/dbraw/zinc/23/41/19/995234119.db2.gz GDSNUZUBJJSHRE-IBGZPJMESA-N 2 1 400.567 3.804 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccc2c(c1)OCO2 ZINC000482256409 995234379 /nfs/dbraw/zinc/23/43/79/995234379.db2.gz GYWZZSUESMUYAY-GOSISDBHSA-N 2 1 412.530 3.756 20 0 HHADMP CC(C)n1cc([C@@H](C)[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)cn1 ZINC000482255957 995234627 /nfs/dbraw/zinc/23/46/27/995234627.db2.gz GDSNUZUBJJSHRE-LJQANCHMSA-N 2 1 400.567 3.804 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000482259344 995237506 /nfs/dbraw/zinc/23/75/06/995237506.db2.gz DMRTUQYDGCOXAP-VWNXMTODSA-N 2 1 412.622 3.803 20 0 HHADMP C[N@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CC=CCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000474366948 995346607 /nfs/dbraw/zinc/34/66/07/995346607.db2.gz OQHNPUYYZRZBIE-ICSRJNTNSA-N 2 1 424.511 3.649 20 0 HHADMP C[NH+]1CCC[C@@H](CNC(=O)NCC[N@H+]2CC=CCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000474366948 995346614 /nfs/dbraw/zinc/34/66/14/995346614.db2.gz OQHNPUYYZRZBIE-ICSRJNTNSA-N 2 1 424.511 3.649 20 0 HHADMP C[NH+]1CCC[C@@H](CNC(=O)NCC[N@@H+]2CC=CCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000474366948 995346619 /nfs/dbraw/zinc/34/66/19/995346619.db2.gz OQHNPUYYZRZBIE-ICSRJNTNSA-N 2 1 424.511 3.649 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000474516415 995480030 /nfs/dbraw/zinc/48/00/30/995480030.db2.gz JRKBTFBYPWCQGM-KCZVDYSFSA-N 2 1 400.611 3.659 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000474516643 995480057 /nfs/dbraw/zinc/48/00/57/995480057.db2.gz SYIODYDYZFBMTG-NPHXMPSESA-N 2 1 400.611 3.516 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000474529332 995495154 /nfs/dbraw/zinc/49/51/54/995495154.db2.gz YNSRIZTWVDEAPA-JSRBNTPPSA-N 2 1 412.622 3.803 20 0 HHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000482545795 995554230 /nfs/dbraw/zinc/55/42/30/995554230.db2.gz ZJVKPISMNGAMIH-IBGZPJMESA-N 2 1 402.583 3.944 20 0 HHADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000474608781 995563465 /nfs/dbraw/zinc/56/34/65/995563465.db2.gz YJOHCFHFIHTJKV-GGAORHGYSA-N 2 1 401.570 3.905 20 0 HHADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000474608781 995563470 /nfs/dbraw/zinc/56/34/70/995563470.db2.gz YJOHCFHFIHTJKV-GGAORHGYSA-N 2 1 401.570 3.905 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000482562121 995568571 /nfs/dbraw/zinc/56/85/71/995568571.db2.gz PLYBLFRSQAIPML-RLLQIKCJSA-N 2 1 411.512 3.909 20 0 HHADMP C[C@@H](c1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000474624157 995572890 /nfs/dbraw/zinc/57/28/90/995572890.db2.gz VAULOIHSAVTYBA-GBXCKJPGSA-N 2 1 422.573 3.818 20 0 HHADMP C[C@@H](c1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000474624157 995572901 /nfs/dbraw/zinc/57/29/01/995572901.db2.gz VAULOIHSAVTYBA-GBXCKJPGSA-N 2 1 422.573 3.818 20 0 HHADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000482606246 995605127 /nfs/dbraw/zinc/60/51/27/995605127.db2.gz SOPJKPOOJQMTNI-UHFFFAOYSA-N 2 1 411.638 3.592 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482609192 995606873 /nfs/dbraw/zinc/60/68/73/995606873.db2.gz QXUOBIVBWHXDQZ-PKTZIBPZSA-N 2 1 409.578 3.668 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482609192 995606876 /nfs/dbraw/zinc/60/68/76/995606876.db2.gz QXUOBIVBWHXDQZ-PKTZIBPZSA-N 2 1 409.578 3.668 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCOc4ccc(F)cc43)c2)C1 ZINC000482636849 995631543 /nfs/dbraw/zinc/63/15/43/995631543.db2.gz ACUSLUYAUQRTRU-KNQAVFIVSA-N 2 1 411.521 3.527 20 0 HHADMP C[NH+](C)CC1CC[NH+](CCOc2c(Br)cccc2Br)CC1 ZINC000482640340 995635206 /nfs/dbraw/zinc/63/52/06/995635206.db2.gz VHERJSQSZZTONE-UHFFFAOYSA-N 2 1 420.189 3.864 20 0 HHADMP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474798343 995714311 /nfs/dbraw/zinc/71/43/11/995714311.db2.gz KMFMJCVOBXOGMS-IRXDYDNUSA-N 2 1 421.301 3.935 20 0 HHADMP COCCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(Br)cc1 ZINC000482746592 995721712 /nfs/dbraw/zinc/72/17/12/995721712.db2.gz SFTCSPZBPNWAPQ-UXHICEINSA-N 2 1 413.400 3.599 20 0 HHADMP COc1ccc(C(C)(C)C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000482841491 995785159 /nfs/dbraw/zinc/78/51/59/995785159.db2.gz RPQKPARGNREFHX-UHFFFAOYSA-N 2 1 415.622 3.628 20 0 HHADMP COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000482895367 995824441 /nfs/dbraw/zinc/82/44/41/995824441.db2.gz DMWUREHHPAEFIX-FQEVSTJZSA-N 2 1 410.002 3.968 20 0 HHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cccc(OCC[NH+](C)C)c3)CC2)oc1C ZINC000482900578 995829559 /nfs/dbraw/zinc/82/95/59/995829559.db2.gz MCVYLENEJIUPJC-LJQANCHMSA-N 3 1 414.594 3.795 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000475129876 995941275 /nfs/dbraw/zinc/94/12/75/995941275.db2.gz LDURPNYXGOBJHL-NRFANRHFSA-N 2 1 421.520 3.736 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000475129876 995941283 /nfs/dbraw/zinc/94/12/83/995941283.db2.gz LDURPNYXGOBJHL-NRFANRHFSA-N 2 1 421.520 3.736 20 0 HHADMP CC1(C)CC(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC(C)(C)[NH2+]1 ZINC000475142931 995950707 /nfs/dbraw/zinc/95/07/07/995950707.db2.gz YPPFLKZVAOHJMO-VWLOTQADSA-N 2 1 412.622 3.993 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000475145259 995952351 /nfs/dbraw/zinc/95/23/51/995952351.db2.gz KMPYXRYGGZWBIX-MQSCRBSSSA-N 2 1 400.611 3.660 20 0 HHADMP CCN(C(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475175795 995973215 /nfs/dbraw/zinc/97/32/15/995973215.db2.gz RTNSJARQKBBXEC-GGAORHGYSA-N 2 1 400.611 3.805 20 0 HHADMP CCN(C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475180772 995977410 /nfs/dbraw/zinc/97/74/10/995977410.db2.gz ZCHNUCMPMNCXEE-JOCHJYFZSA-N 2 1 412.553 3.693 20 0 HHADMP Brc1cccc2c1OCCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000483218443 996044228 /nfs/dbraw/zinc/04/42/28/996044228.db2.gz ZNTMUFGPYMWHHT-KXBFYZLASA-N 2 1 409.368 3.753 20 0 HHADMP O=C(NC1CC([NH+]2CCCCC2)C1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475307989 996058899 /nfs/dbraw/zinc/05/88/99/996058899.db2.gz JXKOOYZMNFYIKE-RVMZIBIISA-N 2 1 410.606 3.701 20 0 HHADMP O[C@H](COCc1ccccc1F)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483484262 996210756 /nfs/dbraw/zinc/21/07/56/996210756.db2.gz IZQHNRFOFAAMBS-NMVJMZGASA-N 2 1 412.549 3.690 20 0 HHADMP O[C@H](COCc1ccccc1F)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483484262 996210761 /nfs/dbraw/zinc/21/07/61/996210761.db2.gz IZQHNRFOFAAMBS-NMVJMZGASA-N 2 1 412.549 3.690 20 0 HHADMP O[C@H](COCc1ccccc1F)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483484262 996210765 /nfs/dbraw/zinc/21/07/65/996210765.db2.gz IZQHNRFOFAAMBS-NMVJMZGASA-N 2 1 412.549 3.690 20 0 HHADMP O[C@H](COCc1ccccc1F)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483484262 996210770 /nfs/dbraw/zinc/21/07/70/996210770.db2.gz IZQHNRFOFAAMBS-NMVJMZGASA-N 2 1 412.549 3.690 20 0 HHADMP COc1cccc(COC[C@H](O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000483487568 996213525 /nfs/dbraw/zinc/21/35/25/996213525.db2.gz RBEHGXAJANQRHR-MZKUHISZSA-N 2 1 424.585 3.559 20 0 HHADMP COc1cccc(COC[C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000483487568 996213529 /nfs/dbraw/zinc/21/35/29/996213529.db2.gz RBEHGXAJANQRHR-MZKUHISZSA-N 2 1 424.585 3.559 20 0 HHADMP COc1cccc(COC[C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000483487568 996213534 /nfs/dbraw/zinc/21/35/34/996213534.db2.gz RBEHGXAJANQRHR-MZKUHISZSA-N 2 1 424.585 3.559 20 0 HHADMP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)ccc2c1 ZINC000483502241 996221522 /nfs/dbraw/zinc/22/15/22/996221522.db2.gz HCXQLFMZHIFJMM-ANJVHQHFSA-N 2 1 409.574 3.611 20 0 HHADMP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)ccc2c1 ZINC000483502241 996221527 /nfs/dbraw/zinc/22/15/27/996221527.db2.gz HCXQLFMZHIFJMM-ANJVHQHFSA-N 2 1 409.574 3.611 20 0 HHADMP COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)ccc2c1 ZINC000483502241 996221531 /nfs/dbraw/zinc/22/15/31/996221531.db2.gz HCXQLFMZHIFJMM-ANJVHQHFSA-N 2 1 409.574 3.611 20 0 HHADMP COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)ccc2c1 ZINC000483502241 996221537 /nfs/dbraw/zinc/22/15/37/996221537.db2.gz HCXQLFMZHIFJMM-ANJVHQHFSA-N 2 1 409.574 3.611 20 0 HHADMP C[C@H](c1ccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1)[NH+]1CCOCC1 ZINC000483625726 996294348 /nfs/dbraw/zinc/29/43/48/996294348.db2.gz ZWNNTZAHAVEGEZ-GOSISDBHSA-N 2 1 400.567 3.608 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(Br)cc2N2CCOCC2)C[C@H]1C ZINC000475725908 996325846 /nfs/dbraw/zinc/32/58/46/996325846.db2.gz PXPAJMGPTACJNW-VQIMIIECSA-N 2 1 410.400 3.590 20 0 HHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Br)cc2N2CCOCC2)C[C@H]1C ZINC000475725908 996325863 /nfs/dbraw/zinc/32/58/63/996325863.db2.gz PXPAJMGPTACJNW-VQIMIIECSA-N 2 1 410.400 3.590 20 0 HHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cc2N2CCOCC2)C[C@H]1C ZINC000475725908 996325868 /nfs/dbraw/zinc/32/58/68/996325868.db2.gz PXPAJMGPTACJNW-VQIMIIECSA-N 2 1 410.400 3.590 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C[C@H]1C ZINC000483736245 996357757 /nfs/dbraw/zinc/35/77/57/996357757.db2.gz XWUFURULOHRTGX-OFNKIYASSA-N 2 1 400.611 3.933 20 0 HHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)NC1CC[NH+](C2CCCC2)CC1 ZINC000483760319 996370268 /nfs/dbraw/zinc/37/02/68/996370268.db2.gz PBKVSZGOQYYZDQ-GOSISDBHSA-N 2 1 404.624 3.666 20 0 HHADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C[C@@H]1C ZINC000483774021 996377961 /nfs/dbraw/zinc/37/79/61/996377961.db2.gz CILPIXUYJBMLDX-SIKLNZKXSA-N 2 1 412.578 3.926 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C[C@@H]1C ZINC000483774021 996377985 /nfs/dbraw/zinc/37/79/85/996377985.db2.gz CILPIXUYJBMLDX-SIKLNZKXSA-N 2 1 412.578 3.926 20 0 HHADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C[C@@H]1C ZINC000483774021 996377992 /nfs/dbraw/zinc/37/79/92/996377992.db2.gz CILPIXUYJBMLDX-SIKLNZKXSA-N 2 1 412.578 3.926 20 0 HHADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C[C@@H]1C ZINC000483774021 996377995 /nfs/dbraw/zinc/37/79/95/996377995.db2.gz CILPIXUYJBMLDX-SIKLNZKXSA-N 2 1 412.578 3.926 20 0 HHADMP C[N@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@@H]1c1cccs1 ZINC000483801216 996396457 /nfs/dbraw/zinc/39/64/57/996396457.db2.gz DRVNICZJLLMURP-LAUBAEHRSA-N 2 1 404.624 3.837 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccc(Br)cc2)[C@H](C)C1 ZINC000483834884 996417010 /nfs/dbraw/zinc/41/70/10/996417010.db2.gz KWJNCKUAQHBDOD-HLIPFELVSA-N 2 1 413.400 3.943 20 0 HHADMP O[C@]1(C[NH2+][C@H]2CCc3cc(Br)ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000484134983 996590438 /nfs/dbraw/zinc/59/04/38/996590438.db2.gz AQRYETVRODBQME-SFTDATJTSA-N 2 1 401.348 3.663 20 0 HHADMP O[C@]1(C[NH2+][C@H]2CCc3cc(Br)ccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000484134983 996590444 /nfs/dbraw/zinc/59/04/44/996590444.db2.gz AQRYETVRODBQME-SFTDATJTSA-N 2 1 401.348 3.663 20 0 HHADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000484136416 996591294 /nfs/dbraw/zinc/59/12/94/996591294.db2.gz CNQPYJFCIPHTSY-NBGIEHNGSA-N 2 1 424.589 3.848 20 0 HHADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000484136416 996591299 /nfs/dbraw/zinc/59/12/99/996591299.db2.gz CNQPYJFCIPHTSY-NBGIEHNGSA-N 2 1 424.589 3.848 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccccc2Br)[C@@H](C)C1 ZINC000484488274 996809579 /nfs/dbraw/zinc/80/95/79/996809579.db2.gz UVZDEAJGKWNMBO-LNLFQRSKSA-N 2 1 413.400 3.943 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)C1CC1 ZINC000476629789 997151287 /nfs/dbraw/zinc/15/12/87/997151287.db2.gz GNXFKPBYWDDTNT-VXKWHMMOSA-N 2 1 410.562 3.626 20 0 HHADMP C[C@@H](CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000476710739 997252684 /nfs/dbraw/zinc/25/26/84/997252684.db2.gz VVYMZARWMLOGEL-AZUAARDMSA-N 2 1 400.592 3.705 20 0 HHADMP CC[NH+](CC)CCOc1cc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)ccc1OC ZINC000476807826 997360931 /nfs/dbraw/zinc/36/09/31/997360931.db2.gz NZFIPLAVUXPTBJ-QUCCMNQESA-N 2 1 420.598 3.610 20 0 HHADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476972990 997593007 /nfs/dbraw/zinc/59/30/07/997593007.db2.gz NASDKXRVKUYCSG-MOPGFXCFSA-N 2 1 415.578 3.761 20 0 HHADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476972990 997593016 /nfs/dbraw/zinc/59/30/16/997593016.db2.gz NASDKXRVKUYCSG-MOPGFXCFSA-N 2 1 415.578 3.761 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1F ZINC000485237420 997617408 /nfs/dbraw/zinc/61/74/08/997617408.db2.gz ZKCWHXBDFVHAHT-AOMKIAJQSA-N 2 1 409.509 3.810 20 0 HHADMP C(CC[NH+]1CC[C@@H](C[NH+]2CCCCC2)C1)CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000477049806 997689528 /nfs/dbraw/zinc/68/95/28/997689528.db2.gz KLLQVRRDBIDAFP-PLQXJYEYSA-N 4 1 404.687 3.772 20 0 HHADMP C(CC[NH+]1CC[C@H](C[NH+]2CCCCC2)C1)CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000477049806 997689533 /nfs/dbraw/zinc/68/95/33/997689533.db2.gz KLLQVRRDBIDAFP-PLQXJYEYSA-N 4 1 404.687 3.772 20 0 HHADMP C(CC[NH+]1CC[C@H](C[NH+]2CCCCC2)C1)CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000477049806 997689542 /nfs/dbraw/zinc/68/95/42/997689542.db2.gz KLLQVRRDBIDAFP-PLQXJYEYSA-N 4 1 404.687 3.772 20 0 HHADMP C[NH+]1CCC[C@@H]2C[NH+](Cc3ccc(C[NH+]4CC[C@@H]5[C@@H](CCC[N@@H+]5C)C4)cc3)CC[C@H]21 ZINC000485336071 997752404 /nfs/dbraw/zinc/75/24/04/997752404.db2.gz IDFOOGRQCOZFHU-XDZVQPMWSA-N 4 1 410.650 3.519 20 0 HHADMP C[NH+]1CCC[C@@H]2C[NH+](Cc3ccc(C[N@@H+]4CC[C@@H]5[C@@H](CCC[NH+]5C)C4)cc3)CC[C@H]21 ZINC000485336071 997752412 /nfs/dbraw/zinc/75/24/12/997752412.db2.gz IDFOOGRQCOZFHU-XDZVQPMWSA-N 4 1 410.650 3.519 20 0 HHADMP C[NH+]1CCC[C@@H]2C[NH+](Cc3ccc(C[N@H+]4CC[C@@H]5[C@@H](CCC[NH+]5C)C4)cc3)CC[C@H]21 ZINC000485336071 997752417 /nfs/dbraw/zinc/75/24/17/997752417.db2.gz IDFOOGRQCOZFHU-XDZVQPMWSA-N 4 1 410.650 3.519 20 0 HHADMP CN(C(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000477160604 997822121 /nfs/dbraw/zinc/82/21/21/997822121.db2.gz LBQKVRZWGMMLOL-LEWJYISDSA-N 2 1 404.986 3.573 20 0 HHADMP CN(C(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000477160604 997822139 /nfs/dbraw/zinc/82/21/39/997822139.db2.gz LBQKVRZWGMMLOL-LEWJYISDSA-N 2 1 404.986 3.573 20 0 HHADMP CN(C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000477160604 997822156 /nfs/dbraw/zinc/82/21/56/997822156.db2.gz LBQKVRZWGMMLOL-LEWJYISDSA-N 2 1 404.986 3.573 20 0 HHADMP CN(C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000477160604 997822168 /nfs/dbraw/zinc/82/21/68/997822168.db2.gz LBQKVRZWGMMLOL-LEWJYISDSA-N 2 1 404.986 3.573 20 0 HHADMP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c2cccs2)CC1 ZINC000485465659 997911049 /nfs/dbraw/zinc/91/10/49/997911049.db2.gz OGNVOYMDTLXLJE-SLFFLAALSA-N 2 1 404.624 3.647 20 0 HHADMP C[N@@H+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@H](c2ccccc2)C1 ZINC000477266403 997943372 /nfs/dbraw/zinc/94/33/72/997943372.db2.gz NXWYLPKJGPIVLF-WQYPUDFKSA-N 2 1 418.585 3.880 20 0 HHADMP C[N@H+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@H](c2ccccc2)C1 ZINC000477266403 997943380 /nfs/dbraw/zinc/94/33/80/997943380.db2.gz NXWYLPKJGPIVLF-WQYPUDFKSA-N 2 1 418.585 3.880 20 0 HHADMP C[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@H](c2ccccc2)C1 ZINC000477266403 997943394 /nfs/dbraw/zinc/94/33/94/997943394.db2.gz NXWYLPKJGPIVLF-WQYPUDFKSA-N 2 1 418.585 3.880 20 0 HHADMP C[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H](c2ccccc2)C1 ZINC000477266403 997943413 /nfs/dbraw/zinc/94/34/13/997943413.db2.gz NXWYLPKJGPIVLF-WQYPUDFKSA-N 2 1 418.585 3.880 20 0 HHADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000477337909 998025427 /nfs/dbraw/zinc/02/54/27/998025427.db2.gz JIIWCODSBYVFBZ-IBGZPJMESA-N 2 1 414.516 3.653 20 0 HHADMP C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)[N@@H+](C)Cc1ccccc1 ZINC000477359621 998048171 /nfs/dbraw/zinc/04/81/71/998048171.db2.gz LOKRVFZRHUIUNO-SFHVURJKSA-N 2 1 418.532 3.559 20 0 HHADMP C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000477363244 998051634 /nfs/dbraw/zinc/05/16/34/998051634.db2.gz ZKJUJTDJDMDFGY-SFHVURJKSA-N 2 1 418.532 3.559 20 0 HHADMP C[C@@H](NC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486319707 998710949 /nfs/dbraw/zinc/71/09/49/998710949.db2.gz KJGTZTIPMDUPGR-SJBKTWHCSA-N 2 1 400.611 3.707 20 0 HHADMP C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486319707 998710954 /nfs/dbraw/zinc/71/09/54/998710954.db2.gz KJGTZTIPMDUPGR-SJBKTWHCSA-N 2 1 400.611 3.707 20 0 HHADMP C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486319707 998710957 /nfs/dbraw/zinc/71/09/57/998710957.db2.gz KJGTZTIPMDUPGR-SJBKTWHCSA-N 2 1 400.611 3.707 20 0 HHADMP COc1cccc([C@H]2[C@@H](NC(=O)NC3CC[NH+](C(C)(C)C)CC3)CC[N@H+]2C2CC2)c1 ZINC000486338758 998718891 /nfs/dbraw/zinc/71/88/91/998718891.db2.gz ANHRPVDGPRPBCN-VXKWHMMOSA-N 2 1 414.594 3.535 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000478052826 998738059 /nfs/dbraw/zinc/73/80/59/998738059.db2.gz HWVLJRKUMXCZOJ-QGZVFWFLSA-N 2 1 402.970 3.824 20 0 HHADMP C[NH+]1CCC(CC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000486400019 998748613 /nfs/dbraw/zinc/74/86/13/998748613.db2.gz CYYNJHYJDGFUSF-GHTZIAJQSA-N 2 1 411.512 3.936 20 0 HHADMP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000486486000 998790336 /nfs/dbraw/zinc/79/03/36/998790336.db2.gz LIGRNPDEEAQRKI-IBGZPJMESA-N 2 1 405.464 3.771 20 0 HHADMP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000487060779 999051193 /nfs/dbraw/zinc/05/11/93/999051193.db2.gz BPSLTCYYWJMEIJ-HFMPRLQTSA-N 2 1 408.590 3.717 20 0 HHADMP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000487060779 999051199 /nfs/dbraw/zinc/05/11/99/999051199.db2.gz BPSLTCYYWJMEIJ-HFMPRLQTSA-N 2 1 408.590 3.717 20 0 HHADMP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000487060779 999051202 /nfs/dbraw/zinc/05/12/02/999051202.db2.gz BPSLTCYYWJMEIJ-HFMPRLQTSA-N 2 1 408.590 3.717 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000487145383 999080059 /nfs/dbraw/zinc/08/00/59/999080059.db2.gz KKIXZTPZPHGVQX-BULFRSBZSA-N 2 1 420.548 3.805 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000487145383 999080062 /nfs/dbraw/zinc/08/00/62/999080062.db2.gz KKIXZTPZPHGVQX-BULFRSBZSA-N 2 1 420.548 3.805 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000487145383 999080065 /nfs/dbraw/zinc/08/00/65/999080065.db2.gz KKIXZTPZPHGVQX-BULFRSBZSA-N 2 1 420.548 3.805 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000487145383 999080069 /nfs/dbraw/zinc/08/00/69/999080069.db2.gz KKIXZTPZPHGVQX-BULFRSBZSA-N 2 1 420.548 3.805 20 0 HHADMP CC(C)N1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H]1c1ccc(F)c(F)c1 ZINC000487208949 999097221 /nfs/dbraw/zinc/09/72/21/999097221.db2.gz KIHALJLLWRFFAJ-ZNSGMJNFSA-N 2 1 420.548 3.803 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]1c1ccc(F)c(F)c1 ZINC000487208949 999097223 /nfs/dbraw/zinc/09/72/23/999097223.db2.gz KIHALJLLWRFFAJ-ZNSGMJNFSA-N 2 1 420.548 3.803 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]1c1ccc(F)c(F)c1 ZINC000487208949 999097227 /nfs/dbraw/zinc/09/72/27/999097227.db2.gz KIHALJLLWRFFAJ-ZNSGMJNFSA-N 2 1 420.548 3.803 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H]1c1ccc(F)c(F)c1 ZINC000487208949 999097232 /nfs/dbraw/zinc/09/72/32/999097232.db2.gz KIHALJLLWRFFAJ-ZNSGMJNFSA-N 2 1 420.548 3.803 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H]1c1ccc(F)c(F)c1 ZINC000487208949 999097236 /nfs/dbraw/zinc/09/72/36/999097236.db2.gz KIHALJLLWRFFAJ-ZNSGMJNFSA-N 2 1 420.548 3.803 20 0 HHADMP CC(C)N1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H]1c1ccc(F)c(F)c1 ZINC000487208948 999097341 /nfs/dbraw/zinc/09/73/41/999097341.db2.gz KIHALJLLWRFFAJ-MYLBWWTJSA-N 2 1 420.548 3.803 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]1c1ccc(F)c(F)c1 ZINC000487208948 999097347 /nfs/dbraw/zinc/09/73/47/999097347.db2.gz KIHALJLLWRFFAJ-MYLBWWTJSA-N 2 1 420.548 3.803 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]1c1ccc(F)c(F)c1 ZINC000487208948 999097350 /nfs/dbraw/zinc/09/73/50/999097350.db2.gz KIHALJLLWRFFAJ-MYLBWWTJSA-N 2 1 420.548 3.803 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H]1c1ccc(F)c(F)c1 ZINC000487208948 999097354 /nfs/dbraw/zinc/09/73/54/999097354.db2.gz KIHALJLLWRFFAJ-MYLBWWTJSA-N 2 1 420.548 3.803 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H]1c1ccc(F)c(F)c1 ZINC000487208948 999097360 /nfs/dbraw/zinc/09/73/60/999097360.db2.gz KIHALJLLWRFFAJ-MYLBWWTJSA-N 2 1 420.548 3.803 20 0 HHADMP C[C@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487262255 999116768 /nfs/dbraw/zinc/11/67/68/999116768.db2.gz AYSABSOKHYZCLW-RDPSFJRHSA-N 2 1 423.626 3.876 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000479066961 999278075 /nfs/dbraw/zinc/27/80/75/999278075.db2.gz KCFOLASPFOJXQH-IRFCIJBXSA-N 2 1 415.603 3.655 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000479066961 999278081 /nfs/dbraw/zinc/27/80/81/999278081.db2.gz KCFOLASPFOJXQH-IRFCIJBXSA-N 2 1 415.603 3.655 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)cc1 ZINC000479069525 999279378 /nfs/dbraw/zinc/27/93/78/999279378.db2.gz YVZOGKMKNFUTGC-IAGOWNOFSA-N 2 1 412.559 3.857 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000487897467 999308907 /nfs/dbraw/zinc/30/89/07/999308907.db2.gz NVRUXOMWWIZEOV-SQBLYHGDSA-N 2 1 408.537 3.661 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000487897467 999308911 /nfs/dbraw/zinc/30/89/11/999308911.db2.gz NVRUXOMWWIZEOV-SQBLYHGDSA-N 2 1 408.537 3.661 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488014267 999348942 /nfs/dbraw/zinc/34/89/42/999348942.db2.gz MWMCDXODQBOYCT-QVGHQYEOSA-N 2 1 406.574 3.642 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488014267 999348945 /nfs/dbraw/zinc/34/89/45/999348945.db2.gz MWMCDXODQBOYCT-QVGHQYEOSA-N 2 1 406.574 3.642 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488014267 999348948 /nfs/dbraw/zinc/34/89/48/999348948.db2.gz MWMCDXODQBOYCT-QVGHQYEOSA-N 2 1 406.574 3.642 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000479357088 999401653 /nfs/dbraw/zinc/40/16/53/999401653.db2.gz HNMUQTOQTFKOFM-NFBKMPQASA-N 2 1 400.611 3.790 20 0 HHADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1C(F)(F)F ZINC000479367600 999406757 /nfs/dbraw/zinc/40/67/57/999406757.db2.gz ZXJNQLMGLOHKMC-CZUORRHYSA-N 2 1 409.290 3.965 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)C1 ZINC000488190287 999408914 /nfs/dbraw/zinc/40/89/14/999408914.db2.gz RQGUEJMDVPJCCP-RTWAWAEBSA-N 2 1 412.622 3.934 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)C1 ZINC000488190287 999408916 /nfs/dbraw/zinc/40/89/16/999408916.db2.gz RQGUEJMDVPJCCP-RTWAWAEBSA-N 2 1 412.622 3.934 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)C1 ZINC000488190287 999408919 /nfs/dbraw/zinc/40/89/19/999408919.db2.gz RQGUEJMDVPJCCP-RTWAWAEBSA-N 2 1 412.622 3.934 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@H](C)C1 ZINC000479478536 999434879 /nfs/dbraw/zinc/43/48/79/999434879.db2.gz NKIZRSBLBKBERQ-SGZDXZSOSA-N 2 1 405.549 3.518 20 0 HHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)[C@H](C)C1 ZINC000479478536 999434889 /nfs/dbraw/zinc/43/48/89/999434889.db2.gz NKIZRSBLBKBERQ-SGZDXZSOSA-N 2 1 405.549 3.518 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)[C@H](C)C1 ZINC000479478536 999434890 /nfs/dbraw/zinc/43/48/90/999434890.db2.gz NKIZRSBLBKBERQ-SGZDXZSOSA-N 2 1 405.549 3.518 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000488478900 999501350 /nfs/dbraw/zinc/50/13/50/999501350.db2.gz NNVZXSAZVSDLPC-CYFREDJKSA-N 2 1 400.526 3.888 20 0 HHADMP CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000488545789 999523435 /nfs/dbraw/zinc/52/34/35/999523435.db2.gz JTCHPCJADAPCJY-XUZZJYLKSA-N 2 1 414.638 3.954 20 0 HHADMP C[C@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488551363 999524931 /nfs/dbraw/zinc/52/49/31/999524931.db2.gz UIBJQZKSMLKXNA-OFVILXPXSA-N 2 1 420.601 3.992 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000488566550 999530001 /nfs/dbraw/zinc/53/00/01/999530001.db2.gz ZJOXDPFKVYMJKG-FCHUYYIVSA-N 2 1 422.564 3.910 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000488566550 999530003 /nfs/dbraw/zinc/53/00/03/999530003.db2.gz ZJOXDPFKVYMJKG-FCHUYYIVSA-N 2 1 422.564 3.910 20 0 HHADMP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000488615966 999547057 /nfs/dbraw/zinc/54/70/57/999547057.db2.gz UWXLIELEJAWHTD-MAODMQOUSA-N 2 1 408.537 3.520 20 0 HHADMP CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000488615966 999547059 /nfs/dbraw/zinc/54/70/59/999547059.db2.gz UWXLIELEJAWHTD-MAODMQOUSA-N 2 1 408.537 3.520 20 0 HHADMP CC[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000488615966 999547063 /nfs/dbraw/zinc/54/70/63/999547063.db2.gz UWXLIELEJAWHTD-MAODMQOUSA-N 2 1 408.537 3.520 20 0 HHADMP CC[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000488615966 999547066 /nfs/dbraw/zinc/54/70/66/999547066.db2.gz UWXLIELEJAWHTD-MAODMQOUSA-N 2 1 408.537 3.520 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N(C)CCC[N@@H+](C)Cc2ccco2)[NH+]2CCCC2)cc1 ZINC000489279286 999735921 /nfs/dbraw/zinc/73/59/21/999735921.db2.gz UOUPZAXUXZJPER-QHCPKHFHSA-N 2 1 412.578 3.888 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000489433182 999766467 /nfs/dbraw/zinc/76/64/67/999766467.db2.gz UYUZVCZLBIOIJN-ILWGZMRPSA-N 2 1 412.578 3.872 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000489530366 999785553 /nfs/dbraw/zinc/78/55/53/999785553.db2.gz LZGABVWSEMATAQ-WMZHIEFXSA-N 2 1 410.562 3.659 20 0 HHADMP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000489609373 999802170 /nfs/dbraw/zinc/80/21/70/999802170.db2.gz IYXITNTZEONSNT-VWLOTQADSA-N 2 1 420.601 3.957 20 0 HHADMP C[C@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)c1ccc(OCC[NH+](C)C)cc1 ZINC000480454470 999802666 /nfs/dbraw/zinc/80/26/66/999802666.db2.gz PNEDJVKVQSXCRL-AWEZNQCLSA-N 2 1 407.440 3.539 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000489651123 999810198 /nfs/dbraw/zinc/81/01/98/999810198.db2.gz SXMMMAZGXGIXOG-HXUWFJFHSA-N 2 1 411.512 3.631 20 0 HHADMP Cc1ccc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1NC(=O)CN1CCCCC1 ZINC000489708987 999821898 /nfs/dbraw/zinc/82/18/98/999821898.db2.gz XZGKKMLRGOFXLU-FQEVSTJZSA-N 2 1 400.567 3.622 20 0 HHADMP Cc1ccc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)cc1NC(=O)C[NH+]1CCCCC1 ZINC000489708987 999821900 /nfs/dbraw/zinc/82/19/00/999821900.db2.gz XZGKKMLRGOFXLU-FQEVSTJZSA-N 2 1 400.567 3.622 20 0 HHADMP Cc1ccc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1NC(=O)C[NH+]1CCCCC1 ZINC000489708987 999821903 /nfs/dbraw/zinc/82/19/03/999821903.db2.gz XZGKKMLRGOFXLU-FQEVSTJZSA-N 2 1 400.567 3.622 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)[C@H](c2ccccc2)N2CCOCC2)cc1F ZINC000480593996 999836051 /nfs/dbraw/zinc/83/60/51/999836051.db2.gz JAAGMGKXIBOTPT-MHECFPHRSA-N 2 1 408.521 3.871 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000489829798 999845387 /nfs/dbraw/zinc/84/53/87/999845387.db2.gz JNTYSJVFDCNEQG-GGAORHGYSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000489838674 999847110 /nfs/dbraw/zinc/84/71/10/999847110.db2.gz UGRSJKXVOFJQOO-QPPBQGQZSA-N 2 1 408.590 3.718 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000489838674 999847113 /nfs/dbraw/zinc/84/71/13/999847113.db2.gz UGRSJKXVOFJQOO-QPPBQGQZSA-N 2 1 408.590 3.718 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000489838674 999847115 /nfs/dbraw/zinc/84/71/15/999847115.db2.gz UGRSJKXVOFJQOO-QPPBQGQZSA-N 2 1 408.590 3.718 20 0 HHADMP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCOCC1)c1ccccc1 ZINC000480712189 999865540 /nfs/dbraw/zinc/86/55/40/999865540.db2.gz ILXLZZPFFLMDRH-IRLDBZIGSA-N 2 1 413.606 3.657 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000490019896 999878988 /nfs/dbraw/zinc/87/89/88/999878988.db2.gz LAENDSOUDRSYSJ-PXDATVDWSA-N 2 1 420.601 3.732 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000490256224 999923127 /nfs/dbraw/zinc/92/31/27/999923127.db2.gz XFVWMXDMCTUUSM-NZQKXSOJSA-N 2 1 424.589 3.652 20 0 HHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000490365161 999945272 /nfs/dbraw/zinc/94/52/72/999945272.db2.gz JMOOYCBNYSDWDJ-QGZVFWFLSA-N 2 1 406.368 3.930 20 0 HHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4ccncc4OC[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000490368709 999946058 /nfs/dbraw/zinc/94/60/58/999946058.db2.gz MYDQLQQHKBPVEP-WUEDSLEZSA-N 2 1 421.585 3.887 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4ccncc4OC[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000490368709 999946059 /nfs/dbraw/zinc/94/60/59/999946059.db2.gz MYDQLQQHKBPVEP-WUEDSLEZSA-N 2 1 421.585 3.887 20 0 HHADMP C[C@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490799788 1000007932 /nfs/dbraw/zinc/00/79/32/1000007932.db2.gz SSEXTNNZIQRTGR-UGKGYDQZSA-N 2 1 400.526 3.888 20 0 HHADMP C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490825908 1000012506 /nfs/dbraw/zinc/01/25/06/1000012506.db2.gz LKVWKXYOPCFHSA-PXDATVDWSA-N 2 1 405.586 3.925 20 0 HHADMP C[N@@H+](CCNC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000490898293 1000020832 /nfs/dbraw/zinc/02/08/32/1000020832.db2.gz RCFGFCDWJARYMQ-UHFFFAOYSA-N 2 1 406.574 3.843 20 0 HHADMP C[C@@H]1C[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490994225 1000031792 /nfs/dbraw/zinc/03/17/92/1000031792.db2.gz KHIYDNPWJGEBFW-PXDATVDWSA-N 2 1 409.574 3.816 20 0 HHADMP C[C@H]1C[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490994226 1000031817 /nfs/dbraw/zinc/03/18/17/1000031817.db2.gz KHIYDNPWJGEBFW-SQJMNOBHSA-N 2 1 409.574 3.816 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000491027252 1000035938 /nfs/dbraw/zinc/03/59/38/1000035938.db2.gz JEBCIDVNWDTFMF-GGAORHGYSA-N 2 1 405.586 3.804 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000491027252 1000035941 /nfs/dbraw/zinc/03/59/41/1000035941.db2.gz JEBCIDVNWDTFMF-GGAORHGYSA-N 2 1 405.586 3.804 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000491027252 1000035944 /nfs/dbraw/zinc/03/59/44/1000035944.db2.gz JEBCIDVNWDTFMF-GGAORHGYSA-N 2 1 405.586 3.804 20 0 HHADMP CC(C)Oc1ccc([C@H](CNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)[NH+](C)C)cc1 ZINC000491082486 1000043608 /nfs/dbraw/zinc/04/36/08/1000043608.db2.gz WOTBZWQZZMTLDF-CVDCTZTESA-N 2 1 416.610 3.592 20 0 HHADMP C[C@H]1CN(C(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@H+](C2CCC2)C1 ZINC000491123358 1000047662 /nfs/dbraw/zinc/04/76/62/1000047662.db2.gz KXRAJJOLINYZPY-GGAORHGYSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@H]1CN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC[NH+](C2CCC2)C1 ZINC000491123358 1000047663 /nfs/dbraw/zinc/04/76/63/1000047663.db2.gz KXRAJJOLINYZPY-GGAORHGYSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@H]1CN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC[NH+](C2CCC2)C1 ZINC000491123358 1000047664 /nfs/dbraw/zinc/04/76/64/1000047664.db2.gz KXRAJJOLINYZPY-GGAORHGYSA-N 2 1 412.622 3.805 20 0 HHADMP CC[N@@H+](CCC1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1)CC1CC1 ZINC000491283608 1000061416 /nfs/dbraw/zinc/06/14/16/1000061416.db2.gz LZBGJGJXYFAEMD-UHFFFAOYSA-N 2 1 416.614 3.516 20 0 HHADMP CC[N@@H+](CCC1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1)CC(C)C ZINC000491390619 1000070825 /nfs/dbraw/zinc/07/08/25/1000070825.db2.gz WVINEDPSPSOOBJ-UHFFFAOYSA-N 2 1 418.630 3.762 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000493164314 1000160723 /nfs/dbraw/zinc/16/07/23/1000160723.db2.gz ZJCGNXQKXICFND-LJQANCHMSA-N 2 1 411.456 3.772 20 0 HHADMP C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000493861259 1000198510 /nfs/dbraw/zinc/19/85/10/1000198510.db2.gz HJVNHBCGQJBQFQ-LQWHRVPQSA-N 2 1 411.512 3.678 20 0 HHADMP C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000493861259 1000198512 /nfs/dbraw/zinc/19/85/12/1000198512.db2.gz HJVNHBCGQJBQFQ-LQWHRVPQSA-N 2 1 411.512 3.678 20 0 HHADMP C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000493861259 1000198515 /nfs/dbraw/zinc/19/85/15/1000198515.db2.gz HJVNHBCGQJBQFQ-LQWHRVPQSA-N 2 1 411.512 3.678 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccccc1 ZINC000504615955 1000293989 /nfs/dbraw/zinc/29/39/89/1000293989.db2.gz WLZHGSKVECHDFA-LEWJYISDSA-N 2 1 401.501 3.563 20 0 HHADMP C[C@@H]1[C@H](NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000494070207 1000294232 /nfs/dbraw/zinc/29/42/32/1000294232.db2.gz VTXLFIJNODTNLD-AUSIDOKSSA-N 2 1 409.599 3.628 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000504653618 1000310304 /nfs/dbraw/zinc/31/03/04/1000310304.db2.gz DXJWLIFYGNXIDU-OAQYLSRUSA-N 2 1 411.512 3.679 20 0 HHADMP CC[NH+](CC)CCSCC(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000494135214 1000324476 /nfs/dbraw/zinc/32/44/76/1000324476.db2.gz XAMPCSAYZZPMMQ-PZJWPPBQSA-N 2 1 413.578 3.680 20 0 HHADMP CC[NH+](CC)CCSCC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000494135214 1000324482 /nfs/dbraw/zinc/32/44/82/1000324482.db2.gz XAMPCSAYZZPMMQ-PZJWPPBQSA-N 2 1 413.578 3.680 20 0 HHADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000504870352 1000416147 /nfs/dbraw/zinc/41/61/47/1000416147.db2.gz RPHFKFGVKKPKKY-HXUWFJFHSA-N 2 1 408.590 3.774 20 0 HHADMP O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504922433 1000449748 /nfs/dbraw/zinc/44/97/48/1000449748.db2.gz AZNNSHLZDVODQH-XMMPIXPASA-N 2 1 406.574 3.746 20 0 HHADMP CCc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)[NH+](C)C)cc1 ZINC000504983744 1000488004 /nfs/dbraw/zinc/48/80/04/1000488004.db2.gz UPOSTTUUJZZYJB-UTKZUKDTSA-N 2 1 414.619 3.659 20 0 HHADMP CCc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)[NH+](C)C)cc1 ZINC000504983744 1000488008 /nfs/dbraw/zinc/48/80/08/1000488008.db2.gz UPOSTTUUJZZYJB-UTKZUKDTSA-N 2 1 414.619 3.659 20 0 HHADMP C[C@H](CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[N@@H+]1CCc2sccc2C1 ZINC000504989018 1000491212 /nfs/dbraw/zinc/49/12/12/1000491212.db2.gz RLFUGXRGALPQOW-SJLPKXTDSA-N 2 1 418.632 3.693 20 0 HHADMP C[C@H](CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[N@H+]1CCc2sccc2C1 ZINC000504989018 1000491214 /nfs/dbraw/zinc/49/12/14/1000491214.db2.gz RLFUGXRGALPQOW-SJLPKXTDSA-N 2 1 418.632 3.693 20 0 HHADMP C[C@@H](CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[N@@H+]1CCc2sccc2C1 ZINC000504989017 1000491495 /nfs/dbraw/zinc/49/14/95/1000491495.db2.gz RLFUGXRGALPQOW-FUHWJXTLSA-N 2 1 418.632 3.693 20 0 HHADMP C[C@@H](CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[N@H+]1CCc2sccc2C1 ZINC000504989017 1000491499 /nfs/dbraw/zinc/49/14/99/1000491499.db2.gz RLFUGXRGALPQOW-FUHWJXTLSA-N 2 1 418.632 3.693 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)C1CC[NH+](C2CC2)CC1 ZINC000494482875 1000517068 /nfs/dbraw/zinc/51/70/68/1000517068.db2.gz GMOWETCNJUMRAH-JOCHJYFZSA-N 2 1 409.599 3.838 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)C1CC[NH+](C2CC2)CC1 ZINC000494482875 1000517077 /nfs/dbraw/zinc/51/70/77/1000517077.db2.gz GMOWETCNJUMRAH-JOCHJYFZSA-N 2 1 409.599 3.838 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000494926769 1000733733 /nfs/dbraw/zinc/73/37/33/1000733733.db2.gz ZIQHXYHZXGHTQZ-HSALFYBXSA-N 2 1 409.574 3.848 20 0 HHADMP CC[N@@H+](CCNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)CCC(F)(F)F ZINC000495008514 1000776281 /nfs/dbraw/zinc/77/62/81/1000776281.db2.gz YFOYPBFXOFODSK-KRWDZBQOSA-N 2 1 414.516 3.786 20 0 HHADMP C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000495024982 1000785751 /nfs/dbraw/zinc/78/57/51/1000785751.db2.gz MCKAVCIHICMCJB-OAHLLOKOSA-N 2 1 404.555 3.940 20 0 HHADMP C[NH+](C)CCOc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000495184256 1000905967 /nfs/dbraw/zinc/90/59/67/1000905967.db2.gz OOPJBCIPZYZWQI-SFHVURJKSA-N 2 1 416.591 3.722 20 0 HHADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000505691899 1000978394 /nfs/dbraw/zinc/97/83/94/1000978394.db2.gz MGWAFHYKOZCLMU-DNQXCXABSA-N 2 1 418.585 3.730 20 0 HHADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000505691899 1000978401 /nfs/dbraw/zinc/97/84/01/1000978401.db2.gz MGWAFHYKOZCLMU-DNQXCXABSA-N 2 1 418.585 3.730 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 ZINC000505825032 1001045664 /nfs/dbraw/zinc/04/56/64/1001045664.db2.gz OAYPLVMAUOKMPE-NRFANRHFSA-N 2 1 411.546 3.637 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@H](C[N@H+]4CCCC[C@H]4C)C3)CC2)cs1 ZINC000505910829 1001095332 /nfs/dbraw/zinc/09/53/32/1001095332.db2.gz DDIGJLCDCBUHQS-UYAOXDASSA-N 2 1 418.651 3.777 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)CC2)cs1 ZINC000505910829 1001095338 /nfs/dbraw/zinc/09/53/38/1001095338.db2.gz DDIGJLCDCBUHQS-UYAOXDASSA-N 2 1 418.651 3.777 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000505925972 1001106201 /nfs/dbraw/zinc/10/62/01/1001106201.db2.gz ZHHZAXLRKZIOPI-IFMALSPDSA-N 2 1 415.647 3.962 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC3CC[NH+](CC4CCCC4)CC3)cc2)C[C@@H](C)O1 ZINC000497605410 1001455864 /nfs/dbraw/zinc/45/58/64/1001455864.db2.gz HQMGMMVWJZPGPC-WOJBJXKFSA-N 2 1 413.606 3.680 20 0 HHADMP CC(C)C[C@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)[NH2+][C@H](C)c1ccccc1 ZINC000497612135 1001458763 /nfs/dbraw/zinc/45/87/63/1001458763.db2.gz RUCWILATIUDCQG-JMJGKCIBSA-N 2 1 400.611 3.878 20 0 HHADMP CS[C@H]1CN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C[C@@H]1[NH+](C)C ZINC000497656994 1001474710 /nfs/dbraw/zinc/47/47/10/1001474710.db2.gz KLSXOLUGDMSCJK-SFTDATJTSA-N 2 1 404.624 3.960 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)c1ccco1 ZINC000506623869 1001474755 /nfs/dbraw/zinc/47/47/55/1001474755.db2.gz FCEDXMNFYGVGPJ-PCCBWWKXSA-N 2 1 404.599 3.959 20 0 HHADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000497662077 1001476394 /nfs/dbraw/zinc/47/63/94/1001476394.db2.gz YQUCHKBDAGNRRY-ZRBLBEILSA-N 2 1 412.622 3.585 20 0 HHADMP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000497662077 1001476398 /nfs/dbraw/zinc/47/63/98/1001476398.db2.gz YQUCHKBDAGNRRY-ZRBLBEILSA-N 2 1 412.622 3.585 20 0 HHADMP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000497662077 1001476403 /nfs/dbraw/zinc/47/64/03/1001476403.db2.gz YQUCHKBDAGNRRY-ZRBLBEILSA-N 2 1 412.622 3.585 20 0 HHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)CC1 ZINC000506687957 1001494318 /nfs/dbraw/zinc/49/43/18/1001494318.db2.gz DWRIQHQMALBQGR-JOCHJYFZSA-N 2 1 422.621 3.526 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)[NH+](C)Cc1ccccc1 ZINC000506793698 1001533362 /nfs/dbraw/zinc/53/33/62/1001533362.db2.gz BPQAATIPEMKSSA-XJUOHMSHSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1)[N@H+](C)Cc1ccccc1 ZINC000506793698 1001533365 /nfs/dbraw/zinc/53/33/65/1001533365.db2.gz BPQAATIPEMKSSA-XJUOHMSHSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1)[N@@H+](C)Cc1ccccc1 ZINC000506793698 1001533368 /nfs/dbraw/zinc/53/33/68/1001533368.db2.gz BPQAATIPEMKSSA-XJUOHMSHSA-N 2 1 400.611 3.803 20 0 HHADMP COc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)cc(Br)c1OC(F)F ZINC000506942467 1001607703 /nfs/dbraw/zinc/60/77/03/1001607703.db2.gz AZGPBDDONTXBEL-UHFFFAOYSA-N 2 1 407.299 3.833 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC000506949419 1001723593 /nfs/dbraw/zinc/72/35/93/1001723593.db2.gz IVHSEFFDPDYSMM-GGAORHGYSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000506949419 1001723598 /nfs/dbraw/zinc/72/35/98/1001723598.db2.gz IVHSEFFDPDYSMM-GGAORHGYSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000506949419 1001723606 /nfs/dbraw/zinc/72/36/06/1001723606.db2.gz IVHSEFFDPDYSMM-GGAORHGYSA-N 2 1 400.611 3.805 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3C)C2)CC1 ZINC000507210848 1001899255 /nfs/dbraw/zinc/89/92/55/1001899255.db2.gz TYTAXYOGGONWQA-HSZRJFAPSA-N 2 1 405.586 3.874 20 0 HHADMP CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000498665379 1002059466 /nfs/dbraw/zinc/05/94/66/1002059466.db2.gz YKDNKNOVOYUWFV-RTWAWAEBSA-N 2 1 408.537 3.661 20 0 HHADMP CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000498665379 1002059478 /nfs/dbraw/zinc/05/94/78/1002059478.db2.gz YKDNKNOVOYUWFV-RTWAWAEBSA-N 2 1 408.537 3.661 20 0 HHADMP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)[C@H](C)C1 ZINC000498676172 1002067622 /nfs/dbraw/zinc/06/76/22/1002067622.db2.gz PPCAHAHGUXCJFN-ZINXYGQCSA-N 2 1 422.564 3.860 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)[C@H](C)C1 ZINC000498676172 1002067629 /nfs/dbraw/zinc/06/76/29/1002067629.db2.gz PPCAHAHGUXCJFN-ZINXYGQCSA-N 2 1 422.564 3.860 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)[C@H](C)C1 ZINC000498676172 1002067641 /nfs/dbraw/zinc/06/76/41/1002067641.db2.gz PPCAHAHGUXCJFN-ZINXYGQCSA-N 2 1 422.564 3.860 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)[C@H](C)C1 ZINC000498676172 1002067651 /nfs/dbraw/zinc/06/76/51/1002067651.db2.gz PPCAHAHGUXCJFN-ZINXYGQCSA-N 2 1 422.564 3.860 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCC2(F)F)c1 ZINC000507503002 1002115877 /nfs/dbraw/zinc/11/58/77/1002115877.db2.gz UTFZVXYTNBQPKD-QFIPXVFZSA-N 2 1 415.528 3.912 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000507503002 1002115889 /nfs/dbraw/zinc/11/58/89/1002115889.db2.gz UTFZVXYTNBQPKD-QFIPXVFZSA-N 2 1 415.528 3.912 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000507503002 1002115884 /nfs/dbraw/zinc/11/58/84/1002115884.db2.gz UTFZVXYTNBQPKD-QFIPXVFZSA-N 2 1 415.528 3.912 20 0 HHADMP Fc1ccc(-c2nnc3n2C[C@H]([NH2+]C2CC[NH+](CCc4ccccc4)CC2)CC3)cc1 ZINC000507619467 1002224321 /nfs/dbraw/zinc/22/43/21/1002224321.db2.gz KHIXMGQKDPFYFJ-HSZRJFAPSA-N 2 1 419.548 3.696 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000499001078 1002379973 /nfs/dbraw/zinc/37/99/73/1002379973.db2.gz CERCVZRFZTUYEO-VWNXMTODSA-N 2 1 423.605 3.537 20 0 HHADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)c1 ZINC000499113379 1002503064 /nfs/dbraw/zinc/50/30/64/1002503064.db2.gz PLVHPLSATIAUEH-ZKGSSEMHSA-N 2 1 418.585 3.744 20 0 HHADMP NC(=O)[C@H]1CCC[NH+]1Cc1cccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000499113379 1002503073 /nfs/dbraw/zinc/50/30/73/1002503073.db2.gz PLVHPLSATIAUEH-ZKGSSEMHSA-N 2 1 418.585 3.744 20 0 HHADMP NC(=O)[C@H]1CCC[NH+]1Cc1cccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000499113379 1002503079 /nfs/dbraw/zinc/50/30/79/1002503079.db2.gz PLVHPLSATIAUEH-ZKGSSEMHSA-N 2 1 418.585 3.744 20 0 HHADMP c1csc([C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)N2CCOCC2)c1 ZINC000499141839 1002526437 /nfs/dbraw/zinc/52/64/37/1002526437.db2.gz NLWZFCUGVHOHCD-BJESRGMDSA-N 2 1 411.615 3.907 20 0 HHADMP CCc1cc(N2CCC[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)ncn1 ZINC000499148870 1002531972 /nfs/dbraw/zinc/53/19/72/1002531972.db2.gz UIGFGNGJEOYEPU-NEWJYFPISA-N 2 1 405.590 3.793 20 0 HHADMP Fc1ccc(N2CCN(CC[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)cc1 ZINC000499148777 1002532591 /nfs/dbraw/zinc/53/25/91/1002532591.db2.gz DQLPMQSPMMYTNI-YGTOKIDASA-N 2 1 422.592 3.733 20 0 HHADMP C[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000499150780 1002534306 /nfs/dbraw/zinc/53/43/06/1002534306.db2.gz ZCWSXXKYFDQIOV-STAKNXPZSA-N 2 1 418.629 3.982 20 0 HHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H](c2ccccc2)N2CCOCC2)C3)cc1 ZINC000499162181 1002548272 /nfs/dbraw/zinc/54/82/72/1002548272.db2.gz AHROVFHJUIEVHO-QYOOZWMWSA-N 2 1 405.586 3.845 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000508091259 1002614155 /nfs/dbraw/zinc/61/41/55/1002614155.db2.gz WHHRRKOTRUNNNH-SFHVURJKSA-N 2 1 413.587 3.796 20 0 HHADMP CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499234389 1002624382 /nfs/dbraw/zinc/62/43/82/1002624382.db2.gz QHSFQYLGFQTLDC-MTQWNXOMSA-N 2 1 416.569 3.610 20 0 HHADMP CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499234389 1002624388 /nfs/dbraw/zinc/62/43/88/1002624388.db2.gz QHSFQYLGFQTLDC-MTQWNXOMSA-N 2 1 416.569 3.610 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(OCc2cccs2)c1 ZINC000508107304 1002632318 /nfs/dbraw/zinc/63/23/18/1002632318.db2.gz XCIZPJGWKGGIGX-FQEVSTJZSA-N 2 1 415.603 3.815 20 0 HHADMP COc1ccc2nc(C)nc(N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2c1 ZINC000508279076 1002790840 /nfs/dbraw/zinc/79/08/40/1002790840.db2.gz JBWQGMMRBPNSOM-UHFFFAOYSA-N 2 1 411.594 3.579 20 0 HHADMP Cc1cccc([C@H](C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)N2CCOCC2)c1 ZINC000508719495 1003159925 /nfs/dbraw/zinc/15/99/25/1003159925.db2.gz KWJUHZZNYZHZTO-DFCKQENNSA-N 2 1 407.602 3.869 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722659 1003162922 /nfs/dbraw/zinc/16/29/22/1003162922.db2.gz YFYOKSXVKLUOTL-NFBKMPQASA-N 2 1 417.557 3.522 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722661 1003164042 /nfs/dbraw/zinc/16/40/42/1003164042.db2.gz YFYOKSXVKLUOTL-OFNKIYASSA-N 2 1 417.557 3.522 20 0 HHADMP C[C@H](NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000508849351 1003270214 /nfs/dbraw/zinc/27/02/14/1003270214.db2.gz BMWXPMJUUJYWOU-BGWNEDDSSA-N 2 1 408.590 3.841 20 0 HHADMP C[C@H]1C[NH+](CC2CC[NH+](CCOc3ccccc3Br)CC2)C[C@H](C)O1 ZINC000508856390 1003276259 /nfs/dbraw/zinc/27/62/59/1003276259.db2.gz AKDXWGJSKRZPCK-IRXDYDNUSA-N 2 1 411.384 3.649 20 0 HHADMP CCC[C@@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccn1 ZINC000500479543 1003739836 /nfs/dbraw/zinc/73/98/36/1003739836.db2.gz PIWOPQBPOHVRMU-JOCHJYFZSA-N 2 1 400.611 3.620 20 0 HHADMP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CCOCC1)c1ccccc1 ZINC000500482202 1003741065 /nfs/dbraw/zinc/74/10/65/1003741065.db2.gz BIDUKZQWJLGLOR-XUZZJYLKSA-N 2 1 421.585 3.667 20 0 HHADMP CC[N@@H+](C)[C@@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccccc1 ZINC000500502915 1003750012 /nfs/dbraw/zinc/75/00/12/1003750012.db2.gz PPMMCRHLSDNUPF-NZQKXSOJSA-N 2 1 409.574 3.696 20 0 HHADMP CC[N@@H+](C)[C@@H](C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1ccccc1 ZINC000500502914 1003750216 /nfs/dbraw/zinc/75/02/16/1003750216.db2.gz PPMMCRHLSDNUPF-NFBKMPQASA-N 2 1 409.574 3.696 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000500719439 1003919184 /nfs/dbraw/zinc/91/91/84/1003919184.db2.gz ZOCIKFPLSAABAN-NFBKMPQASA-N 2 1 421.589 3.775 20 0 HHADMP C[NH+](C)CCCC1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000500779425 1003951229 /nfs/dbraw/zinc/95/12/29/1003951229.db2.gz OMLFTMAFMWSKEY-CWAQXLGLSA-N 2 1 412.622 3.945 20 0 HHADMP CC[C@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000500802258 1003966609 /nfs/dbraw/zinc/96/66/09/1003966609.db2.gz DIWYNUYYFAHVAN-HSZRJFAPSA-N 2 1 400.611 3.587 20 0 HHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C[C@H](C)O1 ZINC000512036667 1003971697 /nfs/dbraw/zinc/97/16/97/1003971697.db2.gz ATCHADWDCDDXFL-CALCHBBNSA-N 2 1 410.484 3.870 20 0 HHADMP CC(C)(C)[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000512120662 1004037187 /nfs/dbraw/zinc/03/71/87/1004037187.db2.gz HEUZJWOSWASLEM-NRFANRHFSA-N 2 1 400.611 3.849 20 0 HHADMP C[C@@H](C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000512139255 1004051169 /nfs/dbraw/zinc/05/11/69/1004051169.db2.gz KRXPJJFQQBQBSJ-HBMCJLEFSA-N 2 1 421.589 3.604 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000512171292 1004074792 /nfs/dbraw/zinc/07/47/92/1004074792.db2.gz GPSUOHDFRWCXSN-GOTSBHOMSA-N 2 1 408.590 3.889 20 0 HHADMP Cc1ccc(NCCCNC(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[nH+]c1 ZINC000509808575 1004114087 /nfs/dbraw/zinc/11/40/87/1004114087.db2.gz UYHLJEMLCMGLCR-IFMALSPDSA-N 2 1 409.578 3.792 20 0 HHADMP Cc1ccc(NCCCNC(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[nH+]c1 ZINC000509808575 1004114095 /nfs/dbraw/zinc/11/40/95/1004114095.db2.gz UYHLJEMLCMGLCR-IFMALSPDSA-N 2 1 409.578 3.792 20 0 HHADMP COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501018720 1004121995 /nfs/dbraw/zinc/12/19/95/1004121995.db2.gz FXTOZNOTZZQLSM-MOPGFXCFSA-N 2 1 410.562 3.504 20 0 HHADMP Cc1ccc([C@@H](NC(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)C2CC2)cc1 ZINC000501025538 1004129633 /nfs/dbraw/zinc/12/96/33/1004129633.db2.gz ZAPICRFEIBGYIP-RUZDIDTESA-N 2 1 406.574 3.806 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@H](c3ccc(Br)cc3)[C@H]2C)CC1 ZINC000501062007 1004164560 /nfs/dbraw/zinc/16/45/60/1004164560.db2.gz WSMFZWOEWCIBBJ-NQIIRXRSSA-N 2 1 424.427 3.627 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@H](c3ccc(Br)cc3)[C@H]2C)CC1 ZINC000501062007 1004164566 /nfs/dbraw/zinc/16/45/66/1004164566.db2.gz WSMFZWOEWCIBBJ-NQIIRXRSSA-N 2 1 424.427 3.627 20 0 HHADMP CS(=O)(=O)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512280718 1004182141 /nfs/dbraw/zinc/18/21/41/1004182141.db2.gz PLWNYOJPMAQWPT-WXFUMESZSA-N 2 1 412.599 3.622 20 0 HHADMP CCC[N@H+](CC(=O)N(C)[C@H](C)CC(C)C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512280732 1004182349 /nfs/dbraw/zinc/18/23/49/1004182349.db2.gz POVXHMOFIBWXKN-LJQANCHMSA-N 2 1 403.615 3.667 20 0 HHADMP CCC[N@@H+](CC(=O)N(C)[C@H](C)CC(C)C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512280732 1004182354 /nfs/dbraw/zinc/18/23/54/1004182354.db2.gz POVXHMOFIBWXKN-LJQANCHMSA-N 2 1 403.615 3.667 20 0 HHADMP CCC[N@H+](C[C@H](O)COc1ccccc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512282657 1004184545 /nfs/dbraw/zinc/18/45/45/1004184545.db2.gz MYTHKUQEAYPQJS-QFIPXVFZSA-N 2 1 412.578 3.523 20 0 HHADMP CCC[N@@H+](C[C@H](O)COc1ccccc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512282657 1004184555 /nfs/dbraw/zinc/18/45/55/1004184555.db2.gz MYTHKUQEAYPQJS-QFIPXVFZSA-N 2 1 412.578 3.523 20 0 HHADMP C[NH+](C)CCCC1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000501085172 1004190970 /nfs/dbraw/zinc/19/09/70/1004190970.db2.gz MSTXZUBIYPAQBM-TZIWHRDSSA-N 2 1 406.640 3.894 20 0 HHADMP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000501090526 1004196640 /nfs/dbraw/zinc/19/66/40/1004196640.db2.gz SLSUFGYXBVGQKG-IBGZPJMESA-N 2 1 423.561 3.583 20 0 HHADMP C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501090534 1004196849 /nfs/dbraw/zinc/19/68/49/1004196849.db2.gz SNASVSAHGASCBH-INIZCTEOSA-N 2 1 418.488 3.858 20 0 HHADMP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1OCC(=O)N(C)C ZINC000512312538 1004209430 /nfs/dbraw/zinc/20/94/30/1004209430.db2.gz DREYQXSUKJDVEC-JQVVWYNYSA-N 2 1 401.595 3.847 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CCC([NH+]3CCCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000512407529 1004276261 /nfs/dbraw/zinc/27/62/61/1004276261.db2.gz WGHXOGZWYFMWON-FYYLOGMGSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000512423916 1004289720 /nfs/dbraw/zinc/28/97/20/1004289720.db2.gz LNBNMKPJVQIVMC-GMKZXUHWSA-N 2 1 412.622 3.947 20 0 HHADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000510098529 1004322456 /nfs/dbraw/zinc/32/24/56/1004322456.db2.gz GZNWTDMUADNLMA-HSZRJFAPSA-N 2 1 424.589 3.767 20 0 HHADMP CO[C@H](C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1ccc(Cl)cc1 ZINC000512480740 1004333538 /nfs/dbraw/zinc/33/35/38/1004333538.db2.gz PYZFWVAVBVSBPJ-BJKOFHAPSA-N 2 1 413.993 3.920 20 0 HHADMP CO[C@H](C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccc(Cl)cc1 ZINC000512480740 1004333542 /nfs/dbraw/zinc/33/35/42/1004333542.db2.gz PYZFWVAVBVSBPJ-BJKOFHAPSA-N 2 1 413.993 3.920 20 0 HHADMP Fc1ccc(CN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c2ncccc12 ZINC000512481759 1004334417 /nfs/dbraw/zinc/33/44/17/1004334417.db2.gz XZDMKPNXQVMVJS-QFIPXVFZSA-N 2 1 404.533 3.766 20 0 HHADMP C[NH+](Cc1cc(Br)ccc1C[N@H+](C)[C@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000510143277 1004353485 /nfs/dbraw/zinc/35/34/85/1004353485.db2.gz LQWRWVADUFCGEG-VQTJNVASSA-N 2 1 411.384 3.671 20 0 HHADMP C[NH+](Cc1ccc(Br)cc1C[N@H+](C)[C@@H]1CCCOC1)[C@H]1CCCOC1 ZINC000510143277 1004353493 /nfs/dbraw/zinc/35/34/93/1004353493.db2.gz LQWRWVADUFCGEG-VQTJNVASSA-N 2 1 411.384 3.671 20 0 HHADMP C[NH+](Cc1ccc(Br)cc1C[N@@H+](C)[C@@H]1CCCOC1)[C@H]1CCCOC1 ZINC000510143277 1004353501 /nfs/dbraw/zinc/35/35/01/1004353501.db2.gz LQWRWVADUFCGEG-VQTJNVASSA-N 2 1 411.384 3.671 20 0 HHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000501388902 1004385088 /nfs/dbraw/zinc/38/50/88/1004385088.db2.gz VLDFUBDMDRFMSI-YUVXSKOASA-N 2 1 412.578 3.919 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4ccccc4CN4CCOCC4)[C@@H]3C2)cc1 ZINC000512622786 1004436416 /nfs/dbraw/zinc/43/64/16/1004436416.db2.gz CCGPEGZDGYFEKD-VJGNERBWSA-N 2 1 419.613 3.909 20 0 HHADMP CS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512633941 1004446421 /nfs/dbraw/zinc/44/64/21/1004446421.db2.gz BFWIGWLPMRKTKZ-GMKZXUHWSA-N 2 1 412.599 3.622 20 0 HHADMP CS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512633941 1004446428 /nfs/dbraw/zinc/44/64/28/1004446428.db2.gz BFWIGWLPMRKTKZ-GMKZXUHWSA-N 2 1 412.599 3.622 20 0 HHADMP O=C(NC1CC1)c1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512635490 1004447908 /nfs/dbraw/zinc/44/79/08/1004447908.db2.gz HNGKNKZEDFDBQV-ZKMPZPQNSA-N 2 1 403.570 3.969 20 0 HHADMP CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512637341 1004449480 /nfs/dbraw/zinc/44/94/80/1004449480.db2.gz UXDKCNLUORFZAY-CCDWMCETSA-N 2 1 405.586 3.821 20 0 HHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000512640963 1004452724 /nfs/dbraw/zinc/45/27/24/1004452724.db2.gz BWOQNIMLNJZGQE-KPJVPSPYSA-N 2 1 411.634 3.645 20 0 HHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000512640963 1004452728 /nfs/dbraw/zinc/45/27/28/1004452728.db2.gz BWOQNIMLNJZGQE-KPJVPSPYSA-N 3 1 411.634 3.645 20 0 HHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000512640963 1004452730 /nfs/dbraw/zinc/45/27/30/1004452730.db2.gz BWOQNIMLNJZGQE-KPJVPSPYSA-N 3 1 411.634 3.645 20 0 HHADMP CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)Cc2ccccc21 ZINC000512676993 1004485596 /nfs/dbraw/zinc/48/55/96/1004485596.db2.gz GJESIHNPJCMBNS-DEOSSOPVSA-N 2 1 421.585 3.880 20 0 HHADMP C[C@H]1C[C@@H](CCNC(=O)NC2CC[NH+](C3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000510345318 1004496986 /nfs/dbraw/zinc/49/69/86/1004496986.db2.gz ZBYXZLFTEPYIGQ-RBBKRZOGSA-N 2 1 412.622 3.993 20 0 HHADMP C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501534268 1004497570 /nfs/dbraw/zinc/49/75/70/1004497570.db2.gz CTXOECNLZOABMX-UXHICEINSA-N 2 1 406.574 3.986 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000512693849 1004499146 /nfs/dbraw/zinc/49/91/46/1004499146.db2.gz QDRPWONCENHVON-SZPZYZBQSA-N 2 1 408.590 3.651 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000512693849 1004499150 /nfs/dbraw/zinc/49/91/50/1004499150.db2.gz QDRPWONCENHVON-SZPZYZBQSA-N 2 1 408.590 3.651 20 0 HHADMP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512693161 1004499167 /nfs/dbraw/zinc/49/91/67/1004499167.db2.gz HKRGDGYUIVFUFX-MSOLQXFVSA-N 2 1 422.564 3.691 20 0 HHADMP FC(F)OC[C@@H]1CC[NH+](Cc2ccc(C[N@@H+]3CC[C@@H](COC(F)F)C3)cc2)C1 ZINC000512796586 1004563956 /nfs/dbraw/zinc/56/39/56/1004563956.db2.gz IMLPFOBXKJCOIW-QZTJIDSGSA-N 2 1 404.448 3.809 20 0 HHADMP c1nn([C@@H]2CC[NH+](CCC[N@H+]3CC[C@H](n4ncc5ccccc54)C3)C2)c2ccccc12 ZINC000510448126 1004573325 /nfs/dbraw/zinc/57/33/25/1004573325.db2.gz ZNICQQPPKLWBGO-ZRZAMGCNSA-N 2 1 414.557 3.970 20 0 HHADMP c1nn([C@@H]2CC[N@@H+](CCC[NH+]3CC[C@H](n4ncc5ccccc54)C3)C2)c2ccccc12 ZINC000510448126 1004573332 /nfs/dbraw/zinc/57/33/32/1004573332.db2.gz ZNICQQPPKLWBGO-ZRZAMGCNSA-N 2 1 414.557 3.970 20 0 HHADMP c1nn([C@@H]2CC[N@H+](CCC[NH+]3CC[C@H](n4ncc5ccccc54)C3)C2)c2ccccc12 ZINC000510448126 1004573338 /nfs/dbraw/zinc/57/33/38/1004573338.db2.gz ZNICQQPPKLWBGO-ZRZAMGCNSA-N 2 1 414.557 3.970 20 0 HHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000512810676 1004573434 /nfs/dbraw/zinc/57/34/34/1004573434.db2.gz VGHVQVZXCZZFGP-HKUYNNGSSA-N 2 1 403.368 3.968 20 0 HHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000512810676 1004573442 /nfs/dbraw/zinc/57/34/42/1004573442.db2.gz VGHVQVZXCZZFGP-HKUYNNGSSA-N 2 1 403.368 3.968 20 0 HHADMP CC(C)Oc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)[NH+](C)C)cc1 ZINC000512830678 1004588453 /nfs/dbraw/zinc/58/84/53/1004588453.db2.gz BLVICZUUOOOQPQ-GIWBLDEGSA-N 2 1 416.610 3.733 20 0 HHADMP C[C@H](NC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)C1=CC[NH+](C)CC1 ZINC000510480880 1004597232 /nfs/dbraw/zinc/59/72/32/1004597232.db2.gz LSKAXPULDVIJGG-PGRDOPGGSA-N 2 1 424.614 3.797 20 0 HHADMP C[C@H](NC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)C1=CC[NH+](C)CC1 ZINC000510480880 1004597242 /nfs/dbraw/zinc/59/72/42/1004597242.db2.gz LSKAXPULDVIJGG-PGRDOPGGSA-N 2 1 424.614 3.797 20 0 HHADMP C[C@H](NC(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)C1=CC[N@H+](C)CC1 ZINC000510480880 1004597253 /nfs/dbraw/zinc/59/72/53/1004597253.db2.gz LSKAXPULDVIJGG-PGRDOPGGSA-N 2 1 424.614 3.797 20 0 HHADMP C[C@H](NC(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)C1=CC[N@@H+](C)CC1 ZINC000510480880 1004597262 /nfs/dbraw/zinc/59/72/62/1004597262.db2.gz LSKAXPULDVIJGG-PGRDOPGGSA-N 2 1 424.614 3.797 20 0 HHADMP C[C@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510561330 1004703806 /nfs/dbraw/zinc/70/38/06/1004703806.db2.gz NCPFMTOZFZDJKV-ICSRJNTNSA-N 2 1 416.585 3.742 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000501770157 1004707536 /nfs/dbraw/zinc/70/75/36/1004707536.db2.gz NGLGWDDVZZMCBN-PZJWPPBQSA-N 2 1 421.651 3.871 20 0 HHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000510570082 1004714819 /nfs/dbraw/zinc/71/48/19/1004714819.db2.gz FAYSNUYXEZGBBC-SIKLNZKXSA-N 2 1 400.611 3.981 20 0 HHADMP C[C@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510575635 1004722073 /nfs/dbraw/zinc/72/20/73/1004722073.db2.gz ZMHLPLYBNDACES-IRFCIJBXSA-N 2 1 402.583 3.759 20 0 HHADMP C[C@@H](NC(=O)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510580991 1004728568 /nfs/dbraw/zinc/72/85/68/1004728568.db2.gz QSSQQJQOMVEJSF-VAPSRWTKSA-N 2 1 412.622 3.849 20 0 HHADMP C[C@@H](NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000510580991 1004728615 /nfs/dbraw/zinc/72/86/15/1004728615.db2.gz QSSQQJQOMVEJSF-VAPSRWTKSA-N 2 1 412.622 3.849 20 0 HHADMP C[C@@H](NC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000510580991 1004728620 /nfs/dbraw/zinc/72/86/20/1004728620.db2.gz QSSQQJQOMVEJSF-VAPSRWTKSA-N 2 1 412.622 3.849 20 0 HHADMP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000501811174 1004751197 /nfs/dbraw/zinc/75/11/97/1004751197.db2.gz VUBSFNQIHNHVHM-DEOSSOPVSA-N 2 1 406.574 3.659 20 0 HHADMP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000501833893 1004765646 /nfs/dbraw/zinc/76/56/46/1004765646.db2.gz XGFLKJWCGDGFHG-DEOSSOPVSA-N 2 1 424.564 3.880 20 0 HHADMP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000501833893 1004765652 /nfs/dbraw/zinc/76/56/52/1004765652.db2.gz XGFLKJWCGDGFHG-DEOSSOPVSA-N 2 1 424.564 3.880 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000513047122 1004776348 /nfs/dbraw/zinc/77/63/48/1004776348.db2.gz PXCVVDUOAROROZ-ZPZUNKDASA-N 2 1 421.585 3.738 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)CC[N@H+]1Cc1ccccc1 ZINC000513047122 1004776355 /nfs/dbraw/zinc/77/63/55/1004776355.db2.gz PXCVVDUOAROROZ-ZPZUNKDASA-N 2 1 421.585 3.738 20 0 HHADMP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000513056217 1004783028 /nfs/dbraw/zinc/78/30/28/1004783028.db2.gz FMRLSJCSCKXDNN-WMZHIEFXSA-N 2 1 421.651 3.848 20 0 HHADMP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CC[C@H]1CCCC[NH+]1C ZINC000502018210 1004863748 /nfs/dbraw/zinc/86/37/48/1004863748.db2.gz SDWZVMWIEXPOHH-PMOQBDJRSA-N 2 1 400.611 3.713 20 0 HHADMP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CC[C@H]1CCCC[NH+]1C ZINC000502018210 1004863755 /nfs/dbraw/zinc/86/37/55/1004863755.db2.gz SDWZVMWIEXPOHH-PMOQBDJRSA-N 2 1 400.611 3.713 20 0 HHADMP CC[C@H](C)[C@@H]1C[NH+](Cc2ccc(C)nc2)CCN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000502018210 1004863761 /nfs/dbraw/zinc/86/37/61/1004863761.db2.gz SDWZVMWIEXPOHH-PMOQBDJRSA-N 2 1 400.611 3.713 20 0 HHADMP CC[C@H](C)[C@@H]1C[NH+](Cc2ccc(C)nc2)CCN1C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000502018210 1004863769 /nfs/dbraw/zinc/86/37/69/1004863769.db2.gz SDWZVMWIEXPOHH-PMOQBDJRSA-N 2 1 400.611 3.713 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@@H]3CCC[N@@H+]3Cc3ccccc3)cc2)C[C@@H](C)O1 ZINC000513234641 1004874002 /nfs/dbraw/zinc/87/40/02/1004874002.db2.gz ZUYJQEUFYOUOOO-OTPAQWSUSA-N 2 1 421.585 3.690 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@@H]3CCC[N@H+]3Cc3ccccc3)cc2)C[C@@H](C)O1 ZINC000513234641 1004874005 /nfs/dbraw/zinc/87/40/05/1004874005.db2.gz ZUYJQEUFYOUOOO-OTPAQWSUSA-N 2 1 421.585 3.690 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000513326810 1004913587 /nfs/dbraw/zinc/91/35/87/1004913587.db2.gz XHTMEJGLHUXJHV-BWKNWUBXSA-N 3 1 407.602 3.786 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC000513326810 1004913590 /nfs/dbraw/zinc/91/35/90/1004913590.db2.gz XHTMEJGLHUXJHV-BWKNWUBXSA-N 3 1 407.602 3.786 20 0 HHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000510978750 1004964156 /nfs/dbraw/zinc/96/41/56/1004964156.db2.gz NIKGOYZMCCIJOF-ZDUSSCGKSA-N 2 1 403.328 3.584 20 0 HHADMP CCCC[NH+]1CCC(NC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000502225766 1004966388 /nfs/dbraw/zinc/96/63/88/1004966388.db2.gz XWWNRUGJLKAIOW-UHFFFAOYSA-N 2 1 407.002 3.822 20 0 HHADMP CCCC[NH+]1CCC(NC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000502225766 1004966391 /nfs/dbraw/zinc/96/63/91/1004966391.db2.gz XWWNRUGJLKAIOW-UHFFFAOYSA-N 2 1 407.002 3.822 20 0 HHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(OCCCc4ccccc4)c3)C2)CC1 ZINC000513448474 1004970994 /nfs/dbraw/zinc/97/09/94/1004970994.db2.gz SRFLFNMOWNYVNC-VWLOTQADSA-N 2 1 407.602 3.910 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000513448297 1004971117 /nfs/dbraw/zinc/97/11/17/1004971117.db2.gz QZXBVJMIAPRFBL-WIYYLYMNSA-N 2 1 411.512 3.822 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000513448297 1004971122 /nfs/dbraw/zinc/97/11/22/1004971122.db2.gz QZXBVJMIAPRFBL-WIYYLYMNSA-N 2 1 411.512 3.822 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000513448297 1004971127 /nfs/dbraw/zinc/97/11/27/1004971127.db2.gz QZXBVJMIAPRFBL-WIYYLYMNSA-N 2 1 411.512 3.822 20 0 HHADMP C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511004304 1004975772 /nfs/dbraw/zinc/97/57/72/1004975772.db2.gz YEOUYAXOXKRWQU-QFBILLFUSA-N 2 1 405.384 3.924 20 0 HHADMP C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511004304 1004975774 /nfs/dbraw/zinc/97/57/74/1004975774.db2.gz YEOUYAXOXKRWQU-QFBILLFUSA-N 2 1 405.384 3.924 20 0 HHADMP CCN(C(C)=O)c1nc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cs1 ZINC000513514750 1004999462 /nfs/dbraw/zinc/99/94/62/1004999462.db2.gz YMTNUOZYQJKKQD-YLJYHZDGSA-N 2 1 400.592 3.906 20 0 HHADMP CCN(C(C)=O)c1nc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cs1 ZINC000513514750 1004999467 /nfs/dbraw/zinc/99/94/67/1004999467.db2.gz YMTNUOZYQJKKQD-YLJYHZDGSA-N 2 1 400.592 3.906 20 0 HHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000511080248 1005010073 /nfs/dbraw/zinc/01/00/73/1005010073.db2.gz ICHFYRPECULOSG-SFHVURJKSA-N 2 1 411.512 3.874 20 0 HHADMP C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511232036 1005083814 /nfs/dbraw/zinc/08/38/14/1005083814.db2.gz QXVSNUSIFXSHGA-FDFHNCONSA-N 2 1 404.643 3.793 20 0 HHADMP C[C@@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511233261 1005084637 /nfs/dbraw/zinc/08/46/37/1005084637.db2.gz LLPLTGWEMFRZLZ-WOJBJXKFSA-N 2 1 422.683 3.690 20 0 HHADMP C[C@@H](NC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C1=CC[N@H+](C)CC1 ZINC000511236371 1005085944 /nfs/dbraw/zinc/08/59/44/1005085944.db2.gz VFTBLRKSMQNVPQ-OAQYLSRUSA-N 2 1 418.585 3.754 20 0 HHADMP C[C@@H](NC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000511236371 1005085948 /nfs/dbraw/zinc/08/59/48/1005085948.db2.gz VFTBLRKSMQNVPQ-OAQYLSRUSA-N 2 1 418.585 3.754 20 0 HHADMP COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)c2)cc1 ZINC000513696643 1005086132 /nfs/dbraw/zinc/08/61/32/1005086132.db2.gz BUUYGMRBAALVHG-RBZQAINGSA-N 2 1 423.557 3.789 20 0 HHADMP COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)c2)cc1 ZINC000513696644 1005086150 /nfs/dbraw/zinc/08/61/50/1005086150.db2.gz BUUYGMRBAALVHG-SMIHKQSGSA-N 2 1 423.557 3.789 20 0 HHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)CC1 ZINC000513702084 1005088522 /nfs/dbraw/zinc/08/85/22/1005088522.db2.gz DOJDUEASLXBBNN-UHFFFAOYSA-N 2 1 415.578 3.930 20 0 HHADMP C[C@H](CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[N@@H+]1CCc2sccc2C1 ZINC000502502878 1005094608 /nfs/dbraw/zinc/09/46/08/1005094608.db2.gz RQPMCJPVUBQDGP-KMFTYDHNSA-N 2 1 418.651 3.837 20 0 HHADMP C[C@H](CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[N@H+]1CCc2sccc2C1 ZINC000502502878 1005094615 /nfs/dbraw/zinc/09/46/15/1005094615.db2.gz RQPMCJPVUBQDGP-KMFTYDHNSA-N 2 1 418.651 3.837 20 0 HHADMP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511268879 1005099844 /nfs/dbraw/zinc/09/98/44/1005099844.db2.gz NCULMYUMXLEBPA-QUCCMNQESA-N 2 1 404.574 3.552 20 0 HHADMP C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511289333 1005109355 /nfs/dbraw/zinc/10/93/55/1005109355.db2.gz QQCWQGONGLOIDC-GREBRCKQSA-N 2 1 401.570 3.949 20 0 HHADMP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511289333 1005109363 /nfs/dbraw/zinc/10/93/63/1005109363.db2.gz QQCWQGONGLOIDC-GREBRCKQSA-N 2 1 401.570 3.949 20 0 HHADMP C[C@H](NC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511289333 1005109367 /nfs/dbraw/zinc/10/93/67/1005109367.db2.gz QQCWQGONGLOIDC-GREBRCKQSA-N 2 1 401.570 3.949 20 0 HHADMP C[C@H](NC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511289333 1005109369 /nfs/dbraw/zinc/10/93/69/1005109369.db2.gz QQCWQGONGLOIDC-GREBRCKQSA-N 2 1 401.570 3.949 20 0 HHADMP Cc1ccc(NCCCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[nH+]c1 ZINC000511443126 1005178577 /nfs/dbraw/zinc/17/85/77/1005178577.db2.gz UXQPCIXSQKHFJF-NRFANRHFSA-N 2 1 409.578 3.792 20 0 HHADMP Cc1ccc(NCCCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[nH+]c1 ZINC000511443126 1005178579 /nfs/dbraw/zinc/17/85/79/1005178579.db2.gz UXQPCIXSQKHFJF-NRFANRHFSA-N 2 1 409.578 3.792 20 0 HHADMP C[C@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000502799745 1005222819 /nfs/dbraw/zinc/22/28/19/1005222819.db2.gz SYWGCUOCOGIZOP-QZTJIDSGSA-N 2 1 414.619 3.923 20 0 HHADMP C[C@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000502799745 1005222823 /nfs/dbraw/zinc/22/28/23/1005222823.db2.gz SYWGCUOCOGIZOP-QZTJIDSGSA-N 2 1 414.619 3.923 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[NH+](C)C ZINC000502821334 1005232171 /nfs/dbraw/zinc/23/21/71/1005232171.db2.gz FJLVMXNYFLVFAM-QETWGEEDSA-N 2 1 416.610 3.640 20 0 HHADMP CC1CC[NH+](C2CCC(NC(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)CC2)CC1 ZINC000502833190 1005237576 /nfs/dbraw/zinc/23/75/76/1005237576.db2.gz SUDRODSITYQBMD-QURIUFGUSA-N 2 1 402.627 3.688 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000502835183 1005238365 /nfs/dbraw/zinc/23/83/65/1005238365.db2.gz YUBBBZFPSYHCON-UHFFFAOYSA-N 2 1 400.611 3.981 20 0 HHADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2csc(-c3ccsc3)n2)CC1 ZINC000511627966 1005251170 /nfs/dbraw/zinc/25/11/70/1005251170.db2.gz OELPLYOAYJBGLD-UHFFFAOYSA-N 2 1 420.648 3.788 20 0 HHADMP CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N1CC[NH+](C)CC1 ZINC000514094996 1005263101 /nfs/dbraw/zinc/26/31/01/1005263101.db2.gz PGXGSODEMWYUTI-SSUZURRFSA-N 3 1 412.666 3.539 20 0 HHADMP CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N1CCN(C)CC1 ZINC000514094996 1005263105 /nfs/dbraw/zinc/26/31/05/1005263105.db2.gz PGXGSODEMWYUTI-SSUZURRFSA-N 2 1 412.666 3.539 20 0 HHADMP CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N1CCN(C)CC1 ZINC000514094996 1005263109 /nfs/dbraw/zinc/26/31/09/1005263109.db2.gz PGXGSODEMWYUTI-SSUZURRFSA-N 2 1 412.666 3.539 20 0 HHADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000514154829 1005292147 /nfs/dbraw/zinc/29/21/47/1005292147.db2.gz YTCFQHWIZDKDMR-RUZDIDTESA-N 2 1 420.601 3.611 20 0 HHADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000514154829 1005292151 /nfs/dbraw/zinc/29/21/51/1005292151.db2.gz YTCFQHWIZDKDMR-RUZDIDTESA-N 2 1 420.601 3.611 20 0 HHADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000514154829 1005292156 /nfs/dbraw/zinc/29/21/56/1005292156.db2.gz YTCFQHWIZDKDMR-RUZDIDTESA-N 2 1 420.601 3.611 20 0 HHADMP C[C@@H]1C[N@H+](C2CCN(C(=O)c3cccc(C[NH+](C)Cc4ccccc4)c3)CC2)CCO1 ZINC000511754542 1005308312 /nfs/dbraw/zinc/30/83/12/1005308312.db2.gz PNALQVCYDJDDGP-OAQYLSRUSA-N 2 1 421.585 3.644 20 0 HHADMP C[C@@H]1C[NH+](C2CCN(C(=O)c3cccc(C[N@H+](C)Cc4ccccc4)c3)CC2)CCO1 ZINC000511754542 1005308315 /nfs/dbraw/zinc/30/83/15/1005308315.db2.gz PNALQVCYDJDDGP-OAQYLSRUSA-N 2 1 421.585 3.644 20 0 HHADMP C[C@@H]1C[NH+](C2CCN(C(=O)c3cccc(C[N@@H+](C)Cc4ccccc4)c3)CC2)CCO1 ZINC000511754542 1005308319 /nfs/dbraw/zinc/30/83/19/1005308319.db2.gz PNALQVCYDJDDGP-OAQYLSRUSA-N 2 1 421.585 3.644 20 0 HHADMP C[C@@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000502998890 1005309861 /nfs/dbraw/zinc/30/98/61/1005309861.db2.gz UCYVPIYKVOYMKW-UWJYYQICSA-N 2 1 403.364 3.779 20 0 HHADMP C[C@@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000502998890 1005309865 /nfs/dbraw/zinc/30/98/65/1005309865.db2.gz UCYVPIYKVOYMKW-UWJYYQICSA-N 2 1 403.364 3.779 20 0 HHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000514243274 1005329664 /nfs/dbraw/zinc/32/96/64/1005329664.db2.gz QOKNESLSOFWUET-RUZDIDTESA-N 2 1 417.553 3.907 20 0 HHADMP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+](C)CCCn3cc[nH+]c3C)ccc2c1 ZINC000503076110 1005340471 /nfs/dbraw/zinc/34/04/71/1005340471.db2.gz XGCMVMZZCPLZGQ-GOSISDBHSA-N 2 1 408.546 3.722 20 0 HHADMP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+](C)CCCn3cc[nH+]c3C)ccc2c1 ZINC000503076110 1005340475 /nfs/dbraw/zinc/34/04/75/1005340475.db2.gz XGCMVMZZCPLZGQ-GOSISDBHSA-N 2 1 408.546 3.722 20 0 HHADMP C[N@@H+](Cc1ccccc1CNC(=O)NCCC1CC[NH+](C)CC1)C1CCCCC1 ZINC000503426200 1005416717 /nfs/dbraw/zinc/41/67/17/1005416717.db2.gz ZMTFSUMHHSMTGE-UHFFFAOYSA-N 2 1 400.611 3.982 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000503473390 1005431290 /nfs/dbraw/zinc/43/12/90/1005431290.db2.gz NWQUAAQIIYLLCH-ILBGXUMGSA-N 2 1 420.601 3.687 20 0 HHADMP CCN(CC)[C@@H](CNC(=O)N1CCC(n2ccnc2)CC1)c1ccccc1Cl ZINC000503495332 1005436747 /nfs/dbraw/zinc/43/67/47/1005436747.db2.gz FRVYYRBFAKPTTG-FQEVSTJZSA-N 2 1 403.958 3.966 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cc(F)cc2cccnc21 ZINC000503566649 1005454450 /nfs/dbraw/zinc/45/44/50/1005454450.db2.gz HUQITEYSMRHIHV-UHFFFAOYSA-N 2 1 412.553 3.642 20 0 HHADMP CCc1ccc([C@@H](CNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)[NH+](C)C)cc1 ZINC000514438704 1005990166 /nfs/dbraw/zinc/99/01/66/1005990166.db2.gz TZRGIIKOBXVTRK-XMMPIXPASA-N 2 1 408.590 3.769 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000534055144 1006024896 /nfs/dbraw/zinc/02/48/96/1006024896.db2.gz RXWAPBBHCBLSND-RTWAWAEBSA-N 2 1 407.002 3.897 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000534055144 1006024907 /nfs/dbraw/zinc/02/49/07/1006024907.db2.gz RXWAPBBHCBLSND-RTWAWAEBSA-N 2 1 407.002 3.897 20 0 HHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2c1cc(Cl)cc2Br ZINC000534058116 1006029606 /nfs/dbraw/zinc/02/96/06/1006029606.db2.gz PWJJPQHDFPLCCK-KSSFIOAISA-N 2 1 401.776 3.916 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000531317686 1006117770 /nfs/dbraw/zinc/11/77/70/1006117770.db2.gz HXARXOAUAGYIHJ-OAQYLSRUSA-N 2 1 402.970 3.894 20 0 HHADMP C[NH+]1CCN(C[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc2)CC1 ZINC000514838589 1006167301 /nfs/dbraw/zinc/16/73/01/1006167301.db2.gz TWAGAKALPBWRTG-JVYGEBFASA-N 2 1 418.629 3.760 20 0 HHADMP COc1ccccc1[C@@H](C)NC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534229515 1006228372 /nfs/dbraw/zinc/22/83/72/1006228372.db2.gz LYOWJIAYHBSBAP-OAQYLSRUSA-N 2 1 421.585 3.861 20 0 HHADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000534249470 1006257509 /nfs/dbraw/zinc/25/75/09/1006257509.db2.gz GOZOVGTZNYGPOW-FCHUYYIVSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534249470 1006257518 /nfs/dbraw/zinc/25/75/18/1006257518.db2.gz GOZOVGTZNYGPOW-FCHUYYIVSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534249470 1006257529 /nfs/dbraw/zinc/25/75/29/1006257529.db2.gz GOZOVGTZNYGPOW-FCHUYYIVSA-N 2 1 412.622 3.805 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534249344 1006257596 /nfs/dbraw/zinc/25/75/96/1006257596.db2.gz CYKDAIBWZORHQB-WIYYLYMNSA-N 2 1 424.992 3.893 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000531540451 1006264890 /nfs/dbraw/zinc/26/48/90/1006264890.db2.gz OWPINEHBTHELJX-WIYYLYMNSA-N 2 1 407.002 3.754 20 0 HHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000534282742 1006280273 /nfs/dbraw/zinc/28/02/73/1006280273.db2.gz CETKOOCQAIKMKT-HXUWFJFHSA-N 2 1 418.651 3.914 20 0 HHADMP COc1c(Br)cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1Br ZINC000534342433 1006308578 /nfs/dbraw/zinc/30/85/78/1006308578.db2.gz FKOFFFQONBFXEU-LBPRGKRZSA-N 2 1 420.189 3.994 20 0 HHADMP COc1c(Br)cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1Br ZINC000534342433 1006308591 /nfs/dbraw/zinc/30/85/91/1006308591.db2.gz FKOFFFQONBFXEU-LBPRGKRZSA-N 2 1 420.189 3.994 20 0 HHADMP COc1c(Br)cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1Br ZINC000534342433 1006308599 /nfs/dbraw/zinc/30/85/99/1006308599.db2.gz FKOFFFQONBFXEU-LBPRGKRZSA-N 2 1 420.189 3.994 20 0 HHADMP COc1c(Br)cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1Br ZINC000534342433 1006308611 /nfs/dbraw/zinc/30/86/11/1006308611.db2.gz FKOFFFQONBFXEU-LBPRGKRZSA-N 2 1 420.189 3.994 20 0 HHADMP C[NH+](C)CCOc1cccc(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000515152487 1006315303 /nfs/dbraw/zinc/31/53/03/1006315303.db2.gz UNHISXVSOAEXJX-FQEVSTJZSA-N 2 1 404.942 3.705 20 0 HHADMP C[NH+](C)CCOc1cccc(NC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000515152491 1006315447 /nfs/dbraw/zinc/31/54/47/1006315447.db2.gz UNHISXVSOAEXJX-HXUWFJFHSA-N 2 1 404.942 3.705 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000515291715 1006381487 /nfs/dbraw/zinc/38/14/87/1006381487.db2.gz HZZBHWGRFJEMRG-NQIIRXRSSA-N 2 1 400.954 3.516 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000515291715 1006381493 /nfs/dbraw/zinc/38/14/93/1006381493.db2.gz HZZBHWGRFJEMRG-NQIIRXRSSA-N 2 1 400.954 3.516 20 0 HHADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)CC[C@@H]21 ZINC000531738867 1006390399 /nfs/dbraw/zinc/39/03/99/1006390399.db2.gz CLNBIIAZQBAOGW-JRGCBEDISA-N 2 1 404.986 3.603 20 0 HHADMP CC(C)(C)[NH+]1CCCN(c2nc(N3CCC[N@H+](C(C)(C)C)CC3)ncc2Cl)CC1 ZINC000531758547 1006402456 /nfs/dbraw/zinc/40/24/56/1006402456.db2.gz KVHDHHSNAVFGKW-UHFFFAOYSA-N 2 1 423.049 3.751 20 0 HHADMP CC(C)(C)[NH+]1CCCN(c2ncc(Cl)c(N3CCC[N@@H+](C(C)(C)C)CC3)n2)CC1 ZINC000531758547 1006402461 /nfs/dbraw/zinc/40/24/61/1006402461.db2.gz KVHDHHSNAVFGKW-UHFFFAOYSA-N 2 1 423.049 3.751 20 0 HHADMP CC(C)(C)[NH+]1CCCN(c2ncc(Cl)c(N3CCC[N@H+](C(C)(C)C)CC3)n2)CC1 ZINC000531758547 1006402469 /nfs/dbraw/zinc/40/24/69/1006402469.db2.gz KVHDHHSNAVFGKW-UHFFFAOYSA-N 2 1 423.049 3.751 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000515517466 1006510163 /nfs/dbraw/zinc/51/01/63/1006510163.db2.gz RNYWMPQJZXPYGM-RBUKOAKNSA-N 2 1 423.557 3.949 20 0 HHADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1)C2 ZINC000515563135 1006537771 /nfs/dbraw/zinc/53/77/71/1006537771.db2.gz SQAHAERGWSUPLH-DEOSSOPVSA-N 2 1 416.569 3.963 20 0 HHADMP CC[C@@H](C)n1nc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C ZINC000538354736 1006622701 /nfs/dbraw/zinc/62/27/01/1006622701.db2.gz WGUOTLVXQAJWJZ-GOSISDBHSA-N 2 1 418.630 3.823 20 0 HHADMP CCc1ccc([C@@H](CNC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)[NH+](C)C)cc1 ZINC000515799969 1006680077 /nfs/dbraw/zinc/68/00/77/1006680077.db2.gz IMXFXPBVLRUTAP-XMMPIXPASA-N 2 1 424.589 3.548 20 0 HHADMP C[C@H](CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000515825323 1006702684 /nfs/dbraw/zinc/70/26/84/1006702684.db2.gz OBQBLOWJGQGIDM-NHCUHLMSSA-N 2 1 400.611 3.840 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000515841430 1006711356 /nfs/dbraw/zinc/71/13/56/1006711356.db2.gz WECGTAYLQKUJIT-NRFANRHFSA-N 2 1 404.599 3.960 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000515844978 1006714513 /nfs/dbraw/zinc/71/45/13/1006714513.db2.gz PWZWSOCXMGUDHE-UHFFFAOYSA-N 2 1 410.672 3.502 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)cc1 ZINC000532208922 1006722868 /nfs/dbraw/zinc/72/28/68/1006722868.db2.gz DLUYYRUDULILRN-SFHVURJKSA-N 2 1 404.514 3.504 20 0 HHADMP C[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000534827192 1006838864 /nfs/dbraw/zinc/83/88/64/1006838864.db2.gz FKWPRPCNLADGPQ-NHCUHLMSSA-N 2 1 400.954 3.646 20 0 HHADMP C[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000534827192 1006838874 /nfs/dbraw/zinc/83/88/74/1006838874.db2.gz FKWPRPCNLADGPQ-NHCUHLMSSA-N 2 1 400.954 3.646 20 0 HHADMP COc1cc(C)c([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1OC ZINC000532442196 1006885608 /nfs/dbraw/zinc/88/56/08/1006885608.db2.gz GYOIKDXKVJZDGI-IEBWSBKVSA-N 2 1 403.592 3.713 20 0 HHADMP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000532550000 1006981673 /nfs/dbraw/zinc/98/16/73/1006981673.db2.gz KQVXNBPSFRQMQT-KSZLIROESA-N 2 1 407.986 3.797 20 0 HHADMP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000532550000 1006981688 /nfs/dbraw/zinc/98/16/88/1006981688.db2.gz KQVXNBPSFRQMQT-KSZLIROESA-N 2 1 407.986 3.797 20 0 HHADMP C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000538723154 1006998285 /nfs/dbraw/zinc/99/82/85/1006998285.db2.gz MYMNCWUFCGEWDG-NFBKMPQASA-N 2 1 409.622 3.628 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000538723154 1006998292 /nfs/dbraw/zinc/99/82/92/1006998292.db2.gz MYMNCWUFCGEWDG-NFBKMPQASA-N 2 1 409.622 3.628 20 0 HHADMP Cc1ccc(-n2cc(C[N@@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000538723186 1006998585 /nfs/dbraw/zinc/99/85/85/1006998585.db2.gz NVLYTHQMYPDAJY-URXFXBBRSA-N 2 1 423.649 3.936 20 0 HHADMP Cc1ccc(-n2cc(C[N@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000538723186 1006998595 /nfs/dbraw/zinc/99/85/95/1006998595.db2.gz NVLYTHQMYPDAJY-URXFXBBRSA-N 2 1 423.649 3.936 20 0 HHADMP Cn1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c(-c2ccncc2)n1 ZINC000538725507 1007003578 /nfs/dbraw/zinc/00/35/78/1007003578.db2.gz ZOKSNOODDKPFEQ-UHFFFAOYSA-N 2 1 401.558 3.970 20 0 HHADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000538724940 1007003754 /nfs/dbraw/zinc/00/37/54/1007003754.db2.gz KGFIMBUEYZSVHF-LJQANCHMSA-N 2 1 418.626 3.928 20 0 HHADMP C[C@@H](C(=O)NCc1ccccc1F)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534963745 1007014664 /nfs/dbraw/zinc/01/46/64/1007014664.db2.gz KDXPWBFUWBKPEX-FQEVSTJZSA-N 2 1 409.549 3.819 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000516325683 1007016072 /nfs/dbraw/zinc/01/60/72/1007016072.db2.gz UNCDNKFBNPKYEH-NHCUHLMSSA-N 2 1 401.595 3.538 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534986271 1007044856 /nfs/dbraw/zinc/04/48/56/1007044856.db2.gz GWVDAQOGOBILMK-LVCYWYKZSA-N 2 1 422.976 3.742 20 0 HHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000516579605 1007167075 /nfs/dbraw/zinc/16/70/75/1007167075.db2.gz BTEPLBPUFHZXMW-UHFFFAOYSA-N 2 1 420.648 3.721 20 0 HHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000516579605 1007167083 /nfs/dbraw/zinc/16/70/83/1007167083.db2.gz BTEPLBPUFHZXMW-UHFFFAOYSA-N 2 1 420.648 3.721 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1 ZINC000516582066 1007167143 /nfs/dbraw/zinc/16/71/43/1007167143.db2.gz PTRYXUHOJWHKKO-XXBNENTESA-N 2 1 412.553 3.734 20 0 HHADMP CCC1(CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000532813326 1007198488 /nfs/dbraw/zinc/19/84/88/1007198488.db2.gz CRTDCBUGZLYLIS-UNMCSNQZSA-N 2 1 400.611 3.660 20 0 HHADMP COCCn1c(C)cc(C(=O)C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000538946313 1007231686 /nfs/dbraw/zinc/23/16/86/1007231686.db2.gz OHQVLGKVKDPMGZ-UHFFFAOYSA-N 2 1 412.578 3.568 20 0 HHADMP COCCn1c(C)cc(C(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000538946313 1007231692 /nfs/dbraw/zinc/23/16/92/1007231692.db2.gz OHQVLGKVKDPMGZ-UHFFFAOYSA-N 2 1 412.578 3.568 20 0 HHADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000516765781 1007280069 /nfs/dbraw/zinc/28/00/69/1007280069.db2.gz QNJQKUUXHFLGTM-IRLDBZIGSA-N 2 1 413.537 3.974 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1nc2c(s1)CCCC2 ZINC000538987766 1007282459 /nfs/dbraw/zinc/28/24/59/1007282459.db2.gz NGJHCTVOUHTUNJ-LPHOPBHVSA-N 2 1 412.603 3.570 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1nc2c(s1)CCCC2 ZINC000538987766 1007282467 /nfs/dbraw/zinc/28/24/67/1007282467.db2.gz NGJHCTVOUHTUNJ-LPHOPBHVSA-N 2 1 412.603 3.570 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1nc2c(s1)CCCC2 ZINC000538987767 1007282703 /nfs/dbraw/zinc/28/27/03/1007282703.db2.gz NGJHCTVOUHTUNJ-QFBILLFUSA-N 2 1 412.603 3.570 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1nc2c(s1)CCCC2 ZINC000538987767 1007282727 /nfs/dbraw/zinc/28/27/27/1007282727.db2.gz NGJHCTVOUHTUNJ-QFBILLFUSA-N 2 1 412.603 3.570 20 0 HHADMP O=C(C[N@H+]1CC[C@@H](Cc2ccccc2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000532973914 1007343746 /nfs/dbraw/zinc/34/37/46/1007343746.db2.gz HAHGBYSXZFNRAD-QFIPXVFZSA-N 2 1 409.599 3.739 20 0 HHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1)CC(C)C ZINC000539100364 1007389269 /nfs/dbraw/zinc/38/92/69/1007389269.db2.gz VGNCLNDPKWRMFQ-IBGZPJMESA-N 2 1 405.549 3.867 20 0 HHADMP C[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC000535338822 1007390172 /nfs/dbraw/zinc/39/01/72/1007390172.db2.gz DKRNSFOGQFAEBU-RPWUZVMVSA-N 2 1 406.574 3.917 20 0 HHADMP CC[NH+](CC)CCOc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000535341886 1007395681 /nfs/dbraw/zinc/39/56/81/1007395681.db2.gz XMJFVLMSQSXGQZ-BJKOFHAPSA-N 2 1 424.589 3.652 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000533048075 1007409908 /nfs/dbraw/zinc/40/99/08/1007409908.db2.gz QUDKACVFSGZSQX-HYBUGGRVSA-N 2 1 406.574 3.778 20 0 HHADMP CC1(C)CN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000517114325 1007428092 /nfs/dbraw/zinc/42/80/92/1007428092.db2.gz IPRKCMASBRVQJP-UHFFFAOYSA-N 2 1 420.601 3.957 20 0 HHADMP COc1cc(C[NH+]2CCN(c3ccccc3OCC[NH+](C)C)CC2)ccc1SC ZINC000533072987 1007435642 /nfs/dbraw/zinc/43/56/42/1007435642.db2.gz KAROZWYRIDMXAK-UHFFFAOYSA-N 2 1 415.603 3.680 20 0 HHADMP CN1CC[C@@H]([NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000517226231 1007512255 /nfs/dbraw/zinc/51/22/55/1007512255.db2.gz HCDMAMQYBHOLKK-UODIDJSMSA-N 2 1 406.618 3.790 20 0 HHADMP C[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000535503054 1007558863 /nfs/dbraw/zinc/55/88/63/1007558863.db2.gz CDQXUAVNISHWFU-NHCUHLMSSA-N 2 1 404.986 3.791 20 0 HHADMP C[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000535503054 1007558874 /nfs/dbraw/zinc/55/88/74/1007558874.db2.gz CDQXUAVNISHWFU-NHCUHLMSSA-N 2 1 404.986 3.791 20 0 HHADMP COc1ccc(-c2csc(NC(=O)[C@@H](C)[NH+]3CCC(CC[NH+](C)C)CC3)n2)cc1 ZINC000533248451 1007567377 /nfs/dbraw/zinc/56/73/77/1007567377.db2.gz OSTQFQRCTHKVMH-MRXNPFEDSA-N 2 1 416.591 3.809 20 0 HHADMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)CC1 ZINC000533271795 1007586323 /nfs/dbraw/zinc/58/63/23/1007586323.db2.gz YZXMEKWFYXJOAS-UHFFFAOYSA-N 2 1 411.472 3.572 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)CC1 ZINC000533271795 1007586333 /nfs/dbraw/zinc/58/63/33/1007586333.db2.gz YZXMEKWFYXJOAS-UHFFFAOYSA-N 2 1 411.472 3.572 20 0 HHADMP C[N@@H+]1CC[C@H](NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000535560012 1007593206 /nfs/dbraw/zinc/59/32/06/1007593206.db2.gz PUHPZEXQZMZNHG-PCCBWWKXSA-N 2 1 404.986 3.745 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000535560012 1007593214 /nfs/dbraw/zinc/59/32/14/1007593214.db2.gz PUHPZEXQZMZNHG-PCCBWWKXSA-N 2 1 404.986 3.745 20 0 HHADMP CCC[NH+]1CCC([N@H+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)CC1 ZINC000533310321 1007626492 /nfs/dbraw/zinc/62/64/92/1007626492.db2.gz LJFLKKDMDPHKRJ-OAHLLOKOSA-N 2 1 401.624 3.747 20 0 HHADMP CCC[NH+]1CCC([N@@H+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)CC1 ZINC000533310321 1007626495 /nfs/dbraw/zinc/62/64/95/1007626495.db2.gz LJFLKKDMDPHKRJ-OAHLLOKOSA-N 2 1 401.624 3.747 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1F ZINC000535673456 1007694461 /nfs/dbraw/zinc/69/44/61/1007694461.db2.gz ZAFXAWVWZQGOGR-UTKZUKDTSA-N 2 1 418.582 3.831 20 0 HHADMP COc1cc(NC(=O)C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc(OC)c1 ZINC000535675999 1007700576 /nfs/dbraw/zinc/70/05/76/1007700576.db2.gz MXPHNJSSGDPJEP-UHFFFAOYSA-N 2 1 423.557 3.630 20 0 HHADMP COc1cc(NC(=O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc(OC)c1 ZINC000535675999 1007700580 /nfs/dbraw/zinc/70/05/80/1007700580.db2.gz MXPHNJSSGDPJEP-UHFFFAOYSA-N 2 1 423.557 3.630 20 0 HHADMP CCOCCC[N@H+]1CC[C@H](N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)[C@H](C)C1 ZINC000539395520 1007702324 /nfs/dbraw/zinc/70/23/24/1007702324.db2.gz PPKBKGSKZDZQQH-PUHATCMVSA-N 2 1 415.622 3.701 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)[C@H](C)C1 ZINC000539395520 1007702330 /nfs/dbraw/zinc/70/23/30/1007702330.db2.gz PPKBKGSKZDZQQH-PUHATCMVSA-N 3 1 415.622 3.701 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)[C@H](C)C1 ZINC000539395520 1007702346 /nfs/dbraw/zinc/70/23/46/1007702346.db2.gz PPKBKGSKZDZQQH-PUHATCMVSA-N 3 1 415.622 3.701 20 0 HHADMP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000533400940 1007712115 /nfs/dbraw/zinc/71/21/15/1007712115.db2.gz HCCGGXFOHGBXOO-OAHLLOKOSA-N 2 1 409.496 3.974 20 0 HHADMP C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000533400940 1007712129 /nfs/dbraw/zinc/71/21/29/1007712129.db2.gz HCCGGXFOHGBXOO-OAHLLOKOSA-N 2 1 409.496 3.974 20 0 HHADMP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535699301 1007735540 /nfs/dbraw/zinc/73/55/40/1007735540.db2.gz IBIRPNJTUPBRBL-UWJYYQICSA-N 2 1 424.992 3.988 20 0 HHADMP C[NH+](C)Cc1cccc(CNC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000535704457 1007743137 /nfs/dbraw/zinc/74/31/37/1007743137.db2.gz IFVGQTIAGAVJHP-UHFFFAOYSA-N 2 1 420.601 3.946 20 0 HHADMP C[C@H](CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)[NH+]1CCC[C@H](C)C1 ZINC000535705512 1007745111 /nfs/dbraw/zinc/74/51/11/1007745111.db2.gz SBQVWTBKWDFHOM-FCHUYYIVSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@H](CNC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000535705512 1007745117 /nfs/dbraw/zinc/74/51/17/1007745117.db2.gz SBQVWTBKWDFHOM-FCHUYYIVSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@H](CNC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000535705512 1007745123 /nfs/dbraw/zinc/74/51/23/1007745123.db2.gz SBQVWTBKWDFHOM-FCHUYYIVSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000517542303 1007758299 /nfs/dbraw/zinc/75/82/99/1007758299.db2.gz OVSCAYMHELSDIT-PXDATVDWSA-N 2 1 420.601 3.828 20 0 HHADMP CCCN(C(=O)NC[C@@H](C)Cn1cc[nH+]c1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000517569192 1007776032 /nfs/dbraw/zinc/77/60/32/1007776032.db2.gz IRVJJDSENJYMEJ-NFBKMPQASA-N 2 1 411.594 3.914 20 0 HHADMP CCCN(C(=O)NC[C@@H](C)Cn1cc[nH+]c1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000517569192 1007776045 /nfs/dbraw/zinc/77/60/45/1007776045.db2.gz IRVJJDSENJYMEJ-NFBKMPQASA-N 2 1 411.594 3.914 20 0 HHADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000539512677 1007823163 /nfs/dbraw/zinc/82/31/63/1007823163.db2.gz VYRAOXQTJUJNAG-UHFFFAOYSA-N 2 1 419.573 3.913 20 0 HHADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)c[nH]1 ZINC000539519173 1007829213 /nfs/dbraw/zinc/82/92/13/1007829213.db2.gz NMVFSEVODVZVAE-APWZRJJASA-N 2 1 409.452 3.993 20 0 HHADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)c[nH]1 ZINC000539519173 1007829216 /nfs/dbraw/zinc/82/92/16/1007829216.db2.gz NMVFSEVODVZVAE-APWZRJJASA-N 2 1 409.452 3.993 20 0 HHADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000517636939 1007846013 /nfs/dbraw/zinc/84/60/13/1007846013.db2.gz CESUFMHTBYIQFI-JBRSBNLGSA-N 2 1 424.633 3.947 20 0 HHADMP O=C(NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000517636939 1007846021 /nfs/dbraw/zinc/84/60/21/1007846021.db2.gz CESUFMHTBYIQFI-JBRSBNLGSA-N 2 1 424.633 3.947 20 0 HHADMP O=C(NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000517636939 1007846028 /nfs/dbraw/zinc/84/60/28/1007846028.db2.gz CESUFMHTBYIQFI-JBRSBNLGSA-N 2 1 424.633 3.947 20 0 HHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C1 ZINC000517642181 1007851838 /nfs/dbraw/zinc/85/18/38/1007851838.db2.gz MYFMURLKOKAAFQ-NJDAHSKKSA-N 2 1 415.622 3.926 20 0 HHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C1 ZINC000517642181 1007851858 /nfs/dbraw/zinc/85/18/58/1007851858.db2.gz MYFMURLKOKAAFQ-NJDAHSKKSA-N 2 1 415.622 3.926 20 0 HHADMP C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000517652583 1007865127 /nfs/dbraw/zinc/86/51/27/1007865127.db2.gz JFFOVTDKADFXNP-CYBMUJFWSA-N 2 1 409.317 3.546 20 0 HHADMP C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4c[nH+]ccc4N4CC[NH+](C)CC4)cc3c2C1 ZINC000517651815 1007865282 /nfs/dbraw/zinc/86/52/82/1007865282.db2.gz BJJAFVPRCCGGNQ-MRXNPFEDSA-N 2 1 403.530 3.692 20 0 HHADMP COc1ccc([C@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)cc1 ZINC000517728034 1007934127 /nfs/dbraw/zinc/93/41/27/1007934127.db2.gz FSCONJUKENJUFU-ZCYQVOJMSA-N 2 1 421.585 3.861 20 0 HHADMP CC(C)c1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c2cnn(C(C)C)c2n1 ZINC000517733434 1007937186 /nfs/dbraw/zinc/93/71/86/1007937186.db2.gz QFUFSCSNLFWTPQ-UHFFFAOYSA-N 2 1 421.549 3.535 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC2([NH+](C)C)CCCCCC2)cc1F ZINC000517803361 1007979793 /nfs/dbraw/zinc/97/97/93/1007979793.db2.gz NVBTUGPLXXVTFO-UHFFFAOYSA-N 2 1 401.530 3.774 20 0 HHADMP CCOCCC[N@H+]1CC[C@H](Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)[C@H](C)C1 ZINC000539690436 1008009767 /nfs/dbraw/zinc/00/97/67/1008009767.db2.gz QEQDGUGQCYXXQU-XBJMDHIQSA-N 2 1 403.611 3.845 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)C1 ZINC000517912314 1008053367 /nfs/dbraw/zinc/05/33/67/1008053367.db2.gz YTXLTSAKVHLNFI-REWPJTCUSA-N 2 1 400.611 3.981 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000517912314 1008053375 /nfs/dbraw/zinc/05/33/75/1008053375.db2.gz YTXLTSAKVHLNFI-REWPJTCUSA-N 2 1 400.611 3.981 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000517912314 1008053384 /nfs/dbraw/zinc/05/33/84/1008053384.db2.gz YTXLTSAKVHLNFI-REWPJTCUSA-N 2 1 400.611 3.981 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)Cc1ccccc1 ZINC000536015548 1008055810 /nfs/dbraw/zinc/05/58/10/1008055810.db2.gz WKKQHUXVTNVWEY-VWLOTQADSA-N 2 1 422.617 3.713 20 0 HHADMP C[NH+]1CCC([C@H]2CCN(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)CC1 ZINC000533732174 1008058925 /nfs/dbraw/zinc/05/89/25/1008058925.db2.gz OVUNKKAVRBTBAM-KWDCZQRMSA-N 2 1 410.606 3.555 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N(C)[C@H]2CC[NH+](C)C[C@H]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539763625 1008078309 /nfs/dbraw/zinc/07/83/09/1008078309.db2.gz UXADWDYPRSWELG-IDCXYZFESA-N 2 1 424.992 3.985 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N(C)[C@H]2CC[NH+](C)C[C@H]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539763625 1008078314 /nfs/dbraw/zinc/07/83/14/1008078314.db2.gz UXADWDYPRSWELG-IDCXYZFESA-N 2 1 424.992 3.985 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539763625 1008078323 /nfs/dbraw/zinc/07/83/23/1008078323.db2.gz UXADWDYPRSWELG-IDCXYZFESA-N 2 1 424.992 3.985 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539763625 1008078332 /nfs/dbraw/zinc/07/83/32/1008078332.db2.gz UXADWDYPRSWELG-IDCXYZFESA-N 2 1 424.992 3.985 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)[C@H]2CC[NH+](C)C[C@H]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539763621 1008078445 /nfs/dbraw/zinc/07/84/45/1008078445.db2.gz UXADWDYPRSWELG-DVMWJLJYSA-N 2 1 424.992 3.985 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N(C)[C@H]2CC[NH+](C)C[C@H]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539763621 1008078450 /nfs/dbraw/zinc/07/84/50/1008078450.db2.gz UXADWDYPRSWELG-DVMWJLJYSA-N 2 1 424.992 3.985 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539763621 1008078454 /nfs/dbraw/zinc/07/84/54/1008078454.db2.gz UXADWDYPRSWELG-DVMWJLJYSA-N 2 1 424.992 3.985 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539763621 1008078462 /nfs/dbraw/zinc/07/84/62/1008078462.db2.gz UXADWDYPRSWELG-DVMWJLJYSA-N 2 1 424.992 3.985 20 0 HHADMP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000518015918 1008104961 /nfs/dbraw/zinc/10/49/61/1008104961.db2.gz YQJQZAQOPNNGFS-TZIWHRDSSA-N 2 1 404.986 3.793 20 0 HHADMP CSc1ccc(C[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000539835424 1008128612 /nfs/dbraw/zinc/12/86/12/1008128612.db2.gz ILTGPBFRCUNXTR-UHFFFAOYSA-N 2 1 411.615 3.869 20 0 HHADMP COC(=O)CCn1nc(C)c(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1C ZINC000539861397 1008146785 /nfs/dbraw/zinc/14/67/85/1008146785.db2.gz OKNNYTSIGQPFDW-UHFFFAOYSA-N 2 1 424.589 3.551 20 0 HHADMP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045418 1008254793 /nfs/dbraw/zinc/25/47/93/1008254793.db2.gz NNUFIFBMUKVVHQ-IBGZPJMESA-N 2 1 412.553 3.979 20 0 HHADMP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045475 1008254852 /nfs/dbraw/zinc/25/48/52/1008254852.db2.gz PAOPDFVUXPZNSB-VQTJNVASSA-N 2 1 406.574 3.986 20 0 HHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1)CC1CC1 ZINC000540049738 1008258893 /nfs/dbraw/zinc/25/88/93/1008258893.db2.gz SMHQKJFQHJNHON-IBGZPJMESA-N 2 1 403.533 3.621 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000518452490 1008312761 /nfs/dbraw/zinc/31/27/61/1008312761.db2.gz AKECDDLGTHQGDP-OAQYLSRUSA-N 2 1 406.574 3.698 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000518452490 1008312766 /nfs/dbraw/zinc/31/27/66/1008312766.db2.gz AKECDDLGTHQGDP-OAQYLSRUSA-N 2 1 406.574 3.698 20 0 HHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(I)cc1 ZINC000540170656 1008320553 /nfs/dbraw/zinc/32/05/53/1008320553.db2.gz ITAXYVCEYPTCBY-XHSDSOJGSA-N 2 1 416.347 3.831 20 0 HHADMP CC1CC[NH+]([C@H](CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c2cccs2)CC1 ZINC000518520023 1008335549 /nfs/dbraw/zinc/33/55/49/1008335549.db2.gz QDBTWKCVMRRFFE-UYAOXDASSA-N 2 1 404.624 3.837 20 0 HHADMP C[C@H](Cc1ccccc1)n1cccc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000540211049 1008337137 /nfs/dbraw/zinc/33/71/37/1008337137.db2.gz KJBZWQKYMMRVNI-LJQANCHMSA-N 2 1 403.530 3.691 20 0 HHADMP COc1cc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ccc1SC ZINC000540244632 1008350635 /nfs/dbraw/zinc/35/06/35/1008350635.db2.gz CQRVLWQATFCPAB-ROUUACIJSA-N 2 1 408.608 3.507 20 0 HHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCCOc3ccc(Cl)cc3)CC2)C[C@@H](C)O1 ZINC000540245615 1008351110 /nfs/dbraw/zinc/35/11/10/1008351110.db2.gz ZFUGXCIYUYLJEU-RTBURBONSA-N 2 1 410.986 3.699 20 0 HHADMP CC(C)Oc1cccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000540327940 1008381685 /nfs/dbraw/zinc/38/16/85/1008381685.db2.gz YNVFZUHEVAFWLJ-MIZPHKNDSA-N 2 1 409.574 3.904 20 0 HHADMP COc1ccc([C@@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000540333214 1008384444 /nfs/dbraw/zinc/38/44/44/1008384444.db2.gz LNDLWERJWBWKER-VGOFRKELSA-N 2 1 415.965 3.953 20 0 HHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]C3CCN(c4ccccn4)CC3)cc2)C[C@H]1C ZINC000540394832 1008415084 /nfs/dbraw/zinc/41/50/84/1008415084.db2.gz ABPAMISPWSFWQA-SZPZYZBQSA-N 2 1 422.617 3.849 20 0 HHADMP C[NH+]1CCC2(CC1)C[C@H]([NH2+]CC1(N3CCCCC3)CCOCC1)c1ccccc1O2 ZINC000540494734 1008454692 /nfs/dbraw/zinc/45/46/92/1008454692.db2.gz JBWQAZOAOFDYFG-QFIPXVFZSA-N 2 1 413.606 3.599 20 0 HHADMP CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000540514834 1008463465 /nfs/dbraw/zinc/46/34/65/1008463465.db2.gz HLJVPYVFDOIHGO-UHFFFAOYSA-N 2 1 418.541 3.935 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000519014451 1008501709 /nfs/dbraw/zinc/50/17/09/1008501709.db2.gz MTHMXOLQZKQRKS-QFIPXVFZSA-N 2 1 412.553 3.565 20 0 HHADMP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000519018494 1008502676 /nfs/dbraw/zinc/50/26/76/1008502676.db2.gz OYJZFTJFWILCNX-NQIIRXRSSA-N 2 1 414.619 3.877 20 0 HHADMP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000519018494 1008502680 /nfs/dbraw/zinc/50/26/80/1008502680.db2.gz OYJZFTJFWILCNX-NQIIRXRSSA-N 2 1 414.619 3.877 20 0 HHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000519224970 1008630863 /nfs/dbraw/zinc/63/08/63/1008630863.db2.gz GNVMBVAXHSTWMS-GOSISDBHSA-N 2 1 403.567 3.619 20 0 HHADMP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCc2sccc2C1 ZINC000519269685 1008678316 /nfs/dbraw/zinc/67/83/16/1008678316.db2.gz LHCNLHNWLDVRKP-LVCYWYKZSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@H](CNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCc2sccc2C1 ZINC000519269685 1008678325 /nfs/dbraw/zinc/67/83/25/1008678325.db2.gz LHCNLHNWLDVRKP-LVCYWYKZSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1)[N@@H+]1CCc2sccc2C1 ZINC000519269685 1008678335 /nfs/dbraw/zinc/67/83/35/1008678335.db2.gz LHCNLHNWLDVRKP-LVCYWYKZSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1)[N@H+]1CCc2sccc2C1 ZINC000519269685 1008678346 /nfs/dbraw/zinc/67/83/46/1008678346.db2.gz LHCNLHNWLDVRKP-LVCYWYKZSA-N 2 1 412.603 3.629 20 0 HHADMP COc1ccc(C[C@@H](C)C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1F ZINC000545593073 1008693213 /nfs/dbraw/zinc/69/32/13/1008693213.db2.gz GYINRRGNTSAKEX-GCJKJVERSA-N 2 1 400.538 3.759 20 0 HHADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000519293793 1008704976 /nfs/dbraw/zinc/70/49/76/1008704976.db2.gz QFYJXHKPWSOAID-IBGZPJMESA-N 2 1 407.002 3.583 20 0 HHADMP CCOC(=O)c1ccccc1NC(=O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549164004 1008735973 /nfs/dbraw/zinc/73/59/73/1008735973.db2.gz CEHJFLYZCHAWSF-JOCHJYFZSA-N 2 1 423.557 3.692 20 0 HHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000549165709 1008737950 /nfs/dbraw/zinc/73/79/50/1008737950.db2.gz NDEZSROHKNLTCS-UGKGYDQZSA-N 2 1 402.966 3.970 20 0 HHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000549165709 1008737962 /nfs/dbraw/zinc/73/79/62/1008737962.db2.gz NDEZSROHKNLTCS-UGKGYDQZSA-N 2 1 402.966 3.970 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)c2cc1C ZINC000549168045 1008741574 /nfs/dbraw/zinc/74/15/74/1008741574.db2.gz ZGJZBMMFJCSMLP-RCZVLFRGSA-N 2 1 420.601 3.904 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)c2cc1C ZINC000549168045 1008741584 /nfs/dbraw/zinc/74/15/84/1008741584.db2.gz ZGJZBMMFJCSMLP-RCZVLFRGSA-N 2 1 420.601 3.904 20 0 HHADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000519362096 1008760294 /nfs/dbraw/zinc/76/02/94/1008760294.db2.gz PNPGOACTNVJJEC-QHCPKHFHSA-N 2 1 409.549 3.950 20 0 HHADMP CC[N@@H+](Cc1ccc(-c2nc(-c3ccnc(OCC[NH+](C)C)c3)no2)cc1)C1CC1 ZINC000545785429 1008872929 /nfs/dbraw/zinc/87/29/29/1008872929.db2.gz NBNPIISVNZTDLU-UHFFFAOYSA-N 2 1 407.518 3.723 20 0 HHADMP Fc1ccc([C@H](NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)nc1 ZINC000543402285 1008994378 /nfs/dbraw/zinc/99/43/78/1008994378.db2.gz FVTOFIUSCGOBJY-XMMPIXPASA-N 2 1 405.521 3.507 20 0 HHADMP C[C@H]([NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543460036 1009046020 /nfs/dbraw/zinc/04/60/20/1009046020.db2.gz GHVSZNLYWPTAIO-HDMKZQKVSA-N 2 1 401.378 3.976 20 0 HHADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3csc(-c4ccc(F)cc4)n3)CC2)CC1 ZINC000543521351 1009113173 /nfs/dbraw/zinc/11/31/73/1009113173.db2.gz LAHJQPZFNOJGRL-UHFFFAOYSA-N 2 1 402.583 3.799 20 0 HHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cccc(-n4cccn4)c3)CC2)c1C ZINC000546102238 1009125425 /nfs/dbraw/zinc/12/54/25/1009125425.db2.gz NRECZJLENVBSEC-UHFFFAOYSA-N 2 1 419.573 3.989 20 0 HHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cccc(-n4cccn4)c3)CC2)c1C ZINC000546102238 1009125434 /nfs/dbraw/zinc/12/54/34/1009125434.db2.gz NRECZJLENVBSEC-UHFFFAOYSA-N 2 1 419.573 3.989 20 0 HHADMP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000546228937 1009254068 /nfs/dbraw/zinc/25/40/68/1009254068.db2.gz ZJGXOVFXCDOARA-SFHVURJKSA-N 2 1 419.591 3.531 20 0 HHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCc3c2c(Br)ccc3F)C1 ZINC000543775792 1009344841 /nfs/dbraw/zinc/34/48/41/1009344841.db2.gz UQUWQCOJDRTOCN-UZLBHIALSA-N 2 1 419.338 3.932 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)[NH+]2CCCC2)cc1 ZINC000520299837 1009425290 /nfs/dbraw/zinc/42/52/90/1009425290.db2.gz WUAPGXQDCGXHQA-QHCPKHFHSA-N 2 1 400.611 3.894 20 0 HHADMP CC(C)N1C(=O)C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000544014783 1009615994 /nfs/dbraw/zinc/61/59/94/1009615994.db2.gz NOULMCWEWUFWQN-IFMALSPDSA-N 2 1 407.961 3.994 20 0 HHADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)CC3 ZINC000546606388 1009625963 /nfs/dbraw/zinc/62/59/63/1009625963.db2.gz ZBXSGUMAQPDAMH-SFHVURJKSA-N 2 1 405.546 3.699 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000546619495 1009631980 /nfs/dbraw/zinc/63/19/80/1009631980.db2.gz WVGMEXNPRCAGIO-KSZLIROESA-N 2 1 407.986 3.561 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000546660817 1009660315 /nfs/dbraw/zinc/66/03/15/1009660315.db2.gz OWPHEPNGFFKARH-SBHAEUEKSA-N 2 1 405.542 3.704 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000546660817 1009660322 /nfs/dbraw/zinc/66/03/22/1009660322.db2.gz OWPHEPNGFFKARH-SBHAEUEKSA-N 2 1 405.542 3.704 20 0 HHADMP Cc1cc(Cl)cc(C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)c1 ZINC000550097994 1009700445 /nfs/dbraw/zinc/70/04/45/1009700445.db2.gz UMXPKWHQVLLYQR-UHFFFAOYSA-N 2 1 401.938 3.599 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3ccccc3N3CCO[C@@H](C)C3)cc2)C[C@H](C)O1 ZINC000550354029 1009881406 /nfs/dbraw/zinc/88/14/06/1009881406.db2.gz UNPQTDLFMDRRDG-FDFHNCONSA-N 2 1 423.601 3.811 20 0 HHADMP C[C@H](CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000544332674 1009956147 /nfs/dbraw/zinc/95/61/47/1009956147.db2.gz VOZDRYUSBPYBRT-GMKZXUHWSA-N 2 1 412.622 3.947 20 0 HHADMP Cc1cc([C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2cccnc2)ccc1F ZINC000544386025 1010008795 /nfs/dbraw/zinc/00/87/95/1010008795.db2.gz LVUBEBRSKORUPY-ZCYQVOJMSA-N 2 1 405.517 3.975 20 0 HHADMP Cc1cc([C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c2cccnc2)ccc1F ZINC000544386025 1010008807 /nfs/dbraw/zinc/00/88/07/1010008807.db2.gz LVUBEBRSKORUPY-ZCYQVOJMSA-N 2 1 405.517 3.975 20 0 HHADMP COc1cc(OC)c(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000544419382 1010035723 /nfs/dbraw/zinc/03/57/23/1010035723.db2.gz DLUWJJZVXFYAPD-CABCVRRESA-N 2 1 409.958 3.538 20 0 HHADMP COc1cc(OC)c(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000544419382 1010035737 /nfs/dbraw/zinc/03/57/37/1010035737.db2.gz DLUWJJZVXFYAPD-CABCVRRESA-N 2 1 409.958 3.538 20 0 HHADMP CCOc1ccccc1[C@H](CC)NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544421718 1010041756 /nfs/dbraw/zinc/04/17/56/1010041756.db2.gz OXNNIRRWOYYLHX-JQVVWYNYSA-N 2 1 401.595 3.895 20 0 HHADMP CCOc1ccccc1[C@H](CC)NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544421718 1010041771 /nfs/dbraw/zinc/04/17/71/1010041771.db2.gz OXNNIRRWOYYLHX-JQVVWYNYSA-N 2 1 401.595 3.895 20 0 HHADMP Cc1cc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n(-c2ccc(C)cc2)n1 ZINC000544425234 1010048331 /nfs/dbraw/zinc/04/83/31/1010048331.db2.gz VAMOPRVCJHEAIF-PMACEKPBSA-N 2 1 409.578 3.670 20 0 HHADMP Cc1cc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n(-c2ccc(C)cc2)n1 ZINC000544425234 1010048345 /nfs/dbraw/zinc/04/83/45/1010048345.db2.gz VAMOPRVCJHEAIF-PMACEKPBSA-N 2 1 409.578 3.670 20 0 HHADMP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000550622099 1010070299 /nfs/dbraw/zinc/07/02/99/1010070299.db2.gz JCWXSNIZKCPIOY-GMAHTHKFSA-N 2 1 415.603 3.641 20 0 HHADMP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000550622099 1010070313 /nfs/dbraw/zinc/07/03/13/1010070313.db2.gz JCWXSNIZKCPIOY-GMAHTHKFSA-N 2 1 415.603 3.641 20 0 HHADMP CCOc1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)ccc1OCc1c(F)cccc1Cl ZINC000547268707 1010215339 /nfs/dbraw/zinc/21/53/39/1010215339.db2.gz PDMMHHBPLKNWIT-JOCHJYFZSA-N 2 1 422.928 3.613 20 0 HHADMP CCOc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)ccc1OCc1c(F)cccc1Cl ZINC000547268707 1010215346 /nfs/dbraw/zinc/21/53/46/1010215346.db2.gz PDMMHHBPLKNWIT-JOCHJYFZSA-N 2 1 422.928 3.613 20 0 HHADMP CCOC(=O)C1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000550881851 1010238909 /nfs/dbraw/zinc/23/89/09/1010238909.db2.gz DVAGPJDJKCQXBU-KOENEWCDSA-N 2 1 414.590 3.627 20 0 HHADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000521359090 1010331524 /nfs/dbraw/zinc/33/15/24/1010331524.db2.gz SGPPSSBWQMSEFF-LJQANCHMSA-N 2 1 409.599 3.929 20 0 HHADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000521359090 1010331536 /nfs/dbraw/zinc/33/15/36/1010331536.db2.gz SGPPSSBWQMSEFF-LJQANCHMSA-N 2 1 409.599 3.929 20 0 HHADMP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)C2)c1 ZINC000551063832 1010343401 /nfs/dbraw/zinc/34/34/01/1010343401.db2.gz DQGOZXGTRBWBFP-DZRGJMJISA-N 2 1 409.574 3.955 20 0 HHADMP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)C2)c1 ZINC000551063832 1010343408 /nfs/dbraw/zinc/34/34/08/1010343408.db2.gz DQGOZXGTRBWBFP-DZRGJMJISA-N 2 1 409.574 3.955 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000544818818 1010411363 /nfs/dbraw/zinc/41/13/63/1010411363.db2.gz YBJCKCRTADDWOO-JOCHJYFZSA-N 2 1 400.611 3.662 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccccc1 ZINC000547786422 1010426899 /nfs/dbraw/zinc/42/68/99/1010426899.db2.gz CADAALHLOUTISQ-TZIWHRDSSA-N 2 1 422.598 3.895 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccccc1 ZINC000547786422 1010426903 /nfs/dbraw/zinc/42/69/03/1010426903.db2.gz CADAALHLOUTISQ-TZIWHRDSSA-N 2 1 422.598 3.895 20 0 HHADMP CCCOc1cc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ccc1OC ZINC000521514348 1010428920 /nfs/dbraw/zinc/42/89/20/1010428920.db2.gz UMBBBRSQZPHJGS-WOJBJXKFSA-N 2 1 420.594 3.574 20 0 HHADMP C[C@H]([NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547826502 1010440061 /nfs/dbraw/zinc/44/00/61/1010440061.db2.gz PFDDECHHUFKVDB-GVXSCFBNSA-N 2 1 405.586 3.720 20 0 HHADMP C[C@@H]([NH2+]C1CCC(C(=O)N2CCSCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547827423 1010441195 /nfs/dbraw/zinc/44/11/95/1010441195.db2.gz PNYDWLULYYUMEQ-DNJQPREOSA-N 2 1 415.647 3.621 20 0 HHADMP C[C@H]([NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547827841 1010441215 /nfs/dbraw/zinc/44/12/15/1010441215.db2.gz IKFIANIAKSHWSE-CUWPLCDZSA-N 2 1 422.491 3.945 20 0 HHADMP O=C1CC[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c2ccccc2N1 ZINC000551264823 1010481125 /nfs/dbraw/zinc/48/11/25/1010481125.db2.gz OGUGNBLALAWFON-FYYLOGMGSA-N 2 1 419.569 3.978 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000521584497 1010481162 /nfs/dbraw/zinc/48/11/62/1010481162.db2.gz NZIWWLOLSQRAGY-WNOPAQSVSA-N 2 1 409.549 3.989 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000521584497 1010481166 /nfs/dbraw/zinc/48/11/66/1010481166.db2.gz NZIWWLOLSQRAGY-WNOPAQSVSA-N 2 1 409.549 3.989 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000521584497 1010481170 /nfs/dbraw/zinc/48/11/70/1010481170.db2.gz NZIWWLOLSQRAGY-WNOPAQSVSA-N 2 1 409.549 3.989 20 0 HHADMP COc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000521588686 1010484659 /nfs/dbraw/zinc/48/46/59/1010484659.db2.gz HFTNMMJXCQNQJD-XMMPIXPASA-N 2 1 421.585 3.875 20 0 HHADMP COc1ccccc1[C@H]1CCC[N@H+]1CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000521588686 1010484665 /nfs/dbraw/zinc/48/46/65/1010484665.db2.gz HFTNMMJXCQNQJD-XMMPIXPASA-N 2 1 421.585 3.875 20 0 HHADMP COc1ccccc1[C@H]1CCC[NH+]1CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000521588686 1010484670 /nfs/dbraw/zinc/48/46/70/1010484670.db2.gz HFTNMMJXCQNQJD-XMMPIXPASA-N 2 1 421.585 3.875 20 0 HHADMP COc1ccccc1[C@H]1CCC[NH+]1CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000521588686 1010484677 /nfs/dbraw/zinc/48/46/77/1010484677.db2.gz HFTNMMJXCQNQJD-XMMPIXPASA-N 2 1 421.585 3.875 20 0 HHADMP COc1cc(CN2CC[C@H]([NH2+][C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)cc(OC)c1 ZINC000548154456 1010547016 /nfs/dbraw/zinc/54/70/16/1010547016.db2.gz FNBPUSWBAMQLKY-OYDLWJJNSA-N 2 1 423.601 3.778 20 0 HHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000548155512 1010547930 /nfs/dbraw/zinc/54/79/30/1010547930.db2.gz XHBFWGWEKMYYMM-SXWKCWPCSA-N 2 1 421.585 3.905 20 0 HHADMP O=C(N1CC[C@@H]([NH+]2CCCCC2)C1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000521690361 1010553790 /nfs/dbraw/zinc/55/37/90/1010553790.db2.gz NIVGVCRJKYOVBJ-CTNGQTDRSA-N 2 1 409.496 3.528 20 0 HHADMP O=C(N1CC[C@H]([NH+]2CCCCC2)C1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000521690379 1010553935 /nfs/dbraw/zinc/55/39/35/1010553935.db2.gz NIVGVCRJKYOVBJ-PZJWPPBQSA-N 2 1 409.496 3.528 20 0 HHADMP COc1cc(Cl)cc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000551470832 1010607033 /nfs/dbraw/zinc/60/70/33/1010607033.db2.gz WVDTWLNYZBFJHU-UHFFFAOYSA-N 2 1 407.986 3.617 20 0 HHADMP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483054 1010641921 /nfs/dbraw/zinc/64/19/21/1010641921.db2.gz QWSHSUZUJOENSG-IRLDBZIGSA-N 2 1 407.606 3.935 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc(-n2ccnn2)c1 ZINC000521848922 1010658022 /nfs/dbraw/zinc/65/80/22/1010658022.db2.gz BAYUBJBPBUHAIA-HSALFYBXSA-N 2 1 405.546 3.727 20 0 HHADMP C[C@H]([NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548773959 1010727505 /nfs/dbraw/zinc/72/75/05/1010727505.db2.gz CHJOINPLCKEZMH-OKJKUSBXSA-N 2 1 408.586 3.942 20 0 HHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000548903666 1010756210 /nfs/dbraw/zinc/75/62/10/1010756210.db2.gz PKBXSDVWMFPNAK-YKSBVNFPSA-N 2 1 409.574 3.548 20 0 HHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000548903666 1010756218 /nfs/dbraw/zinc/75/62/18/1010756218.db2.gz PKBXSDVWMFPNAK-YKSBVNFPSA-N 2 1 409.574 3.548 20 0 HHADMP COc1ccc(C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C2CC2)cc1 ZINC000522096848 1010809690 /nfs/dbraw/zinc/80/96/90/1010809690.db2.gz YWZWUPBCBFPTIK-UHFFFAOYSA-N 2 1 407.558 3.572 20 0 HHADMP COc1ccc(C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C2CC2)cc1 ZINC000522096848 1010809698 /nfs/dbraw/zinc/80/96/98/1010809698.db2.gz YWZWUPBCBFPTIK-UHFFFAOYSA-N 2 1 407.558 3.572 20 0 HHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000522256798 1010891888 /nfs/dbraw/zinc/89/18/88/1010891888.db2.gz NLMAZJPXYKHAAL-RUZDIDTESA-N 2 1 418.541 3.630 20 0 HHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000522256798 1010891897 /nfs/dbraw/zinc/89/18/97/1010891897.db2.gz NLMAZJPXYKHAAL-RUZDIDTESA-N 2 1 418.541 3.630 20 0 HHADMP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000522293649 1010911322 /nfs/dbraw/zinc/91/13/22/1010911322.db2.gz HVZWAAQCYPTIOJ-QFIPXVFZSA-N 2 1 412.553 3.564 20 0 HHADMP CC[C@H](CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[N@H+]1CCc2ccccc2C1 ZINC000522396113 1010979295 /nfs/dbraw/zinc/97/92/95/1010979295.db2.gz OMNNWNHWQSECKT-JOCHJYFZSA-N 2 1 412.553 3.523 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000536155713 1011280442 /nfs/dbraw/zinc/28/04/42/1011280442.db2.gz OLEODYAIDUJFMG-JFTIXFDTSA-N 2 1 406.574 3.784 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000536155713 1011280456 /nfs/dbraw/zinc/28/04/56/1011280456.db2.gz OLEODYAIDUJFMG-JFTIXFDTSA-N 2 1 406.574 3.784 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000536155713 1011280470 /nfs/dbraw/zinc/28/04/70/1011280470.db2.gz OLEODYAIDUJFMG-JFTIXFDTSA-N 2 1 406.574 3.784 20 0 HHADMP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)CC[C@@H]21 ZINC000540667348 1011321650 /nfs/dbraw/zinc/32/16/50/1011321650.db2.gz DBYLCSYPMLTFSU-YZGWKJHDSA-N 2 1 409.496 3.613 20 0 HHADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)CC[C@@H]21 ZINC000540667348 1011321660 /nfs/dbraw/zinc/32/16/60/1011321660.db2.gz DBYLCSYPMLTFSU-YZGWKJHDSA-N 2 1 409.496 3.613 20 0 HHADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)CC[C@@H]21 ZINC000540667348 1011321670 /nfs/dbraw/zinc/32/16/70/1011321670.db2.gz DBYLCSYPMLTFSU-YZGWKJHDSA-N 2 1 409.496 3.613 20 0 HHADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)CC[C@@H]21 ZINC000540667348 1011321682 /nfs/dbraw/zinc/32/16/82/1011321682.db2.gz DBYLCSYPMLTFSU-YZGWKJHDSA-N 2 1 409.496 3.613 20 0 HHADMP C[NH+](C)[C@H](C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000522917354 1011363924 /nfs/dbraw/zinc/36/39/24/1011363924.db2.gz LLJFBISKZDNTQU-QFIPXVFZSA-N 2 1 415.965 3.602 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1)C1CCOCC1 ZINC000536308130 1011501535 /nfs/dbraw/zinc/50/15/35/1011501535.db2.gz ZRQBOJWSWARVHL-SMIHKQSGSA-N 2 1 414.590 3.614 20 0 HHADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000540862652 1011532982 /nfs/dbraw/zinc/53/29/82/1011532982.db2.gz GIIGYMFYDZMULX-ZLGUVYLKSA-N 2 1 424.992 3.986 20 0 HHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000540862652 1011532994 /nfs/dbraw/zinc/53/29/94/1011532994.db2.gz GIIGYMFYDZMULX-ZLGUVYLKSA-N 2 1 424.992 3.986 20 0 HHADMP CC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000540862652 1011533007 /nfs/dbraw/zinc/53/30/07/1011533007.db2.gz GIIGYMFYDZMULX-ZLGUVYLKSA-N 2 1 424.992 3.986 20 0 HHADMP CC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000540862652 1011533021 /nfs/dbraw/zinc/53/30/21/1011533021.db2.gz GIIGYMFYDZMULX-ZLGUVYLKSA-N 2 1 424.992 3.986 20 0 HHADMP C[C@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000523101530 1011571452 /nfs/dbraw/zinc/57/14/52/1011571452.db2.gz NDOITTFMHWXMDP-OAHLLOKOSA-N 2 1 406.452 3.985 20 0 HHADMP CCCO[C@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000536378694 1011586699 /nfs/dbraw/zinc/58/66/99/1011586699.db2.gz QDGUEFOSKINXET-SIKLNZKXSA-N 2 1 422.013 3.874 20 0 HHADMP CCCO[C@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000536378694 1011586704 /nfs/dbraw/zinc/58/67/04/1011586704.db2.gz QDGUEFOSKINXET-SIKLNZKXSA-N 2 1 422.013 3.874 20 0 HHADMP CCCO[C@@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000536378693 1011587016 /nfs/dbraw/zinc/58/70/16/1011587016.db2.gz QDGUEFOSKINXET-KNQAVFIVSA-N 2 1 422.013 3.874 20 0 HHADMP CCCO[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000536378693 1011587027 /nfs/dbraw/zinc/58/70/27/1011587027.db2.gz QDGUEFOSKINXET-KNQAVFIVSA-N 2 1 422.013 3.874 20 0 HHADMP CN(CCC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)c1cc[nH+]cc1 ZINC000540926682 1011590136 /nfs/dbraw/zinc/59/01/36/1011590136.db2.gz WHBOBBDNWQNCCD-UHFFFAOYSA-N 2 1 420.479 3.708 20 0 HHADMP COc1cc(Br)ccc1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000540979790 1011613325 /nfs/dbraw/zinc/61/33/25/1011613325.db2.gz MTEZLKQAOQUNRF-QGZVFWFLSA-N 2 1 424.408 3.598 20 0 HHADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536494036 1011702594 /nfs/dbraw/zinc/70/25/94/1011702594.db2.gz VNBNORYOLQTBJO-MBOZVWFJSA-N 2 1 410.965 3.598 20 0 HHADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000536584185 1011747003 /nfs/dbraw/zinc/74/70/03/1011747003.db2.gz MJZSYOZXRMGVEQ-QHCPKHFHSA-N 2 1 407.562 3.516 20 0 HHADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000536584185 1011747016 /nfs/dbraw/zinc/74/70/16/1011747016.db2.gz MJZSYOZXRMGVEQ-QHCPKHFHSA-N 2 1 407.562 3.516 20 0 HHADMP Cn1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000536661485 1011810812 /nfs/dbraw/zinc/81/08/12/1011810812.db2.gz ULHNMISJHGQTLW-OAQYLSRUSA-N 2 1 410.562 3.699 20 0 HHADMP Cn1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000536661485 1011810818 /nfs/dbraw/zinc/81/08/18/1011810818.db2.gz ULHNMISJHGQTLW-OAQYLSRUSA-N 2 1 410.562 3.699 20 0 HHADMP C[N@H+](CCNC(=O)C1CC[NH+](Cc2cc(Cl)ccc2F)CC1)Cc1ccccc1 ZINC000536678783 1011842272 /nfs/dbraw/zinc/84/22/72/1011842272.db2.gz KWDJACWZPHZXLI-UHFFFAOYSA-N 2 1 417.956 3.939 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2cc(Cl)ccc2F)CC1)Cc1ccccc1 ZINC000536678783 1011842288 /nfs/dbraw/zinc/84/22/88/1011842288.db2.gz KWDJACWZPHZXLI-UHFFFAOYSA-N 2 1 417.956 3.939 20 0 HHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000536707901 1011878818 /nfs/dbraw/zinc/87/88/18/1011878818.db2.gz PFBKPHBGUKQECJ-UHFFFAOYSA-N 2 1 409.622 3.986 20 0 HHADMP CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536708129 1011879456 /nfs/dbraw/zinc/87/94/56/1011879456.db2.gz OVOATJRZVGKSKM-UHFFFAOYSA-N 2 1 414.516 3.667 20 0 HHADMP C[C@H]1CCc2ccccc2N1C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536729003 1011901039 /nfs/dbraw/zinc/90/10/39/1011901039.db2.gz BNFHSSPORTYYHD-FQEVSTJZSA-N 2 1 406.574 3.988 20 0 HHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000541261751 1011948364 /nfs/dbraw/zinc/94/83/64/1011948364.db2.gz MMPSTZUPSRVYPL-UHFFFAOYSA-N 2 1 421.585 3.503 20 0 HHADMP CC1CC[NH+](CCCNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000523470795 1011979387 /nfs/dbraw/zinc/97/93/87/1011979387.db2.gz OVXXHIIJUDHDGT-GGAORHGYSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NCC[NH+](C)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000523472957 1011982774 /nfs/dbraw/zinc/98/27/74/1011982774.db2.gz HWCHDBTWTKYHHI-ZJSXRUAMSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NCC[N@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000523472957 1011982785 /nfs/dbraw/zinc/98/27/85/1011982785.db2.gz HWCHDBTWTKYHHI-ZJSXRUAMSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)NCC[N@@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000523472957 1011982799 /nfs/dbraw/zinc/98/27/99/1011982799.db2.gz HWCHDBTWTKYHHI-ZJSXRUAMSA-N 2 1 408.590 3.813 20 0 HHADMP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000552032743 1012057787 /nfs/dbraw/zinc/05/77/87/1012057787.db2.gz MOTBJKKJDGWRNU-KKUQBAQOSA-N 3 1 412.666 3.685 20 0 HHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000552032743 1012057795 /nfs/dbraw/zinc/05/77/95/1012057795.db2.gz MOTBJKKJDGWRNU-KKUQBAQOSA-N 3 1 412.666 3.685 20 0 HHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000552032743 1012057810 /nfs/dbraw/zinc/05/78/10/1012057810.db2.gz MOTBJKKJDGWRNU-KKUQBAQOSA-N 3 1 412.666 3.685 20 0 HHADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000536828895 1012058333 /nfs/dbraw/zinc/05/83/33/1012058333.db2.gz SOAZDKYLLOCDQP-DYXWJJEUSA-N 2 1 415.603 3.546 20 0 HHADMP CS(=O)(=O)C1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000552062343 1012080757 /nfs/dbraw/zinc/08/07/57/1012080757.db2.gz VCXBAGKTBJZJEB-DSKNIHGZSA-N 2 1 404.620 3.623 20 0 HHADMP CS(=O)(=O)C1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000552062343 1012080775 /nfs/dbraw/zinc/08/07/75/1012080775.db2.gz VCXBAGKTBJZJEB-DSKNIHGZSA-N 2 1 404.620 3.623 20 0 HHADMP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1nc2c(s1)CCCC2 ZINC000536857405 1012091526 /nfs/dbraw/zinc/09/15/26/1012091526.db2.gz LBRYAPNSJLPPMJ-KRWDZBQOSA-N 2 1 412.603 3.698 20 0 HHADMP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000552075426 1012092527 /nfs/dbraw/zinc/09/25/27/1012092527.db2.gz WUKCMHMBPUHRRQ-VXNCWWDNSA-N 2 1 415.607 3.564 20 0 HHADMP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000552075426 1012092542 /nfs/dbraw/zinc/09/25/42/1012092542.db2.gz WUKCMHMBPUHRRQ-VXNCWWDNSA-N 2 1 415.607 3.564 20 0 HHADMP C[NH+](C)CCCCC(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000552113795 1012131429 /nfs/dbraw/zinc/13/14/29/1012131429.db2.gz KMCNQESZJYMUKC-UHFFFAOYSA-N 2 1 403.567 3.930 20 0 HHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCOc3cccc4ccccc43)CC2)C[C@H](C)O1 ZINC000536933544 1012222734 /nfs/dbraw/zinc/22/27/34/1012222734.db2.gz DJQOAANGWIZLCN-OYRHEFFESA-N 2 1 412.574 3.809 20 0 HHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCOc3cccc4ccccc43)CC2)C[C@H](C)O1 ZINC000536933544 1012222757 /nfs/dbraw/zinc/22/27/57/1012222757.db2.gz DJQOAANGWIZLCN-OYRHEFFESA-N 2 1 412.574 3.809 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000536951188 1012250984 /nfs/dbraw/zinc/25/09/84/1012250984.db2.gz NXRSQNIHTSVDJY-GUDVDZBRSA-N 2 1 415.603 3.663 20 0 HHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc4c(c3)OCC(=O)N4)CC2)cs1 ZINC000552250256 1012260801 /nfs/dbraw/zinc/26/08/01/1012260801.db2.gz ZYZRSLTYWQWBRZ-HNNXBMFYSA-N 2 1 414.575 3.599 20 0 HHADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000541542121 1012327286 /nfs/dbraw/zinc/32/72/86/1012327286.db2.gz PJZZRIAYBNWULU-ZWKOTPCHSA-N 2 1 402.560 3.863 20 0 HHADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000541542121 1012327302 /nfs/dbraw/zinc/32/73/02/1012327302.db2.gz PJZZRIAYBNWULU-ZWKOTPCHSA-N 2 1 402.560 3.863 20 0 HHADMP CC1CCC([NH+]2CCN(C(=O)c3ccc(C[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)CC2)CC1 ZINC000523720571 1012331675 /nfs/dbraw/zinc/33/16/75/1012331675.db2.gz MMYRGHZUFZCMLH-YQORSWRPSA-N 2 1 413.606 3.632 20 0 HHADMP C[C@H]([NH2+]CC(=O)NCCc1cccc(Cl)c1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599855 1012394216 /nfs/dbraw/zinc/39/42/16/1012394216.db2.gz OADIQBFLHGYNIZ-RDJZCZTQSA-N 2 1 412.405 3.895 20 0 HHADMP C[C@H]([NH2+]CC(=O)NCCc1cccc(Cl)c1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599855 1012394229 /nfs/dbraw/zinc/39/42/29/1012394229.db2.gz OADIQBFLHGYNIZ-RDJZCZTQSA-N 2 1 412.405 3.895 20 0 HHADMP C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541600070 1012395258 /nfs/dbraw/zinc/39/52/58/1012395258.db2.gz XGFZXSSLXXZBGC-SOLBZPMBSA-N 2 1 422.411 3.869 20 0 HHADMP C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541600070 1012395271 /nfs/dbraw/zinc/39/52/71/1012395271.db2.gz XGFZXSSLXXZBGC-SOLBZPMBSA-N 2 1 422.411 3.869 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1F ZINC000552404952 1012419012 /nfs/dbraw/zinc/41/90/12/1012419012.db2.gz SBWHTBCUKAJLIV-FQEVSTJZSA-N 2 1 419.491 3.661 20 0 HHADMP CC[C@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1F ZINC000537113341 1012487827 /nfs/dbraw/zinc/48/78/27/1012487827.db2.gz KMKDSBRUCILWBY-QFIPXVFZSA-N 2 1 401.501 3.918 20 0 HHADMP CN(c1ccccc1C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)C1CC[NH+](C)CC1 ZINC000552522744 1012541842 /nfs/dbraw/zinc/54/18/42/1012541842.db2.gz CTKYBQMLXTVIFI-FQEVSTJZSA-N 2 1 408.594 3.592 20 0 HHADMP CN(c1ccccc1C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1)C1CC[NH+](C)CC1 ZINC000552522744 1012541856 /nfs/dbraw/zinc/54/18/56/1012541856.db2.gz CTKYBQMLXTVIFI-FQEVSTJZSA-N 2 1 408.594 3.592 20 0 HHADMP CN(c1ccccc1C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1)C1CC[NH+](C)CC1 ZINC000552522744 1012541862 /nfs/dbraw/zinc/54/18/62/1012541862.db2.gz CTKYBQMLXTVIFI-FQEVSTJZSA-N 2 1 408.594 3.592 20 0 HHADMP COc1ccc(OC)c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000537159270 1012556996 /nfs/dbraw/zinc/55/69/96/1012556996.db2.gz KOXXNTSNIDFJQJ-JKSUJKDBSA-N 2 1 408.502 3.876 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NCCOc2ccc(Cl)cc2)cc1 ZINC000537160418 1012558626 /nfs/dbraw/zinc/55/86/26/1012558626.db2.gz QDQZHOKMTSVVEN-MRXNPFEDSA-N 2 1 412.921 3.680 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000523904464 1012617847 /nfs/dbraw/zinc/61/78/47/1012617847.db2.gz VSQLBDAVTQBDLF-DVJXIFHOSA-N 2 1 406.574 3.957 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000523904464 1012617858 /nfs/dbraw/zinc/61/78/58/1012617858.db2.gz VSQLBDAVTQBDLF-DVJXIFHOSA-N 2 1 406.574 3.957 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000523904464 1012617867 /nfs/dbraw/zinc/61/78/67/1012617867.db2.gz VSQLBDAVTQBDLF-DVJXIFHOSA-N 2 1 406.574 3.957 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000523905350 1012619660 /nfs/dbraw/zinc/61/96/60/1012619660.db2.gz OOTKABPDPUYZPW-KIFXHHALSA-N 2 1 415.626 3.588 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCC[C@H]1CO ZINC000541917956 1012776306 /nfs/dbraw/zinc/77/63/06/1012776306.db2.gz IWYPUPGLARFMNX-QGUKFAFCSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000541917956 1012776322 /nfs/dbraw/zinc/77/63/22/1012776322.db2.gz IWYPUPGLARFMNX-QGUKFAFCSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000541917956 1012776328 /nfs/dbraw/zinc/77/63/28/1012776328.db2.gz IWYPUPGLARFMNX-QGUKFAFCSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000541917956 1012776339 /nfs/dbraw/zinc/77/63/39/1012776339.db2.gz IWYPUPGLARFMNX-QGUKFAFCSA-N 2 1 407.602 3.644 20 0 HHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000541917956 1012776355 /nfs/dbraw/zinc/77/63/55/1012776355.db2.gz IWYPUPGLARFMNX-QGUKFAFCSA-N 2 1 407.602 3.644 20 0 HHADMP COc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1OC ZINC000541955529 1012818518 /nfs/dbraw/zinc/81/85/18/1012818518.db2.gz NUEYBXWSAWMJPZ-QGZVFWFLSA-N 2 1 422.529 3.507 20 0 HHADMP CCCOc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000541956597 1012819989 /nfs/dbraw/zinc/81/99/89/1012819989.db2.gz RELGYVNQHJHDEV-SFHVURJKSA-N 2 1 406.530 3.937 20 0 HHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000552900006 1012900735 /nfs/dbraw/zinc/90/07/35/1012900735.db2.gz YBKVRDISSNJHFG-HSALFYBXSA-N 2 1 422.635 3.943 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)c2cc1C ZINC000552912987 1012913436 /nfs/dbraw/zinc/91/34/36/1012913436.db2.gz ICUFVWDAQZXQRY-ACIOBRDBSA-N 2 1 406.574 3.657 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)c2cc1C ZINC000552912987 1012913449 /nfs/dbraw/zinc/91/34/49/1012913449.db2.gz ICUFVWDAQZXQRY-ACIOBRDBSA-N 2 1 406.574 3.657 20 0 HHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCC[NH+](C2CCCC2)CC1 ZINC000524134854 1012920373 /nfs/dbraw/zinc/92/03/73/1012920373.db2.gz YVOAJYTXNDYSQB-LJQANCHMSA-N 2 1 404.624 3.620 20 0 HHADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000524134854 1012920378 /nfs/dbraw/zinc/92/03/78/1012920378.db2.gz YVOAJYTXNDYSQB-LJQANCHMSA-N 2 1 404.624 3.620 20 0 HHADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000524134854 1012920394 /nfs/dbraw/zinc/92/03/94/1012920394.db2.gz YVOAJYTXNDYSQB-LJQANCHMSA-N 2 1 404.624 3.620 20 0 HHADMP COc1ccccc1CNC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000524155912 1012946871 /nfs/dbraw/zinc/94/68/71/1012946871.db2.gz QCAQRYRDTVRKKB-FQEVSTJZSA-N 2 1 409.574 3.544 20 0 HHADMP F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(CNC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000729684176 1071803483 /nfs/dbraw/zinc/80/34/83/1071803483.db2.gz KPQXUMWEDUQQEA-CWRNSKLLSA-N 2 1 412.374 3.511 20 0 HHADMP F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(C[NH2+]C[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000729684176 1071803502 /nfs/dbraw/zinc/80/35/02/1071803502.db2.gz KPQXUMWEDUQQEA-CWRNSKLLSA-N 2 1 412.374 3.511 20 0 HHADMP COc1ccc2c(c1)C[C@@H]([N@H+]1CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C1)C2 ZINC001168271203 1072022143 /nfs/dbraw/zinc/02/21/43/1072022143.db2.gz GMDHWWUUQGIMDC-RMTZWNOUSA-N 2 1 410.602 3.623 20 0 HHADMP COc1ccc2c(c1)C[C@@H]([NH+]1CC[C@]3(C1)C[N@H+](CC1CC1)C[C@@H]3COCC1CC1)C2 ZINC001168271203 1072022153 /nfs/dbraw/zinc/02/21/53/1072022153.db2.gz GMDHWWUUQGIMDC-RMTZWNOUSA-N 2 1 410.602 3.623 20 0 HHADMP COc1ccc2c(c1)C[C@@H]([NH+]1CC[C@]3(C1)C[N@@H+](CC1CC1)C[C@@H]3COCC1CC1)C2 ZINC001168271203 1072022162 /nfs/dbraw/zinc/02/21/62/1072022162.db2.gz GMDHWWUUQGIMDC-RMTZWNOUSA-N 2 1 410.602 3.623 20 0 HHADMP COc1ccc2c(c1)C[C@H]([NH+]1CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC1)C2 ZINC001168272054 1072058589 /nfs/dbraw/zinc/05/85/89/1072058589.db2.gz KBHSHFOUPLSSLC-RPWUZVMVSA-N 2 1 406.570 3.918 20 0 HHADMP CN(C)[C@H](CNC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1)c1cccs1 ZINC000611648363 1072145198 /nfs/dbraw/zinc/14/51/98/1072145198.db2.gz LLLILGZZRBBIGL-LJQANCHMSA-N 2 1 421.010 3.922 20 0 HHADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)CC1)CC1CC1 ZINC000536738831 1072194592 /nfs/dbraw/zinc/19/45/92/1072194592.db2.gz UHJLUXMPYHSXDS-HSZRJFAPSA-N 2 1 412.622 3.848 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000586941420 1072504474 /nfs/dbraw/zinc/50/44/74/1072504474.db2.gz GHVOQJVYPBCSFE-DHIUTWEWSA-N 2 1 424.589 3.936 20 0 HHADMP C[NH+](C)C1CCC([N@@H+](Cc2ccncc2)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001168329904 1072509436 /nfs/dbraw/zinc/50/94/36/1072509436.db2.gz KLJAODCHDVVXRC-CBNMVNINSA-N 2 1 402.583 3.766 20 0 HHADMP Fc1cccnc1N1CC[C@]2(C1)C[N@@H+](C1CC[NH+](CC3CC3)CC1)CCC2(F)F ZINC001168379261 1072657010 /nfs/dbraw/zinc/65/70/10/1072657010.db2.gz GCQTXPJNYDKSTE-OAQYLSRUSA-N 2 1 408.512 3.633 20 0 HHADMP Fc1cccnc1N1CC[C@]2(C1)C[N@H+](C1CC[NH+](CC3CC3)CC1)CCC2(F)F ZINC001168379261 1072657015 /nfs/dbraw/zinc/65/70/15/1072657015.db2.gz GCQTXPJNYDKSTE-OAQYLSRUSA-N 2 1 408.512 3.633 20 0 HHADMP C[NH+](C)CC1CC[NH+](c2ccc(N[C@@H](Cc3ccc(Cl)cc3)C(N)=O)cc2)CC1 ZINC000760578880 1072663640 /nfs/dbraw/zinc/66/36/40/1072663640.db2.gz HUKRXQIWIAEWIH-QFIPXVFZSA-N 2 1 414.981 3.627 20 0 HHADMP CC(C)CNC(=O)c1cccc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)c1 ZINC000554851212 1072900967 /nfs/dbraw/zinc/90/09/67/1072900967.db2.gz CGCZAJHOLOOCEG-UHFFFAOYSA-N 2 1 402.542 3.943 20 0 HHADMP Cc1nc(-c2ccc(CC[NH2+]C[C@H](O)C[N@@H+](C)Cc3ccccc3)s2)cs1 ZINC000588689662 1073140451 /nfs/dbraw/zinc/14/04/51/1073140451.db2.gz PUHYFYXPAWDZEX-SFHVURJKSA-N 2 1 401.601 3.805 20 0 HHADMP Cc1nc(-c2ccc(CC[NH2+]C[C@H](O)C[N@H+](C)Cc3ccccc3)s2)cs1 ZINC000588689662 1073140454 /nfs/dbraw/zinc/14/04/54/1073140454.db2.gz PUHYFYXPAWDZEX-SFHVURJKSA-N 2 1 401.601 3.805 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](CC(=O)N(Cc3ccccc3)C(C)(C)C)CC2)C[C@H](C)O1 ZINC000588708727 1073154451 /nfs/dbraw/zinc/15/44/51/1073154451.db2.gz DEKHBPPFQCZHQL-OYRHEFFESA-N 2 1 415.622 3.635 20 0 HHADMP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000588711951 1073157639 /nfs/dbraw/zinc/15/76/39/1073157639.db2.gz VPUJHAALLHAUTR-JSXRDJHFSA-N 2 1 415.622 3.636 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NCc1ccccc1Cn1ccnc1)C1CC1 ZINC000555151449 1073204982 /nfs/dbraw/zinc/20/49/82/1073204982.db2.gz YVNNRXCVVWIEGV-DEOSSOPVSA-N 2 1 417.557 3.641 20 0 HHADMP O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000555211703 1073265236 /nfs/dbraw/zinc/26/52/36/1073265236.db2.gz OVOWAIAMNZGBOK-CCDWMCETSA-N 2 1 418.585 3.534 20 0 HHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(C(=O)OC)c(CC)o3)CC2)cs1 ZINC000555335572 1073360692 /nfs/dbraw/zinc/36/06/92/1073360692.db2.gz ONNINGZCMCTDMH-UHFFFAOYSA-N 2 1 405.564 3.649 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(OCc4ccncc4)cc3)CC2)C[C@H](C)O1 ZINC000590060568 1073535332 /nfs/dbraw/zinc/53/53/32/1073535332.db2.gz RRKGXVUEQVTADZ-OYRHEFFESA-N 2 1 409.574 3.982 20 0 HHADMP O=C(C[N@@H+]1CCCCC[C@@H]1Cc1ccccc1Cl)NC1CC[NH+](C2CC2)CC1 ZINC000555612305 1073674671 /nfs/dbraw/zinc/67/46/71/1073674671.db2.gz VIDJRHWTWASWJP-OAQYLSRUSA-N 2 1 403.998 3.870 20 0 HHADMP CCc1nccn1C[C@H]1CCCN1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000572985245 1073877856 /nfs/dbraw/zinc/87/78/56/1073877856.db2.gz FPIPBGSMEPNQLK-DHIUTWEWSA-N 2 1 423.605 3.922 20 0 HHADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000572985245 1073877862 /nfs/dbraw/zinc/87/78/62/1073877862.db2.gz FPIPBGSMEPNQLK-DHIUTWEWSA-N 2 1 423.605 3.922 20 0 HHADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000572985245 1073877876 /nfs/dbraw/zinc/87/78/76/1073877876.db2.gz FPIPBGSMEPNQLK-DHIUTWEWSA-N 2 1 423.605 3.922 20 0 HHADMP c1cc([C@@H]2CCC[NH+](Cc3ccccc3C[N@H+]3CCC[C@H](c4cc[nH]n4)C3)C2)n[nH]1 ZINC000590926738 1074039570 /nfs/dbraw/zinc/03/95/70/1074039570.db2.gz OQIPEEKFDZPYPF-SZPZYZBQSA-N 2 1 404.562 3.892 20 0 HHADMP c1cc([C@@H]2CCC[N@@H+](Cc3ccccc3C[NH+]3CCC[C@H](c4cc[nH]n4)C3)C2)n[nH]1 ZINC000590926738 1074039580 /nfs/dbraw/zinc/03/95/80/1074039580.db2.gz OQIPEEKFDZPYPF-SZPZYZBQSA-N 2 1 404.562 3.892 20 0 HHADMP c1cc([C@@H]2CCC[N@H+](Cc3ccccc3C[NH+]3CCC[C@H](c4cc[nH]n4)C3)C2)n[nH]1 ZINC000590926738 1074039588 /nfs/dbraw/zinc/03/95/88/1074039588.db2.gz OQIPEEKFDZPYPF-SZPZYZBQSA-N 2 1 404.562 3.892 20 0 HHADMP c1cc([C@@H]2CCC[NH+](Cc3ccc(C[N@H+]4CCC[C@H](c5cc[nH]n5)C4)cc3)C2)n[nH]1 ZINC000590929118 1074040332 /nfs/dbraw/zinc/04/03/32/1074040332.db2.gz SYVKQYURDAZAGE-SZPZYZBQSA-N 2 1 404.562 3.892 20 0 HHADMP c1cc([C@@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCC[C@H](c5cc[nH]n5)C4)cc3)C2)n[nH]1 ZINC000590929118 1074040340 /nfs/dbraw/zinc/04/03/40/1074040340.db2.gz SYVKQYURDAZAGE-SZPZYZBQSA-N 2 1 404.562 3.892 20 0 HHADMP c1cc([C@@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCC[C@H](c5cc[nH]n5)C4)cc3)C2)n[nH]1 ZINC000590929118 1074040347 /nfs/dbraw/zinc/04/03/47/1074040347.db2.gz SYVKQYURDAZAGE-SZPZYZBQSA-N 2 1 404.562 3.892 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001126962616 1074153674 /nfs/dbraw/zinc/15/36/74/1074153674.db2.gz ZNVNNVISDBZYJK-PEARBKPGSA-N 2 1 405.586 3.781 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001126962616 1074153676 /nfs/dbraw/zinc/15/36/76/1074153676.db2.gz ZNVNNVISDBZYJK-PEARBKPGSA-N 2 1 405.586 3.781 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001126962616 1074153679 /nfs/dbraw/zinc/15/36/79/1074153679.db2.gz ZNVNNVISDBZYJK-PEARBKPGSA-N 2 1 405.586 3.781 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000591448987 1074303790 /nfs/dbraw/zinc/30/37/90/1074303790.db2.gz CLWSWVNHUMQJBV-HXUWFJFHSA-N 2 1 401.595 3.886 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000591448987 1074303796 /nfs/dbraw/zinc/30/37/96/1074303796.db2.gz CLWSWVNHUMQJBV-HXUWFJFHSA-N 2 1 401.595 3.886 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000591448987 1074303802 /nfs/dbraw/zinc/30/38/02/1074303802.db2.gz CLWSWVNHUMQJBV-HXUWFJFHSA-N 2 1 401.595 3.886 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2cccc([C@H](C)N3CCOCC3)c2)CC1 ZINC000591522928 1074363518 /nfs/dbraw/zinc/36/35/18/1074363518.db2.gz YZBRHKGQOQOVOE-IBGZPJMESA-N 2 1 402.583 3.664 20 0 HHADMP CC[NH+](CC)C[C@H](C)NC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000596421171 1075559888 /nfs/dbraw/zinc/55/98/88/1075559888.db2.gz ULMLRRRZLGXSMR-HNNXBMFYSA-N 2 1 415.409 3.987 20 0 HHADMP C[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000596437814 1075561515 /nfs/dbraw/zinc/56/15/15/1075561515.db2.gz FBLIZFGSEWPWGS-INIZCTEOSA-N 2 1 413.393 3.599 20 0 HHADMP C[N@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000596437814 1075561521 /nfs/dbraw/zinc/56/15/21/1075561521.db2.gz FBLIZFGSEWPWGS-INIZCTEOSA-N 2 1 413.393 3.599 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000597886107 1075724466 /nfs/dbraw/zinc/72/44/66/1075724466.db2.gz NLYICHZNBUWONR-DQEYMECFSA-N 2 1 420.601 3.807 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000597886107 1075724472 /nfs/dbraw/zinc/72/44/72/1075724472.db2.gz NLYICHZNBUWONR-DQEYMECFSA-N 2 1 420.601 3.807 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000597886107 1075724475 /nfs/dbraw/zinc/72/44/75/1075724475.db2.gz NLYICHZNBUWONR-DQEYMECFSA-N 2 1 420.601 3.807 20 0 HHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCC[C@@H]5[NH2+]C[C@H]54)c23)C1 ZINC001164448929 719000290 /nfs/dbraw/zinc/00/02/90/719000290.db2.gz KCXAMASFTMSELT-BPQIPLTHSA-N 2 1 411.619 3.743 20 0 HHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCC[C@H]5[NH2+]C[C@H]54)c23)C1 ZINC001164448930 719000377 /nfs/dbraw/zinc/00/03/77/719000377.db2.gz KCXAMASFTMSELT-KBAYOESNSA-N 2 1 411.619 3.743 20 0 HHADMP CCOC(=O)c1c[nH]c2cc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)[nH+]cc21 ZINC001164627900 719094593 /nfs/dbraw/zinc/09/45/93/719094593.db2.gz LBNJRFUPDZCPOA-PGRDOPGGSA-N 2 1 404.514 3.840 20 0 HHADMP CCOC(=O)c1c[nH]c2cc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)[nH+]cc21 ZINC001164627900 719094600 /nfs/dbraw/zinc/09/46/00/719094600.db2.gz LBNJRFUPDZCPOA-PGRDOPGGSA-N 2 1 404.514 3.840 20 0 HHADMP C[NH+]1CCC(Oc2ccnc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2)CC1 ZINC001164628442 719110511 /nfs/dbraw/zinc/11/05/11/719110511.db2.gz MVOXFYPACPWBOG-XUZZJYLKSA-N 2 1 406.574 3.655 20 0 HHADMP C[N@@H+](Cc1ccc(N(c2cccc(F)c2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc1)C1CC1 ZINC001164646396 719297252 /nfs/dbraw/zinc/29/72/52/719297252.db2.gz BEERFEIBVOXOEW-LADGPHEKSA-N 2 1 410.537 3.864 20 0 HHADMP Cc1nc2sc3c(c2c(-n2nc(C[N@@H+](C)C(C)C)c4c2C[NH2+]CC4)n1)CCCCC3 ZINC001164680225 719641225 /nfs/dbraw/zinc/64/12/25/719641225.db2.gz SMPNTYFSLMJFMY-UHFFFAOYSA-N 2 1 424.618 3.940 20 0 HHADMP Cc1nc2sc3c(c2c(-n2nc(C[N@H+](C)C(C)C)c4c2C[NH2+]CC4)n1)CCCCC3 ZINC001164680225 719641230 /nfs/dbraw/zinc/64/12/30/719641230.db2.gz SMPNTYFSLMJFMY-UHFFFAOYSA-N 2 1 424.618 3.940 20 0 HHADMP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3c([nH+]1)CCCC3)CC2 ZINC001164718023 720112422 /nfs/dbraw/zinc/11/24/22/720112422.db2.gz QICMJHLRPPIDNI-QFIPXVFZSA-N 2 1 406.574 3.863 20 0 HHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3c([nH+]1)CCCC3)CC2 ZINC001164718023 720112429 /nfs/dbraw/zinc/11/24/29/720112429.db2.gz QICMJHLRPPIDNI-QFIPXVFZSA-N 2 1 406.574 3.863 20 0 HHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164815524 720127828 /nfs/dbraw/zinc/12/78/28/720127828.db2.gz WGJNKQJMLWIAKY-REWPJTCUSA-N 2 1 419.013 3.516 20 0 HHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164815524 720127836 /nfs/dbraw/zinc/12/78/36/720127836.db2.gz WGJNKQJMLWIAKY-REWPJTCUSA-N 2 1 419.013 3.516 20 0 HHADMP COc1ccc2c(cc[nH+]c2N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164836582 720520944 /nfs/dbraw/zinc/52/09/44/720520944.db2.gz NGKSYTHSUFITAQ-TXTKFYIRSA-N 2 1 405.546 3.818 20 0 HHADMP COc1ccc2c(cc[nH+]c2N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164836582 720520952 /nfs/dbraw/zinc/52/09/52/720520952.db2.gz NGKSYTHSUFITAQ-TXTKFYIRSA-N 2 1 405.546 3.818 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(-n3ccnc3)cc[nH+]1)CC2 ZINC001164842272 720721129 /nfs/dbraw/zinc/72/11/29/720721129.db2.gz XGPHIVNEBAPRMF-JOCHJYFZSA-N 2 1 403.530 3.527 20 0 HHADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)nc1 ZINC001164843001 720739922 /nfs/dbraw/zinc/73/99/22/720739922.db2.gz HBGLYFOXYJNTEO-QFIPXVFZSA-N 2 1 408.594 3.877 20 0 HHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@@H]3C2)nc1 ZINC001164768939 721234145 /nfs/dbraw/zinc/23/41/45/721234145.db2.gz YUWXLPHKBZPGLN-WXFUMESZSA-N 2 1 422.621 3.710 20 0 HHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1 ZINC001164768939 721234153 /nfs/dbraw/zinc/23/41/53/721234153.db2.gz YUWXLPHKBZPGLN-WXFUMESZSA-N 2 1 422.621 3.710 20 0 HHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1 ZINC001164768939 721234160 /nfs/dbraw/zinc/23/41/60/721234160.db2.gz YUWXLPHKBZPGLN-WXFUMESZSA-N 2 1 422.621 3.710 20 0 HHADMP C[NH+](Cc1ccc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc1)C1CC1 ZINC001164909460 721763187 /nfs/dbraw/zinc/76/31/87/721763187.db2.gz AGHOGMCCCLJSJO-UHFFFAOYSA-N 2 1 417.557 3.859 20 0 HHADMP C[NH+](Cc1ccc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc1)C1CC1 ZINC001164909460 721763192 /nfs/dbraw/zinc/76/31/92/721763192.db2.gz AGHOGMCCCLJSJO-UHFFFAOYSA-N 2 1 417.557 3.859 20 0 HHADMP C[NH+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(C[N@H+](C)C3CC3)cn1)C2 ZINC001164909460 721763197 /nfs/dbraw/zinc/76/31/97/721763197.db2.gz AGHOGMCCCLJSJO-UHFFFAOYSA-N 2 1 417.557 3.859 20 0 HHADMP C[NH+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)C2 ZINC001164909460 721763202 /nfs/dbraw/zinc/76/32/02/721763202.db2.gz AGHOGMCCCLJSJO-UHFFFAOYSA-N 2 1 417.557 3.859 20 0 HHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc4c3CC[NH2+]C4)C[C@H]21 ZINC001165023259 721821544 /nfs/dbraw/zinc/82/15/44/721821544.db2.gz ILVJZIUBJHOFLR-LDQXTDLNSA-N 2 1 411.981 3.513 20 0 HHADMP c1ccc(C[N@H+]2CCc3c(ncnc3N3CCCC[C@@H]3CC[NH+]3CCCC3)C2)cc1 ZINC001165046264 721969023 /nfs/dbraw/zinc/96/90/23/721969023.db2.gz CFPYJCWMSVFVOO-JOCHJYFZSA-N 2 1 405.590 3.880 20 0 HHADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCCC[C@@H]3CC[NH+]3CCCC3)C2)cc1 ZINC001165046264 721969025 /nfs/dbraw/zinc/96/90/25/721969025.db2.gz CFPYJCWMSVFVOO-JOCHJYFZSA-N 2 1 405.590 3.880 20 0 HHADMP CC[NH+](CC)C1CCN(c2nc3c(cc(C(=O)N(C)C)n3C3CCCC3)c[nH+]2)CC1 ZINC001165052976 722002993 /nfs/dbraw/zinc/00/29/93/722002993.db2.gz HGNZHPGYNLJUJX-UHFFFAOYSA-N 2 1 412.582 3.559 20 0 HHADMP C[NH+]1CCC(Oc2ccnc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2)CC1 ZINC001164996148 722212425 /nfs/dbraw/zinc/21/24/25/722212425.db2.gz MBTCKJWXATXDDE-VWLOTQADSA-N 2 1 424.564 3.939 20 0 HHADMP C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000542142456 1013076382 /nfs/dbraw/zinc/07/63/82/1013076382.db2.gz MXAVOIIGIFBYMY-HTAPYJJXSA-N 2 1 414.594 3.852 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537560856 1013089198 /nfs/dbraw/zinc/08/91/98/1013089198.db2.gz BBKZCIWSYKQHAY-DZFGPLHGSA-N 2 1 420.960 3.659 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537560856 1013089216 /nfs/dbraw/zinc/08/92/16/1013089216.db2.gz BBKZCIWSYKQHAY-DZFGPLHGSA-N 2 1 420.960 3.659 20 0 HHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000303293127 971605357 /nfs/dbraw/zinc/60/53/57/971605357.db2.gz MXYUBCOYWJLGRL-VQTJNVASSA-N 2 1 404.624 3.620 20 0 HHADMP C[C@@H](CNC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[NH+](C)Cc1ccccc1 ZINC000303509810 971809031 /nfs/dbraw/zinc/80/90/31/971809031.db2.gz SRBJHCUABIYSFA-PCCBWWKXSA-N 2 1 409.574 3.546 20 0 HHADMP C[C@@H](CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[NH+](C)Cc1ccccc1 ZINC000303509810 971809038 /nfs/dbraw/zinc/80/90/38/971809038.db2.gz SRBJHCUABIYSFA-PCCBWWKXSA-N 2 1 409.574 3.546 20 0 HHADMP C[C@@H](CNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1)[N@H+](C)Cc1ccccc1 ZINC000303509810 971809041 /nfs/dbraw/zinc/80/90/41/971809041.db2.gz SRBJHCUABIYSFA-PCCBWWKXSA-N 2 1 409.574 3.546 20 0 HHADMP C[C@@H](CNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000303509810 971809047 /nfs/dbraw/zinc/80/90/47/971809047.db2.gz SRBJHCUABIYSFA-PCCBWWKXSA-N 2 1 409.574 3.546 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccs1 ZINC000303511333 971811053 /nfs/dbraw/zinc/81/10/53/971811053.db2.gz WZXRDMFTZUQEJA-OTYNDTSQSA-N 2 1 412.603 3.846 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000303612293 971898870 /nfs/dbraw/zinc/89/88/70/971898870.db2.gz ZDRTZSBUIAJCLQ-SFHVURJKSA-N 2 1 415.557 3.555 20 0 HHADMP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c(-c2cccnc2)n1 ZINC000537629189 1013181380 /nfs/dbraw/zinc/18/13/80/1013181380.db2.gz YPRNXLDQKOHPBD-VWLOTQADSA-N 2 1 401.558 3.970 20 0 HHADMP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c(-c2cccnc2)n1 ZINC000537629189 1013181383 /nfs/dbraw/zinc/18/13/83/1013181383.db2.gz YPRNXLDQKOHPBD-VWLOTQADSA-N 2 1 401.558 3.970 20 0 HHADMP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c(-c2cccnc2)n1 ZINC000537629189 1013181388 /nfs/dbraw/zinc/18/13/88/1013181388.db2.gz YPRNXLDQKOHPBD-VWLOTQADSA-N 2 1 401.558 3.970 20 0 HHADMP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c(-c2cccnc2)n1 ZINC000537629189 1013181391 /nfs/dbraw/zinc/18/13/91/1013181391.db2.gz YPRNXLDQKOHPBD-VWLOTQADSA-N 2 1 401.558 3.970 20 0 HHADMP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc(C)c1OCc1ccccn1 ZINC000537661923 1013223112 /nfs/dbraw/zinc/22/31/12/1013223112.db2.gz VYBKSFSLAXNFRQ-VWLOTQADSA-N 2 1 422.617 3.878 20 0 HHADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)C1 ZINC000007340707 961135679 /nfs/dbraw/zinc/13/56/79/961135679.db2.gz WXCRFJMMVNLWDQ-OAQYLSRUSA-N 2 1 406.574 3.679 20 0 HHADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542325278 1013280148 /nfs/dbraw/zinc/28/01/48/1013280148.db2.gz NJHULBQBGZAIQD-JTJHWIPRSA-N 2 1 400.611 3.976 20 0 HHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542325278 1013280154 /nfs/dbraw/zinc/28/01/54/1013280154.db2.gz NJHULBQBGZAIQD-JTJHWIPRSA-N 2 1 400.611 3.976 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)Cc3ccc(Cl)cc3)cc2)CC1 ZINC000015479433 962771311 /nfs/dbraw/zinc/77/13/11/962771311.db2.gz PTLOHFMVUNUDOQ-UHFFFAOYSA-N 2 1 400.954 3.552 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)Cc3ccc(Cl)cc3)cc2)CC1 ZINC000015479433 962771331 /nfs/dbraw/zinc/77/13/31/962771331.db2.gz PTLOHFMVUNUDOQ-UHFFFAOYSA-N 2 1 400.954 3.552 20 0 HHADMP COc1ccc(NC(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000537846797 1013411579 /nfs/dbraw/zinc/41/15/79/1013411579.db2.gz VTPWRWKRYLRCAC-UHFFFAOYSA-N 2 1 416.953 3.921 20 0 HHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cnc4cc(C)nn4c3C)CC2)cs1 ZINC000537880215 1013459093 /nfs/dbraw/zinc/45/90/93/1013459093.db2.gz ZGMRJOKQYFGFSS-INIZCTEOSA-N 2 1 412.607 3.928 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCc3ccccc3C[NH+]3CCCC3)cc2)C[C@H](C)O1 ZINC000025073330 964165191 /nfs/dbraw/zinc/16/51/91/964165191.db2.gz SYICOCABLPOGAV-OYRHEFFESA-N 2 1 421.585 3.822 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCc3ccccc3C[NH+]3CCCC3)cc2)C[C@H](C)O1 ZINC000025073330 964165201 /nfs/dbraw/zinc/16/52/01/964165201.db2.gz SYICOCABLPOGAV-OYRHEFFESA-N 2 1 421.585 3.822 20 0 HHADMP C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542534028 1013478238 /nfs/dbraw/zinc/47/82/38/1013478238.db2.gz ZJVMAOMNKWPWGM-HOTGVXAUSA-N 2 1 421.969 3.682 20 0 HHADMP C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542534028 1013478242 /nfs/dbraw/zinc/47/82/42/1013478242.db2.gz ZJVMAOMNKWPWGM-HOTGVXAUSA-N 2 1 421.969 3.682 20 0 HHADMP COc1cccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1OC(C)C ZINC000025362178 964252649 /nfs/dbraw/zinc/25/26/49/964252649.db2.gz KRBVZLMANPKNNO-IBGZPJMESA-N 2 1 403.592 3.622 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCN(c3nc4ccccc4s3)CC2)[C@@H](C)C1 ZINC000537959019 1013538621 /nfs/dbraw/zinc/53/86/21/1013538621.db2.gz QYSMMJVAEBNPMH-AZUAARDMSA-N 2 1 416.635 3.992 20 0 HHADMP C[C@@H](NC(=O)N(C)CCC[N@@H+](C)Cc1ccco1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000553681502 1013542868 /nfs/dbraw/zinc/54/28/68/1013542868.db2.gz PAOLFIPELXHLLD-IRLDBZIGSA-N 2 1 412.578 3.654 20 0 HHADMP C[C@@H](NC(=O)N(C)CCC[NH+](C)Cc1ccco1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553681502 1013542874 /nfs/dbraw/zinc/54/28/74/1013542874.db2.gz PAOLFIPELXHLLD-IRLDBZIGSA-N 2 1 412.578 3.654 20 0 HHADMP C[C@@H](NC(=O)N(C)CCC[NH+](C)Cc1ccco1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553681502 1013542879 /nfs/dbraw/zinc/54/28/79/1013542879.db2.gz PAOLFIPELXHLLD-IRLDBZIGSA-N 2 1 412.578 3.654 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000537978621 1013554623 /nfs/dbraw/zinc/55/46/23/1013554623.db2.gz AQTKMWWVQXPXDE-GBXCKJPGSA-N 2 1 412.622 3.993 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000537978621 1013554631 /nfs/dbraw/zinc/55/46/31/1013554631.db2.gz AQTKMWWVQXPXDE-GBXCKJPGSA-N 2 1 412.622 3.993 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1Cl ZINC000054045760 965371608 /nfs/dbraw/zinc/37/16/08/965371608.db2.gz LOTRCEZYUTWQJV-QFIPXVFZSA-N 2 1 414.981 3.907 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)NC1CC[NH+](C2CC2)CC1 ZINC000057703054 965527880 /nfs/dbraw/zinc/52/78/80/965527880.db2.gz MDHZPRASAQTGJU-JOCHJYFZSA-N 2 1 424.614 3.774 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)NC1CC[NH+](C2CC2)CC1 ZINC000057703054 965527888 /nfs/dbraw/zinc/52/78/88/965527888.db2.gz MDHZPRASAQTGJU-JOCHJYFZSA-N 2 1 424.614 3.774 20 0 HHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cccc(OCc3ccccn3)c2)c2cccs2)CC1 ZINC000030543799 965724044 /nfs/dbraw/zinc/72/40/44/965724044.db2.gz QKVGSYPJJQIAHK-QHCPKHFHSA-N 2 1 422.598 3.800 20 0 HHADMP CC[N@@H+](CCC1CCN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)CC1)CC(C)C ZINC000538034614 1013607124 /nfs/dbraw/zinc/60/71/24/1013607124.db2.gz JSWUTWLKCAZROQ-DEOSSOPVSA-N 2 1 414.638 3.900 20 0 HHADMP CC[NH+](CCC1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1)CC(C)C ZINC000538034614 1013607127 /nfs/dbraw/zinc/60/71/27/1013607127.db2.gz JSWUTWLKCAZROQ-DEOSSOPVSA-N 2 1 414.638 3.900 20 0 HHADMP CC[NH+](CCC1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1)CC(C)C ZINC000538034614 1013607131 /nfs/dbraw/zinc/60/71/31/1013607131.db2.gz JSWUTWLKCAZROQ-DEOSSOPVSA-N 2 1 414.638 3.900 20 0 HHADMP CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000058884004 965940632 /nfs/dbraw/zinc/94/06/32/965940632.db2.gz ZRLLMRJXQKHAED-VWPQPMDRSA-N 2 1 401.595 3.885 20 0 HHADMP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+]CC3=CC[N@@H+](C)CC3)s2)cc1OC ZINC000553787032 1013614377 /nfs/dbraw/zinc/61/43/77/1013614377.db2.gz IRBQTSLBDNEAJA-HNNXBMFYSA-N 2 1 401.576 3.972 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccs1 ZINC000060244770 966081183 /nfs/dbraw/zinc/08/11/83/966081183.db2.gz AWVXUTRWRMIKJO-WMZOPIPTSA-N 2 1 406.621 3.624 20 0 HHADMP C[C@@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1nc2ccccc2n1C ZINC000538059654 1013636852 /nfs/dbraw/zinc/63/68/52/1013636852.db2.gz DWIFJGCLHHLDIY-OAQYLSRUSA-N 2 1 405.590 3.822 20 0 HHADMP C[NH+](C)CCC1CC[NH+](CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000056524249 966362203 /nfs/dbraw/zinc/36/22/03/966362203.db2.gz VTNJIAHBVWSAJF-QFIPXVFZSA-N 2 1 403.567 3.757 20 0 HHADMP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CC[NH+](CCc2cccs2)CC1 ZINC000056554595 966371274 /nfs/dbraw/zinc/37/12/74/966371274.db2.gz GPPYGMOKBSYYNE-LJQANCHMSA-N 2 1 418.632 3.516 20 0 HHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCN(c4cc[nH+]cc4)CC3)c2c1C ZINC000061173246 966389332 /nfs/dbraw/zinc/38/93/32/966389332.db2.gz IQJWTEHQVWSMGP-UHFFFAOYSA-N 2 1 408.575 3.626 20 0 HHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000056846058 966490608 /nfs/dbraw/zinc/49/06/08/966490608.db2.gz OPDDFPOPIMZESR-FQEVSTJZSA-N 2 1 400.611 3.934 20 0 HHADMP C[C@@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[N@H+]1CCCC[C@H]1C ZINC000061792217 966556786 /nfs/dbraw/zinc/55/67/86/966556786.db2.gz XBNZOTFVRRSMOR-MOPGFXCFSA-N 2 1 404.624 3.662 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063148918 966762046 /nfs/dbraw/zinc/76/20/46/966762046.db2.gz AJQAFFSDARNRBK-FQEVSTJZSA-N 2 1 402.652 3.770 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000064251169 967105109 /nfs/dbraw/zinc/10/51/09/967105109.db2.gz KLLQAJXYSUYNIX-IBGZPJMESA-N 2 1 406.640 3.914 20 0 HHADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000542848289 1013707609 /nfs/dbraw/zinc/70/76/09/1013707609.db2.gz WWOWGQWSIVPEPS-YADARESESA-N 2 1 424.589 3.978 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000065518114 967503525 /nfs/dbraw/zinc/50/35/25/967503525.db2.gz RVYNUIRVIAJNFO-HSZRJFAPSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000065518114 967503529 /nfs/dbraw/zinc/50/35/29/967503529.db2.gz RVYNUIRVIAJNFO-HSZRJFAPSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000065518114 967503532 /nfs/dbraw/zinc/50/35/32/967503532.db2.gz RVYNUIRVIAJNFO-HSZRJFAPSA-N 2 1 400.611 3.660 20 0 HHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H](c3ccsc3)[NH+](C)C)CC2)cc1 ZINC000046347153 967757458 /nfs/dbraw/zinc/75/74/58/967757458.db2.gz XKYOZKNCDDAEJP-OAQYLSRUSA-N 2 1 400.592 3.577 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2cc(OC)ncc2F)CC1 ZINC000554068734 1013784257 /nfs/dbraw/zinc/78/42/57/1013784257.db2.gz FHQMIEPVHIDZSB-HZPDHXFCSA-N 2 1 404.505 3.922 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2cc(OC)ncc2F)CC1 ZINC000554068738 1013784468 /nfs/dbraw/zinc/78/44/68/1013784468.db2.gz FHQMIEPVHIDZSB-JKSUJKDBSA-N 2 1 404.505 3.922 20 0 HHADMP COc1ccc(CNC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1OC ZINC000538263620 1013805345 /nfs/dbraw/zinc/80/53/45/1013805345.db2.gz ZXKAFKFTEJECIY-IRXDYDNUSA-N 2 1 422.529 3.553 20 0 HHADMP COc1ccc(CNC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1OC ZINC000538263619 1013805758 /nfs/dbraw/zinc/80/57/58/1013805758.db2.gz ZXKAFKFTEJECIY-IAGOWNOFSA-N 2 1 422.529 3.553 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(CC[NH+](C)C)C3CCCCC3)cc2)C[C@H](C)O1 ZINC000065746602 968622636 /nfs/dbraw/zinc/62/26/36/968622636.db2.gz ZLFIVCXIYNLHDH-BGYRXZFFSA-N 2 1 401.595 3.632 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(CC[NH+](C)C)C3CCCCC3)cc2)C[C@H](C)O1 ZINC000065746602 968622640 /nfs/dbraw/zinc/62/26/40/968622640.db2.gz ZLFIVCXIYNLHDH-BGYRXZFFSA-N 2 1 401.595 3.632 20 0 HHADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000065857873 968684007 /nfs/dbraw/zinc/68/40/07/968684007.db2.gz QALQYZBMKOFPIK-NRFANRHFSA-N 2 1 424.564 3.737 20 0 HHADMP C[NH+]1CCC2(CC1)C[C@@H]([NH2+][C@H]1CCN(c3ccccc3F)C1=O)c1ccccc1O2 ZINC000538297468 1013833012 /nfs/dbraw/zinc/83/30/12/1013833012.db2.gz SLJJEMVWCDVJTD-VQTJNVASSA-N 2 1 409.505 3.509 20 0 HHADMP COc1cccc([C@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)[NH+]2CCCC2)c1 ZINC000072027242 968940763 /nfs/dbraw/zinc/94/07/63/968940763.db2.gz FSFAXUWLRUKWRH-ZEQRLZLVSA-N 2 1 407.558 3.613 20 0 HHADMP COc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000072027248 968940803 /nfs/dbraw/zinc/94/08/03/968940803.db2.gz IHDQCJOQJJARHA-DNQXCXABSA-N 2 1 407.558 3.613 20 0 HHADMP C[N@@H+]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)[C@H](c2ccccc2)C1 ZINC000072036127 968947532 /nfs/dbraw/zinc/94/75/32/968947532.db2.gz YXCTYQOIIBJABU-DEOSSOPVSA-N 2 1 406.574 3.597 20 0 HHADMP C[N@H+]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)[C@H](c2ccccc2)C1 ZINC000072036127 968947541 /nfs/dbraw/zinc/94/75/41/968947541.db2.gz YXCTYQOIIBJABU-DEOSSOPVSA-N 2 1 406.574 3.597 20 0 HHADMP CC[N@@H+](C)[C@H](C(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1)c1ccccc1 ZINC000072096964 968989279 /nfs/dbraw/zinc/98/92/79/968989279.db2.gz FSWYIJIBELNFDY-VWLOTQADSA-N 2 1 422.617 3.706 20 0 HHADMP C[C@@H](c1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1)[NH+]1CCOCC1 ZINC000078872502 969020000 /nfs/dbraw/zinc/02/00/00/969020000.db2.gz PQHXKXQBGLSCTM-FQEVSTJZSA-N 2 1 410.562 3.676 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000096626715 969049500 /nfs/dbraw/zinc/04/95/00/969049500.db2.gz MLHKKCVZDCVZPL-QFIPXVFZSA-N 2 1 409.549 3.819 20 0 HHADMP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)cc2F)CC1 ZINC000097545714 969155286 /nfs/dbraw/zinc/15/52/86/969155286.db2.gz XINUSMNMWFGCGP-DEOSSOPVSA-N 2 1 424.564 3.959 20 0 HHADMP CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000110427348 969666764 /nfs/dbraw/zinc/66/67/64/969666764.db2.gz OHPBTOIDUBEGHT-WHLIWEHUSA-N 2 1 415.622 3.854 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@H](O)COc3ccc(C(C)(C)C)cc3)CC2)C[C@H](C)O1 ZINC000110430676 969667229 /nfs/dbraw/zinc/66/72/29/969667229.db2.gz CLMIRBYJPHHPGG-MZKRTTBSSA-N 2 1 418.622 3.545 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000116393333 969890308 /nfs/dbraw/zinc/89/03/08/969890308.db2.gz WFWRKTUBWOLURI-PXDATVDWSA-N 2 1 420.601 3.842 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000116393333 969890312 /nfs/dbraw/zinc/89/03/12/969890312.db2.gz WFWRKTUBWOLURI-PXDATVDWSA-N 2 1 420.601 3.842 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000116393333 969890315 /nfs/dbraw/zinc/89/03/15/969890315.db2.gz WFWRKTUBWOLURI-PXDATVDWSA-N 2 1 420.601 3.842 20 0 HHADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000116437221 969894899 /nfs/dbraw/zinc/89/48/99/969894899.db2.gz WJRANRZSEVPQCD-QFIPXVFZSA-N 2 1 424.614 3.790 20 0 HHADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000554372941 1013924766 /nfs/dbraw/zinc/92/47/66/1013924766.db2.gz AMDPUZUWPJKAIM-DFQSSKMNSA-N 2 1 411.512 3.963 20 0 HHADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)CC[N@H+]1Cc1ccccc1 ZINC000554372941 1013924771 /nfs/dbraw/zinc/92/47/71/1013924771.db2.gz AMDPUZUWPJKAIM-DFQSSKMNSA-N 2 1 411.512 3.963 20 0 HHADMP C[C@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554376049 1013925126 /nfs/dbraw/zinc/92/51/26/1013925126.db2.gz DGEAIPFMVDRCNA-YSIASYRMSA-N 2 1 411.512 3.820 20 0 HHADMP C[C@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554376047 1013925169 /nfs/dbraw/zinc/92/51/69/1013925169.db2.gz DGEAIPFMVDRCNA-DFQSSKMNSA-N 2 1 411.512 3.820 20 0 HHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C[C@H](C)O1 ZINC000195719215 969979083 /nfs/dbraw/zinc/97/90/83/969979083.db2.gz BYFQYIGDUPYKSE-CALCHBBNSA-N 2 1 421.383 3.614 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1 ZINC000138498570 969999259 /nfs/dbraw/zinc/99/92/59/969999259.db2.gz ZKEIGLZRFWWGMK-UHFFFAOYSA-N 2 1 409.578 3.520 20 0 HHADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000236825421 970177832 /nfs/dbraw/zinc/17/78/32/970177832.db2.gz KLUCYZPGUCIMEL-MRXNPFEDSA-N 2 1 404.352 3.855 20 0 HHADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000236825421 970177837 /nfs/dbraw/zinc/17/78/37/970177837.db2.gz KLUCYZPGUCIMEL-MRXNPFEDSA-N 2 1 404.352 3.855 20 0 HHADMP CCOc1cc(C[NH2+]C2CC[NH+](C)CC2)ccc1OCCOc1ccc(F)cc1 ZINC000236914985 970188974 /nfs/dbraw/zinc/18/89/74/970188974.db2.gz ZLNXFPFLWOBCFV-UHFFFAOYSA-N 2 1 402.510 3.866 20 0 HHADMP COCC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)CC1 ZINC000237129536 970227811 /nfs/dbraw/zinc/22/78/11/970227811.db2.gz QCEAYLBWHBPATL-UHFFFAOYSA-N 2 1 420.557 3.748 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2cnn(-c3ccccc3)c2)c1)C1CCOCC1 ZINC000237206936 970241597 /nfs/dbraw/zinc/24/15/97/970241597.db2.gz DIKFWJXTEFKKKO-UHFFFAOYSA-N 2 1 420.557 3.652 20 0 HHADMP COCCC[NH+]1CCC([NH2+]Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)CC1 ZINC000237208846 970242490 /nfs/dbraw/zinc/24/24/90/970242490.db2.gz UGKVCYCZAKKQQX-UHFFFAOYSA-N 2 1 411.546 3.538 20 0 HHADMP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000145400563 970259938 /nfs/dbraw/zinc/25/99/38/970259938.db2.gz UJOTYPPWZUOINB-NRFANRHFSA-N 2 1 412.603 3.534 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C1 ZINC000237739006 970351249 /nfs/dbraw/zinc/35/12/49/970351249.db2.gz FZEHORXTBNHYEL-IBGZPJMESA-N 2 1 412.578 3.850 20 0 HHADMP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cc(C(F)(F)F)ccc3F)c2)C1 ZINC000237933643 970397694 /nfs/dbraw/zinc/39/76/94/970397694.db2.gz IGYPNWOIWLFLLS-KRWDZBQOSA-N 2 1 423.454 3.832 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cc(C(F)(F)F)ccc3F)c2)C1 ZINC000237933643 970397701 /nfs/dbraw/zinc/39/77/01/970397701.db2.gz IGYPNWOIWLFLLS-KRWDZBQOSA-N 2 1 423.454 3.832 20 0 HHADMP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2csc(-c3ccccc3)n2)cc1 ZINC000238076766 970435831 /nfs/dbraw/zinc/43/58/31/970435831.db2.gz QJHRHGIFUZYNNC-UHFFFAOYSA-N 2 1 420.582 3.926 20 0 HHADMP C[C@H]([NH2+]CC(=O)Nc1cccc(Br)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388678309 972806313 /nfs/dbraw/zinc/80/63/13/972806313.db2.gz RHWVKFNVHNXXEX-FUHWJXTLSA-N 2 1 416.363 3.888 20 0 HHADMP C[C@H]([NH2+]CC(=O)Nc1cccc(Br)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388678309 972806328 /nfs/dbraw/zinc/80/63/28/972806328.db2.gz RHWVKFNVHNXXEX-FUHWJXTLSA-N 2 1 416.363 3.888 20 0 HHADMP C[C@H]([NH2+]CC(=O)Nc1cccc(Br)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388678311 972806929 /nfs/dbraw/zinc/80/69/29/972806929.db2.gz RHWVKFNVHNXXEX-WMZOPIPTSA-N 2 1 416.363 3.888 20 0 HHADMP C[C@H]([NH2+]CC(=O)Nc1cccc(Br)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388678311 972806940 /nfs/dbraw/zinc/80/69/40/972806940.db2.gz RHWVKFNVHNXXEX-WMZOPIPTSA-N 2 1 416.363 3.888 20 0 HHADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)COc1c(Cl)cccc1Cl ZINC000389120947 972809714 /nfs/dbraw/zinc/80/97/14/972809714.db2.gz RXDFVNCQNMHFPR-GOSISDBHSA-N 2 1 409.357 3.987 20 0 HHADMP COc1ccccc1-c1ccc(C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C(C)C)cc1 ZINC000554820487 1014058897 /nfs/dbraw/zinc/05/88/97/1014058897.db2.gz SWURZRQKLSZOPT-UHFFFAOYSA-N 2 1 409.574 3.737 20 0 HHADMP COc1ccccc1-c1ccc(C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C(C)C)cc1 ZINC000554820487 1014058906 /nfs/dbraw/zinc/05/89/06/1014058906.db2.gz SWURZRQKLSZOPT-UHFFFAOYSA-N 2 1 409.574 3.737 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCc3cccc(C[NH+](C)C)c3)cc2)C1 ZINC000410354877 973946010 /nfs/dbraw/zinc/94/60/10/973946010.db2.gz XWHOPDCIYWIGAG-FQEVSTJZSA-N 2 1 408.590 3.980 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)cc2)C1 ZINC000410377208 973974950 /nfs/dbraw/zinc/97/49/50/973974950.db2.gz YPMUVJFALHUZJC-PXDATVDWSA-N 2 1 420.601 3.992 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)C1 ZINC000410377208 973974959 /nfs/dbraw/zinc/97/49/59/973974959.db2.gz YPMUVJFALHUZJC-PXDATVDWSA-N 2 1 420.601 3.992 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)C1 ZINC000410377208 973974964 /nfs/dbraw/zinc/97/49/64/973974964.db2.gz YPMUVJFALHUZJC-PXDATVDWSA-N 2 1 420.601 3.992 20 0 HHADMP CC[N@@H+](CCNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1)CCC(F)(F)F ZINC000425975257 974082872 /nfs/dbraw/zinc/08/28/72/974082872.db2.gz BQNNOJFEZOZNKD-IBGZPJMESA-N 2 1 414.516 3.567 20 0 HHADMP CC[NH+](CCNC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)CCC(F)(F)F ZINC000425975257 974082904 /nfs/dbraw/zinc/08/29/04/974082904.db2.gz BQNNOJFEZOZNKD-IBGZPJMESA-N 2 1 414.516 3.567 20 0 HHADMP CC[NH+](CCNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)CCC(F)(F)F ZINC000425975257 974082937 /nfs/dbraw/zinc/08/29/37/974082937.db2.gz BQNNOJFEZOZNKD-IBGZPJMESA-N 2 1 414.516 3.567 20 0 HHADMP CC[N@@H+](CCNC(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1)CCC(F)(F)F ZINC000425975745 974083152 /nfs/dbraw/zinc/08/31/52/974083152.db2.gz CWHVIYCZFSUHLF-GOSISDBHSA-N 2 1 420.564 3.947 20 0 HHADMP CC[NH+](CCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)CCC(F)(F)F ZINC000425975745 974083260 /nfs/dbraw/zinc/08/32/60/974083260.db2.gz CWHVIYCZFSUHLF-GOSISDBHSA-N 2 1 420.564 3.947 20 0 HHADMP CC[NH+](CCNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)CCC(F)(F)F ZINC000425975745 974083300 /nfs/dbraw/zinc/08/33/00/974083300.db2.gz CWHVIYCZFSUHLF-GOSISDBHSA-N 2 1 420.564 3.947 20 0 HHADMP COC(=O)C1CCC([NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)CC1 ZINC000426061783 974185166 /nfs/dbraw/zinc/18/51/66/974185166.db2.gz VTEPPUPTMUCJCX-IVCWUUCSSA-N 2 1 402.579 3.517 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2ccccc2n1CC(F)(F)F ZINC000426120443 974243552 /nfs/dbraw/zinc/24/35/52/974243552.db2.gz QXVJJZOOOXBYRX-SFHVURJKSA-N 2 1 424.511 3.692 20 0 HHADMP Cn1c2ccccc2cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1=O ZINC000426302176 974382106 /nfs/dbraw/zinc/38/21/06/974382106.db2.gz HFXKQTOSFNQQCB-OEMFJLHTSA-N 2 1 401.554 3.929 20 0 HHADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccn(-c4ccc(F)cc4)n3)CC2)C[C@@H](C)O1 ZINC000426765328 974643204 /nfs/dbraw/zinc/64/32/04/974643204.db2.gz MOGQXZNGKLSGHF-RTBURBONSA-N 2 1 400.542 3.723 20 0 HHADMP Cc1sc(NC(=O)C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(C)c1C ZINC000426774524 974650928 /nfs/dbraw/zinc/65/09/28/974650928.db2.gz PAWQTLIKJUMFQQ-HOTGVXAUSA-N 2 1 407.624 3.823 20 0 HHADMP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000426786675 974658572 /nfs/dbraw/zinc/65/85/72/974658572.db2.gz XHYUDAKYQYIQRK-ACRUOGEOSA-N 2 1 401.595 3.842 20 0 HHADMP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1C ZINC000426811599 974678421 /nfs/dbraw/zinc/67/84/21/974678421.db2.gz NOKSKLJUHWITHB-ZJOUEHCJSA-N 2 1 401.595 3.842 20 0 HHADMP CCc1cccc(CC)c1NC(=O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426812706 974679294 /nfs/dbraw/zinc/67/92/94/974679294.db2.gz ROFSYHWYLXTBAQ-WOJBJXKFSA-N 2 1 415.622 3.961 20 0 HHADMP C[C@@H](C(=O)NCc1ccccc1Cl)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426827107 974691875 /nfs/dbraw/zinc/69/18/75/974691875.db2.gz HIPLNYUILHMBMR-OTWHNJEPSA-N 2 1 422.013 3.556 20 0 HHADMP Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426828891 974693953 /nfs/dbraw/zinc/69/39/53/974693953.db2.gz XDZMWJNZRIXQDW-CEXWTWQISA-N 2 1 405.558 3.672 20 0 HHADMP Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426828891 974693955 /nfs/dbraw/zinc/69/39/55/974693955.db2.gz XDZMWJNZRIXQDW-CEXWTWQISA-N 2 1 405.558 3.672 20 0 HHADMP CC[NH+](CC)CCOc1ccc(C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)cc1 ZINC000427235679 974996560 /nfs/dbraw/zinc/99/65/60/974996560.db2.gz YCXFOBXHMOTFEQ-UHFFFAOYSA-N 2 1 410.562 3.641 20 0 HHADMP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000427937630 975357987 /nfs/dbraw/zinc/35/79/87/975357987.db2.gz ZOPAVWNUGBANOX-CVDCTZTESA-N 2 1 400.611 3.569 20 0 HHADMP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000427937630 975357994 /nfs/dbraw/zinc/35/79/94/975357994.db2.gz ZOPAVWNUGBANOX-CVDCTZTESA-N 2 1 400.611 3.569 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000428270325 975584753 /nfs/dbraw/zinc/58/47/53/975584753.db2.gz MYNDNPOCCQTXAH-DUXKGJEZSA-N 2 1 400.592 3.703 20 0 HHADMP CC[N@@H+]1CCCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCc3sccc3C2)CC1 ZINC000428696677 975986952 /nfs/dbraw/zinc/98/69/52/975986952.db2.gz ZYSBFPAHBSJBBW-NRFANRHFSA-N 2 1 412.603 3.585 20 0 HHADMP CC[N@H+]1CCCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCc3sccc3C2)CC1 ZINC000428696677 975986956 /nfs/dbraw/zinc/98/69/56/975986956.db2.gz ZYSBFPAHBSJBBW-NRFANRHFSA-N 2 1 412.603 3.585 20 0 HHADMP CC[NH+]1CCCN(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC1 ZINC000428696677 975986960 /nfs/dbraw/zinc/98/69/60/975986960.db2.gz ZYSBFPAHBSJBBW-NRFANRHFSA-N 2 1 412.603 3.585 20 0 HHADMP CC[NH+]1CCCN(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CC1 ZINC000428696677 975986964 /nfs/dbraw/zinc/98/69/64/975986964.db2.gz ZYSBFPAHBSJBBW-NRFANRHFSA-N 2 1 412.603 3.585 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000428856512 976146784 /nfs/dbraw/zinc/14/67/84/976146784.db2.gz NILJXYSBCAISAV-FYYLOGMGSA-N 2 1 400.611 3.995 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NCC[NH+](C)Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000428918183 976219296 /nfs/dbraw/zinc/21/92/96/976219296.db2.gz AVYMYZDDJBTQJC-XXBNENTESA-N 2 1 412.553 3.610 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000428918183 976219306 /nfs/dbraw/zinc/21/93/06/976219306.db2.gz AVYMYZDDJBTQJC-XXBNENTESA-N 2 1 412.553 3.610 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000428918183 976219317 /nfs/dbraw/zinc/21/93/17/976219317.db2.gz AVYMYZDDJBTQJC-XXBNENTESA-N 2 1 412.553 3.610 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)N(C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1)C(C)C ZINC000428960899 976250096 /nfs/dbraw/zinc/25/00/96/976250096.db2.gz FDDQCDGGZKFTPJ-AREMUKBSSA-N 2 1 423.601 3.626 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1)C(C)C ZINC000428960899 976250108 /nfs/dbraw/zinc/25/01/08/976250108.db2.gz FDDQCDGGZKFTPJ-AREMUKBSSA-N 2 1 423.601 3.626 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1)C(C)C ZINC000428960899 976250122 /nfs/dbraw/zinc/25/01/22/976250122.db2.gz FDDQCDGGZKFTPJ-AREMUKBSSA-N 2 1 423.601 3.626 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC[C@@H]4C[NH+](Cc5ccccc5)CCCO4)[C@@H]3C2)cc1 ZINC000429432421 976711964 /nfs/dbraw/zinc/71/19/64/976711964.db2.gz XCIBUANHKBOJOD-FICKONGGSA-N 2 1 419.613 3.778 20 0 HHADMP c1ccc(C[NH+]2C[C@@H]3CC[C@@H](NC[C@@H]4C[N@H+](Cc5ccccc5)CCCO4)[C@@H]3C2)cc1 ZINC000429432421 976711971 /nfs/dbraw/zinc/71/19/71/976711971.db2.gz XCIBUANHKBOJOD-FICKONGGSA-N 2 1 419.613 3.778 20 0 HHADMP c1ccc(C[NH+]2C[C@@H]3CC[C@@H](NC[C@@H]4C[N@@H+](Cc5ccccc5)CCCO4)[C@@H]3C2)cc1 ZINC000429432421 976711983 /nfs/dbraw/zinc/71/19/83/976711983.db2.gz XCIBUANHKBOJOD-FICKONGGSA-N 2 1 419.613 3.778 20 0 HHADMP c1ccc(CN2CCCO[C@H](C[NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)C2)cc1 ZINC000429432421 976711989 /nfs/dbraw/zinc/71/19/89/976711989.db2.gz XCIBUANHKBOJOD-FICKONGGSA-N 2 1 419.613 3.778 20 0 HHADMP c1ccc(CN2CCCO[C@H](C[NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)C2)cc1 ZINC000429432421 976712001 /nfs/dbraw/zinc/71/20/01/976712001.db2.gz XCIBUANHKBOJOD-FICKONGGSA-N 2 1 419.613 3.778 20 0 HHADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000429484938 976744814 /nfs/dbraw/zinc/74/48/14/976744814.db2.gz COSMTQCHEPUZQW-GOTSBHOMSA-N 2 1 423.605 3.839 20 0 HHADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000429484938 976744825 /nfs/dbraw/zinc/74/48/25/976744825.db2.gz COSMTQCHEPUZQW-GOTSBHOMSA-N 2 1 423.605 3.839 20 0 HHADMP COc1cccc([C@H](C)[NH+]2CCN(C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)c1 ZINC000429686973 976980008 /nfs/dbraw/zinc/98/00/08/976980008.db2.gz UMZDWVLTUWXSDW-NVQXNPDNSA-N 2 1 423.601 3.665 20 0 HHADMP COc1cccc([C@H](C)[NH+]2CCN(C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)c1 ZINC000429686973 976980016 /nfs/dbraw/zinc/98/00/16/976980016.db2.gz UMZDWVLTUWXSDW-NVQXNPDNSA-N 2 1 423.601 3.665 20 0 HHADMP Cc1ccc(-c2ocnc2C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000430670756 977681943 /nfs/dbraw/zinc/68/19/43/977681943.db2.gz OGQNAMSLYYLQMP-UHFFFAOYSA-N 2 1 424.589 3.918 20 0 HHADMP COc1nc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc2ccccc21 ZINC000430676288 977686779 /nfs/dbraw/zinc/68/67/79/977686779.db2.gz HFDGEIKPVNDUBS-UHFFFAOYSA-N 2 1 424.589 3.512 20 0 HHADMP CS[C@@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000430677042 977688180 /nfs/dbraw/zinc/68/81/80/977688180.db2.gz PTGDHNVASCNHRT-JOCHJYFZSA-N 2 1 403.636 3.745 20 0 HHADMP C[C@@H](Cc1cccc(F)c1)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430679762 977689687 /nfs/dbraw/zinc/68/96/87/977689687.db2.gz QPUFQMDTIGWKFA-IBGZPJMESA-N 2 1 403.586 3.659 20 0 HHADMP C[C@@H](CCOc1ccccc1)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430679594 977689840 /nfs/dbraw/zinc/68/98/40/977689840.db2.gz VTGOLZMNZGQNTH-NRFANRHFSA-N 2 1 415.622 3.746 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCc1cccc(F)c1F ZINC000430680645 977690844 /nfs/dbraw/zinc/69/08/44/977690844.db2.gz SYWXMGIMCGWFDB-UHFFFAOYSA-N 2 1 407.549 3.552 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1CCSc2ccccc21 ZINC000430688727 977696843 /nfs/dbraw/zinc/69/68/43/977696843.db2.gz ZMZGYBNBHUHGDI-QFIPXVFZSA-N 2 1 415.647 3.921 20 0 HHADMP CCc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000430911947 977881373 /nfs/dbraw/zinc/88/13/73/977881373.db2.gz JOVVFEIIKHWIPS-HXUWFJFHSA-N 2 1 414.638 3.704 20 0 HHADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430914278 977883326 /nfs/dbraw/zinc/88/33/26/977883326.db2.gz IXMQLEDYRWEEOP-GOSISDBHSA-N 2 1 421.029 3.795 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1c[nH]cc1-c1ccccc1 ZINC000430995397 977940926 /nfs/dbraw/zinc/94/09/26/977940926.db2.gz FGDWUBSPFJWOIA-UHFFFAOYSA-N 2 1 408.590 3.950 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000431002127 977947620 /nfs/dbraw/zinc/94/76/20/977947620.db2.gz XULXNAQTJXTFRF-UHFFFAOYSA-N 2 1 414.569 3.504 20 0 HHADMP Cc1cc(NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000431129375 978037294 /nfs/dbraw/zinc/03/72/94/978037294.db2.gz PZEDYIDVXYKRCU-FQEVSTJZSA-N 2 1 424.593 3.587 20 0 HHADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431286236 978172476 /nfs/dbraw/zinc/17/24/76/978172476.db2.gz XDSUHRBTKNNRQP-FCHUYYIVSA-N 2 1 412.622 3.805 20 0 HHADMP CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000431652755 978412397 /nfs/dbraw/zinc/41/23/97/978412397.db2.gz WMKMOOMHGOLHGN-QPPBQGQZSA-N 2 1 414.638 3.954 20 0 HHADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000431721545 978459345 /nfs/dbraw/zinc/45/93/45/978459345.db2.gz DXEQSDNSGXWBLG-UHFFFAOYSA-N 2 1 406.534 3.707 20 0 HHADMP C[C@H](Cc1ccccc1F)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431774106 978502001 /nfs/dbraw/zinc/50/20/01/978502001.db2.gz DKZIRCDHLBFQMT-LJQANCHMSA-N 2 1 418.601 3.594 20 0 HHADMP COc1cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)ccc1OCc1cccs1 ZINC000432365225 978779650 /nfs/dbraw/zinc/77/96/50/978779650.db2.gz RKPXUJZBGZBPCT-GOSISDBHSA-N 2 1 404.576 3.926 20 0 HHADMP O=C(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1ccnn1C1CCCC1 ZINC000433044687 979050659 /nfs/dbraw/zinc/05/06/59/979050659.db2.gz NRMSQWDFKZOHSY-UHFFFAOYSA-N 2 1 421.589 3.925 20 0 HHADMP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1ccnn1C1CCCC1 ZINC000433044687 979050665 /nfs/dbraw/zinc/05/06/65/979050665.db2.gz NRMSQWDFKZOHSY-UHFFFAOYSA-N 2 1 421.589 3.925 20 0 HHADMP CC[NH+](CC)Cc1cc([C@@H](C)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)ccc1OC ZINC000433097037 979071209 /nfs/dbraw/zinc/07/12/09/979071209.db2.gz KDYZAZVHDBOHHA-GOSISDBHSA-N 2 1 424.589 3.554 20 0 HHADMP CC[NH+](CC)Cc1cc([C@@H](C)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)ccc1OC ZINC000433097037 979071220 /nfs/dbraw/zinc/07/12/20/979071220.db2.gz KDYZAZVHDBOHHA-GOSISDBHSA-N 2 1 424.589 3.554 20 0 HHADMP Cn1nc(C(C)(C)C)cc1NC(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433180689 979123976 /nfs/dbraw/zinc/12/39/76/979123976.db2.gz YLFUBJSNLKDUID-UHFFFAOYSA-N 2 1 423.605 3.644 20 0 HHADMP Cn1nc(C(C)(C)C)cc1NC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433180689 979123980 /nfs/dbraw/zinc/12/39/80/979123980.db2.gz YLFUBJSNLKDUID-UHFFFAOYSA-N 2 1 423.605 3.644 20 0 HHADMP COc1cc(C[NH+]2CCC[C@@H]2[C@@H]2CCCO2)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000433209518 979144141 /nfs/dbraw/zinc/14/41/41/979144141.db2.gz REWDZYYPYPKXIQ-NGSHPTGOSA-N 2 1 414.590 3.982 20 0 HHADMP Cc1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)n([C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000435521264 980916988 /nfs/dbraw/zinc/91/69/88/980916988.db2.gz GJKPJZOGXPMARF-KSEOMHKRSA-N 2 1 424.593 3.585 20 0 HHADMP C[N@H+](Cc1ccccc1NC(=O)C(=O)N1CCC(c2cnc[nH]2)CC1)C1CCCCC1 ZINC000435643654 980972545 /nfs/dbraw/zinc/97/25/45/980972545.db2.gz DKVYDIXPCWPAIK-UHFFFAOYSA-N 2 1 423.561 3.519 20 0 HHADMP C[N@@H+](Cc1ccccc1NC(=O)C(=O)N1CCC(c2cnc[nH]2)CC1)C1CCCCC1 ZINC000435643654 980972550 /nfs/dbraw/zinc/97/25/50/980972550.db2.gz DKVYDIXPCWPAIK-UHFFFAOYSA-N 2 1 423.561 3.519 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)c1 ZINC000436283191 981283000 /nfs/dbraw/zinc/28/30/00/981283000.db2.gz VOSSXSBBQLTSTC-XZOQPEGZSA-N 2 1 407.558 3.773 20 0 HHADMP COc1cc(-c2noc(CCCCC[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)n2)ccc1O ZINC000436742524 981541495 /nfs/dbraw/zinc/54/14/95/981541495.db2.gz WMRJOFJTIYPCGY-IPMKNSEASA-N 2 1 414.550 3.626 20 0 HHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000448217400 981631749 /nfs/dbraw/zinc/63/17/49/981631749.db2.gz MAWFHSORVUXEBE-HXUWFJFHSA-N 2 1 423.605 3.959 20 0 HHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000448217400 981631752 /nfs/dbraw/zinc/63/17/52/981631752.db2.gz MAWFHSORVUXEBE-HXUWFJFHSA-N 2 1 423.605 3.959 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000437037245 981707635 /nfs/dbraw/zinc/70/76/35/981707635.db2.gz MCWWBHBSEYZGDU-HSZRJFAPSA-N 2 1 423.626 3.830 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)C1 ZINC000448365097 981725758 /nfs/dbraw/zinc/72/57/58/981725758.db2.gz HMVDPRRCKWLRGW-UXHICEINSA-N 2 1 402.583 3.569 20 0 HHADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000448365097 981725760 /nfs/dbraw/zinc/72/57/60/981725760.db2.gz HMVDPRRCKWLRGW-UXHICEINSA-N 2 1 402.583 3.569 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000448365097 981725764 /nfs/dbraw/zinc/72/57/64/981725764.db2.gz HMVDPRRCKWLRGW-UXHICEINSA-N 2 1 402.583 3.569 20 0 HHADMP C[C@H](c1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1)[NH+]1CCOCC1 ZINC000448369232 981728900 /nfs/dbraw/zinc/72/89/00/981728900.db2.gz ZDTSRSLZHSSQNB-KKLQWCBXSA-N 2 1 412.578 3.560 20 0 HHADMP C[C@H](c1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1)[NH+]1CCOCC1 ZINC000448369232 981728907 /nfs/dbraw/zinc/72/89/07/981728907.db2.gz ZDTSRSLZHSSQNB-KKLQWCBXSA-N 2 1 412.578 3.560 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000448463867 981797204 /nfs/dbraw/zinc/79/72/04/981797204.db2.gz DRAYJHWYVKWSJP-QHCPKHFHSA-N 2 1 400.611 3.840 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)[C@H](C)C1 ZINC000448463438 981797330 /nfs/dbraw/zinc/79/73/30/981797330.db2.gz BTRHOMJDMUWTTQ-HJNYFJLDSA-N 2 1 416.610 3.594 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000448473815 981816051 /nfs/dbraw/zinc/81/60/51/981816051.db2.gz UHTIRLUXANJSRS-QNWVGRARSA-N 2 1 414.638 3.810 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(F)cc1 ZINC000460100039 981876235 /nfs/dbraw/zinc/87/62/35/981876235.db2.gz CSSYRHQVXRPJNI-WMTXJRDZSA-N 2 1 424.564 3.592 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000460254891 982031871 /nfs/dbraw/zinc/03/18/71/982031871.db2.gz WKSVVEVPIIYJNP-OAHLLOKOSA-N 2 1 418.916 3.821 20 0 HHADMP C[NH+](C)Cc1cc(CNC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1F ZINC000460338290 982110222 /nfs/dbraw/zinc/11/02/22/982110222.db2.gz IXAUJBJJNBASIU-GGAORHGYSA-N 2 1 424.564 3.551 20 0 HHADMP COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000460363420 982138576 /nfs/dbraw/zinc/13/85/76/982138576.db2.gz OGTZVJKMBJKVBE-PBQROFAYSA-N 2 1 409.574 3.619 20 0 HHADMP COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000460363420 982138585 /nfs/dbraw/zinc/13/85/85/982138585.db2.gz OGTZVJKMBJKVBE-PBQROFAYSA-N 2 1 409.574 3.619 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000437548220 982178218 /nfs/dbraw/zinc/17/82/18/982178218.db2.gz KQTTXQBPHXUMJQ-XXBNENTESA-N 2 1 413.610 3.703 20 0 HHADMP O=C(NC1CC[NH+](C2CCCC2)CC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460472864 982266028 /nfs/dbraw/zinc/26/60/28/982266028.db2.gz ZLKDIZHHPNGJPA-FCHUYYIVSA-N 2 1 410.606 3.557 20 0 HHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000438060171 982561060 /nfs/dbraw/zinc/56/10/60/982561060.db2.gz PNQQSGUAHZTVFG-NRFANRHFSA-N 2 1 402.583 3.793 20 0 HHADMP CCOC(=O)Cn1nc(C)c(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)c1C ZINC000438086645 982579906 /nfs/dbraw/zinc/57/99/06/982579906.db2.gz BWKAOHBLEVRXDL-GOSISDBHSA-N 2 1 412.578 3.727 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCCCCOc3ccccc3)CC2)CC1 ZINC000438126723 982600751 /nfs/dbraw/zinc/60/07/51/982600751.db2.gz LFZMPFZQTIJHJD-UHFFFAOYSA-N 2 1 401.595 3.502 20 0 HHADMP O=C(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438540367 982877647 /nfs/dbraw/zinc/87/76/47/982877647.db2.gz JMGMOUMKVMIBDJ-QFIPXVFZSA-N 2 1 419.997 3.706 20 0 HHADMP C[C@@H](c1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccs2)cc1)[NH+]1CCOCC1 ZINC000438642560 982961505 /nfs/dbraw/zinc/96/15/05/982961505.db2.gz AIVULSOOTGGKCW-SFHVURJKSA-N 2 1 416.591 3.737 20 0 HHADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000461433719 983097076 /nfs/dbraw/zinc/09/70/76/983097076.db2.gz WSZVCXHZQRLTCJ-SDHOMARFSA-N 2 1 403.570 3.632 20 0 HHADMP O=C([C@@H]1CCC[NH+]1Cc1ccccc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461433719 983097079 /nfs/dbraw/zinc/09/70/79/983097079.db2.gz WSZVCXHZQRLTCJ-SDHOMARFSA-N 2 1 403.570 3.632 20 0 HHADMP O=C([C@@H]1CCC[NH+]1Cc1ccccc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461433719 983097082 /nfs/dbraw/zinc/09/70/82/983097082.db2.gz WSZVCXHZQRLTCJ-SDHOMARFSA-N 2 1 403.570 3.632 20 0 HHADMP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461438701 983102641 /nfs/dbraw/zinc/10/26/41/983102641.db2.gz MNUBCCSOERYBBS-LOSJGSFVSA-N 2 1 403.570 3.877 20 0 HHADMP O=C(N1CC[C@@H](C[NH+]2CCCCC2)C1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000461446676 983111615 /nfs/dbraw/zinc/11/16/15/983111615.db2.gz LGWDIEQKFINQDK-UNMCSNQZSA-N 2 1 423.523 3.775 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000438962117 983180089 /nfs/dbraw/zinc/18/00/89/983180089.db2.gz BVWUBMUCGGNZOH-LJQANCHMSA-N 2 1 401.599 3.561 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000439194283 983303217 /nfs/dbraw/zinc/30/32/17/983303217.db2.gz VYIVLSIJADEUAK-NMMYMHLASA-N 2 1 421.589 3.569 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000440818799 983920263 /nfs/dbraw/zinc/92/02/63/983920263.db2.gz VBOQPXVXOMASPD-RZFJCUDFSA-N 2 1 400.611 3.838 20 0 HHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000440826300 983924945 /nfs/dbraw/zinc/92/49/45/983924945.db2.gz MBOKWCGZNAQQPG-VWRAKTAISA-N 2 1 400.611 3.981 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000441192129 984107675 /nfs/dbraw/zinc/10/76/75/984107675.db2.gz DBFPHCKDYHROIO-AGILITTLSA-N 2 1 407.558 3.866 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000441270454 984150557 /nfs/dbraw/zinc/15/05/57/984150557.db2.gz UIPYMHSULWZRKJ-WNOPAQSVSA-N 2 1 423.557 3.991 20 0 HHADMP O=C(CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccccc1Br ZINC000441392014 984226938 /nfs/dbraw/zinc/22/69/38/984226938.db2.gz ASASLRDFSPLGPZ-KXBFYZLASA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccccc1Br ZINC000441392014 984226943 /nfs/dbraw/zinc/22/69/43/984226943.db2.gz ASASLRDFSPLGPZ-KXBFYZLASA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccccc1Br ZINC000441392014 984226946 /nfs/dbraw/zinc/22/69/46/984226946.db2.gz ASASLRDFSPLGPZ-KXBFYZLASA-N 2 1 406.368 3.726 20 0 HHADMP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccccc1Br ZINC000441392014 984226949 /nfs/dbraw/zinc/22/69/49/984226949.db2.gz ASASLRDFSPLGPZ-KXBFYZLASA-N 2 1 406.368 3.726 20 0 HHADMP C[C@H](NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C(C)(C)C[NH+](C)C ZINC000443234617 985455781 /nfs/dbraw/zinc/45/57/81/985455781.db2.gz APJCULLSCFALCU-RDPSFJRHSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443345284 985509480 /nfs/dbraw/zinc/50/94/80/985509480.db2.gz MOCUIBJQKDHHMT-FQEVSTJZSA-N 2 1 413.606 3.579 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443345284 985509487 /nfs/dbraw/zinc/50/94/87/985509487.db2.gz MOCUIBJQKDHHMT-FQEVSTJZSA-N 2 1 413.606 3.579 20 0 HHADMP C[C@H](NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000462714187 985660747 /nfs/dbraw/zinc/66/07/47/985660747.db2.gz DGBZWYRWDSMMQC-WIVXBSKCSA-N 2 1 420.601 3.717 20 0 HHADMP C[C@H](NC(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462714187 985660751 /nfs/dbraw/zinc/66/07/51/985660751.db2.gz DGBZWYRWDSMMQC-WIVXBSKCSA-N 2 1 420.601 3.717 20 0 HHADMP C[C@H](NC(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462714187 985660754 /nfs/dbraw/zinc/66/07/54/985660754.db2.gz DGBZWYRWDSMMQC-WIVXBSKCSA-N 2 1 420.601 3.717 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000462738872 985681542 /nfs/dbraw/zinc/68/15/42/985681542.db2.gz MAENWTQMGOLGRC-MZYLBHOOSA-N 2 1 400.611 3.803 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000462738872 985681548 /nfs/dbraw/zinc/68/15/48/985681548.db2.gz MAENWTQMGOLGRC-MZYLBHOOSA-N 2 1 400.611 3.803 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000462738872 985681555 /nfs/dbraw/zinc/68/15/55/985681555.db2.gz MAENWTQMGOLGRC-MZYLBHOOSA-N 2 1 400.611 3.803 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000462738874 985681795 /nfs/dbraw/zinc/68/17/95/985681795.db2.gz MAENWTQMGOLGRC-PUHATCMVSA-N 2 1 400.611 3.803 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000462738874 985681805 /nfs/dbraw/zinc/68/18/05/985681805.db2.gz MAENWTQMGOLGRC-PUHATCMVSA-N 2 1 400.611 3.803 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000462738874 985681811 /nfs/dbraw/zinc/68/18/11/985681811.db2.gz MAENWTQMGOLGRC-PUHATCMVSA-N 2 1 400.611 3.803 20 0 HHADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000462745899 985686884 /nfs/dbraw/zinc/68/68/84/985686884.db2.gz QVXQOFPVVZCCKT-QHCPKHFHSA-N 2 1 412.622 3.949 20 0 HHADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462748835 985689818 /nfs/dbraw/zinc/68/98/18/985689818.db2.gz FSVRESFFKVSXHG-RBBKRZOGSA-N 2 1 400.611 3.660 20 0 HHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC000462750039 985691530 /nfs/dbraw/zinc/69/15/30/985691530.db2.gz LQQHJSJVTZDQQI-RPWUZVMVSA-N 2 1 412.622 3.662 20 0 HHADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000462750039 985691541 /nfs/dbraw/zinc/69/15/41/985691541.db2.gz LQQHJSJVTZDQQI-RPWUZVMVSA-N 2 1 412.622 3.662 20 0 HHADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000462750039 985691547 /nfs/dbraw/zinc/69/15/47/985691547.db2.gz LQQHJSJVTZDQQI-RPWUZVMVSA-N 2 1 412.622 3.662 20 0 HHADMP CC(C)C[C@H]([NH2+][C@@H](C)c1csc(-c2ccccc2F)n1)C(=O)NCC[NH+](C)C ZINC000462812566 985742174 /nfs/dbraw/zinc/74/21/74/985742174.db2.gz HUROFLBYPOKOGX-YJBOKZPZSA-N 2 1 406.571 3.692 20 0 HHADMP COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c(OC)c1 ZINC000443602325 985778756 /nfs/dbraw/zinc/77/87/56/985778756.db2.gz IQZIQEOLIXIJMA-SFHVURJKSA-N 2 1 403.567 3.619 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000463016655 985972557 /nfs/dbraw/zinc/97/25/57/985972557.db2.gz UWVCITSAZHZCTC-RDPSFJRHSA-N 2 1 406.574 3.602 20 0 HHADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000463061239 986017986 /nfs/dbraw/zinc/01/79/86/986017986.db2.gz GNRJJLKBVCITHQ-NRFANRHFSA-N 2 1 400.611 3.805 20 0 HHADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000463061239 986017999 /nfs/dbraw/zinc/01/79/99/986017999.db2.gz GNRJJLKBVCITHQ-NRFANRHFSA-N 2 1 400.611 3.805 20 0 HHADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000463061239 986018010 /nfs/dbraw/zinc/01/80/10/986018010.db2.gz GNRJJLKBVCITHQ-NRFANRHFSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463082286 986040066 /nfs/dbraw/zinc/04/00/66/986040066.db2.gz BPUKUOGLTULKQB-HYBUGGRVSA-N 2 1 421.585 3.529 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463082286 986040075 /nfs/dbraw/zinc/04/00/75/986040075.db2.gz BPUKUOGLTULKQB-HYBUGGRVSA-N 2 1 421.585 3.529 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC000463104352 986065040 /nfs/dbraw/zinc/06/50/40/986065040.db2.gz HSTABCBIAVQCJY-DQEYMECFSA-N 2 1 405.586 3.750 20 0 HHADMP C[C@H]1C[C@@H]([NH2+]C2CCC(C(=O)N3CCSCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463121060 986084909 /nfs/dbraw/zinc/08/49/09/986084909.db2.gz YQCOJHHDAHNSFJ-OZRWQMGGSA-N 2 1 415.647 3.763 20 0 HHADMP C[C@H]1C[C@@H]([NH2+]C2CCC(C(=O)N3CCSCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463121060 986084923 /nfs/dbraw/zinc/08/49/23/986084923.db2.gz YQCOJHHDAHNSFJ-OZRWQMGGSA-N 2 1 415.647 3.763 20 0 HHADMP COc1ccc(Cn2nc(C)c(C[NH+]3CCC(Cc4[nH+]ccn4C)CC3)c2C)cc1 ZINC000468402104 986101400 /nfs/dbraw/zinc/10/14/00/986101400.db2.gz OAESNPCAFDOOKZ-UHFFFAOYSA-N 2 1 407.562 3.745 20 0 HHADMP CCC(CC)[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)N1CCOCC1 ZINC000463136442 986104335 /nfs/dbraw/zinc/10/43/35/986104335.db2.gz DYUZVKHCQFUQOE-XMMPIXPASA-N 2 1 405.602 3.559 20 0 HHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCc3nccn3Cc3ccccc3)CC2)cc1 ZINC000463137963 986105987 /nfs/dbraw/zinc/10/59/87/986105987.db2.gz BBCVXBDTABWDDM-UHFFFAOYSA-N 2 1 406.549 3.910 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463144627 986114030 /nfs/dbraw/zinc/11/40/30/986114030.db2.gz KWHIYVJPGYJFFW-RZFJZAQRSA-N 2 1 407.602 3.573 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000463144627 986114034 /nfs/dbraw/zinc/11/40/34/986114034.db2.gz KWHIYVJPGYJFFW-RZFJZAQRSA-N 2 1 407.602 3.573 20 0 HHADMP COc1cc(OC)c(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c(OC)c1 ZINC000463152604 986123339 /nfs/dbraw/zinc/12/33/39/986123339.db2.gz KPPURQHHFDGVOK-UHFFFAOYSA-N 2 1 416.537 3.691 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@H]2CCC[C@H]2c2ccccc2)c1 ZINC000468509752 986211112 /nfs/dbraw/zinc/21/11/12/986211112.db2.gz AWRWMIXXDUHAHS-ZEQRLZLVSA-N 2 1 407.558 3.773 20 0 HHADMP C[C@@H]1[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC(=O)N1Cc1ccccc1 ZINC000463247030 986216019 /nfs/dbraw/zinc/21/60/19/986216019.db2.gz SXNVBRZSUQRYSN-DVECYGJZSA-N 2 1 409.549 3.612 20 0 HHADMP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000444035247 986231868 /nfs/dbraw/zinc/23/18/68/986231868.db2.gz JCNBBZQLUPMVQO-PKOBYXMFSA-N 2 1 422.017 3.818 20 0 HHADMP Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463270703 986237291 /nfs/dbraw/zinc/23/72/91/986237291.db2.gz YZDMGQFWHAHGIU-ZMVGRULKSA-N 2 1 414.569 3.847 20 0 HHADMP Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463270703 986237303 /nfs/dbraw/zinc/23/73/03/986237303.db2.gz YZDMGQFWHAHGIU-ZMVGRULKSA-N 2 1 414.569 3.847 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000463272792 986240372 /nfs/dbraw/zinc/24/03/72/986240372.db2.gz UITXOFSDLUFHFI-OFVILXPXSA-N 2 1 420.601 3.813 20 0 HHADMP COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NC(=O)C1CC[NH+](C)CC1)CC2 ZINC000468700205 986413708 /nfs/dbraw/zinc/41/37/08/986413708.db2.gz PGEVYWHYMIFBFX-UHFFFAOYSA-N 2 1 423.557 3.542 20 0 HHADMP COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NC(=O)C1CC[NH+](C)CC1)CC2 ZINC000468700205 986413713 /nfs/dbraw/zinc/41/37/13/986413713.db2.gz PGEVYWHYMIFBFX-UHFFFAOYSA-N 2 1 423.557 3.542 20 0 HHADMP O=C(NC1CC[NH+](C2CC2)CC1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444346082 986528097 /nfs/dbraw/zinc/52/80/97/986528097.db2.gz RCJJOHOCCPQTJU-UHFFFAOYSA-N 2 1 410.606 3.844 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H](Oc3ccncc3)C2)C1 ZINC000468862271 986571646 /nfs/dbraw/zinc/57/16/46/986571646.db2.gz HJDVQLORGMMSJM-CVDCTZTESA-N 2 1 408.546 3.676 20 0 HHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3C(F)F)C2)CC1 ZINC000468910627 986617396 /nfs/dbraw/zinc/61/73/96/986617396.db2.gz IUDALYBGYLLNAP-KRWDZBQOSA-N 2 1 417.504 3.789 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)N2CCc3ccccc3C2)CC1 ZINC000444575421 986765851 /nfs/dbraw/zinc/76/58/51/986765851.db2.gz SPPRTXGEFIDMFC-UHFFFAOYSA-N 2 1 405.586 3.805 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)[NH+]1CCCCCC1 ZINC000469152278 986875958 /nfs/dbraw/zinc/87/59/58/986875958.db2.gz PTICSQQPLSYBRY-IBGZPJMESA-N 2 1 410.562 3.687 20 0 HHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000469425937 987114227 /nfs/dbraw/zinc/11/42/27/987114227.db2.gz IBWVYYQFANHGRT-XZOQPEGZSA-N 2 1 400.611 3.516 20 0 HHADMP O=C(NCC1CC[NH+](C2CC2)CC1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000444989393 987117667 /nfs/dbraw/zinc/11/76/67/987117667.db2.gz RWEYNONMJHNFLP-UPVQGACJSA-N 2 1 410.606 3.557 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NCCc1ccc(Cl)cc1 ZINC000469783322 987430044 /nfs/dbraw/zinc/43/00/44/987430044.db2.gz LYGPGLOTTPTXMI-OALUTQOASA-N 2 1 413.993 3.745 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCCO3)[C@H](C)C1 ZINC000469788835 987433689 /nfs/dbraw/zinc/43/36/89/987433689.db2.gz CEQKYUZXWDFLTE-YLJYHZDGSA-N 2 1 410.986 3.770 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2cc(F)cc(Br)c2)[C@H](C)C1 ZINC000469794038 987437522 /nfs/dbraw/zinc/43/75/22/987437522.db2.gz LQUJZDXSVNEFCC-BEFAXECRSA-N 2 1 417.363 3.694 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)CC1 ZINC000470004721 987617287 /nfs/dbraw/zinc/61/72/87/987617287.db2.gz ULLURXJVDSAYNU-IBGZPJMESA-N 2 1 411.512 3.738 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)C2(C)C)CC1 ZINC000470004721 987617290 /nfs/dbraw/zinc/61/72/90/987617290.db2.gz ULLURXJVDSAYNU-IBGZPJMESA-N 2 1 411.512 3.738 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1 ZINC000470067623 987963091 /nfs/dbraw/zinc/96/30/91/987963091.db2.gz SNQUHYCKWLBWGT-QFBILLFUSA-N 2 1 414.516 3.728 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)c1ccco1 ZINC000470154592 988064265 /nfs/dbraw/zinc/06/42/65/988064265.db2.gz IXSPWMQRYDEUAC-SJORKVTESA-N 2 1 412.456 3.503 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000470167872 988082396 /nfs/dbraw/zinc/08/23/96/988082396.db2.gz FNUBOIOGCCRSGR-XVLXNVKGSA-N 2 1 412.500 3.623 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C[C@H]1C ZINC000470278852 988233465 /nfs/dbraw/zinc/23/34/65/988233465.db2.gz HYSVVSMJJKJZDT-AYOQOUSVSA-N 2 1 414.516 3.822 20 0 HHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000470288079 988246046 /nfs/dbraw/zinc/24/60/46/988246046.db2.gz RSUOWORFSLYXLP-PKTZIBPZSA-N 2 1 400.611 3.803 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000470721054 988746768 /nfs/dbraw/zinc/74/67/68/988746768.db2.gz BDWZCJWPTSWYRZ-FGZHOGPDSA-N 2 1 412.578 3.969 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470743597 988782794 /nfs/dbraw/zinc/78/27/94/988782794.db2.gz CPDUMYKGEBUNSE-JTHBVZDNSA-N 2 1 400.611 3.947 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470743597 988782804 /nfs/dbraw/zinc/78/28/04/988782804.db2.gz CPDUMYKGEBUNSE-JTHBVZDNSA-N 2 1 400.611 3.947 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470743597 988782820 /nfs/dbraw/zinc/78/28/20/988782820.db2.gz CPDUMYKGEBUNSE-JTHBVZDNSA-N 2 1 400.611 3.947 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000470751256 988792505 /nfs/dbraw/zinc/79/25/05/988792505.db2.gz IWRWDLMRKGFVGG-FYYLOGMGSA-N 2 1 424.589 3.604 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000470751256 988792511 /nfs/dbraw/zinc/79/25/11/988792511.db2.gz IWRWDLMRKGFVGG-FYYLOGMGSA-N 2 1 424.589 3.604 20 0 HHADMP COc1ccccc1S(=O)(=O)CCC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000464679582 988881676 /nfs/dbraw/zinc/88/16/76/988881676.db2.gz JNIQOXXQWWXLFU-HXUWFJFHSA-N 2 1 422.635 3.836 20 0 HHADMP COc1ccccc1S(=O)(=O)CCC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000464679582 988881706 /nfs/dbraw/zinc/88/17/06/988881706.db2.gz JNIQOXXQWWXLFU-HXUWFJFHSA-N 2 1 422.635 3.836 20 0 HHADMP CCS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000464770204 988993420 /nfs/dbraw/zinc/99/34/20/988993420.db2.gz FQXIFGZWVGPEQK-YADHBBJMSA-N 2 1 403.636 3.682 20 0 HHADMP C/C=C\c1ccc(OC[C@@H](O)C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(OC)c1 ZINC000470993719 989059058 /nfs/dbraw/zinc/05/90/58/989059058.db2.gz LJLKDXQNDNRYJY-AUOBVQKKSA-N 2 1 422.569 3.532 20 0 HHADMP C/C=C\c1ccc(OC[C@@H](O)C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(OC)c1 ZINC000470993719 989059063 /nfs/dbraw/zinc/05/90/63/989059063.db2.gz LJLKDXQNDNRYJY-AUOBVQKKSA-N 2 1 422.569 3.532 20 0 HHADMP C/C=C\c1ccc(OC[C@@H](O)C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(OC)c1 ZINC000470993719 989059069 /nfs/dbraw/zinc/05/90/69/989059069.db2.gz LJLKDXQNDNRYJY-AUOBVQKKSA-N 2 1 422.569 3.532 20 0 HHADMP C/C=C\c1ccc(OC[C@@H](O)C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c(OC)c1 ZINC000470993719 989059075 /nfs/dbraw/zinc/05/90/75/989059075.db2.gz LJLKDXQNDNRYJY-AUOBVQKKSA-N 2 1 422.569 3.532 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000465018044 989337284 /nfs/dbraw/zinc/33/72/84/989337284.db2.gz ZAECHPBYZIEAFM-GHTZIAJQSA-N 2 1 407.002 3.754 20 0 HHADMP C[C@H](c1cc(F)ccc1F)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000471232337 989377115 /nfs/dbraw/zinc/37/71/15/989377115.db2.gz WGKVHYOZTQFIFJ-GOSISDBHSA-N 2 1 415.528 3.986 20 0 HHADMP CC1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000471298702 989460448 /nfs/dbraw/zinc/46/04/48/989460448.db2.gz SNWMGLVIIQYDMG-XMMPIXPASA-N 2 1 405.586 3.927 20 0 HHADMP C[C@H](C(=O)Nc1ccc(OCC[NH+]2CC[C@@H](C)C2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000465180526 989514638 /nfs/dbraw/zinc/51/46/38/989514638.db2.gz ADZUFLZTMHKGDU-WOJBJXKFSA-N 2 1 407.558 3.793 20 0 HHADMP C[C@H](C(=O)Nc1ccc(OCC[NH+]2CC[C@@H](C)C2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000465180526 989514648 /nfs/dbraw/zinc/51/46/48/989514648.db2.gz ADZUFLZTMHKGDU-WOJBJXKFSA-N 2 1 407.558 3.793 20 0 HHADMP C[C@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1)[NH+]1CCc2ccccc2C1 ZINC000465180526 989514655 /nfs/dbraw/zinc/51/46/55/989514655.db2.gz ADZUFLZTMHKGDU-WOJBJXKFSA-N 2 1 407.558 3.793 20 0 HHADMP C[C@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1)[NH+]1CCc2ccccc2C1 ZINC000465180526 989514665 /nfs/dbraw/zinc/51/46/65/989514665.db2.gz ADZUFLZTMHKGDU-WOJBJXKFSA-N 2 1 407.558 3.793 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000471353963 989521877 /nfs/dbraw/zinc/52/18/77/989521877.db2.gz PYHUUYXWWXUFQK-ACWUQQCTSA-N 2 1 405.586 3.708 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000471353963 989521887 /nfs/dbraw/zinc/52/18/87/989521887.db2.gz PYHUUYXWWXUFQK-ACWUQQCTSA-N 2 1 405.586 3.708 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000471353963 989521892 /nfs/dbraw/zinc/52/18/92/989521892.db2.gz PYHUUYXWWXUFQK-ACWUQQCTSA-N 2 1 405.586 3.708 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000471377698 989554830 /nfs/dbraw/zinc/55/48/30/989554830.db2.gz YCUKRTBFZUNBCV-ADGBJGEGSA-N 2 1 424.589 3.872 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000465393399 989743507 /nfs/dbraw/zinc/74/35/07/989743507.db2.gz CBQMQEYQJKMSGF-YMPZKCBVSA-N 2 1 400.611 3.659 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000465393399 989743513 /nfs/dbraw/zinc/74/35/13/989743513.db2.gz CBQMQEYQJKMSGF-YMPZKCBVSA-N 2 1 400.611 3.659 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000465393399 989743516 /nfs/dbraw/zinc/74/35/16/989743516.db2.gz CBQMQEYQJKMSGF-YMPZKCBVSA-N 2 1 400.611 3.659 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000465405782 989753013 /nfs/dbraw/zinc/75/30/13/989753013.db2.gz MGJGQJSSQIXTHC-XZOQPEGZSA-N 2 1 424.589 3.970 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000465419437 989764886 /nfs/dbraw/zinc/76/48/86/989764886.db2.gz FUFMKLCQWSDIFG-RPBOFIJWSA-N 2 1 422.617 3.713 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000465477590 989825333 /nfs/dbraw/zinc/82/53/33/989825333.db2.gz PAZHEDOUHRYCDA-RTWAWAEBSA-N 2 1 407.002 3.849 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000465523681 989876745 /nfs/dbraw/zinc/87/67/45/989876745.db2.gz LGHIIRGVSMOSBH-PZJWPPBQSA-N 2 1 400.592 3.514 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000465524058 989878590 /nfs/dbraw/zinc/87/85/90/989878590.db2.gz CYNPSSUXZVUDNX-FYYLOGMGSA-N 2 1 400.611 3.660 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1)Cc1ccccc1 ZINC000465540948 989903980 /nfs/dbraw/zinc/90/39/80/989903980.db2.gz KCQDGFHGGGRKLF-QHCPKHFHSA-N 2 1 423.605 3.611 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)C1 ZINC000465568381 989936114 /nfs/dbraw/zinc/93/61/14/989936114.db2.gz KJSGVEWUTAGXKW-LEWJYISDSA-N 2 1 400.611 3.934 20 0 HHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000465568381 989936121 /nfs/dbraw/zinc/93/61/21/989936121.db2.gz KJSGVEWUTAGXKW-LEWJYISDSA-N 2 1 400.611 3.934 20 0 HHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000465568381 989936126 /nfs/dbraw/zinc/93/61/26/989936126.db2.gz KJSGVEWUTAGXKW-LEWJYISDSA-N 2 1 400.611 3.934 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000465577573 989947792 /nfs/dbraw/zinc/94/77/92/989947792.db2.gz SXJBTANVILUGFB-OFNKIYASSA-N 2 1 400.611 3.934 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000465577573 989947802 /nfs/dbraw/zinc/94/78/02/989947802.db2.gz SXJBTANVILUGFB-OFNKIYASSA-N 2 1 400.611 3.934 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000465577573 989947812 /nfs/dbraw/zinc/94/78/12/989947812.db2.gz SXJBTANVILUGFB-OFNKIYASSA-N 2 1 400.611 3.934 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)C1 ZINC000465579939 989950287 /nfs/dbraw/zinc/95/02/87/989950287.db2.gz PRIWCIRJDAAZGJ-NZQKXSOJSA-N 2 1 400.611 3.792 20 0 HHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000465579939 989950294 /nfs/dbraw/zinc/95/02/94/989950294.db2.gz PRIWCIRJDAAZGJ-NZQKXSOJSA-N 2 1 400.611 3.792 20 0 HHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000465579939 989950299 /nfs/dbraw/zinc/95/02/99/989950299.db2.gz PRIWCIRJDAAZGJ-NZQKXSOJSA-N 2 1 400.611 3.792 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465593567 989972020 /nfs/dbraw/zinc/97/20/20/989972020.db2.gz GKWUPKNBIUOTSI-GMAHTHKFSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000465593567 989972027 /nfs/dbraw/zinc/97/20/27/989972027.db2.gz GKWUPKNBIUOTSI-GMAHTHKFSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000465593567 989972035 /nfs/dbraw/zinc/97/20/35/989972035.db2.gz GKWUPKNBIUOTSI-GMAHTHKFSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1 ZINC000465611557 989996747 /nfs/dbraw/zinc/99/67/47/989996747.db2.gz VPLDRZOSUHFDOU-FGZHOGPDSA-N 2 1 400.611 3.947 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000465611557 989996753 /nfs/dbraw/zinc/99/67/53/989996753.db2.gz VPLDRZOSUHFDOU-FGZHOGPDSA-N 2 1 400.611 3.947 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000465611557 989996760 /nfs/dbraw/zinc/99/67/60/989996760.db2.gz VPLDRZOSUHFDOU-FGZHOGPDSA-N 2 1 400.611 3.947 20 0 HHADMP C[C@@H]1CCN(C(=O)NCCC[N@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000465616445 990002392 /nfs/dbraw/zinc/00/23/92/990002392.db2.gz SKUANBAGRAZZDB-JOCHJYFZSA-N 2 1 408.590 3.815 20 0 HHADMP C[C@@H]1CCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000465616445 990002399 /nfs/dbraw/zinc/00/23/99/990002399.db2.gz SKUANBAGRAZZDB-JOCHJYFZSA-N 2 1 408.590 3.815 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000465633274 990019644 /nfs/dbraw/zinc/01/96/44/990019644.db2.gz PUKJXYAWVWSOBJ-DEOSSOPVSA-N 2 1 408.590 3.802 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000465678634 990063968 /nfs/dbraw/zinc/06/39/68/990063968.db2.gz CHQVVULRQZMIOH-NFBKMPQASA-N 2 1 412.553 3.592 20 0 HHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000471916560 990083582 /nfs/dbraw/zinc/08/35/82/990083582.db2.gz WYQPDPQAZRTXAE-IFMALSPDSA-N 2 1 408.590 3.937 20 0 HHADMP C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000465700455 990086668 /nfs/dbraw/zinc/08/66/68/990086668.db2.gz YGIFPGBONAUUQT-AUSIDOKSSA-N 2 1 412.553 3.734 20 0 HHADMP C[C@@H]1CCC[C@](CNC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)([NH+](C)C)C1 ZINC000465724763 990110301 /nfs/dbraw/zinc/11/03/01/990110301.db2.gz NZLLDKUGJTYJQT-SFLYRZDNSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465757288 990143526 /nfs/dbraw/zinc/14/35/26/990143526.db2.gz OLBHPYFYDNSDLM-IFMALSPDSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465757288 990143531 /nfs/dbraw/zinc/14/35/31/990143531.db2.gz OLBHPYFYDNSDLM-IFMALSPDSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465757288 990143534 /nfs/dbraw/zinc/14/35/34/990143534.db2.gz OLBHPYFYDNSDLM-IFMALSPDSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000465760140 990145696 /nfs/dbraw/zinc/14/56/96/990145696.db2.gz SNSSOKRQWYKMOF-WSTZPKSXSA-N 2 1 406.640 3.941 20 0 HHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000465760140 990145698 /nfs/dbraw/zinc/14/56/98/990145698.db2.gz SNSSOKRQWYKMOF-WSTZPKSXSA-N 2 1 406.640 3.941 20 0 HHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000465760140 990145700 /nfs/dbraw/zinc/14/57/00/990145700.db2.gz SNSSOKRQWYKMOF-WSTZPKSXSA-N 2 1 406.640 3.941 20 0 HHADMP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[NH+](C)Cc1ccccc1 ZINC000465876943 990992996 /nfs/dbraw/zinc/99/29/96/990992996.db2.gz MKYLQSAOZDBVGB-KAGYGMCKSA-N 2 1 414.619 3.951 20 0 HHADMP C[C@H](CNC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1)[N@H+](C)Cc1ccccc1 ZINC000465876943 990993010 /nfs/dbraw/zinc/99/30/10/990993010.db2.gz MKYLQSAOZDBVGB-KAGYGMCKSA-N 2 1 414.619 3.951 20 0 HHADMP C[C@H](CNC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1)[N@@H+](C)Cc1ccccc1 ZINC000465876943 990993018 /nfs/dbraw/zinc/99/30/18/990993018.db2.gz MKYLQSAOZDBVGB-KAGYGMCKSA-N 2 1 414.619 3.951 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000465888364 991012258 /nfs/dbraw/zinc/01/22/58/991012258.db2.gz CXBPDLFRDUZDJR-VXKWHMMOSA-N 2 1 404.574 3.724 20 0 HHADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C1 ZINC000465896418 991022661 /nfs/dbraw/zinc/02/26/61/991022661.db2.gz UTQZXIAWHFTDFK-FQEVSTJZSA-N 2 1 412.578 3.831 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C1 ZINC000465896418 991022668 /nfs/dbraw/zinc/02/26/68/991022668.db2.gz UTQZXIAWHFTDFK-FQEVSTJZSA-N 2 1 412.578 3.831 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C1 ZINC000465896418 991022679 /nfs/dbraw/zinc/02/26/79/991022679.db2.gz UTQZXIAWHFTDFK-FQEVSTJZSA-N 2 1 412.578 3.831 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000465896418 991022689 /nfs/dbraw/zinc/02/26/89/991022689.db2.gz UTQZXIAWHFTDFK-FQEVSTJZSA-N 2 1 412.578 3.831 20 0 HHADMP C[C@H]1C[C@H](N(C)C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC[N@H+]1C ZINC000465913945 991045210 /nfs/dbraw/zinc/04/52/10/991045210.db2.gz YNDHWCWLTFMXRD-FXAWDEMLSA-N 2 1 407.002 3.676 20 0 HHADMP C[C@@H]1CCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000466022650 991191034 /nfs/dbraw/zinc/19/10/34/991191034.db2.gz OMQVUFGGFSCNFP-LJQANCHMSA-N 2 1 412.553 3.693 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)[C@@H]1c1cccs1 ZINC000466079042 991254469 /nfs/dbraw/zinc/25/44/69/991254469.db2.gz OHUJHMBPZSHIGI-SVFBPWRDSA-N 2 1 404.624 3.791 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000466079417 991254804 /nfs/dbraw/zinc/25/48/04/991254804.db2.gz OWXHAXHIBKJWBA-TZIWHRDSSA-N 2 1 406.640 3.894 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@@H]1c1cccs1 ZINC000466092817 991271956 /nfs/dbraw/zinc/27/19/56/991271956.db2.gz BDXMGADONLTMPP-TZIWHRDSSA-N 2 1 404.624 3.648 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C[N@H+]1Cc1ccccc1 ZINC000466248275 991484205 /nfs/dbraw/zinc/48/42/05/991484205.db2.gz KTEOOYDVXWWQKA-NQHRYMMQSA-N 2 1 420.601 3.513 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C[NH+]1Cc1ccccc1 ZINC000466248275 991484215 /nfs/dbraw/zinc/48/42/15/991484215.db2.gz KTEOOYDVXWWQKA-NQHRYMMQSA-N 2 1 420.601 3.513 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C[NH+]1Cc1ccccc1 ZINC000466248275 991484224 /nfs/dbraw/zinc/48/42/24/991484224.db2.gz KTEOOYDVXWWQKA-NQHRYMMQSA-N 2 1 420.601 3.513 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000466437288 991725878 /nfs/dbraw/zinc/72/58/78/991725878.db2.gz AEWVOCQNRBJSFX-GBXCKJPGSA-N 2 1 406.574 3.745 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000466797706 992104428 /nfs/dbraw/zinc/10/44/28/992104428.db2.gz XICPTBNSZRPYIN-YKSBVNFPSA-N 2 1 408.590 3.501 20 0 HHADMP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466934493 992245743 /nfs/dbraw/zinc/24/57/43/992245743.db2.gz PJJGVQWAMBBVKG-INIZCTEOSA-N 2 1 413.484 3.609 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000467083143 992388772 /nfs/dbraw/zinc/38/87/72/992388772.db2.gz GLLBFVJPSCIRRX-NRFANRHFSA-N 2 1 414.638 3.977 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)NCc2ccc(CC[NH+](C)C)cc2)C[N@H+]1Cc1ccccc1 ZINC000467089121 992394787 /nfs/dbraw/zinc/39/47/87/992394787.db2.gz CDCCVLITFFGNTR-BWKNWUBXSA-N 2 1 422.617 3.891 20 0 HHADMP C[NH+](C)Cc1ccc(NC2CC[NH+](Cc3cccnc3)CC2)cc1Br ZINC000467384713 992699905 /nfs/dbraw/zinc/69/99/05/992699905.db2.gz XXASQIDKEUJRFX-UHFFFAOYSA-N 2 1 403.368 3.982 20 0 HHADMP C[C@H](CCNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)[N@H+](C)Cc1ccccc1 ZINC000472712272 993636077 /nfs/dbraw/zinc/63/60/77/993636077.db2.gz ZLRHWJOMTLYEPU-OAQYLSRUSA-N 2 1 424.589 3.593 20 0 HHADMP C[C@H](CCNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000472712272 993636085 /nfs/dbraw/zinc/63/60/85/993636085.db2.gz ZLRHWJOMTLYEPU-OAQYLSRUSA-N 2 1 424.589 3.593 20 0 HHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000480783057 993650470 /nfs/dbraw/zinc/65/04/70/993650470.db2.gz YJEOKFGLVDHRAB-GJZUVCINSA-N 2 1 417.601 3.961 20 0 HHADMP COc1cc(F)c([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1OC ZINC000480797802 993667078 /nfs/dbraw/zinc/66/70/78/993667078.db2.gz RNHOMIFEZLSWMK-XMSQKQJNSA-N 2 1 415.553 3.872 20 0 HHADMP Cc1cccc(C[C@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C2CC2)c1 ZINC000480880202 993744057 /nfs/dbraw/zinc/74/40/57/993744057.db2.gz OXSPNKLXNAIOPJ-VWLOTQADSA-N 2 1 421.585 3.767 20 0 HHADMP C[C@H]1[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000481024405 993868026 /nfs/dbraw/zinc/86/80/26/993868026.db2.gz YNAAXNGRXNRNNN-CYFREDJKSA-N 2 1 424.564 3.752 20 0 HHADMP CCCOc1ccc(CNC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481168238 993999004 /nfs/dbraw/zinc/99/90/04/993999004.db2.gz DDIKDMUIGWQYEZ-HYBUGGRVSA-N 2 1 409.574 3.592 20 0 HHADMP CCCOc1ccc(CNC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481168238 993999013 /nfs/dbraw/zinc/99/90/13/993999013.db2.gz DDIKDMUIGWQYEZ-HYBUGGRVSA-N 2 1 409.574 3.592 20 0 HHADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481169752 994001035 /nfs/dbraw/zinc/00/10/35/994001035.db2.gz FQQVUSHWARUHAD-DWLFOUALSA-N 2 1 402.966 3.888 20 0 HHADMP CC(C)OCc1ccc(CNC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481182287 994012237 /nfs/dbraw/zinc/01/22/37/994012237.db2.gz XRQLAEXAQFAIJE-PXDATVDWSA-N 2 1 423.601 3.728 20 0 HHADMP CC(C)OCc1ccc(CNC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481182287 994012252 /nfs/dbraw/zinc/01/22/52/994012252.db2.gz XRQLAEXAQFAIJE-PXDATVDWSA-N 2 1 423.601 3.728 20 0 HHADMP COc1ccc([C@H](NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C2CC2)cc1 ZINC000481196419 994029980 /nfs/dbraw/zinc/02/99/80/994029980.db2.gz ZBZZBZXPDQHOSW-GJQIQAERSA-N 2 1 421.585 3.763 20 0 HHADMP COc1ccc([C@H](NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C2CC2)cc1 ZINC000481196419 994029989 /nfs/dbraw/zinc/02/99/89/994029989.db2.gz ZBZZBZXPDQHOSW-GJQIQAERSA-N 2 1 421.585 3.763 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000481198585 994032472 /nfs/dbraw/zinc/03/24/72/994032472.db2.gz OHBGMOOMEIAPKW-NVQXNPDNSA-N 2 1 419.613 3.968 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000481198585 994032483 /nfs/dbraw/zinc/03/24/83/994032483.db2.gz OHBGMOOMEIAPKW-NVQXNPDNSA-N 2 1 419.613 3.968 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000481198588 994032585 /nfs/dbraw/zinc/03/25/85/994032585.db2.gz OIJNYVVUMWBPCD-WMZHIEFXSA-N 2 1 416.569 3.553 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000481198588 994032596 /nfs/dbraw/zinc/03/25/96/994032596.db2.gz OIJNYVVUMWBPCD-WMZHIEFXSA-N 2 1 416.569 3.553 20 0 HHADMP C[C@H](NCc1cccnc1N1CCN(C)CC1)c1ccc(F)cc1Br ZINC000481207276 994040210 /nfs/dbraw/zinc/04/02/10/994040210.db2.gz JJQVOFNHSQCJSP-AWEZNQCLSA-N 2 1 407.331 3.586 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1F ZINC000481539748 994370826 /nfs/dbraw/zinc/37/08/26/994370826.db2.gz YLJVHPFHDAJWFN-CQSZACIVSA-N 2 1 402.495 3.542 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cccc(N2CCCC2=O)c1 ZINC000481540580 994372361 /nfs/dbraw/zinc/37/23/61/994372361.db2.gz GDLITFFVYDBPBJ-WOJBJXKFSA-N 2 1 407.558 3.885 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cccc(N2CCCC2=O)c1 ZINC000481540580 994372384 /nfs/dbraw/zinc/37/23/84/994372384.db2.gz GDLITFFVYDBPBJ-WOJBJXKFSA-N 2 1 407.558 3.885 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(c3cc(C)ccc3OC)CCOCC2)[C@H](C)C1 ZINC000481584488 994427221 /nfs/dbraw/zinc/42/72/21/994427221.db2.gz TVODICDFGYITSG-GGAORHGYSA-N 2 1 418.622 3.778 20 0 HHADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481915205 994786883 /nfs/dbraw/zinc/78/68/83/994786883.db2.gz LMQSJINTAFCPMI-LPHOPBHVSA-N 2 1 416.031 3.801 20 0 HHADMP COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cccc(C[NH+](C)C)c3)CC[N@H+]2C2CC2)c1 ZINC000481924370 994796334 /nfs/dbraw/zinc/79/63/34/994796334.db2.gz PLEXERXCFTYFSM-XZOQPEGZSA-N 2 1 408.546 3.856 20 0 HHADMP CCN(C(=O)NCCC1CC[NH+](CC)CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000474027651 995019353 /nfs/dbraw/zinc/01/93/53/995019353.db2.gz JJKCZYMYLVLEJM-REWPJTCUSA-N 2 1 400.611 3.975 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)NC2CC([NH+]3CCCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474557004 995521908 /nfs/dbraw/zinc/52/19/08/995521908.db2.gz JZAHXLXZJGBXMV-FRVUEHSBSA-N 2 1 422.976 3.788 20 0 HHADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000482587137 995589946 /nfs/dbraw/zinc/58/99/46/995589946.db2.gz XLCYJDGIHWOMAF-AKFKNWHVSA-N 2 1 410.606 3.699 20 0 HHADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482587137 995589958 /nfs/dbraw/zinc/58/99/58/995589958.db2.gz XLCYJDGIHWOMAF-AKFKNWHVSA-N 2 1 410.606 3.699 20 0 HHADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482587137 995589966 /nfs/dbraw/zinc/58/99/66/995589966.db2.gz XLCYJDGIHWOMAF-AKFKNWHVSA-N 2 1 410.606 3.699 20 0 HHADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000482633335 995627159 /nfs/dbraw/zinc/62/71/59/995627159.db2.gz QHTHYRFSUVYDTR-LADGPHEKSA-N 2 1 411.565 3.880 20 0 HHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000474821634 995727452 /nfs/dbraw/zinc/72/74/52/995727452.db2.gz KWBAGQHBWIWRBA-NWSQWKLXSA-N 2 1 401.570 3.903 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000474821634 995727455 /nfs/dbraw/zinc/72/74/55/995727455.db2.gz KWBAGQHBWIWRBA-NWSQWKLXSA-N 2 1 401.570 3.903 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000474821634 995727462 /nfs/dbraw/zinc/72/74/62/995727462.db2.gz KWBAGQHBWIWRBA-NWSQWKLXSA-N 2 1 401.570 3.903 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000474821634 995727469 /nfs/dbraw/zinc/72/74/69/995727469.db2.gz KWBAGQHBWIWRBA-NWSQWKLXSA-N 2 1 401.570 3.903 20 0 HHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000474821635 995727633 /nfs/dbraw/zinc/72/76/33/995727633.db2.gz KWBAGQHBWIWRBA-UNWVZKJWSA-N 2 1 401.570 3.903 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000474821635 995727640 /nfs/dbraw/zinc/72/76/40/995727640.db2.gz KWBAGQHBWIWRBA-UNWVZKJWSA-N 2 1 401.570 3.903 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000474821635 995727648 /nfs/dbraw/zinc/72/76/48/995727648.db2.gz KWBAGQHBWIWRBA-UNWVZKJWSA-N 2 1 401.570 3.903 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000474821635 995727654 /nfs/dbraw/zinc/72/76/54/995727654.db2.gz KWBAGQHBWIWRBA-UNWVZKJWSA-N 2 1 401.570 3.903 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(Cc3c(F)cccc3F)C2)[C@H](C)C1 ZINC000482887874 995819351 /nfs/dbraw/zinc/81/93/51/995819351.db2.gz LHVMTGPFMWAHPP-MSYCTHLASA-N 2 1 409.565 3.656 20 0 HHADMP CCN(C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475001699 995857896 /nfs/dbraw/zinc/85/78/96/995857896.db2.gz XJBGQPFJKXNNEJ-JOCHJYFZSA-N 2 1 410.562 3.755 20 0 HHADMP CC[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000475138407 995947377 /nfs/dbraw/zinc/94/73/77/995947377.db2.gz KQSNZQKETFPKCI-HSZRJFAPSA-N 2 1 412.622 3.920 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)c1ccccc1 ZINC000475158707 995960171 /nfs/dbraw/zinc/96/01/71/995960171.db2.gz ZPZPNRWMNBDVFQ-OALUTQOASA-N 2 1 411.443 3.828 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000483125101 995990636 /nfs/dbraw/zinc/99/06/36/995990636.db2.gz RHIIIDGVLCXHAX-QFIPXVFZSA-N 2 1 409.549 3.704 20 0 HHADMP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000475224630 996007960 /nfs/dbraw/zinc/00/79/60/996007960.db2.gz OOFSBVIFKWIGLL-ICSRJNTNSA-N 2 1 411.546 3.533 20 0 HHADMP COc1c[nH+]ccc1N1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000483215759 996042275 /nfs/dbraw/zinc/04/22/75/996042275.db2.gz RTGXIRUIPXXACV-UHFFFAOYSA-N 2 1 409.317 3.548 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475290195 996048086 /nfs/dbraw/zinc/04/80/86/996048086.db2.gz GTVQBWGWKBPHMX-SDUSCBPUSA-N 2 1 420.601 3.813 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475290195 996048095 /nfs/dbraw/zinc/04/80/95/996048095.db2.gz GTVQBWGWKBPHMX-SDUSCBPUSA-N 2 1 420.601 3.813 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475290195 996048104 /nfs/dbraw/zinc/04/81/04/996048104.db2.gz GTVQBWGWKBPHMX-SDUSCBPUSA-N 2 1 420.601 3.813 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(C)[C@@H]3CC[NH+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000475313120 996063219 /nfs/dbraw/zinc/06/32/19/996063219.db2.gz OTXTWCJPPONQJR-TYBLODHISA-N 2 1 421.585 3.642 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(C)[C@@H]3CC[NH+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000475313120 996063225 /nfs/dbraw/zinc/06/32/25/996063225.db2.gz OTXTWCJPPONQJR-TYBLODHISA-N 2 1 421.585 3.642 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N(C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000475313120 996063232 /nfs/dbraw/zinc/06/32/32/996063232.db2.gz OTXTWCJPPONQJR-TYBLODHISA-N 2 1 421.585 3.642 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000475313120 996063237 /nfs/dbraw/zinc/06/32/37/996063237.db2.gz OTXTWCJPPONQJR-TYBLODHISA-N 2 1 421.585 3.642 20 0 HHADMP CS[C@@H]1CN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[C@H]1[NH+]1CCCC1 ZINC000483396392 996149619 /nfs/dbraw/zinc/14/96/19/996149619.db2.gz PTTSQKFPNZMBSJ-HMXCVIKNSA-N 2 1 416.635 3.531 20 0 HHADMP O=C(CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)Nc1ccc2c(c1)OCO2 ZINC000483462853 996196211 /nfs/dbraw/zinc/19/62/11/996196211.db2.gz BALXCVUHDGDPNC-UNMCSNQZSA-N 2 1 421.541 3.730 20 0 HHADMP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)Nc1ccc2c(c1)OCO2 ZINC000483462853 996196214 /nfs/dbraw/zinc/19/62/14/996196214.db2.gz BALXCVUHDGDPNC-UNMCSNQZSA-N 2 1 421.541 3.730 20 0 HHADMP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)Nc1ccc2c(c1)OCO2 ZINC000483462853 996196218 /nfs/dbraw/zinc/19/62/18/996196218.db2.gz BALXCVUHDGDPNC-UNMCSNQZSA-N 2 1 421.541 3.730 20 0 HHADMP O=C(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)Nc1ccc2c(c1)OCO2 ZINC000483462850 996196276 /nfs/dbraw/zinc/19/62/76/996196276.db2.gz BALXCVUHDGDPNC-IFMALSPDSA-N 2 1 421.541 3.730 20 0 HHADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)Nc1ccc2c(c1)OCO2 ZINC000483462850 996196280 /nfs/dbraw/zinc/19/62/80/996196280.db2.gz BALXCVUHDGDPNC-IFMALSPDSA-N 2 1 421.541 3.730 20 0 HHADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)Nc1ccc2c(c1)OCO2 ZINC000483462850 996196284 /nfs/dbraw/zinc/19/62/84/996196284.db2.gz BALXCVUHDGDPNC-IFMALSPDSA-N 2 1 421.541 3.730 20 0 HHADMP O=C(CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)Nc1ccc2c(c1)OCO2 ZINC000483462851 996196426 /nfs/dbraw/zinc/19/64/26/996196426.db2.gz BALXCVUHDGDPNC-IRLDBZIGSA-N 2 1 421.541 3.730 20 0 HHADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)Nc1ccc2c(c1)OCO2 ZINC000483462851 996196428 /nfs/dbraw/zinc/19/64/28/996196428.db2.gz BALXCVUHDGDPNC-IRLDBZIGSA-N 2 1 421.541 3.730 20 0 HHADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)Nc1ccc2c(c1)OCO2 ZINC000483462851 996196430 /nfs/dbraw/zinc/19/64/30/996196430.db2.gz BALXCVUHDGDPNC-IRLDBZIGSA-N 2 1 421.541 3.730 20 0 HHADMP COc1cccc(COC[C@H](O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000483487563 996213004 /nfs/dbraw/zinc/21/30/04/996213004.db2.gz RBEHGXAJANQRHR-DGWZTRNLSA-N 2 1 424.585 3.559 20 0 HHADMP COc1cccc(COC[C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000483487563 996213009 /nfs/dbraw/zinc/21/30/09/996213009.db2.gz RBEHGXAJANQRHR-DGWZTRNLSA-N 2 1 424.585 3.559 20 0 HHADMP COc1cccc(COC[C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000483487563 996213019 /nfs/dbraw/zinc/21/30/19/996213019.db2.gz RBEHGXAJANQRHR-DGWZTRNLSA-N 2 1 424.585 3.559 20 0 HHADMP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483568978 996256708 /nfs/dbraw/zinc/25/67/08/996256708.db2.gz SCXKQQWIOPKJTN-UPVQGACJSA-N 2 1 421.585 3.754 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000483614287 996286528 /nfs/dbraw/zinc/28/65/28/996286528.db2.gz IUFWGMQTRGSCCK-GMAHTHKFSA-N 2 1 400.611 3.805 20 0 HHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000483729257 996353456 /nfs/dbraw/zinc/35/34/56/996353456.db2.gz OYJDREOYJORTCK-AWEZNQCLSA-N 2 1 417.355 3.974 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000483746028 996362743 /nfs/dbraw/zinc/36/27/43/996362743.db2.gz SIOFRUSWNZQYRZ-FIKGOQFSSA-N 2 1 404.551 3.790 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000483746028 996362750 /nfs/dbraw/zinc/36/27/50/996362750.db2.gz SIOFRUSWNZQYRZ-FIKGOQFSSA-N 2 1 404.551 3.790 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCOc3ccc(I)cc32)CC[N@@H+]1C ZINC000483748923 996363668 /nfs/dbraw/zinc/36/36/68/996363668.db2.gz RTGPVXQXPNWFAE-XPKDYRNWSA-N 2 1 400.304 3.577 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCOc3ccc(I)cc32)CC[N@H+]1C ZINC000483748923 996363670 /nfs/dbraw/zinc/36/36/70/996363670.db2.gz RTGPVXQXPNWFAE-XPKDYRNWSA-N 2 1 400.304 3.577 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000483829225 996413783 /nfs/dbraw/zinc/41/37/83/996413783.db2.gz LGTWISPOUVEMDY-HXUWFJFHSA-N 2 1 410.672 3.549 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccc(Br)cc2)[C@@H](C)C1 ZINC000483834890 996417051 /nfs/dbraw/zinc/41/70/51/996417051.db2.gz KWJNCKUAQHBDOD-ZWOKBUDYSA-N 2 1 413.400 3.943 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000475891053 996448262 /nfs/dbraw/zinc/44/82/62/996448262.db2.gz FRIPJCJINONQAX-XMSQKQJNSA-N 2 1 411.594 3.600 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000475891053 996448267 /nfs/dbraw/zinc/44/82/67/996448267.db2.gz FRIPJCJINONQAX-XMSQKQJNSA-N 2 1 411.594 3.600 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000483990275 996509118 /nfs/dbraw/zinc/50/91/18/996509118.db2.gz XBXSBQJGLHYUNT-UHFFFAOYSA-N 2 1 412.622 3.947 20 0 HHADMP O[C@]1(C[NH2+][C@@H]2CCc3cc(Br)ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000484134982 996590320 /nfs/dbraw/zinc/59/03/20/996590320.db2.gz AQRYETVRODBQME-RTWAWAEBSA-N 2 1 401.348 3.663 20 0 HHADMP O[C@]1(C[NH2+][C@@H]2CCc3cc(Br)ccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000484134982 996590323 /nfs/dbraw/zinc/59/03/23/996590323.db2.gz AQRYETVRODBQME-RTWAWAEBSA-N 2 1 401.348 3.663 20 0 HHADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000484341016 996714442 /nfs/dbraw/zinc/71/44/42/996714442.db2.gz ICWDLUIVQLRVGB-NZSAHSFTSA-N 2 1 411.512 3.676 20 0 HHADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000484341016 996714459 /nfs/dbraw/zinc/71/44/59/996714459.db2.gz ICWDLUIVQLRVGB-NZSAHSFTSA-N 2 1 411.512 3.676 20 0 HHADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000484341016 996714480 /nfs/dbraw/zinc/71/44/80/996714480.db2.gz ICWDLUIVQLRVGB-NZSAHSFTSA-N 2 1 411.512 3.676 20 0 HHADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000484341016 996714484 /nfs/dbraw/zinc/71/44/84/996714484.db2.gz ICWDLUIVQLRVGB-NZSAHSFTSA-N 2 1 411.512 3.676 20 0 HHADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1S(C)(=O)=O ZINC000484476033 996796132 /nfs/dbraw/zinc/79/61/32/996796132.db2.gz UPXWRYQOEMAMNH-WFXMLNOXSA-N 2 1 416.587 3.660 20 0 HHADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1S(C)(=O)=O ZINC000484476033 996796140 /nfs/dbraw/zinc/79/61/40/996796140.db2.gz UPXWRYQOEMAMNH-WFXMLNOXSA-N 2 1 416.587 3.660 20 0 HHADMP C[C@@H](CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000476681970 997221432 /nfs/dbraw/zinc/22/14/32/997221432.db2.gz RMPKETKHVIOQIG-UWJYYQICSA-N 2 1 402.970 3.762 20 0 HHADMP C[C@@H](CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000476681970 997221442 /nfs/dbraw/zinc/22/14/42/997221442.db2.gz RMPKETKHVIOQIG-UWJYYQICSA-N 2 1 402.970 3.762 20 0 HHADMP Cc1cccc(C)c1NC(=O)CCC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000485097707 997474296 /nfs/dbraw/zinc/47/42/96/997474296.db2.gz YVOLXTWAQXKDAS-OYRHEFFESA-N 2 1 401.595 3.843 20 0 HHADMP COc1ccccc1CN(C)C(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476970223 997588338 /nfs/dbraw/zinc/58/83/38/997588338.db2.gz HPFJQQOUZZLPNC-FQEVSTJZSA-N 2 1 401.595 3.630 20 0 HHADMP COc1ccccc1[C@@H](C)NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476972127 997591914 /nfs/dbraw/zinc/59/19/14/997591914.db2.gz KLYDQHIQKWLLCJ-WOJBJXKFSA-N 2 1 401.595 3.849 20 0 HHADMP COc1ccccc1[C@@H](C)NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476972127 997591923 /nfs/dbraw/zinc/59/19/23/997591923.db2.gz KLYDQHIQKWLLCJ-WOJBJXKFSA-N 2 1 401.595 3.849 20 0 HHADMP C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476983142 997605649 /nfs/dbraw/zinc/60/56/49/997605649.db2.gz KNKCHTVWUSLBNN-ZRCGQRJVSA-N 2 1 413.606 3.991 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cc2)C1 ZINC000485292013 997694106 /nfs/dbraw/zinc/69/41/06/997694106.db2.gz RQJQZFOYMGOVMN-KZTDQWPFSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cc2)C1 ZINC000485292013 997694115 /nfs/dbraw/zinc/69/41/15/997694115.db2.gz RQJQZFOYMGOVMN-KZTDQWPFSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cc2)C1 ZINC000485292013 997694121 /nfs/dbraw/zinc/69/41/21/997694121.db2.gz RQJQZFOYMGOVMN-KZTDQWPFSA-N 2 1 412.622 3.790 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)NCc3ccc(C[NH+]4CCC(C)CC4)cc3)CC2)c1 ZINC000485304156 997711019 /nfs/dbraw/zinc/71/10/19/997711019.db2.gz HDMIWOUOOGFDRU-UHFFFAOYSA-N 2 1 421.589 3.654 20 0 HHADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000485397709 997826773 /nfs/dbraw/zinc/82/67/73/997826773.db2.gz BHUQNQDVNQAAPV-WZONZLPQSA-N 2 1 418.528 3.705 20 0 HHADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000485397709 997826783 /nfs/dbraw/zinc/82/67/83/997826783.db2.gz BHUQNQDVNQAAPV-WZONZLPQSA-N 2 1 418.528 3.705 20 0 HHADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000485397709 997826812 /nfs/dbraw/zinc/82/68/12/997826812.db2.gz BHUQNQDVNQAAPV-WZONZLPQSA-N 2 1 418.528 3.705 20 0 HHADMP C[C@@H](NC(=O)NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000485399169 997828754 /nfs/dbraw/zinc/82/87/54/997828754.db2.gz FZBFZFFPJBXAFO-QPPBQGQZSA-N 2 1 420.601 3.645 20 0 HHADMP C[C@@H](NC(=O)NCCC[NH+]1CCc2ccccc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485399169 997828761 /nfs/dbraw/zinc/82/87/61/997828761.db2.gz FZBFZFFPJBXAFO-QPPBQGQZSA-N 2 1 420.601 3.645 20 0 HHADMP C[C@@H](NC(=O)NCCC[NH+]1CCc2ccccc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485399169 997828773 /nfs/dbraw/zinc/82/87/73/997828773.db2.gz FZBFZFFPJBXAFO-QPPBQGQZSA-N 2 1 420.601 3.645 20 0 HHADMP CCOc1ccccc1NC(=O)CC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000485410177 997842833 /nfs/dbraw/zinc/84/28/33/997842833.db2.gz STIOIJGEFOKHCT-BGYRXZFFSA-N 2 1 417.594 3.625 20 0 HHADMP O[C@@H](COCc1cccs1)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485482259 997934901 /nfs/dbraw/zinc/93/49/01/997934901.db2.gz SCSSUXBWJUKUKD-OAQYLSRUSA-N 2 1 400.588 3.614 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000485486406 997939039 /nfs/dbraw/zinc/93/90/39/997939039.db2.gz CKAHXRPJYZHPIA-ZEQRLZLVSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000477377465 998065213 /nfs/dbraw/zinc/06/52/13/998065213.db2.gz GZZURWNSSVKMJC-GGAORHGYSA-N 2 1 400.611 3.660 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](C3CCCCC3)CC2)[C@H]1c1cccs1 ZINC000486111580 998558930 /nfs/dbraw/zinc/55/89/30/998558930.db2.gz RSJFWCVVKHAISS-NQIIRXRSSA-N 2 1 404.624 3.791 20 0 HHADMP CC(C)C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000486214195 998651653 /nfs/dbraw/zinc/65/16/53/998651653.db2.gz LKOFRUGOACVGIN-JMJGKCIBSA-N 2 1 400.611 3.878 20 0 HHADMP C[C@@H](NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486300520 998702009 /nfs/dbraw/zinc/70/20/09/998702009.db2.gz TXUTVTMWJREHBU-JTOYRKQZSA-N 2 1 414.638 3.954 20 0 HHADMP C[C@@H](NC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486300520 998702016 /nfs/dbraw/zinc/70/20/16/998702016.db2.gz TXUTVTMWJREHBU-JTOYRKQZSA-N 2 1 414.638 3.954 20 0 HHADMP C[C@@H](NC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486300520 998702019 /nfs/dbraw/zinc/70/20/19/998702019.db2.gz TXUTVTMWJREHBU-JTOYRKQZSA-N 2 1 414.638 3.954 20 0 HHADMP CN(C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486328200 998714080 /nfs/dbraw/zinc/71/40/80/998714080.db2.gz KPEBNDBCGPTQIL-SFHVURJKSA-N 2 1 411.456 3.551 20 0 HHADMP CN(C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486328200 998714085 /nfs/dbraw/zinc/71/40/85/998714085.db2.gz KPEBNDBCGPTQIL-SFHVURJKSA-N 2 1 411.456 3.551 20 0 HHADMP C[C@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1c(F)cccc1F ZINC000486392518 998743959 /nfs/dbraw/zinc/74/39/59/998743959.db2.gz FZJFQMVCVSGXCO-KRWDZBQOSA-N 2 1 407.549 3.723 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]Cc3c(Br)cnn3C)cc2)C1 ZINC000486983219 999026848 /nfs/dbraw/zinc/02/68/48/999026848.db2.gz BXTLERZGHBRISQ-IYBDPMFKSA-N 2 1 405.384 3.950 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3c(Br)cnn3C)cc2)C1 ZINC000486983219 999026853 /nfs/dbraw/zinc/02/68/53/999026853.db2.gz BXTLERZGHBRISQ-IYBDPMFKSA-N 2 1 405.384 3.950 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3c(Br)cnn3C)cc2)C1 ZINC000486983218 999027004 /nfs/dbraw/zinc/02/70/04/999027004.db2.gz BXTLERZGHBRISQ-HZPDHXFCSA-N 2 1 405.384 3.950 20 0 HHADMP CC(C)([C@H](NC(=O)[C@@H]1CCCc2[nH+]ccn21)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000487040714 999045402 /nfs/dbraw/zinc/04/54/02/999045402.db2.gz MXBBQYYERDNJIN-AZUAARDMSA-N 2 1 402.489 3.771 20 0 HHADMP C[C@@H]1[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000478728850 999111167 /nfs/dbraw/zinc/11/11/67/999111167.db2.gz YKODZBWJEFXKQF-HYBUGGRVSA-N 2 1 406.574 3.745 20 0 HHADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000478976220 999231078 /nfs/dbraw/zinc/23/10/78/999231078.db2.gz NJJAUBLJPXLRHL-LJQANCHMSA-N 2 1 404.352 3.607 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000479066962 999278148 /nfs/dbraw/zinc/27/81/48/999278148.db2.gz KCFOLASPFOJXQH-SVFBPWRDSA-N 2 1 415.603 3.655 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000479066962 999278150 /nfs/dbraw/zinc/27/81/50/999278150.db2.gz KCFOLASPFOJXQH-SVFBPWRDSA-N 2 1 415.603 3.655 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)cc1 ZINC000479069526 999279414 /nfs/dbraw/zinc/27/94/14/999279414.db2.gz YVZOGKMKNFUTGC-IRXDYDNUSA-N 2 1 412.559 3.857 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NC[C@@H](C)C[NH+]2CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000487917910 999315189 /nfs/dbraw/zinc/31/51/89/999315189.db2.gz NAEUTBWRTSJNMI-HBGVWJBISA-N 2 1 408.537 3.520 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](C)C[NH+]2CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000487917910 999315191 /nfs/dbraw/zinc/31/51/91/999315191.db2.gz NAEUTBWRTSJNMI-HBGVWJBISA-N 2 1 408.537 3.520 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488014265 999349086 /nfs/dbraw/zinc/34/90/86/999349086.db2.gz MWMCDXODQBOYCT-LSUHJGNXSA-N 2 1 406.574 3.642 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488014265 999349088 /nfs/dbraw/zinc/34/90/88/999349088.db2.gz MWMCDXODQBOYCT-LSUHJGNXSA-N 2 1 406.574 3.642 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488014265 999349091 /nfs/dbraw/zinc/34/90/91/999349091.db2.gz MWMCDXODQBOYCT-LSUHJGNXSA-N 2 1 406.574 3.642 20 0 HHADMP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000479342511 999394754 /nfs/dbraw/zinc/39/47/54/999394754.db2.gz HUXQHCNNEFWIRC-DEOSSOPVSA-N 2 1 402.542 3.872 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000488546461 999523573 /nfs/dbraw/zinc/52/35/73/999523573.db2.gz KWHSTCZKSRKKJX-COPCDDAFSA-N 2 1 420.548 3.758 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000488546461 999523576 /nfs/dbraw/zinc/52/35/76/999523576.db2.gz KWHSTCZKSRKKJX-COPCDDAFSA-N 2 1 420.548 3.758 20 0 HHADMP COc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)ccc1OC(F)F ZINC000479890934 999638053 /nfs/dbraw/zinc/63/80/53/999638053.db2.gz XSAAYDDSRLNNRK-MRXNPFEDSA-N 2 1 406.473 3.980 20 0 HHADMP Cc1ccc2nc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CCN(C)CC3)ccc2c1 ZINC000489127508 999707199 /nfs/dbraw/zinc/70/71/99/999707199.db2.gz KWOSIOYHNADJGN-ZEQRLZLVSA-N 2 1 408.590 3.952 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000480084129 999712712 /nfs/dbraw/zinc/71/27/12/999712712.db2.gz JBCHWHGXEIDUHI-DCEDVJGZSA-N 2 1 411.565 3.699 20 0 HHADMP c1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000489260068 999732158 /nfs/dbraw/zinc/73/21/58/999732158.db2.gz VYACXFBCGKKLGW-UIOOFZCWSA-N 3 1 410.650 3.522 20 0 HHADMP c1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000489260068 999732159 /nfs/dbraw/zinc/73/21/59/999732159.db2.gz VYACXFBCGKKLGW-UIOOFZCWSA-N 3 1 410.650 3.522 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)c1 ZINC000489407765 999760685 /nfs/dbraw/zinc/76/06/85/999760685.db2.gz UUJMPHAZBFERBF-HYBUGGRVSA-N 2 1 408.590 3.848 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000489407765 999760686 /nfs/dbraw/zinc/76/06/86/999760686.db2.gz UUJMPHAZBFERBF-HYBUGGRVSA-N 2 1 408.590 3.848 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000489407765 999760689 /nfs/dbraw/zinc/76/06/89/999760689.db2.gz UUJMPHAZBFERBF-HYBUGGRVSA-N 2 1 408.590 3.848 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000489498772 999778928 /nfs/dbraw/zinc/77/89/28/999778928.db2.gz REMJPEQQLQHVHZ-BWKNWUBXSA-N 2 1 420.601 3.645 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000489498772 999778929 /nfs/dbraw/zinc/77/89/29/999778929.db2.gz REMJPEQQLQHVHZ-BWKNWUBXSA-N 2 1 420.601 3.645 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000489498772 999778930 /nfs/dbraw/zinc/77/89/30/999778930.db2.gz REMJPEQQLQHVHZ-BWKNWUBXSA-N 2 1 420.601 3.645 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000489528179 999784864 /nfs/dbraw/zinc/78/48/64/999784864.db2.gz HGMBSHLVSRGCFK-GGAORHGYSA-N 2 1 400.611 3.852 20 0 HHADMP C[C@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000489631555 999806250 /nfs/dbraw/zinc/80/62/50/999806250.db2.gz NOONBRUSYDAYGF-OAQYLSRUSA-N 2 1 408.590 3.813 20 0 HHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc(-c3ccc4c(c3)OCO4)no2)CC1 ZINC000489637391 999807641 /nfs/dbraw/zinc/80/76/41/999807641.db2.gz WLJARKZHOJROQC-UHFFFAOYSA-N 2 1 420.513 3.809 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc(-c3ccc4c(c3)OCO4)no2)CC1 ZINC000489637391 999807645 /nfs/dbraw/zinc/80/76/45/999807645.db2.gz WLJARKZHOJROQC-UHFFFAOYSA-N 2 1 420.513 3.809 20 0 HHADMP Cc1ccc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1NC(=O)CN1CCCCC1 ZINC000489708988 999822013 /nfs/dbraw/zinc/82/20/13/999822013.db2.gz XZGKKMLRGOFXLU-HXUWFJFHSA-N 2 1 400.567 3.622 20 0 HHADMP Cc1ccc(NC(=O)CC[C@H]2CCCC[N@H+]2C)cc1NC(=O)C[NH+]1CCCCC1 ZINC000489708988 999822015 /nfs/dbraw/zinc/82/20/15/999822015.db2.gz XZGKKMLRGOFXLU-HXUWFJFHSA-N 2 1 400.567 3.622 20 0 HHADMP Cc1ccc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1NC(=O)C[NH+]1CCCCC1 ZINC000489708988 999822018 /nfs/dbraw/zinc/82/20/18/999822018.db2.gz XZGKKMLRGOFXLU-HXUWFJFHSA-N 2 1 400.567 3.622 20 0 HHADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)NCC[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000489742532 999829140 /nfs/dbraw/zinc/82/91/40/999829140.db2.gz JGPRSOLCMDPXPT-OJKLRCKNSA-N 2 1 412.622 3.659 20 0 HHADMP C[C@@H]1C[C@H]1[NH+]1CCN(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000489742532 999829141 /nfs/dbraw/zinc/82/91/41/999829141.db2.gz JGPRSOLCMDPXPT-OJKLRCKNSA-N 2 1 412.622 3.659 20 0 HHADMP C[C@@H]1C[C@H]1[NH+]1CCN(C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000489742532 999829142 /nfs/dbraw/zinc/82/91/42/999829142.db2.gz JGPRSOLCMDPXPT-OJKLRCKNSA-N 2 1 412.622 3.659 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@H](c2ccccc2)N2CCOCC2)cc1F ZINC000480593994 999836057 /nfs/dbraw/zinc/83/60/57/999836057.db2.gz JAAGMGKXIBOTPT-HOYKHHGWSA-N 2 1 408.521 3.871 20 0 HHADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1 ZINC000480613143 999841240 /nfs/dbraw/zinc/84/12/40/999841240.db2.gz MIPSREOFDJTTKC-RTBURBONSA-N 2 1 415.603 3.820 20 0 HHADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)c1 ZINC000480613143 999841243 /nfs/dbraw/zinc/84/12/43/999841243.db2.gz MIPSREOFDJTTKC-RTBURBONSA-N 2 1 415.603 3.820 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(-c2ccncc2)cc1 ZINC000480615378 999841940 /nfs/dbraw/zinc/84/19/40/999841940.db2.gz SCMWBYAKDPMKTO-HXUWFJFHSA-N 2 1 414.553 3.987 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000489824318 999844479 /nfs/dbraw/zinc/84/44/79/999844479.db2.gz DTSHLMMJLFOLCI-SQJMNOBHSA-N 2 1 420.601 3.992 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000489824934 999844725 /nfs/dbraw/zinc/84/47/25/999844725.db2.gz DLPUKDPUEDAESA-KHUIQGCPSA-N 2 1 414.638 3.954 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000489824934 999844727 /nfs/dbraw/zinc/84/47/27/999844727.db2.gz DLPUKDPUEDAESA-KHUIQGCPSA-N 2 1 414.638 3.954 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000489824934 999844729 /nfs/dbraw/zinc/84/47/29/999844729.db2.gz DLPUKDPUEDAESA-KHUIQGCPSA-N 2 1 414.638 3.954 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000489824933 999844742 /nfs/dbraw/zinc/84/47/42/999844742.db2.gz DLPUKDPUEDAESA-JTOYRKQZSA-N 2 1 414.638 3.954 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000489824933 999844745 /nfs/dbraw/zinc/84/47/45/999844745.db2.gz DLPUKDPUEDAESA-JTOYRKQZSA-N 2 1 414.638 3.954 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000489824933 999844747 /nfs/dbraw/zinc/84/47/47/999844747.db2.gz DLPUKDPUEDAESA-JTOYRKQZSA-N 2 1 414.638 3.954 20 0 HHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000489832464 999845976 /nfs/dbraw/zinc/84/59/76/999845976.db2.gz CDCSIFVKKZYODP-DHLKQENFSA-N 2 1 422.617 3.979 20 0 HHADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000480635528 999846978 /nfs/dbraw/zinc/84/69/78/999846978.db2.gz ATHFDSCCNDPMAU-RBUKOAKNSA-N 2 1 415.603 3.820 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000480695399 999861506 /nfs/dbraw/zinc/86/15/06/999861506.db2.gz JOSDBVHEBRKZET-ZCNNSNEGSA-N 2 1 404.562 3.991 20 0 HHADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)cc2)CC[N@@H+](C2CCC2)C1 ZINC000489920755 999862674 /nfs/dbraw/zinc/86/26/74/999862674.db2.gz UPJGJHXSCOBWDJ-ZLGUVYLKSA-N 2 1 404.986 3.601 20 0 HHADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)cc2)CC[N@H+](C2CCC2)C1 ZINC000489920755 999862676 /nfs/dbraw/zinc/86/26/76/999862676.db2.gz UPJGJHXSCOBWDJ-ZLGUVYLKSA-N 2 1 404.986 3.601 20 0 HHADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC[NH+](C2CCC2)C1 ZINC000489920755 999862679 /nfs/dbraw/zinc/86/26/79/999862679.db2.gz UPJGJHXSCOBWDJ-ZLGUVYLKSA-N 2 1 404.986 3.601 20 0 HHADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC[NH+](C2CCC2)C1 ZINC000489920755 999862681 /nfs/dbraw/zinc/86/26/81/999862681.db2.gz UPJGJHXSCOBWDJ-ZLGUVYLKSA-N 2 1 404.986 3.601 20 0 HHADMP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480712231 999865604 /nfs/dbraw/zinc/86/56/04/999865604.db2.gz IROSPFDBQZRRLF-NRFANRHFSA-N 2 1 401.595 3.678 20 0 HHADMP CC[N@@H+](C)[C@@H](C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1ccccc1 ZINC000490056903 999886503 /nfs/dbraw/zinc/88/65/03/999886503.db2.gz IGKONGGIVSTFRS-JTHBVZDNSA-N 2 1 407.558 3.784 20 0 HHADMP COc1cccc([C@@H]2[C@@H](NC(=O)NCc3cccc(C[NH+](C)C)c3)CC[N@H+]2C2CC2)c1 ZINC000490088276 999891270 /nfs/dbraw/zinc/89/12/70/999891270.db2.gz LAHZFEUWHXIBSN-BJKOFHAPSA-N 2 1 422.573 3.534 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000490256223 999923145 /nfs/dbraw/zinc/92/31/45/999923145.db2.gz XFVWMXDMCTUUSM-NFBKMPQASA-N 2 1 424.589 3.652 20 0 HHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4ccncc4OC[C@H]4CCOC4)[C@H]3C2)cc1 ZINC000490368707 999945919 /nfs/dbraw/zinc/94/59/19/999945919.db2.gz MYDQLQQHKBPVEP-LFBFJMOVSA-N 2 1 421.585 3.887 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4ccncc4OC[C@H]4CCOC4)[C@H]3C2)cc1 ZINC000490368707 999945921 /nfs/dbraw/zinc/94/59/21/999945921.db2.gz MYDQLQQHKBPVEP-LFBFJMOVSA-N 2 1 421.585 3.887 20 0 HHADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490769787 1000003665 /nfs/dbraw/zinc/00/36/65/1000003665.db2.gz NPJACZVZXFHJED-TUSQITKMSA-N 2 1 405.586 3.925 20 0 HHADMP C[C@H](NC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490769787 1000003669 /nfs/dbraw/zinc/00/36/69/1000003669.db2.gz NPJACZVZXFHJED-TUSQITKMSA-N 2 1 405.586 3.925 20 0 HHADMP C[C@H](NC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490769787 1000003671 /nfs/dbraw/zinc/00/36/71/1000003671.db2.gz NPJACZVZXFHJED-TUSQITKMSA-N 2 1 405.586 3.925 20 0 HHADMP C[NH+]1CCC(CC[NH2+][C@@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)CC1 ZINC000491007964 1000033619 /nfs/dbraw/zinc/03/36/19/1000033619.db2.gz OXWFLWOYDIREHV-QFIPXVFZSA-N 2 1 422.541 3.779 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C)[NH+]1CCc2ccccc2C1 ZINC000491027253 1000035825 /nfs/dbraw/zinc/03/58/25/1000035825.db2.gz JEBCIDVNWDTFMF-GMAHTHKFSA-N 2 1 405.586 3.804 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000491027253 1000035826 /nfs/dbraw/zinc/03/58/26/1000035826.db2.gz JEBCIDVNWDTFMF-GMAHTHKFSA-N 2 1 405.586 3.804 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000491027253 1000035827 /nfs/dbraw/zinc/03/58/27/1000035827.db2.gz JEBCIDVNWDTFMF-GMAHTHKFSA-N 2 1 405.586 3.804 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccccc1OCC[NH+](C)C ZINC000491052973 1000039611 /nfs/dbraw/zinc/03/96/11/1000039611.db2.gz RPOKHAXNMLTWDQ-QFIPXVFZSA-N 2 1 409.574 3.611 20 0 HHADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)C1 ZINC000491057505 1000040177 /nfs/dbraw/zinc/04/01/77/1000040177.db2.gz FNVVUQUPOURKNZ-PZJWPPBQSA-N 2 1 417.500 3.554 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)C1 ZINC000491057505 1000040180 /nfs/dbraw/zinc/04/01/80/1000040180.db2.gz FNVVUQUPOURKNZ-PZJWPPBQSA-N 2 1 417.500 3.554 20 0 HHADMP CC(C)Oc1ccc([C@H](CNC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)[NH+](C)C)cc1 ZINC000491082488 1000043637 /nfs/dbraw/zinc/04/36/37/1000043637.db2.gz WOTBZWQZZMTLDF-XXBNENTESA-N 2 1 416.610 3.592 20 0 HHADMP CC(=O)N1CC[C@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c2ccccc2C1 ZINC000492044233 1000106507 /nfs/dbraw/zinc/10/65/07/1000106507.db2.gz OUFHVSAMAIEJNO-QHCPKHFHSA-N 2 1 410.562 3.587 20 0 HHADMP Cc1ccc(NC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000492043717 1000106533 /nfs/dbraw/zinc/10/65/33/1000106533.db2.gz ODQKYHVPXFCZEC-IRLDBZIGSA-N 2 1 424.589 3.968 20 0 HHADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000492912391 1000149166 /nfs/dbraw/zinc/14/91/66/1000149166.db2.gz OQCNUSPYKSQWBR-UHFFFAOYSA-N 2 1 418.010 3.786 20 0 HHADMP COc1ccc([C@@H]2CC[N@@H+](CC(=O)NC3CC[NH+](Cc4ccccc4C)CC3)C2)cc1 ZINC000504484101 1000228492 /nfs/dbraw/zinc/22/84/92/1000228492.db2.gz PJUBZFGRWGDTJB-HSZRJFAPSA-N 2 1 421.585 3.574 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1)C(C)C ZINC000504660827 1000313750 /nfs/dbraw/zinc/31/37/50/1000313750.db2.gz CJQQEIUADOFTQQ-FGZHOGPDSA-N 2 1 414.638 3.548 20 0 HHADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000504870351 1000416217 /nfs/dbraw/zinc/41/62/17/1000416217.db2.gz RPHFKFGVKKPKKY-FQEVSTJZSA-N 2 1 408.590 3.774 20 0 HHADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504876403 1000420805 /nfs/dbraw/zinc/42/08/05/1000420805.db2.gz OHYXXNNYNKQUGG-JOCHJYFZSA-N 2 1 421.589 3.533 20 0 HHADMP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000504882910 1000425535 /nfs/dbraw/zinc/42/55/35/1000425535.db2.gz QNPBVUIUFUIYMC-QFIPXVFZSA-N 2 1 421.589 3.615 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504883676 1000426436 /nfs/dbraw/zinc/42/64/36/1000426436.db2.gz WBTZRJIFCWMAQG-DNQXCXABSA-N 2 1 406.574 3.787 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504935349 1000457164 /nfs/dbraw/zinc/45/71/64/1000457164.db2.gz DULVKRARIFYMOU-XMMPIXPASA-N 2 1 406.574 3.615 20 0 HHADMP C[C@@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[N@@H+]1CCc2sccc2C1 ZINC000504983189 1000487939 /nfs/dbraw/zinc/48/79/39/1000487939.db2.gz OCJQZRRANOWBJM-GHTZIAJQSA-N 2 1 412.603 3.631 20 0 HHADMP C[C@@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[N@H+]1CCc2sccc2C1 ZINC000504983189 1000487942 /nfs/dbraw/zinc/48/79/42/1000487942.db2.gz OCJQZRRANOWBJM-GHTZIAJQSA-N 2 1 412.603 3.631 20 0 HHADMP CC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@H](C)c1cccc(O)c1 ZINC000494560335 1000555024 /nfs/dbraw/zinc/55/50/24/1000555024.db2.gz ANNNVQJXHUUFQT-HXUWFJFHSA-N 2 1 409.574 3.864 20 0 HHADMP CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@H](C)c1cccc(O)c1 ZINC000494560335 1000555029 /nfs/dbraw/zinc/55/50/29/1000555029.db2.gz ANNNVQJXHUUFQT-HXUWFJFHSA-N 2 1 409.574 3.864 20 0 HHADMP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000494566740 1000557657 /nfs/dbraw/zinc/55/76/57/1000557657.db2.gz WUDRZKWEMOIAEU-QPPBQGQZSA-N 2 1 415.622 3.542 20 0 HHADMP C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000495000974 1000771777 /nfs/dbraw/zinc/77/17/77/1000771777.db2.gz YLLUKZCATVLNFH-OXJNMPFZSA-N 2 1 421.511 3.553 20 0 HHADMP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000495000974 1000771784 /nfs/dbraw/zinc/77/17/84/1000771784.db2.gz YLLUKZCATVLNFH-OXJNMPFZSA-N 2 1 421.511 3.553 20 0 HHADMP CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000505642840 1000950312 /nfs/dbraw/zinc/95/03/12/1000950312.db2.gz XKSPIJSDUOIPGB-UHFFFAOYSA-N 2 1 424.589 3.686 20 0 HHADMP CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000505642840 1000950321 /nfs/dbraw/zinc/95/03/21/1000950321.db2.gz XKSPIJSDUOIPGB-UHFFFAOYSA-N 2 1 424.589 3.686 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1cccs1 ZINC000505766049 1001012225 /nfs/dbraw/zinc/01/22/25/1001012225.db2.gz KTBPNLWBGGHXNR-REWPJTCUSA-N 2 1 412.603 3.658 20 0 HHADMP Cc1csc([C@H]([NH2+][C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C2CC2)n1 ZINC000495449520 1001016313 /nfs/dbraw/zinc/01/63/13/1001016313.db2.gz CZPUNVLCNQHVNN-LAUBAEHRSA-N 2 1 412.603 3.662 20 0 HHADMP C[NH+](C)[C@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000505808253 1001037024 /nfs/dbraw/zinc/03/70/24/1001037024.db2.gz VYFULIRZQQEKHG-QHCPKHFHSA-N 2 1 408.546 3.743 20 0 HHADMP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccccc3Br)cn2)CC1 ZINC000495531914 1001041708 /nfs/dbraw/zinc/04/17/08/1001041708.db2.gz WCOTWKVOMMVJNH-INIZCTEOSA-N 2 1 403.368 3.837 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccc(F)c(Cl)c1 ZINC000495577823 1001048033 /nfs/dbraw/zinc/04/80/33/1001048033.db2.gz PWLULUBHTJXAPD-INIZCTEOSA-N 2 1 419.928 3.991 20 0 HHADMP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000505891255 1001083777 /nfs/dbraw/zinc/08/37/77/1001083777.db2.gz IVNSOTLKIZTNBE-FCHUYYIVSA-N 2 1 413.512 3.535 20 0 HHADMP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH+](Cc2ccccc2)CCC1(F)F ZINC000505891255 1001083782 /nfs/dbraw/zinc/08/37/82/1001083782.db2.gz IVNSOTLKIZTNBE-FCHUYYIVSA-N 2 1 413.512 3.535 20 0 HHADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[NH+](Cc2ccccc2)CCC1(F)F ZINC000505891255 1001083789 /nfs/dbraw/zinc/08/37/89/1001083789.db2.gz IVNSOTLKIZTNBE-FCHUYYIVSA-N 2 1 413.512 3.535 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[NH+](C)C ZINC000506146818 1001248358 /nfs/dbraw/zinc/24/83/58/1001248358.db2.gz WAVFRKKPERKSAH-QFIPXVFZSA-N 2 1 416.610 3.596 20 0 HHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)CC1 ZINC000506245942 1001304219 /nfs/dbraw/zinc/30/42/19/1001304219.db2.gz CMJAIJDILCSDJW-QFIPXVFZSA-N 2 1 406.574 3.679 20 0 HHADMP Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[NH+]2CCCC2)o1 ZINC000506470534 1001426773 /nfs/dbraw/zinc/42/67/73/1001426773.db2.gz SIFURNFRHVISOO-IRLDBZIGSA-N 2 1 413.537 3.892 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000497566403 1001438615 /nfs/dbraw/zinc/43/86/15/1001438615.db2.gz RSYSWMSPRIAVQR-YKSBVNFPSA-N 2 1 412.622 3.993 20 0 HHADMP C[C@H]1C[NH+](Cc2ccc(C(=O)NC3CC[NH+](CC4CCCC4)CC3)cc2)C[C@H](C)O1 ZINC000497605409 1001455855 /nfs/dbraw/zinc/45/58/55/1001455855.db2.gz HQMGMMVWJZPGPC-PMACEKPBSA-N 2 1 413.606 3.680 20 0 HHADMP CC(C)C[C@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)[NH2+][C@H](C)c1ccccc1 ZINC000497612128 1001458336 /nfs/dbraw/zinc/45/83/36/1001458336.db2.gz RUCWILATIUDCQG-ADHNFCLRSA-N 2 1 400.611 3.878 20 0 HHADMP CC(C)C[C@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)[NH2+][C@@H](C)c1ccccc1 ZINC000497612136 1001458734 /nfs/dbraw/zinc/45/87/34/1001458734.db2.gz RUCWILATIUDCQG-MLDBQTBOSA-N 2 1 400.611 3.878 20 0 HHADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000497619829 1001461227 /nfs/dbraw/zinc/46/12/27/1001461227.db2.gz FCQNASNNQFEELN-IRLDBZIGSA-N 2 1 419.013 3.678 20 0 HHADMP Oc1ccc(C2CC[NH+](CC(O)C[NH+]3CCC(c4ccc(O)cc4)CC3)CC2)cc1 ZINC000497747486 1001502994 /nfs/dbraw/zinc/50/29/94/1001502994.db2.gz HVODGLNHRUPETA-UHFFFAOYSA-N 2 1 410.558 3.518 20 0 HHADMP C[NH+](C)C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(F)cc1 ZINC000498022095 1001609084 /nfs/dbraw/zinc/60/90/84/1001609084.db2.gz CVAUQBPTLKHQJK-CUWPLCDZSA-N 2 1 418.582 3.872 20 0 HHADMP COc1cccc([C@@H]2[C@H](NC(=O)NCCC[NH+]3CCCC[C@H]3C)CC[N@H+]2C2CC2)c1 ZINC000498114143 1001646729 /nfs/dbraw/zinc/64/67/29/1001646729.db2.gz LNXVNUNFPFQFLJ-SXSPYAJSSA-N 2 1 414.594 3.537 20 0 HHADMP COc1cccc([C@@H]2[C@H](NC(=O)NCCC[N@@H+]3CCCC[C@H]3C)CC[NH+]2C2CC2)c1 ZINC000498114143 1001646731 /nfs/dbraw/zinc/64/67/31/1001646731.db2.gz LNXVNUNFPFQFLJ-SXSPYAJSSA-N 2 1 414.594 3.537 20 0 HHADMP COc1cccc([C@@H]2[C@H](NC(=O)NCCC[N@H+]3CCCC[C@H]3C)CC[NH+]2C2CC2)c1 ZINC000498114143 1001646734 /nfs/dbraw/zinc/64/67/34/1001646734.db2.gz LNXVNUNFPFQFLJ-SXSPYAJSSA-N 2 1 414.594 3.537 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)c1ccccc1Cl ZINC000498136166 1001657369 /nfs/dbraw/zinc/65/73/69/1001657369.db2.gz JZBOVPUTWAPZTD-DUXKGJEZSA-N 2 1 407.002 3.849 20 0 HHADMP C[N@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000498273538 1001747697 /nfs/dbraw/zinc/74/76/97/1001747697.db2.gz CSZYWEGCWSKZOF-XWDORNJCSA-N 2 1 422.976 3.598 20 0 HHADMP C[NH+]1CC[C@@H](CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000498273538 1001747703 /nfs/dbraw/zinc/74/77/03/1001747703.db2.gz CSZYWEGCWSKZOF-XWDORNJCSA-N 2 1 422.976 3.598 20 0 HHADMP C[NH+]1CC[C@@H](CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000498273538 1001747710 /nfs/dbraw/zinc/74/77/10/1001747710.db2.gz CSZYWEGCWSKZOF-XWDORNJCSA-N 2 1 422.976 3.598 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)CC(C)C ZINC000498443976 1001873129 /nfs/dbraw/zinc/87/31/29/1001873129.db2.gz NLFQMVFCWLGLOK-VIZSFHNOSA-N 2 1 403.611 3.782 20 0 HHADMP COc1cccc([C@@H]2[C@@H](NC(=O)NCCC[NH2+]C3CCCCC3)CC[N@H+]2C2CC2)c1 ZINC000498555056 1001970041 /nfs/dbraw/zinc/97/00/41/1001970041.db2.gz NYJTZPHSYUZCEI-XZOQPEGZSA-N 2 1 414.594 3.585 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498665525 1002059142 /nfs/dbraw/zinc/05/91/42/1002059142.db2.gz DODCEFACOPZAOB-COPCDDAFSA-N 2 1 420.548 3.758 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498665525 1002059155 /nfs/dbraw/zinc/05/91/55/1002059155.db2.gz DODCEFACOPZAOB-COPCDDAFSA-N 2 1 420.548 3.758 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)[C@H]1c1ccc(F)c(F)c1 ZINC000498670224 1002063328 /nfs/dbraw/zinc/06/33/28/1002063328.db2.gz IKCVJOZLQAGILH-KDXIVRHGSA-N 2 1 420.548 3.614 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)[C@H]1c1ccc(F)c(F)c1 ZINC000498670224 1002063343 /nfs/dbraw/zinc/06/33/43/1002063343.db2.gz IKCVJOZLQAGILH-KDXIVRHGSA-N 2 1 420.548 3.614 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)[C@H]1c1ccc(F)c(F)c1 ZINC000498670224 1002063357 /nfs/dbraw/zinc/06/33/57/1002063357.db2.gz IKCVJOZLQAGILH-KDXIVRHGSA-N 2 1 420.548 3.614 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)[C@H]1c1ccc(F)c(F)c1 ZINC000498670224 1002063365 /nfs/dbraw/zinc/06/33/65/1002063365.db2.gz IKCVJOZLQAGILH-KDXIVRHGSA-N 2 1 420.548 3.614 20 0 HHADMP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498707382 1002091462 /nfs/dbraw/zinc/09/14/62/1002091462.db2.gz SXPBGXJDCSFFKA-XUZZJYLKSA-N 2 1 408.590 3.670 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]Cc4ccnc(OC5CCOCC5)c4)[C@@H]3C2)cc1 ZINC000507511193 1002121631 /nfs/dbraw/zinc/12/16/31/1002121631.db2.gz OBWKRNYSDGLELH-QPTUXGOLSA-N 2 1 407.558 3.640 20 0 HHADMP O=C1c2ccccc2C(=O)N1CCCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000507518347 1002128368 /nfs/dbraw/zinc/12/83/68/1002128368.db2.gz CPWSJIYBEHIKLD-AGILITTLSA-N 2 1 417.553 3.563 20 0 HHADMP CCC[NH+]1CCN(c2ccc(NC(=O)CC[C@H]3CCCC[N@H+]3C)c(OCC)c2)CC1 ZINC000507593368 1002199300 /nfs/dbraw/zinc/19/93/00/1002199300.db2.gz LTUNSOSMQKROJM-HXUWFJFHSA-N 2 1 416.610 3.820 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000507624089 1002228611 /nfs/dbraw/zinc/22/86/11/1002228611.db2.gz YICKGZRZVHAKCI-YSZBQJHXSA-N 2 1 419.548 3.899 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000507624089 1002228620 /nfs/dbraw/zinc/22/86/20/1002228620.db2.gz YICKGZRZVHAKCI-YSZBQJHXSA-N 2 1 419.548 3.899 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000498898943 1002289771 /nfs/dbraw/zinc/28/97/71/1002289771.db2.gz UCTVBKURGSOSKR-LEOXJPRUSA-N 2 1 412.553 3.781 20 0 HHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000499114492 1002504029 /nfs/dbraw/zinc/50/40/29/1002504029.db2.gz XVFJKMLFMYZYNP-SEIRJHJZSA-N 2 1 412.578 3.919 20 0 HHADMP c1csc([C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)N2CCOCC2)c1 ZINC000499141844 1002526468 /nfs/dbraw/zinc/52/64/68/1002526468.db2.gz NLWZFCUGVHOHCD-BXXSPATCSA-N 2 1 411.615 3.907 20 0 HHADMP Cc1ccc(COc2ccc(C[NH2+]CCC[N@H+]3CCC[C@H]3C(=O)N(C)C)cc2)cc1 ZINC000508078477 1002599793 /nfs/dbraw/zinc/59/97/93/1002599793.db2.gz GRHKWQPPIDXEKT-DEOSSOPVSA-N 2 1 409.574 3.606 20 0 HHADMP Cc1ccc(COc2ccc(C[NH2+]CCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)cc2)cc1 ZINC000508078477 1002599808 /nfs/dbraw/zinc/59/98/08/1002599808.db2.gz GRHKWQPPIDXEKT-DEOSSOPVSA-N 2 1 409.574 3.606 20 0 HHADMP C[NH+]1CCC(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)(N2CCCCC2)CC1 ZINC000499257147 1002656975 /nfs/dbraw/zinc/65/69/75/1002656975.db2.gz TZHOBZSUSHNNMC-QEIWAGNOSA-N 3 1 410.650 3.722 20 0 HHADMP C[NH+]1CCC(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)(N2CCCCC2)CC1 ZINC000499257147 1002656981 /nfs/dbraw/zinc/65/69/81/1002656981.db2.gz TZHOBZSUSHNNMC-QEIWAGNOSA-N 2 1 410.650 3.722 20 0 HHADMP CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000508617776 1003071681 /nfs/dbraw/zinc/07/16/81/1003071681.db2.gz ZIDKXIYFRYUQKT-INIZCTEOSA-N 2 1 407.484 3.830 20 0 HHADMP CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000508617776 1003071692 /nfs/dbraw/zinc/07/16/92/1003071692.db2.gz ZIDKXIYFRYUQKT-INIZCTEOSA-N 2 1 407.484 3.830 20 0 HHADMP C[C@@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508690314 1003127931 /nfs/dbraw/zinc/12/79/31/1003127931.db2.gz JNIFAZFASUOBDH-YKSBVNFPSA-N 2 1 420.601 3.706 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508698064 1003135561 /nfs/dbraw/zinc/13/55/61/1003135561.db2.gz NLTDMMLIAZHKGC-APTRMMRNSA-N 2 1 407.558 3.804 20 0 HHADMP COc1ccc([C@H](C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1OC ZINC000508713099 1003151795 /nfs/dbraw/zinc/15/17/95/1003151795.db2.gz SBTIGRKPYOMOBD-VJBMBRPKSA-N 2 1 411.590 3.807 20 0 HHADMP COc1ccc([C@H](CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1OC ZINC000508713099 1003151823 /nfs/dbraw/zinc/15/18/23/1003151823.db2.gz SBTIGRKPYOMOBD-VJBMBRPKSA-N 2 1 411.590 3.807 20 0 HHADMP COc1ccc([C@H](CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[NH+](C)C)cc1OC ZINC000508713099 1003151802 /nfs/dbraw/zinc/15/18/02/1003151802.db2.gz SBTIGRKPYOMOBD-VJBMBRPKSA-N 2 1 411.590 3.807 20 0 HHADMP C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722344 1003162535 /nfs/dbraw/zinc/16/25/35/1003162535.db2.gz SCBSUDPQPJYUAW-GIFXNVAJSA-N 2 1 406.618 3.697 20 0 HHADMP COc1ccc([C@H](C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)N2CCOCC2)cc1 ZINC000508722286 1003162595 /nfs/dbraw/zinc/16/25/95/1003162595.db2.gz XBPUZPKKHFTBIO-CVJWPJSTSA-N 2 1 423.601 3.569 20 0 HHADMP C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722343 1003162702 /nfs/dbraw/zinc/16/27/02/1003162702.db2.gz SCBSUDPQPJYUAW-CUYJMHBOSA-N 2 1 406.618 3.697 20 0 HHADMP Cc1cc(NC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)n(C2CC[NH+](C)CC2)n1 ZINC000499884564 1003220270 /nfs/dbraw/zinc/22/02/70/1003220270.db2.gz CUOJBKAYTCAVPQ-VQTJNVASSA-N 2 1 424.593 3.585 20 0 HHADMP COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NC(=O)C[NH+](C)C(C)C)CC2 ZINC000499956391 1003275720 /nfs/dbraw/zinc/27/57/20/1003275720.db2.gz IPFYJXZLXYVBFG-UHFFFAOYSA-N 2 1 411.546 3.541 20 0 HHADMP COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NC(=O)C[NH+](C)C(C)C)CC2 ZINC000499956391 1003275727 /nfs/dbraw/zinc/27/57/27/1003275727.db2.gz IPFYJXZLXYVBFG-UHFFFAOYSA-N 2 1 411.546 3.541 20 0 HHADMP COc1cc2c(cc1OC)C[NH+](Cc1ccccc1NC(=O)C[N@H+](C)C(C)C)CC2 ZINC000499956391 1003275729 /nfs/dbraw/zinc/27/57/29/1003275729.db2.gz IPFYJXZLXYVBFG-UHFFFAOYSA-N 2 1 411.546 3.541 20 0 HHADMP COc1cc2c(cc1OC)C[NH+](Cc1ccccc1NC(=O)C[N@@H+](C)C(C)C)CC2 ZINC000499956391 1003275742 /nfs/dbraw/zinc/27/57/42/1003275742.db2.gz IPFYJXZLXYVBFG-UHFFFAOYSA-N 2 1 411.546 3.541 20 0 HHADMP C[C@@H]1C[NH+](CC2CC[NH+](CCOc3ccccc3Br)CC2)C[C@@H](C)O1 ZINC000508856388 1003276401 /nfs/dbraw/zinc/27/64/01/1003276401.db2.gz AKDXWGJSKRZPCK-IAGOWNOFSA-N 2 1 411.384 3.649 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000499966941 1003286202 /nfs/dbraw/zinc/28/62/02/1003286202.db2.gz DMTWLZSHDDWSCM-NOZRDPDXSA-N 2 1 412.622 3.662 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000499966941 1003286208 /nfs/dbraw/zinc/28/62/08/1003286208.db2.gz DMTWLZSHDDWSCM-NOZRDPDXSA-N 2 1 412.622 3.662 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000499966941 1003286215 /nfs/dbraw/zinc/28/62/15/1003286215.db2.gz DMTWLZSHDDWSCM-NOZRDPDXSA-N 2 1 412.622 3.662 20 0 HHADMP C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508904446 1003341330 /nfs/dbraw/zinc/34/13/30/1003341330.db2.gz ZOSWILATTAAMPE-XXBNENTESA-N 2 1 412.553 3.734 20 0 HHADMP C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508904446 1003341336 /nfs/dbraw/zinc/34/13/36/1003341336.db2.gz ZOSWILATTAAMPE-XXBNENTESA-N 2 1 412.553 3.734 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000500109756 1003472515 /nfs/dbraw/zinc/47/25/15/1003472515.db2.gz IWIFLAGTAMZMHY-REHUZNOOSA-N 2 1 421.589 3.569 20 0 HHADMP C[C@H]([NH2+]CCCN1CCN(c2ccccc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000509020030 1003492146 /nfs/dbraw/zinc/49/21/46/1003492146.db2.gz BHIOQPYHARNIQS-ZCYQVOJMSA-N 2 1 406.618 3.699 20 0 HHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000509030061 1003500600 /nfs/dbraw/zinc/50/06/00/1003500600.db2.gz HHDAYWVVWWSMQI-RXVVDRJESA-N 2 1 407.002 3.850 20 0 HHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccc4c(c3)OCCO4)CC2)c1C ZINC000509039429 1003509063 /nfs/dbraw/zinc/50/90/63/1003509063.db2.gz PHYFTFLUEYWVDM-UHFFFAOYSA-N 2 1 411.546 3.575 20 0 HHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccc4c(c3)OCCO4)CC2)c1C ZINC000509039429 1003509073 /nfs/dbraw/zinc/50/90/73/1003509073.db2.gz PHYFTFLUEYWVDM-UHFFFAOYSA-N 2 1 411.546 3.575 20 0 HHADMP Cc1ccc(C[C@@H]2CCC[N@H+]2CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000500180512 1003529538 /nfs/dbraw/zinc/52/95/38/1003529538.db2.gz HMILWAVNKMFFIE-VWLOTQADSA-N 2 1 405.586 3.914 20 0 HHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cccc4c3OCCO4)CC2)c1C ZINC000509081150 1003538715 /nfs/dbraw/zinc/53/87/15/1003538715.db2.gz SQIQYSQYFRKAJE-UHFFFAOYSA-N 2 1 411.546 3.575 20 0 HHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cccc4c3OCCO4)CC2)c1C ZINC000509081150 1003538709 /nfs/dbraw/zinc/53/87/09/1003538709.db2.gz SQIQYSQYFRKAJE-UHFFFAOYSA-N 2 1 411.546 3.575 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cccs1 ZINC000509131926 1003575612 /nfs/dbraw/zinc/57/56/12/1003575612.db2.gz MBGOEUAMHYMKOC-CTNGQTDRSA-N 2 1 414.619 3.951 20 0 HHADMP C[C@@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cn(C)c2ccccc12 ZINC000500384982 1003681551 /nfs/dbraw/zinc/68/15/51/1003681551.db2.gz FAVHUDBCVWXPNF-HXUWFJFHSA-N 2 1 424.633 3.937 20 0 HHADMP Cc1ccc(NC(=O)c2ccc(C[NH+](C)C)cc2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000511951991 1003916622 /nfs/dbraw/zinc/91/66/22/1003916622.db2.gz IXJHPMDXSXXZNS-UHFFFAOYSA-N 2 1 408.546 3.733 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000500719441 1003919066 /nfs/dbraw/zinc/91/90/66/1003919066.db2.gz ZOCIKFPLSAABAN-OFNKIYASSA-N 2 1 421.589 3.775 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512104802 1004026366 /nfs/dbraw/zinc/02/63/66/1004026366.db2.gz JRELMPXRNLKGQM-NZQKXSOJSA-N 2 1 400.611 3.708 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512104804 1004026587 /nfs/dbraw/zinc/02/65/87/1004026587.db2.gz JRELMPXRNLKGQM-REWPJTCUSA-N 2 1 400.611 3.708 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)cc1 ZINC000512115522 1004034357 /nfs/dbraw/zinc/03/43/57/1004034357.db2.gz XNUUKMGWXHQDPN-UHFFFAOYSA-N 2 1 424.545 3.640 20 0 HHADMP O[C@H](COc1ccc(Cl)cc1)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237450 1004139078 /nfs/dbraw/zinc/13/90/78/1004139078.db2.gz RCYCFWOAPIKCSB-GMAHTHKFSA-N 2 1 400.950 3.678 20 0 HHADMP O[C@H](COc1ccc(Cl)cc1)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237450 1004139085 /nfs/dbraw/zinc/13/90/85/1004139085.db2.gz RCYCFWOAPIKCSB-GMAHTHKFSA-N 2 1 400.950 3.678 20 0 HHADMP O[C@H](COc1ccc(Cl)cc1)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512237450 1004139096 /nfs/dbraw/zinc/13/90/96/1004139096.db2.gz RCYCFWOAPIKCSB-GMAHTHKFSA-N 2 1 400.950 3.678 20 0 HHADMP O[C@H](COc1ccc(Cl)cc1)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512237450 1004139105 /nfs/dbraw/zinc/13/91/05/1004139105.db2.gz RCYCFWOAPIKCSB-GMAHTHKFSA-N 2 1 400.950 3.678 20 0 HHADMP C[N@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501037586 1004140978 /nfs/dbraw/zinc/14/09/78/1004140978.db2.gz HAUNYYNAFVJDOU-UHFFFAOYSA-N 2 1 406.452 3.887 20 0 HHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC000512247721 1004150245 /nfs/dbraw/zinc/15/02/45/1004150245.db2.gz AEHLCJOOMJCLCV-GOSISDBHSA-N 2 1 407.574 3.625 20 0 HHADMP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501048913 1004150298 /nfs/dbraw/zinc/15/02/98/1004150298.db2.gz IKLBDEHYYGDUML-QGZVFWFLSA-N 2 1 416.516 3.728 20 0 HHADMP C[N@@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501050657 1004152747 /nfs/dbraw/zinc/15/27/47/1004152747.db2.gz DYQXROJKMKFFRH-LJQANCHMSA-N 2 1 424.372 3.977 20 0 HHADMP CC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000512264975 1004166511 /nfs/dbraw/zinc/16/65/11/1004166511.db2.gz WYZMWCDBFRXFQP-RUZDIDTESA-N 2 1 405.542 3.816 20 0 HHADMP CC(=O)c1ccc(NC(=O)CC[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000512264975 1004166516 /nfs/dbraw/zinc/16/65/16/1004166516.db2.gz WYZMWCDBFRXFQP-RUZDIDTESA-N 2 1 405.542 3.816 20 0 HHADMP CC(=O)c1ccc(NC(=O)CC[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000512264975 1004166523 /nfs/dbraw/zinc/16/65/23/1004166523.db2.gz WYZMWCDBFRXFQP-RUZDIDTESA-N 2 1 405.542 3.816 20 0 HHADMP CC(=O)c1ccc(NC(=O)CC[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000512264975 1004166532 /nfs/dbraw/zinc/16/65/32/1004166532.db2.gz WYZMWCDBFRXFQP-RUZDIDTESA-N 2 1 405.542 3.816 20 0 HHADMP O[C@H](COc1cccc2[nH]ccc21)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512271602 1004172047 /nfs/dbraw/zinc/17/20/47/1004172047.db2.gz UWMZRXQSZYVOHY-SQJMNOBHSA-N 2 1 405.542 3.506 20 0 HHADMP O[C@H](COc1cccc2[nH]ccc21)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512271602 1004172054 /nfs/dbraw/zinc/17/20/54/1004172054.db2.gz UWMZRXQSZYVOHY-SQJMNOBHSA-N 2 1 405.542 3.506 20 0 HHADMP O[C@H](COc1cccc2[nH]ccc21)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512271602 1004172063 /nfs/dbraw/zinc/17/20/63/1004172063.db2.gz UWMZRXQSZYVOHY-SQJMNOBHSA-N 2 1 405.542 3.506 20 0 HHADMP O[C@H](COc1cccc2[nH]ccc21)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512271602 1004172071 /nfs/dbraw/zinc/17/20/71/1004172071.db2.gz UWMZRXQSZYVOHY-SQJMNOBHSA-N 2 1 405.542 3.506 20 0 HHADMP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501087631 1004193496 /nfs/dbraw/zinc/19/34/96/1004193496.db2.gz MJZXVFGPWKZGNN-QGZVFWFLSA-N 2 1 400.954 3.588 20 0 HHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@@H]2CCc3ccccc3C2)CC1 ZINC000512315026 1004210410 /nfs/dbraw/zinc/21/04/10/1004210410.db2.gz RJXRKRHKZLMFSM-RUZDIDTESA-N 2 1 405.586 3.519 20 0 HHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@@H]2CCc3ccccc3C2)CC1 ZINC000512315026 1004210412 /nfs/dbraw/zinc/21/04/12/1004210412.db2.gz RJXRKRHKZLMFSM-RUZDIDTESA-N 2 1 405.586 3.519 20 0 HHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@@H]2CCc3ccccc3C2)CC1 ZINC000512315026 1004210423 /nfs/dbraw/zinc/21/04/23/1004210423.db2.gz RJXRKRHKZLMFSM-RUZDIDTESA-N 2 1 405.586 3.519 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C[NH+]1Cc1ccccc1 ZINC000512393809 1004267169 /nfs/dbraw/zinc/26/71/69/1004267169.db2.gz VYNVOJOFMCWRGE-YMPZKCBVSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C[N@@H+]1Cc1ccccc1 ZINC000512393809 1004267179 /nfs/dbraw/zinc/26/71/79/1004267179.db2.gz VYNVOJOFMCWRGE-YMPZKCBVSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C[N@H+]1Cc1ccccc1 ZINC000512393809 1004267190 /nfs/dbraw/zinc/26/71/90/1004267190.db2.gz VYNVOJOFMCWRGE-YMPZKCBVSA-N 2 1 400.611 3.803 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000512402963 1004273624 /nfs/dbraw/zinc/27/36/24/1004273624.db2.gz BCDUYDFVQKISHX-RLBLXZPPSA-N 2 1 400.611 3.659 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000512402963 1004273635 /nfs/dbraw/zinc/27/36/35/1004273635.db2.gz BCDUYDFVQKISHX-RLBLXZPPSA-N 2 1 400.611 3.659 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000512402963 1004273641 /nfs/dbraw/zinc/27/36/41/1004273641.db2.gz BCDUYDFVQKISHX-RLBLXZPPSA-N 2 1 400.611 3.659 20 0 HHADMP C[C@H]1C[C@H](CCNC(=O)N2CCC([NH+]3CCCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000512407531 1004276073 /nfs/dbraw/zinc/27/60/73/1004276073.db2.gz WGHXOGZWYFMWON-GMAHTHKFSA-N 2 1 412.622 3.947 20 0 HHADMP c1ccc(CCOCCC[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512420591 1004286344 /nfs/dbraw/zinc/28/63/44/1004286344.db2.gz LXEATYPKISZVQS-AREMUKBSSA-N 2 1 407.602 3.528 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000501386037 1004382096 /nfs/dbraw/zinc/38/20/96/1004382096.db2.gz OSAKFSIFBSQEAN-ZNDGRNAPSA-N 2 1 420.601 3.859 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501386037 1004382103 /nfs/dbraw/zinc/38/21/03/1004382103.db2.gz OSAKFSIFBSQEAN-ZNDGRNAPSA-N 2 1 420.601 3.859 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501386037 1004382107 /nfs/dbraw/zinc/38/21/07/1004382107.db2.gz OSAKFSIFBSQEAN-ZNDGRNAPSA-N 2 1 420.601 3.859 20 0 HHADMP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501393195 1004388415 /nfs/dbraw/zinc/38/84/15/1004388415.db2.gz PDADTNJXFYERAH-FYYLOGMGSA-N 2 1 400.611 3.805 20 0 HHADMP C[N@H+](CCOc1cccc(Cl)c1)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000501402930 1004394836 /nfs/dbraw/zinc/39/48/36/1004394836.db2.gz CBLNVZHQSGLMSI-UHFFFAOYSA-N 2 1 415.965 3.563 20 0 HHADMP C[N@@H+](CCOc1cccc(Cl)c1)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000501402930 1004394845 /nfs/dbraw/zinc/39/48/45/1004394845.db2.gz CBLNVZHQSGLMSI-UHFFFAOYSA-N 2 1 415.965 3.563 20 0 HHADMP C[N@@H+](CCCNC(=O)N1CCC[NH+](CCCc2ccccc2)CC1)Cc1ccccc1 ZINC000510227276 1004408383 /nfs/dbraw/zinc/40/83/83/1004408383.db2.gz HQJSGYNSYHSQHS-UHFFFAOYSA-N 2 1 422.617 3.859 20 0 HHADMP C[NH+](CCCNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)Cc1ccccc1 ZINC000510227276 1004408388 /nfs/dbraw/zinc/40/83/88/1004408388.db2.gz HQJSGYNSYHSQHS-UHFFFAOYSA-N 2 1 422.617 3.859 20 0 HHADMP C[NH+](CCCNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)Cc1ccccc1 ZINC000510227276 1004408394 /nfs/dbraw/zinc/40/83/94/1004408394.db2.gz HQJSGYNSYHSQHS-UHFFFAOYSA-N 2 1 422.617 3.859 20 0 HHADMP O=C(NCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1Cl ZINC000512621626 1004435229 /nfs/dbraw/zinc/43/52/29/1004435229.db2.gz ZXMBMPZFAXLRMX-IEIRFRATSA-N 2 1 411.977 3.960 20 0 HHADMP Cc1cc(N2CCC([NH2+]Cc3c(F)ccc(Br)c3F)CC2)nc(C)[nH+]1 ZINC000501470783 1004445352 /nfs/dbraw/zinc/44/53/52/1004445352.db2.gz ZBYIVLNJZDIMOB-UHFFFAOYSA-N 2 1 411.294 3.893 20 0 HHADMP CS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512633943 1004446055 /nfs/dbraw/zinc/44/60/55/1004446055.db2.gz BFWIGWLPMRKTKZ-QPTUXGOLSA-N 2 1 412.599 3.622 20 0 HHADMP CS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512633943 1004446062 /nfs/dbraw/zinc/44/60/62/1004446062.db2.gz BFWIGWLPMRKTKZ-QPTUXGOLSA-N 2 1 412.599 3.622 20 0 HHADMP CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512648998 1004460239 /nfs/dbraw/zinc/46/02/39/1004460239.db2.gz PXGXUMGCMRXXMB-IEZKXTBUSA-N 2 1 407.558 3.914 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NCC4([NH+]5CCCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000512661173 1004471865 /nfs/dbraw/zinc/47/18/65/1004471865.db2.gz QFYNDDHECLMNKS-ISJGIBHGSA-N 2 1 411.634 3.912 20 0 HHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC4(N5CCCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000512661173 1004471870 /nfs/dbraw/zinc/47/18/70/1004471870.db2.gz QFYNDDHECLMNKS-ISJGIBHGSA-N 2 1 411.634 3.912 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC4(N5CCCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000512661173 1004471879 /nfs/dbraw/zinc/47/18/79/1004471879.db2.gz QFYNDDHECLMNKS-ISJGIBHGSA-N 2 1 411.634 3.912 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)NC2CC[NH+](C3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000510345316 1004496927 /nfs/dbraw/zinc/49/69/27/1004496927.db2.gz ZBYXZLFTEPYIGQ-IFMALSPDSA-N 2 1 412.622 3.993 20 0 HHADMP C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501534267 1004497674 /nfs/dbraw/zinc/49/76/74/1004497674.db2.gz CTXOECNLZOABMX-PMACEKPBSA-N 2 1 406.574 3.986 20 0 HHADMP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512693163 1004499123 /nfs/dbraw/zinc/49/91/23/1004499123.db2.gz HKRGDGYUIVFUFX-ROUUACIJSA-N 2 1 422.564 3.691 20 0 HHADMP C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000512698706 1004503161 /nfs/dbraw/zinc/50/31/61/1004503161.db2.gz KWOSZMDBVRDTNK-FUDKSRODSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@H](NC(=O)N1CCC[NH+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512698706 1004503169 /nfs/dbraw/zinc/50/31/69/1004503169.db2.gz KWOSZMDBVRDTNK-FUDKSRODSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@H](NC(=O)N1CCC[NH+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512698706 1004503175 /nfs/dbraw/zinc/50/31/75/1004503175.db2.gz KWOSZMDBVRDTNK-FUDKSRODSA-N 2 1 412.622 3.945 20 0 HHADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000501606601 1004548413 /nfs/dbraw/zinc/54/84/13/1004548413.db2.gz MCAZYHBJIAKEJB-DEOSSOPVSA-N 2 1 406.574 3.811 20 0 HHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000512810679 1004572912 /nfs/dbraw/zinc/57/29/12/1004572912.db2.gz VGHVQVZXCZZFGP-PKOBYXMFSA-N 2 1 403.368 3.968 20 0 HHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000512810679 1004572918 /nfs/dbraw/zinc/57/29/18/1004572918.db2.gz VGHVQVZXCZZFGP-PKOBYXMFSA-N 2 1 403.368 3.968 20 0 HHADMP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512847109 1004609749 /nfs/dbraw/zinc/60/97/49/1004609749.db2.gz SWCSUPMLXZHRNY-IBGZPJMESA-N 2 1 414.516 3.509 20 0 HHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000510509485 1004631943 /nfs/dbraw/zinc/63/19/43/1004631943.db2.gz DLBLHANNDOCWJR-SIKLNZKXSA-N 2 1 400.611 3.981 20 0 HHADMP C[NH+](C)Cc1cc(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)ccc1F ZINC000512921528 1004694483 /nfs/dbraw/zinc/69/44/83/1004694483.db2.gz POZBDKIPDJKYES-HXUWFJFHSA-N 2 1 419.491 3.661 20 0 HHADMP C[C@H](NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510595651 1004741702 /nfs/dbraw/zinc/74/17/02/1004741702.db2.gz GQSAZKBNZVSIED-VMDDHHINSA-N 2 1 404.643 3.982 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)N2CCSc3ccccc32)CC1 ZINC000501804425 1004746175 /nfs/dbraw/zinc/74/61/75/1004746175.db2.gz KSGMCFBPCISXCH-LJQANCHMSA-N 2 1 419.635 3.584 20 0 HHADMP C[C@H](NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000501857970 1004780567 /nfs/dbraw/zinc/78/05/67/1004780567.db2.gz MFHVPRGOCPXOIJ-RZPFDVGOSA-N 2 1 424.633 3.947 20 0 HHADMP C[C@H](NC(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501857970 1004780575 /nfs/dbraw/zinc/78/05/75/1004780575.db2.gz MFHVPRGOCPXOIJ-RZPFDVGOSA-N 2 1 424.633 3.947 20 0 HHADMP C[C@H](NC(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000501857970 1004780583 /nfs/dbraw/zinc/78/05/83/1004780583.db2.gz MFHVPRGOCPXOIJ-RZPFDVGOSA-N 2 1 424.633 3.947 20 0 HHADMP O[C@]1(C[NH2+][C@@H]2CCc3ccc(Br)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000510693492 1004801712 /nfs/dbraw/zinc/80/17/12/1004801712.db2.gz AZTFIWGYANLMGN-RTWAWAEBSA-N 2 1 401.348 3.663 20 0 HHADMP O[C@]1(C[NH2+][C@@H]2CCc3ccc(Br)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000510693492 1004801718 /nfs/dbraw/zinc/80/17/18/1004801718.db2.gz AZTFIWGYANLMGN-RTWAWAEBSA-N 2 1 401.348 3.663 20 0 HHADMP O[C@@]1(C[NH2+][C@@H]2CCc3ccc(Br)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000510693491 1004801839 /nfs/dbraw/zinc/80/18/39/1004801839.db2.gz AZTFIWGYANLMGN-NHCUHLMSSA-N 2 1 401.348 3.663 20 0 HHADMP O[C@@]1(C[NH2+][C@@H]2CCc3ccc(Br)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000510693491 1004801844 /nfs/dbraw/zinc/80/18/44/1004801844.db2.gz AZTFIWGYANLMGN-NHCUHLMSSA-N 2 1 401.348 3.663 20 0 HHADMP C[NH+](C)CCc1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC000510840551 1004885394 /nfs/dbraw/zinc/88/53/94/1004885394.db2.gz GAVKNYNPWHIWJQ-OAQYLSRUSA-N 2 1 401.501 3.887 20 0 HHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(Oc4cc(F)cc(F)c4)cc3)C2)CC1 ZINC000513460980 1004976488 /nfs/dbraw/zinc/97/64/88/1004976488.db2.gz JBTNJELJONHWML-OAQYLSRUSA-N 2 1 401.501 3.969 20 0 HHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000511055385 1004999773 /nfs/dbraw/zinc/99/97/73/1004999773.db2.gz YRGPYLKVQNYBPQ-NRFANRHFSA-N 2 1 401.507 3.503 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C[C@H](C)O1 ZINC000511166649 1005054736 /nfs/dbraw/zinc/05/47/36/1005054736.db2.gz DJAXMBTXBVNVJA-BKSPAHHJSA-N 2 1 421.585 3.577 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C[C@H](C)O1 ZINC000511166649 1005054741 /nfs/dbraw/zinc/05/47/41/1005054741.db2.gz DJAXMBTXBVNVJA-BKSPAHHJSA-N 2 1 421.585 3.577 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C[C@H](C)O1 ZINC000511166649 1005054747 /nfs/dbraw/zinc/05/47/47/1005054747.db2.gz DJAXMBTXBVNVJA-BKSPAHHJSA-N 2 1 421.585 3.577 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C[C@H](C)O1 ZINC000511166649 1005054753 /nfs/dbraw/zinc/05/47/53/1005054753.db2.gz DJAXMBTXBVNVJA-BKSPAHHJSA-N 2 1 421.585 3.577 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc(-c4ccncc4)c3)CC2)CC1 ZINC000513647608 1005065502 /nfs/dbraw/zinc/06/55/02/1005065502.db2.gz KTZZZNWIQCTEMM-UHFFFAOYSA-N 2 1 406.574 3.515 20 0 HHADMP CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)cc1 ZINC000513667726 1005074617 /nfs/dbraw/zinc/07/46/17/1005074617.db2.gz WCDWAZWECIQMCO-UHFFFAOYSA-N 2 1 409.574 3.910 20 0 HHADMP C[C@H](NC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511230632 1005083277 /nfs/dbraw/zinc/08/32/77/1005083277.db2.gz RUZXEELCWCGPSC-FJIJXJHWSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@H](NC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511230632 1005083282 /nfs/dbraw/zinc/08/32/82/1005083282.db2.gz RUZXEELCWCGPSC-FJIJXJHWSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@H](NC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511230632 1005083288 /nfs/dbraw/zinc/08/32/88/1005083288.db2.gz RUZXEELCWCGPSC-FJIJXJHWSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@H](NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511246666 1005089664 /nfs/dbraw/zinc/08/96/64/1005089664.db2.gz HHMZEYIESWTZBK-CIAFKFPVSA-N 2 1 404.643 3.935 20 0 HHADMP C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511246666 1005089668 /nfs/dbraw/zinc/08/96/68/1005089668.db2.gz HHMZEYIESWTZBK-CIAFKFPVSA-N 2 1 404.643 3.935 20 0 HHADMP C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511246666 1005089672 /nfs/dbraw/zinc/08/96/72/1005089672.db2.gz HHMZEYIESWTZBK-CIAFKFPVSA-N 2 1 404.643 3.935 20 0 HHADMP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000511253641 1005093421 /nfs/dbraw/zinc/09/34/21/1005093421.db2.gz WPGGXNAQJDFYEK-WOJBJXKFSA-N 2 1 413.610 3.603 20 0 HHADMP C[C@H](NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511268192 1005099638 /nfs/dbraw/zinc/09/96/38/1005099638.db2.gz VOWKIQITSHKIMH-PZJWPPBQSA-N 2 1 413.610 3.592 20 0 HHADMP Cc1cc(-c2noc([C@H](C)[NH+]3CCC(CC[NH+]4CCOCC4)CC3)n2)ccc1F ZINC000513821532 1005145125 /nfs/dbraw/zinc/14/51/25/1005145125.db2.gz KKIUJZCRGVYCTK-KRWDZBQOSA-N 2 1 402.514 3.679 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cnn(C2CCCC2)c1 ZINC000502680496 1005177587 /nfs/dbraw/zinc/17/75/87/1005177587.db2.gz AOAGUDFHIRGHSG-WIYYLYMNSA-N 2 1 409.578 3.546 20 0 HHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000511520559 1005209318 /nfs/dbraw/zinc/20/93/18/1005209318.db2.gz LXULMQOKPBRTCY-QHCPKHFHSA-N 2 1 412.622 3.993 20 0 HHADMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000514008841 1005225859 /nfs/dbraw/zinc/22/58/59/1005225859.db2.gz SPQHXRAHZDTFFR-UHFFFAOYSA-N 2 1 400.336 3.721 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000502829071 1005235630 /nfs/dbraw/zinc/23/56/30/1005235630.db2.gz PVEPKWSZWMDKCZ-FUPPJEDESA-N 2 1 400.611 3.708 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000502829071 1005235634 /nfs/dbraw/zinc/23/56/34/1005235634.db2.gz PVEPKWSZWMDKCZ-FUPPJEDESA-N 2 1 400.611 3.708 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000502829071 1005235640 /nfs/dbraw/zinc/23/56/40/1005235640.db2.gz PVEPKWSZWMDKCZ-FUPPJEDESA-N 2 1 400.611 3.708 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+]1CCCC1 ZINC000502840484 1005239931 /nfs/dbraw/zinc/23/99/31/1005239931.db2.gz HATVEBBLHSYZHK-IFMALSPDSA-N 2 1 416.610 3.786 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+]1CCCC1 ZINC000502840487 1005240006 /nfs/dbraw/zinc/24/00/06/1005240006.db2.gz HATVEBBLHSYZHK-IRLDBZIGSA-N 2 1 416.610 3.786 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000514110341 1005270080 /nfs/dbraw/zinc/27/00/80/1005270080.db2.gz CSAILVJYNNHGPI-SRUXOGRHSA-N 2 1 400.611 3.879 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000514110341 1005270082 /nfs/dbraw/zinc/27/00/82/1005270082.db2.gz CSAILVJYNNHGPI-SRUXOGRHSA-N 2 1 400.611 3.879 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000514110341 1005270083 /nfs/dbraw/zinc/27/00/83/1005270083.db2.gz CSAILVJYNNHGPI-SRUXOGRHSA-N 2 1 400.611 3.879 20 0 HHADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000502966525 1005295834 /nfs/dbraw/zinc/29/58/34/1005295834.db2.gz VEJPZONZDNVUCD-SXWKCWPCSA-N 2 1 401.595 3.680 20 0 HHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000502966525 1005295839 /nfs/dbraw/zinc/29/58/39/1005295839.db2.gz VEJPZONZDNVUCD-SXWKCWPCSA-N 2 1 401.595 3.680 20 0 HHADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000502966526 1005295937 /nfs/dbraw/zinc/29/59/37/1005295937.db2.gz VEJPZONZDNVUCD-TXTKFYIRSA-N 2 1 401.595 3.680 20 0 HHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000502966526 1005295941 /nfs/dbraw/zinc/29/59/41/1005295941.db2.gz VEJPZONZDNVUCD-TXTKFYIRSA-N 2 1 401.595 3.680 20 0 HHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000503049952 1005327486 /nfs/dbraw/zinc/32/74/86/1005327486.db2.gz CDYXUBVXZWXURH-DEOSSOPVSA-N 2 1 408.521 3.901 20 0 HHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000503049952 1005327488 /nfs/dbraw/zinc/32/74/88/1005327488.db2.gz CDYXUBVXZWXURH-DEOSSOPVSA-N 2 1 408.521 3.901 20 0 HHADMP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000503052406 1005328852 /nfs/dbraw/zinc/32/88/52/1005328852.db2.gz KZALHNZCFZMBLE-RUZDIDTESA-N 2 1 407.602 3.895 20 0 HHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000503066843 1005335639 /nfs/dbraw/zinc/33/56/39/1005335639.db2.gz DAUXUSDJPPOUPD-KRWDZBQOSA-N 2 1 400.592 3.535 20 0 HHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000503066843 1005335643 /nfs/dbraw/zinc/33/56/43/1005335643.db2.gz DAUXUSDJPPOUPD-KRWDZBQOSA-N 2 1 400.592 3.535 20 0 HHADMP CC(C)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000503200427 1005367180 /nfs/dbraw/zinc/36/71/80/1005367180.db2.gz VHHPFCWJYRMNCP-DNQXCXABSA-N 2 1 414.638 3.607 20 0 HHADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000503504854 1005439361 /nfs/dbraw/zinc/43/93/61/1005439361.db2.gz RXSZDTPGWWGBER-XZOQPEGZSA-N 2 1 424.589 3.670 20 0 HHADMP O=C(C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N[C@@H]1CCOc2ccccc21 ZINC000503888724 1005505388 /nfs/dbraw/zinc/50/53/88/1005505388.db2.gz BOWZYKSWYRSFEO-GNLZIIPMSA-N 2 1 419.569 3.517 20 0 HHADMP C[NH+]1CCN(c2ncc(C[NH2+]C3(c4ccc(C(F)(F)F)cc4)CCCC3)cn2)CC1 ZINC000503951893 1005518186 /nfs/dbraw/zinc/51/81/86/1005518186.db2.gz LJAVLMGENMQGPL-UHFFFAOYSA-N 2 1 419.495 3.806 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000504174515 1005566777 /nfs/dbraw/zinc/56/67/77/1005566777.db2.gz AEOFQZMZCHSEKT-XUZZJYLKSA-N 2 1 406.574 3.739 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000504174515 1005566781 /nfs/dbraw/zinc/56/67/81/1005566781.db2.gz AEOFQZMZCHSEKT-XUZZJYLKSA-N 2 1 406.574 3.739 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000504174515 1005566785 /nfs/dbraw/zinc/56/67/85/1005566785.db2.gz AEOFQZMZCHSEKT-XUZZJYLKSA-N 2 1 406.574 3.739 20 0 HHADMP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000504352048 1005604545 /nfs/dbraw/zinc/60/45/45/1005604545.db2.gz QJLVXWDFBBIEPQ-BJKOFHAPSA-N 2 1 418.585 3.730 20 0 HHADMP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000504352048 1005604546 /nfs/dbraw/zinc/60/45/46/1005604546.db2.gz QJLVXWDFBBIEPQ-BJKOFHAPSA-N 2 1 418.585 3.730 20 0 HHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccccn2)cc1 ZINC000504435131 1005628198 /nfs/dbraw/zinc/62/81/98/1005628198.db2.gz HKUJTAUFHPWOHB-NRFANRHFSA-N 2 1 423.605 3.729 20 0 HHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br ZINC000534058114 1006029809 /nfs/dbraw/zinc/02/98/09/1006029809.db2.gz PWJJPQHDFPLCCK-KBXCAEBGSA-N 2 1 401.776 3.916 20 0 HHADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccc3c(c2)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000531188784 1006034604 /nfs/dbraw/zinc/03/46/04/1006034604.db2.gz BHGZDZILAHUUME-GHTZIAJQSA-N 2 1 409.530 3.729 20 0 HHADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccc3c(c2)OCO3)CC[N@H+]1Cc1ccccc1 ZINC000531188784 1006034619 /nfs/dbraw/zinc/03/46/19/1006034619.db2.gz BHGZDZILAHUUME-GHTZIAJQSA-N 2 1 409.530 3.729 20 0 HHADMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccc3c(c2)OCO3)CC[NH+]1Cc1ccccc1 ZINC000531188784 1006034634 /nfs/dbraw/zinc/03/46/34/1006034634.db2.gz BHGZDZILAHUUME-GHTZIAJQSA-N 2 1 409.530 3.729 20 0 HHADMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccc3c(c2)OCO3)CC[NH+]1Cc1ccccc1 ZINC000531188784 1006034647 /nfs/dbraw/zinc/03/46/47/1006034647.db2.gz BHGZDZILAHUUME-GHTZIAJQSA-N 2 1 409.530 3.729 20 0 HHADMP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000534110259 1006085622 /nfs/dbraw/zinc/08/56/22/1006085622.db2.gz NRDGDUDYNNNFDM-SFTDATJTSA-N 2 1 407.002 3.847 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000534110259 1006085629 /nfs/dbraw/zinc/08/56/29/1006085629.db2.gz NRDGDUDYNNNFDM-SFTDATJTSA-N 2 1 407.002 3.847 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000534110259 1006085646 /nfs/dbraw/zinc/08/56/46/1006085646.db2.gz NRDGDUDYNNNFDM-SFTDATJTSA-N 2 1 407.002 3.847 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000534110259 1006085659 /nfs/dbraw/zinc/08/56/59/1006085659.db2.gz NRDGDUDYNNNFDM-SFTDATJTSA-N 2 1 407.002 3.847 20 0 HHADMP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000531296837 1006101068 /nfs/dbraw/zinc/10/10/68/1006101068.db2.gz ZJAQWJJVUANZQQ-VWLOTQADSA-N 2 1 405.586 3.879 20 0 HHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000531296837 1006101071 /nfs/dbraw/zinc/10/10/71/1006101071.db2.gz ZJAQWJJVUANZQQ-VWLOTQADSA-N 2 1 405.586 3.879 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534249340 1006256235 /nfs/dbraw/zinc/25/62/35/1006256235.db2.gz CYKDAIBWZORHQB-GHTZIAJQSA-N 2 1 424.992 3.893 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccc(Cl)c(F)c1 ZINC000534329342 1006301975 /nfs/dbraw/zinc/30/19/75/1006301975.db2.gz LOAHUFKTTVDJIL-INIZCTEOSA-N 2 1 419.928 3.991 20 0 HHADMP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000531721237 1006378108 /nfs/dbraw/zinc/37/81/08/1006378108.db2.gz QFQAUGQIOXCBLB-NBGIEHNGSA-N 2 1 409.574 3.754 20 0 HHADMP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000531721237 1006378112 /nfs/dbraw/zinc/37/81/12/1006378112.db2.gz QFQAUGQIOXCBLB-NBGIEHNGSA-N 2 1 409.574 3.754 20 0 HHADMP COc1ccc([C@H](CNC(=O)NCCC[N@H+]2CCCC[C@H]2C)[NH+]2CCCCC2)cc1 ZINC000515292637 1006381286 /nfs/dbraw/zinc/38/12/86/1006381286.db2.gz MULKIAPBVYUGGJ-OFNKIYASSA-N 2 1 416.610 3.786 20 0 HHADMP CCOC(=O)c1sc2nc(C[NH+](C)C)nc(NCC3([NH+](C)C)CCCC3)c2c1C ZINC000515546093 1006526662 /nfs/dbraw/zinc/52/66/62/1006526662.db2.gz IGDSCLWEDGEERC-UHFFFAOYSA-N 2 1 419.595 3.524 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000531958270 1006546313 /nfs/dbraw/zinc/54/63/13/1006546313.db2.gz ZPFSIJJLMNJYQS-IAGOWNOFSA-N 2 1 412.559 3.843 20 0 HHADMP Cc1cc(Cl)cc(C)c1C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000534561042 1006551685 /nfs/dbraw/zinc/55/16/85/1006551685.db2.gz NOELTJPZWQQPIX-UHFFFAOYSA-N 2 1 415.965 3.907 20 0 HHADMP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531979334 1006557319 /nfs/dbraw/zinc/55/73/19/1006557319.db2.gz AXPIHQMMIVMWKS-WZONZLPQSA-N 2 1 415.965 3.592 20 0 HHADMP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531979334 1006557328 /nfs/dbraw/zinc/55/73/28/1006557328.db2.gz AXPIHQMMIVMWKS-WZONZLPQSA-N 2 1 415.965 3.592 20 0 HHADMP Cc1ccc(OC(F)F)c(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000532046617 1006599053 /nfs/dbraw/zinc/59/90/53/1006599053.db2.gz WPZUCNYHFYBQEN-IBGZPJMESA-N 2 1 417.500 3.584 20 0 HHADMP C[C@@H]1C[C@@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000532105699 1006638907 /nfs/dbraw/zinc/63/89/07/1006638907.db2.gz QKSWNNPUPZJJAA-ZJSXRUAMSA-N 2 1 406.618 3.970 20 0 HHADMP C[C@@H]1C[C@@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000532105699 1006638914 /nfs/dbraw/zinc/63/89/14/1006638914.db2.gz QKSWNNPUPZJJAA-ZJSXRUAMSA-N 2 1 406.618 3.970 20 0 HHADMP CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)c1 ZINC000515756367 1006645624 /nfs/dbraw/zinc/64/56/24/1006645624.db2.gz AOOXJFVFGNHCFT-MOPGFXCFSA-N 2 1 422.573 3.537 20 0 HHADMP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000532119944 1006651813 /nfs/dbraw/zinc/65/18/13/1006651813.db2.gz UCOKXIISJWRJHY-UHFFFAOYSA-N 2 1 409.983 3.700 20 0 HHADMP CC[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(OC)c(OC)c1 ZINC000532188403 1006707615 /nfs/dbraw/zinc/70/76/15/1006707615.db2.gz FCGMLKHFEBYSNP-RBUKOAKNSA-N 2 1 403.592 3.795 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000532235410 1006739902 /nfs/dbraw/zinc/73/99/02/1006739902.db2.gz FSGYKHIAPRFPLH-LQWHRVPQSA-N 2 1 401.576 3.762 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000532235410 1006739914 /nfs/dbraw/zinc/73/99/14/1006739914.db2.gz FSGYKHIAPRFPLH-LQWHRVPQSA-N 2 1 401.576 3.762 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000532235409 1006739981 /nfs/dbraw/zinc/73/99/81/1006739981.db2.gz FSGYKHIAPRFPLH-BBTUJRGHSA-N 2 1 401.576 3.762 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000532235409 1006739988 /nfs/dbraw/zinc/73/99/88/1006739988.db2.gz FSGYKHIAPRFPLH-BBTUJRGHSA-N 2 1 401.576 3.762 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000534789016 1006790138 /nfs/dbraw/zinc/79/01/38/1006790138.db2.gz FLOJTUMTCZENTL-SFTDATJTSA-N 2 1 400.954 3.646 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000534789016 1006790149 /nfs/dbraw/zinc/79/01/49/1006790149.db2.gz FLOJTUMTCZENTL-SFTDATJTSA-N 2 1 400.954 3.646 20 0 HHADMP C[C@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000538553006 1006816685 /nfs/dbraw/zinc/81/66/85/1006816685.db2.gz YJZUMQMSVZXSSO-LVXARBLLSA-N 2 1 423.601 3.765 20 0 HHADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000532442810 1006885290 /nfs/dbraw/zinc/88/52/90/1006885290.db2.gz IPRCBCLONXWORA-NQIIRXRSSA-N 2 1 412.603 3.514 20 0 HHADMP CC(=O)N1CCN(c2ccccc2C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000532488485 1006928635 /nfs/dbraw/zinc/92/86/35/1006928635.db2.gz CTKRDMVCBQUGSC-LJQANCHMSA-N 2 1 417.557 3.700 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CCC(C[NH+](C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538664641 1006944829 /nfs/dbraw/zinc/94/48/29/1006944829.db2.gz SBXBGNNGVVDIOZ-LEWJYISDSA-N 2 1 424.992 3.986 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CCC(C[NH+](C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538664641 1006944838 /nfs/dbraw/zinc/94/48/38/1006944838.db2.gz SBXBGNNGVVDIOZ-LEWJYISDSA-N 2 1 424.992 3.986 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534941582 1006981803 /nfs/dbraw/zinc/98/18/03/1006981803.db2.gz RNIMVNXRSAWZHZ-MMOPVJDHSA-N 2 1 424.992 3.749 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534941582 1006981821 /nfs/dbraw/zinc/98/18/21/1006981821.db2.gz RNIMVNXRSAWZHZ-MMOPVJDHSA-N 2 1 424.992 3.749 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534941582 1006981834 /nfs/dbraw/zinc/98/18/34/1006981834.db2.gz RNIMVNXRSAWZHZ-MMOPVJDHSA-N 2 1 424.992 3.749 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCSc3ccc(Cl)cc3)CC2)CC1 ZINC000532554617 1006986084 /nfs/dbraw/zinc/98/60/84/1006986084.db2.gz XDSDITGRWGQBRC-UHFFFAOYSA-N 2 1 410.027 3.698 20 0 HHADMP CCCCCOc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1OC ZINC000538723108 1006998104 /nfs/dbraw/zinc/99/81/04/1006998104.db2.gz JWSYAJCHUQDEQD-UNMCSNQZSA-N 2 1 403.611 3.722 20 0 HHADMP CCCCCOc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1OC ZINC000538723108 1006998121 /nfs/dbraw/zinc/99/81/21/1006998121.db2.gz JWSYAJCHUQDEQD-UNMCSNQZSA-N 2 1 403.611 3.722 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cc(F)cc(C(F)(F)F)c3)c2)C1 ZINC000532567823 1006999956 /nfs/dbraw/zinc/99/99/56/1006999956.db2.gz MPXBJYVZIONMCE-SFHVURJKSA-N 2 1 423.454 3.832 20 0 HHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000538724162 1007002061 /nfs/dbraw/zinc/00/20/61/1007002061.db2.gz WECLBENIXHONIZ-SBUREZEXSA-N 2 1 416.013 3.600 20 0 HHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000538724162 1007002076 /nfs/dbraw/zinc/00/20/76/1007002076.db2.gz WECLBENIXHONIZ-SBUREZEXSA-N 2 1 416.013 3.600 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534959558 1007006057 /nfs/dbraw/zinc/00/60/57/1007006057.db2.gz BIKPXUWCUILYMZ-BLIXFSHQSA-N 2 1 424.992 3.892 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534959558 1007006068 /nfs/dbraw/zinc/00/60/68/1007006068.db2.gz BIKPXUWCUILYMZ-BLIXFSHQSA-N 2 1 424.992 3.892 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534959558 1007006080 /nfs/dbraw/zinc/00/60/80/1007006080.db2.gz BIKPXUWCUILYMZ-BLIXFSHQSA-N 2 1 424.992 3.892 20 0 HHADMP COc1ccccc1/C=C\C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000538734866 1007016409 /nfs/dbraw/zinc/01/64/09/1007016409.db2.gz HVCUMSASIZKLDS-WQLSENKSSA-N 2 1 421.585 3.669 20 0 HHADMP COc1ccccc1N1CC[C@@H]([NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000534965502 1007017579 /nfs/dbraw/zinc/01/75/79/1007017579.db2.gz WAEFWZZUVNOJSI-HSZRJFAPSA-N 2 1 419.569 3.789 20 0 HHADMP COc1ccccc1N1CC[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000534965502 1007017592 /nfs/dbraw/zinc/01/75/92/1007017592.db2.gz WAEFWZZUVNOJSI-HSZRJFAPSA-N 2 1 419.569 3.789 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cnc(C4CCCC4)s3)c2)C1 ZINC000532616002 1007041397 /nfs/dbraw/zinc/04/13/97/1007041397.db2.gz BWOPJRNHZWSPPF-FQEVSTJZSA-N 2 1 412.603 3.788 20 0 HHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000532627869 1007050154 /nfs/dbraw/zinc/05/01/54/1007050154.db2.gz PWABMWQDQKFQLU-FCHUYYIVSA-N 2 1 402.970 3.610 20 0 HHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000538796210 1007076930 /nfs/dbraw/zinc/07/69/30/1007076930.db2.gz USOZYDAIGMJURR-CEMLEFRQSA-N 2 1 402.970 3.826 20 0 HHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000538796210 1007076943 /nfs/dbraw/zinc/07/69/43/1007076943.db2.gz USOZYDAIGMJURR-CEMLEFRQSA-N 2 1 402.970 3.826 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000516578131 1007163966 /nfs/dbraw/zinc/16/39/66/1007163966.db2.gz OOIXDRCNWYHVNC-NZQKXSOJSA-N 2 1 400.611 3.975 20 0 HHADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000516578131 1007163978 /nfs/dbraw/zinc/16/39/78/1007163978.db2.gz OOIXDRCNWYHVNC-NZQKXSOJSA-N 2 1 400.611 3.975 20 0 HHADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000516578131 1007163987 /nfs/dbraw/zinc/16/39/87/1007163987.db2.gz OOIXDRCNWYHVNC-NZQKXSOJSA-N 2 1 400.611 3.975 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000516579001 1007165687 /nfs/dbraw/zinc/16/56/87/1007165687.db2.gz FLKUGAYFPLNOKE-CYFREDJKSA-N 2 1 424.564 3.925 20 0 HHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000516608604 1007189956 /nfs/dbraw/zinc/18/99/56/1007189956.db2.gz LNIAMYQRLMBGGZ-FQEVSTJZSA-N 2 1 400.611 3.503 20 0 HHADMP CCC1(CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000532813323 1007198896 /nfs/dbraw/zinc/19/88/96/1007198896.db2.gz CRTDCBUGZLYLIS-IRLDBZIGSA-N 2 1 400.611 3.660 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000535178785 1007224830 /nfs/dbraw/zinc/22/48/30/1007224830.db2.gz MYHYCBVSCYACRJ-QHCPKHFHSA-N 2 1 424.589 3.785 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000535178785 1007224837 /nfs/dbraw/zinc/22/48/37/1007224837.db2.gz MYHYCBVSCYACRJ-QHCPKHFHSA-N 2 1 424.589 3.785 20 0 HHADMP C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538943472 1007227288 /nfs/dbraw/zinc/22/72/88/1007227288.db2.gz MZVZSPJDPMSEPV-INIZCTEOSA-N 2 1 402.489 3.925 20 0 HHADMP COc1ccccc1[C@@H](C)N(C)C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538944851 1007229409 /nfs/dbraw/zinc/22/94/09/1007229409.db2.gz AEIBKPXBPQRBRB-HXUWFJFHSA-N 2 1 424.589 3.848 20 0 HHADMP Cc1cc2ncc([C@H](C)[NH2+]Cc3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)c(C)n2n1 ZINC000538986443 1007281454 /nfs/dbraw/zinc/28/14/54/1007281454.db2.gz WTRYTYILLBTLKC-OTWHNJEPSA-N 2 1 407.562 3.806 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000532949553 1007319706 /nfs/dbraw/zinc/31/97/06/1007319706.db2.gz CDODHWHPUOZFOQ-FQEVSTJZSA-N 2 1 411.594 3.868 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000532949553 1007319719 /nfs/dbraw/zinc/31/97/19/1007319719.db2.gz CDODHWHPUOZFOQ-FQEVSTJZSA-N 2 1 411.594 3.868 20 0 HHADMP COc1ccc2c(c1)CCC[N@@H+]([C@@H](C)C(=O)NC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000532949645 1007320532 /nfs/dbraw/zinc/32/05/32/1007320532.db2.gz NQKNMQJHDPGZLR-FQEVSTJZSA-N 2 1 421.585 3.613 20 0 HHADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000539062472 1007355592 /nfs/dbraw/zinc/35/55/92/1007355592.db2.gz XOUXPIMHUZZEOX-IPMKNSEASA-N 2 1 409.368 3.630 20 0 HHADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c3cccc4ccccc43)C2)CC1 ZINC000532986593 1007357194 /nfs/dbraw/zinc/35/71/94/1007357194.db2.gz FYULQXUKZDEANX-FUDKSRODSA-N 2 1 422.617 3.506 20 0 HHADMP Clc1ccc(C[NH+]2CCC(NCC3([NH+]4CCCCC4)CCOCC3)CC2)cc1 ZINC000539075645 1007367445 /nfs/dbraw/zinc/36/74/45/1007367445.db2.gz CAYKAVKKMMYZFQ-UHFFFAOYSA-N 2 1 406.014 3.929 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000539088026 1007376934 /nfs/dbraw/zinc/37/69/34/1007376934.db2.gz YJYSDYQHRKCNFS-WAKWQXKPSA-N 2 1 403.570 3.786 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000539088026 1007376946 /nfs/dbraw/zinc/37/69/46/1007376946.db2.gz YJYSDYQHRKCNFS-WAKWQXKPSA-N 2 1 403.570 3.786 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC000535338799 1007390496 /nfs/dbraw/zinc/39/04/96/1007390496.db2.gz DKRNSFOGQFAEBU-BJKOFHAPSA-N 2 1 406.574 3.917 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000533048074 1007409285 /nfs/dbraw/zinc/40/92/85/1007409285.db2.gz QUDKACVFSGZSQX-GBXCKJPGSA-N 2 1 406.574 3.778 20 0 HHADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1nc2ccc(Cl)cc2n1C ZINC000539161356 1007460907 /nfs/dbraw/zinc/46/09/07/1007460907.db2.gz MNTYIJRMUIDZLG-KXBFYZLASA-N 2 1 418.010 3.928 20 0 HHADMP C[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CCC[NH+](C)[C@H]2c2cccs2)[C@@H]1c1ccccc1 ZINC000535399051 1007464706 /nfs/dbraw/zinc/46/47/06/1007464706.db2.gz UZMIPCXSXSSPDV-KRXUUXHPSA-N 2 1 412.603 3.876 20 0 HHADMP C[NH+]1CC[C@@H](NC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)[C@@H]1c1ccccc1 ZINC000535399051 1007464719 /nfs/dbraw/zinc/46/47/19/1007464719.db2.gz UZMIPCXSXSSPDV-KRXUUXHPSA-N 2 1 412.603 3.876 20 0 HHADMP C[NH+]1CC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[C@@H]1c1ccccc1 ZINC000535399051 1007464732 /nfs/dbraw/zinc/46/47/32/1007464732.db2.gz UZMIPCXSXSSPDV-KRXUUXHPSA-N 2 1 412.603 3.876 20 0 HHADMP C[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)[C@@H]1c1ccccc1 ZINC000535399053 1007465093 /nfs/dbraw/zinc/46/50/93/1007465093.db2.gz UZMIPCXSXSSPDV-WKDRNLAYSA-N 2 1 412.603 3.876 20 0 HHADMP C[NH+]1CC[C@@H](NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[C@@H]1c1ccccc1 ZINC000535399053 1007465103 /nfs/dbraw/zinc/46/51/03/1007465103.db2.gz UZMIPCXSXSSPDV-WKDRNLAYSA-N 2 1 412.603 3.876 20 0 HHADMP C[NH+]1CC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[C@@H]1c1ccccc1 ZINC000535399053 1007465115 /nfs/dbraw/zinc/46/51/15/1007465115.db2.gz UZMIPCXSXSSPDV-WKDRNLAYSA-N 2 1 412.603 3.876 20 0 HHADMP Cc1sc2nc([C@@H](C)N3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)nc(N)c2c1C ZINC000539197491 1007494527 /nfs/dbraw/zinc/49/45/27/1007494527.db2.gz JQBKGCANYMWUOQ-IJEWVQPXSA-N 2 1 417.623 3.773 20 0 HHADMP Cc1sc2nc([C@@H](C)[NH+]3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)nc(N)c2c1C ZINC000539197491 1007494532 /nfs/dbraw/zinc/49/45/32/1007494532.db2.gz JQBKGCANYMWUOQ-IJEWVQPXSA-N 2 1 417.623 3.773 20 0 HHADMP Cc1sc2nc([C@@H](C)[NH+]3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)nc(N)c2c1C ZINC000539197491 1007494535 /nfs/dbraw/zinc/49/45/35/1007494535.db2.gz JQBKGCANYMWUOQ-IJEWVQPXSA-N 2 1 417.623 3.773 20 0 HHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000539221641 1007514596 /nfs/dbraw/zinc/51/45/96/1007514596.db2.gz LGXLKSZTCZHQSZ-LJQANCHMSA-N 2 1 408.468 3.944 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000539246915 1007540699 /nfs/dbraw/zinc/54/06/99/1007540699.db2.gz SUIXEXFTMZKZEF-AOIWGVFYSA-N 2 1 417.500 3.718 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000539246915 1007540712 /nfs/dbraw/zinc/54/07/12/1007540712.db2.gz SUIXEXFTMZKZEF-AOIWGVFYSA-N 2 1 417.500 3.718 20 0 HHADMP O[C@@H](COc1cccc2[nH]ccc21)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535675879 1007700816 /nfs/dbraw/zinc/70/08/16/1007700816.db2.gz MQKUCJOJYUIKPQ-JOCHJYFZSA-N 2 1 419.569 3.896 20 0 HHADMP O=C(C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)N1CCc2ccccc2C1 ZINC000535677434 1007702799 /nfs/dbraw/zinc/70/27/99/1007702799.db2.gz UAXSLLRUTRGDJQ-UHFFFAOYSA-N 2 1 403.570 3.559 20 0 HHADMP O=C(NC1CC[NH+](CC2CC2)CC1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535698510 1007734594 /nfs/dbraw/zinc/73/45/94/1007734594.db2.gz GKSVTFSPAXGREW-UHFFFAOYSA-N 2 1 410.606 3.559 20 0 HHADMP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535699941 1007735729 /nfs/dbraw/zinc/73/57/29/1007735729.db2.gz KVSINEKRAILDBA-JXFKEZNVSA-N 2 1 410.965 3.644 20 0 HHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(Br)s2)c2cccs2)CC1 ZINC000517525435 1007743976 /nfs/dbraw/zinc/74/39/76/1007743976.db2.gz VYIKRMCPYSZAQH-AWEZNQCLSA-N 2 1 400.411 3.650 20 0 HHADMP CCOc1cccc([C@H](C)[NH2+]CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)c1 ZINC000539490764 1007801684 /nfs/dbraw/zinc/80/16/84/1007801684.db2.gz KQHUSPMAOOBPLG-NRFANRHFSA-N 2 1 409.574 3.779 20 0 HHADMP O[C@@]1(C[NH2+]Cc2ccc(Cl)c(Br)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000539515589 1007825914 /nfs/dbraw/zinc/82/59/14/1007825914.db2.gz MEFVUTKZLPGOMD-LJQANCHMSA-N 2 1 409.755 3.829 20 0 HHADMP O[C@@]1(C[NH2+]Cc2ccc(Cl)c(Br)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000539515589 1007825918 /nfs/dbraw/zinc/82/59/18/1007825918.db2.gz MEFVUTKZLPGOMD-LJQANCHMSA-N 2 1 409.755 3.829 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(OC[C@H]4CCCO4)cc3)CC2)C[C@H](C)O1 ZINC000535826648 1007842260 /nfs/dbraw/zinc/84/22/60/1007842260.db2.gz LHLHPKNPJBYKDC-JXALWOEJSA-N 2 1 402.579 3.566 20 0 HHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000533592403 1007891044 /nfs/dbraw/zinc/89/10/44/1007891044.db2.gz OFQWVDBQUPOEHR-PKTZIBPZSA-N 2 1 412.622 3.947 20 0 HHADMP COc1cccc([C@H](CNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)[NH+]2CCCC2)c1 ZINC000517724109 1007930827 /nfs/dbraw/zinc/93/08/27/1007930827.db2.gz IXUFMXIQHKAOTK-QHCPKHFHSA-N 2 1 416.610 3.594 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000535942447 1007974877 /nfs/dbraw/zinc/97/48/77/1007974877.db2.gz HYNGBNBQUMHIRC-RDPSFJRHSA-N 2 1 412.622 3.792 20 0 HHADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc3[nH]c(CCN4CCOCC4)[nH+]c3c2)C1 ZINC000539708186 1008026136 /nfs/dbraw/zinc/02/61/36/1008026136.db2.gz BVLHSOXOIGSLBR-SIKLNZKXSA-N 2 1 419.573 3.685 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc3[nH]c(CCN4CCOCC4)[nH+]c3c2)C1 ZINC000539708186 1008026142 /nfs/dbraw/zinc/02/61/42/1008026142.db2.gz BVLHSOXOIGSLBR-SIKLNZKXSA-N 2 1 419.573 3.685 20 0 HHADMP C[NH+](C)CCOc1cccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC000517901428 1008046451 /nfs/dbraw/zinc/04/64/51/1008046451.db2.gz BRQQCQWMQIZESC-UHFFFAOYSA-N 2 1 410.562 3.755 20 0 HHADMP COc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1OCc1ccccc1 ZINC000539820834 1008114800 /nfs/dbraw/zinc/11/48/00/1008114800.db2.gz TZNHTWLVBMIBGW-QPPBQGQZSA-N 2 1 423.601 3.732 20 0 HHADMP COc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1OCc1ccccc1 ZINC000539820834 1008114804 /nfs/dbraw/zinc/11/48/04/1008114804.db2.gz TZNHTWLVBMIBGW-QPPBQGQZSA-N 2 1 423.601 3.732 20 0 HHADMP CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000540043018 1008252727 /nfs/dbraw/zinc/25/27/27/1008252727.db2.gz PGXPNRIOVUPJAP-GOSISDBHSA-N 2 1 408.546 3.850 20 0 HHADMP CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000540043018 1008252732 /nfs/dbraw/zinc/25/27/32/1008252732.db2.gz PGXPNRIOVUPJAP-GOSISDBHSA-N 2 1 408.546 3.850 20 0 HHADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1)CC1CC1 ZINC000540047010 1008256644 /nfs/dbraw/zinc/25/66/44/1008256644.db2.gz LCDNXPWREHVEKT-AUSIDOKSSA-N 2 1 413.606 3.849 20 0 HHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)NC(=O)Nc2cccc(C)c2C)CC1)CC1CC1 ZINC000540050585 1008259779 /nfs/dbraw/zinc/25/97/79/1008259779.db2.gz VOYMQIKCNDWGGI-UHFFFAOYSA-N 2 1 414.594 3.786 20 0 HHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000518440121 1008306273 /nfs/dbraw/zinc/30/62/73/1008306273.db2.gz BVJAKXSDRFGLLZ-FQEVSTJZSA-N 2 1 400.611 3.982 20 0 HHADMP COc1cc([C@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)ccc1S(C)(=O)=O ZINC000540170340 1008320579 /nfs/dbraw/zinc/32/05/79/1008320579.db2.gz QAUJXPFEOIXLRB-KRWDZBQOSA-N 2 1 404.576 3.790 20 0 HHADMP C[C@@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000518490291 1008326385 /nfs/dbraw/zinc/32/63/85/1008326385.db2.gz FAUPQIBNEPKJNK-HNNXBMFYSA-N 2 1 406.452 3.985 20 0 HHADMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3cc(-c4ccc(F)cc4)no3)CC2)C[C@H](C)O1 ZINC000540245251 1008350791 /nfs/dbraw/zinc/35/07/91/1008350791.db2.gz PZMFSLOLFJXFRQ-ROUUACIJSA-N 2 1 417.525 3.571 20 0 HHADMP CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)cc2)CC1 ZINC000518643860 1008376755 /nfs/dbraw/zinc/37/67/55/1008376755.db2.gz AITIKQPQTQVBEQ-RUZDIDTESA-N 2 1 420.601 3.842 20 0 HHADMP C[C@H]([NH2+][C@@H](C)c1ccc(OC(F)F)cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000540321665 1008379442 /nfs/dbraw/zinc/37/94/42/1008379442.db2.gz TWKWLGHJKDPJGD-ZWOKBUDYSA-N 2 1 417.500 3.718 20 0 HHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(Br)cc2F)c2cccs2)CC1 ZINC000518748785 1008412912 /nfs/dbraw/zinc/41/29/12/1008412912.db2.gz BOLLBTRUPLHFHJ-KRWDZBQOSA-N 2 1 412.372 3.728 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Br)cn2)cc1 ZINC000540461952 1008441289 /nfs/dbraw/zinc/44/12/89/1008441289.db2.gz IIPIUDAMDXRERU-CYBMUJFWSA-N 2 1 414.307 3.628 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCOc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000540469384 1008444062 /nfs/dbraw/zinc/44/40/62/1008444062.db2.gz RNCWTIPCURWUPS-QGZVFWFLSA-N 2 1 413.543 3.704 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000518926737 1008475511 /nfs/dbraw/zinc/47/55/11/1008475511.db2.gz NTPCOSGKNUQBTE-AABGKKOBSA-N 2 1 411.512 3.683 20 0 HHADMP Cc1nc(C[NH+]2CCC(CNC(=O)c3ccc(C[NH+]4CCCC4)cc3)CC2)oc1C ZINC000549034537 1008602202 /nfs/dbraw/zinc/60/22/02/1008602202.db2.gz JUWPSMOUICPKGF-UHFFFAOYSA-N 2 1 410.562 3.529 20 0 HHADMP CC[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000549039905 1008608061 /nfs/dbraw/zinc/60/80/61/1008608061.db2.gz SEESCIXNUQDTDP-LOSJGSFVSA-N 2 1 421.585 3.692 20 0 HHADMP CC[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000549039905 1008608069 /nfs/dbraw/zinc/60/80/69/1008608069.db2.gz SEESCIXNUQDTDP-LOSJGSFVSA-N 2 1 421.585 3.692 20 0 HHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000519224971 1008630567 /nfs/dbraw/zinc/63/05/67/1008630567.db2.gz GNVMBVAXHSTWMS-SFHVURJKSA-N 2 1 403.567 3.619 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC[N@@H+]1C ZINC000543178791 1008753333 /nfs/dbraw/zinc/75/33/33/1008753333.db2.gz JAKGJXFHJODDOS-KUHUBIRLSA-N 2 1 413.393 3.740 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC[N@H+]1C ZINC000543178791 1008753342 /nfs/dbraw/zinc/75/33/42/1008753342.db2.gz JAKGJXFHJODDOS-KUHUBIRLSA-N 2 1 413.393 3.740 20 0 HHADMP Cc1cc(CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc(N2CCCC2)[nH+]1 ZINC000519573408 1008916882 /nfs/dbraw/zinc/91/68/82/1008916882.db2.gz QAYDJTNMLHYZBN-UHFFFAOYSA-N 2 1 421.589 3.976 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)[NH+](C)C ZINC000549451014 1009041037 /nfs/dbraw/zinc/04/10/37/1009041037.db2.gz VPUURYLPFAWIPZ-VQTJNVASSA-N 2 1 418.969 3.553 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000546009694 1009045313 /nfs/dbraw/zinc/04/53/13/1009045313.db2.gz HUDXLXCCRYAEBV-LZJOCLMNSA-N 2 1 411.571 3.795 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000546009694 1009045328 /nfs/dbraw/zinc/04/53/28/1009045328.db2.gz HUDXLXCCRYAEBV-LZJOCLMNSA-N 2 1 411.571 3.795 20 0 HHADMP CCOc1ccc([C@H](C)NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1OC ZINC000543460465 1009046606 /nfs/dbraw/zinc/04/66/06/1009046606.db2.gz MVTDGXFVDBSMCC-BJLQDIEVSA-N 2 1 417.594 3.514 20 0 HHADMP CCOc1ccc([C@H](C)NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000543460465 1009046622 /nfs/dbraw/zinc/04/66/22/1009046622.db2.gz MVTDGXFVDBSMCC-BJLQDIEVSA-N 2 1 417.594 3.514 20 0 HHADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000546163558 1009195963 /nfs/dbraw/zinc/19/59/63/1009195963.db2.gz MNKQLTXPDDUHLV-MRXNPFEDSA-N 2 1 410.400 3.682 20 0 HHADMP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000543628038 1009233619 /nfs/dbraw/zinc/23/36/19/1009233619.db2.gz JSAHCHDPGSNJEX-KCZVDYSFSA-N 2 1 400.588 3.739 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000543687877 1009296369 /nfs/dbraw/zinc/29/63/69/1009296369.db2.gz PAEXTKSNIWRNKC-XGRCMKMKSA-N 2 1 422.564 3.860 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000543687877 1009296380 /nfs/dbraw/zinc/29/63/80/1009296380.db2.gz PAEXTKSNIWRNKC-XGRCMKMKSA-N 2 1 422.564 3.860 20 0 HHADMP Cc1ccc([C@@H](CCn2cncn2)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000546307941 1009325103 /nfs/dbraw/zinc/32/51/03/1009325103.db2.gz IRIUDANIVFWNIE-PXDATVDWSA-N 2 1 419.573 3.728 20 0 HHADMP Cc1ccc([C@@H](CCn2cncn2)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000546307941 1009325134 /nfs/dbraw/zinc/32/51/34/1009325134.db2.gz IRIUDANIVFWNIE-PXDATVDWSA-N 2 1 419.573 3.728 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000543812304 1009375112 /nfs/dbraw/zinc/37/51/12/1009375112.db2.gz BPNOBSWXIXJCDG-WOJBJXKFSA-N 2 1 417.557 3.569 20 0 HHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(C)cc3-c3cnn(C)c3)cc2)CC1 ZINC000520257929 1009375890 /nfs/dbraw/zinc/37/58/90/1009375890.db2.gz QQKKEDYYISNVGA-UHFFFAOYSA-N 2 1 417.601 3.823 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NCCCOc2ccccc2F)cc1 ZINC000543813392 1009376433 /nfs/dbraw/zinc/37/64/33/1009376433.db2.gz NCTITXSHDRSTND-QGZVFWFLSA-N 2 1 410.493 3.556 20 0 HHADMP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000520285794 1009406305 /nfs/dbraw/zinc/40/63/05/1009406305.db2.gz MXOQQNMYKVPYGU-OAQYLSRUSA-N 2 1 402.970 3.894 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000520285794 1009406309 /nfs/dbraw/zinc/40/63/09/1009406309.db2.gz MXOQQNMYKVPYGU-OAQYLSRUSA-N 2 1 402.970 3.894 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[NH+](C)C ZINC000520405146 1009536547 /nfs/dbraw/zinc/53/65/47/1009536547.db2.gz JRSLTLZQMKOFGO-JOCHJYFZSA-N 2 1 416.610 3.596 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[NH+](C)C ZINC000520405146 1009536558 /nfs/dbraw/zinc/53/65/58/1009536558.db2.gz JRSLTLZQMKOFGO-JOCHJYFZSA-N 2 1 416.610 3.596 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1 ZINC000520406089 1009536580 /nfs/dbraw/zinc/53/65/80/1009536580.db2.gz ZMGJJCSPYSMWTN-BGYRXZFFSA-N 2 1 406.590 3.657 20 0 HHADMP CC(C)N1C(=O)C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000544014790 1009616873 /nfs/dbraw/zinc/61/68/73/1009616873.db2.gz NOULMCWEWUFWQN-RBBKRZOGSA-N 2 1 407.961 3.994 20 0 HHADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)CC3 ZINC000546612963 1009629528 /nfs/dbraw/zinc/62/95/28/1009629528.db2.gz ODHJNIGKIWREOG-ROKPMTFOSA-N 2 1 419.569 3.506 20 0 HHADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)CC3 ZINC000546612963 1009629536 /nfs/dbraw/zinc/62/95/36/1009629536.db2.gz ODHJNIGKIWREOG-ROKPMTFOSA-N 2 1 419.569 3.506 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000546715887 1009697505 /nfs/dbraw/zinc/69/75/05/1009697505.db2.gz DTTXHFHKAYSTFL-WOJBJXKFSA-N 2 1 420.479 3.794 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000546715887 1009697510 /nfs/dbraw/zinc/69/75/10/1009697510.db2.gz DTTXHFHKAYSTFL-WOJBJXKFSA-N 2 1 420.479 3.794 20 0 HHADMP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C1 ZINC000550139300 1009723654 /nfs/dbraw/zinc/72/36/54/1009723654.db2.gz BTYWTIWJRZBDKB-TZIWHRDSSA-N 2 1 405.583 3.995 20 0 HHADMP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000520733352 1009802080 /nfs/dbraw/zinc/80/20/80/1009802080.db2.gz AQXPSTIFUNQRCA-RXVVDRJESA-N 2 1 409.496 3.574 20 0 HHADMP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000520733352 1009802096 /nfs/dbraw/zinc/80/20/96/1009802096.db2.gz AQXPSTIFUNQRCA-RXVVDRJESA-N 2 1 409.496 3.574 20 0 HHADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000520733352 1009802114 /nfs/dbraw/zinc/80/21/14/1009802114.db2.gz AQXPSTIFUNQRCA-RXVVDRJESA-N 2 1 409.496 3.574 20 0 HHADMP c1cnn(-c2ccc(C[NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CC34CCOCC4)cc2)c1 ZINC000550262863 1009814587 /nfs/dbraw/zinc/81/45/87/1009814587.db2.gz APRAMHDLGAUDTH-XMMPIXPASA-N 2 1 416.569 3.891 20 0 HHADMP C[C@@H]([NH2+]CC(=O)NCc1ccc(F)cc1C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544420564 1010039281 /nfs/dbraw/zinc/03/92/81/1010039281.db2.gz IOJLRMDEHQTBJL-GDBMZVCRSA-N 2 1 415.475 3.703 20 0 HHADMP C[C@@H]([NH2+]CC(=O)NCc1ccc(F)cc1C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544420564 1010039298 /nfs/dbraw/zinc/03/92/98/1010039298.db2.gz IOJLRMDEHQTBJL-GDBMZVCRSA-N 2 1 415.475 3.703 20 0 HHADMP C[C@@H]([NH2+]CC(=O)NCC1(c2ccc(F)cc2)CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544421833 1010042147 /nfs/dbraw/zinc/04/21/47/1010042147.db2.gz YCUMSILOSVYRON-UXHICEINSA-N 2 1 415.597 3.996 20 0 HHADMP C[C@@H]([NH2+]CC(=O)NCC1(c2ccc(F)cc2)CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544421833 1010042165 /nfs/dbraw/zinc/04/21/65/1010042165.db2.gz YCUMSILOSVYRON-UXHICEINSA-N 2 1 415.597 3.996 20 0 HHADMP Cc1cc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n(-c2ccccc2F)n1 ZINC000544423538 1010044238 /nfs/dbraw/zinc/04/42/38/1010044238.db2.gz FEHQSSCJJJWFIF-ROUUACIJSA-N 2 1 413.541 3.501 20 0 HHADMP Cc1cc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n(-c2ccccc2F)n1 ZINC000544423538 1010044251 /nfs/dbraw/zinc/04/42/51/1010044251.db2.gz FEHQSSCJJJWFIF-ROUUACIJSA-N 2 1 413.541 3.501 20 0 HHADMP CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000544424463 1010046299 /nfs/dbraw/zinc/04/62/99/1010046299.db2.gz GZPUDFDSGNXGOC-IZIIKQMZSA-N 2 1 413.606 3.991 20 0 HHADMP CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000544424463 1010046315 /nfs/dbraw/zinc/04/63/15/1010046315.db2.gz GZPUDFDSGNXGOC-IZIIKQMZSA-N 2 1 413.606 3.991 20 0 HHADMP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000550622098 1010069204 /nfs/dbraw/zinc/06/92/04/1010069204.db2.gz JCWXSNIZKCPIOY-GGAORHGYSA-N 2 1 415.603 3.641 20 0 HHADMP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000550622098 1010069215 /nfs/dbraw/zinc/06/92/15/1010069215.db2.gz JCWXSNIZKCPIOY-GGAORHGYSA-N 2 1 415.603 3.641 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)CC1 ZINC000521092145 1010109290 /nfs/dbraw/zinc/10/92/90/1010109290.db2.gz KCUVIAYQZNREDP-LSDHHAIUSA-N 2 1 405.329 3.882 20 0 HHADMP CCc1nc(C[NH+]2CCC(CNC(=O)[C@@H](C(C)C)[NH+]3CCCCC3)CC2)cs1 ZINC000521131058 1010155536 /nfs/dbraw/zinc/15/55/36/1010155536.db2.gz DDTCKGYFYRFLKI-OAQYLSRUSA-N 2 1 406.640 3.544 20 0 HHADMP COc1ccccc1CC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000551029609 1010326417 /nfs/dbraw/zinc/32/64/17/1010326417.db2.gz LTFMXIHKENIOPK-RPWUZVMVSA-N 2 1 421.585 3.654 20 0 HHADMP COc1ccccc1CC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000551029609 1010326429 /nfs/dbraw/zinc/32/64/29/1010326429.db2.gz LTFMXIHKENIOPK-RPWUZVMVSA-N 2 1 421.585 3.654 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547505270 1010331379 /nfs/dbraw/zinc/33/13/79/1010331379.db2.gz LNMLWCNHTLXHQR-GECPAALWSA-N 2 1 408.590 3.695 20 0 HHADMP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)C2)c1 ZINC000551063833 1010343665 /nfs/dbraw/zinc/34/36/65/1010343665.db2.gz DQGOZXGTRBWBFP-FZOAFFARSA-N 2 1 409.574 3.955 20 0 HHADMP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)C2)c1 ZINC000551063833 1010343679 /nfs/dbraw/zinc/34/36/79/1010343679.db2.gz DQGOZXGTRBWBFP-FZOAFFARSA-N 2 1 409.574 3.955 20 0 HHADMP C[C@H]([NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547828485 1010441499 /nfs/dbraw/zinc/44/14/99/1010441499.db2.gz LKSHPDJWVHURAI-QUURXOELSA-N 2 1 411.565 3.699 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000521584496 1010481583 /nfs/dbraw/zinc/48/15/83/1010481583.db2.gz NZIWWLOLSQRAGY-UCFCWBNQSA-N 2 1 409.549 3.989 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000521584496 1010481590 /nfs/dbraw/zinc/48/15/90/1010481590.db2.gz NZIWWLOLSQRAGY-UCFCWBNQSA-N 2 1 409.549 3.989 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000521584496 1010481596 /nfs/dbraw/zinc/48/15/96/1010481596.db2.gz NZIWWLOLSQRAGY-UCFCWBNQSA-N 2 1 409.549 3.989 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155801 1010547551 /nfs/dbraw/zinc/54/75/51/1010547551.db2.gz FPTKCINGKTWORH-TVZXLZGTSA-N 2 1 407.602 3.908 20 0 HHADMP CC(C)[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1 ZINC000521878904 1010682220 /nfs/dbraw/zinc/68/22/20/1010682220.db2.gz OGNWENWYDFPBLI-OAQYLSRUSA-N 2 1 407.002 3.867 20 0 HHADMP C[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000551703251 1010749891 /nfs/dbraw/zinc/74/98/91/1010749891.db2.gz VNNOYZNKNFGURY-DFCKQENNSA-N 2 1 407.602 3.778 20 0 HHADMP C[C@H](NC[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000551703251 1010749896 /nfs/dbraw/zinc/74/98/96/1010749896.db2.gz VNNOYZNKNFGURY-DFCKQENNSA-N 2 1 407.602 3.778 20 0 HHADMP C[C@H](NC[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000551703251 1010749900 /nfs/dbraw/zinc/74/99/00/1010749900.db2.gz VNNOYZNKNFGURY-DFCKQENNSA-N 2 1 407.602 3.778 20 0 HHADMP C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000551703251 1010749907 /nfs/dbraw/zinc/74/99/07/1010749907.db2.gz VNNOYZNKNFGURY-DFCKQENNSA-N 2 1 407.602 3.778 20 0 HHADMP C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000551703251 1010749912 /nfs/dbraw/zinc/74/99/12/1010749912.db2.gz VNNOYZNKNFGURY-DFCKQENNSA-N 2 1 407.602 3.778 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000522294051 1010911228 /nfs/dbraw/zinc/91/12/28/1010911228.db2.gz UGZNKMXSHICWPO-QHCPKHFHSA-N 2 1 400.611 3.805 20 0 HHADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000522294051 1010911233 /nfs/dbraw/zinc/91/12/33/1010911233.db2.gz UGZNKMXSHICWPO-QHCPKHFHSA-N 2 1 400.611 3.805 20 0 HHADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000522294051 1010911239 /nfs/dbraw/zinc/91/12/39/1010911239.db2.gz UGZNKMXSHICWPO-QHCPKHFHSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000522596928 1011100498 /nfs/dbraw/zinc/10/04/98/1011100498.db2.gz OCCLRVSWOMYAHR-WOZUAGRISA-N 2 1 400.611 3.878 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000522631459 1011124651 /nfs/dbraw/zinc/12/46/51/1011124651.db2.gz PKUWFMZZPUOSET-ZCNNSNEGSA-N 2 1 406.640 3.627 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000522631459 1011124660 /nfs/dbraw/zinc/12/46/60/1011124660.db2.gz PKUWFMZZPUOSET-ZCNNSNEGSA-N 2 1 406.640 3.627 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000522631459 1011124667 /nfs/dbraw/zinc/12/46/67/1011124667.db2.gz PKUWFMZZPUOSET-ZCNNSNEGSA-N 2 1 406.640 3.627 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000522852083 1011291618 /nfs/dbraw/zinc/29/16/18/1011291618.db2.gz BKJPMSWWNPFIEG-NRFANRHFSA-N 2 1 400.526 3.542 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540718735 1011369499 /nfs/dbraw/zinc/36/94/99/1011369499.db2.gz WVJOUNWDUFVJQS-PLACYPQZSA-N 2 1 422.976 3.929 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540718735 1011369505 /nfs/dbraw/zinc/36/95/05/1011369505.db2.gz WVJOUNWDUFVJQS-PLACYPQZSA-N 2 1 422.976 3.929 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540718735 1011369509 /nfs/dbraw/zinc/36/95/09/1011369509.db2.gz WVJOUNWDUFVJQS-PLACYPQZSA-N 2 1 422.976 3.929 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540718735 1011369514 /nfs/dbraw/zinc/36/95/14/1011369514.db2.gz WVJOUNWDUFVJQS-PLACYPQZSA-N 2 1 422.976 3.929 20 0 HHADMP CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000540721059 1011374260 /nfs/dbraw/zinc/37/42/60/1011374260.db2.gz ZHCPFUHONPFQHQ-VQTJNVASSA-N 2 1 410.965 3.786 20 0 HHADMP CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000540721059 1011374272 /nfs/dbraw/zinc/37/42/72/1011374272.db2.gz ZHCPFUHONPFQHQ-VQTJNVASSA-N 2 1 410.965 3.786 20 0 HHADMP CN(C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000536231951 1011381039 /nfs/dbraw/zinc/38/10/39/1011381039.db2.gz IWUBAAPWKCYTJR-BJKOFHAPSA-N 2 1 406.574 3.738 20 0 HHADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCC[C@@H]3c3ccc(C(F)(F)F)cc3)cn2)CC1 ZINC000540732841 1011383637 /nfs/dbraw/zinc/38/36/37/1011383637.db2.gz FPLCSYKBXBLSGC-WOJBJXKFSA-N 2 1 419.495 3.673 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000536370083 1011579083 /nfs/dbraw/zinc/57/90/83/1011579083.db2.gz JASLUCYSHYGTRQ-UNMCSNQZSA-N 2 1 412.965 3.821 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000536370083 1011579090 /nfs/dbraw/zinc/57/90/90/1011579090.db2.gz JASLUCYSHYGTRQ-UNMCSNQZSA-N 2 1 412.965 3.821 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000523129865 1011598346 /nfs/dbraw/zinc/59/83/46/1011598346.db2.gz YPNSSPDXXCSLMG-QFIPXVFZSA-N 2 1 415.626 3.732 20 0 HHADMP CCCN(C(=O)NC[C@@H](C)C[NH+]1CCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000523134273 1011603858 /nfs/dbraw/zinc/60/38/58/1011603858.db2.gz WQUXBZLCXLTWNG-GGAORHGYSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]CCCCN2C(=O)c3ccccc3C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000540983975 1011617719 /nfs/dbraw/zinc/61/77/19/1011617719.db2.gz NXRIOQSDZYRJKX-TZIWHRDSSA-N 2 1 405.542 3.706 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]CCCCN2C(=O)c3ccccc3C2=O)CC[N@H+]1Cc1ccccc1 ZINC000540983975 1011617728 /nfs/dbraw/zinc/61/77/28/1011617728.db2.gz NXRIOQSDZYRJKX-TZIWHRDSSA-N 2 1 405.542 3.706 20 0 HHADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000541003307 1011637631 /nfs/dbraw/zinc/63/76/31/1011637631.db2.gz RIYKTMQOAQLALS-UHFFFAOYSA-N 2 1 407.624 3.604 20 0 HHADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536458807 1011678098 /nfs/dbraw/zinc/67/80/98/1011678098.db2.gz HTPRFZZXPQMCKR-WRWLIDTKSA-N 2 1 410.965 3.503 20 0 HHADMP CCC[NH+]1CC[C@H](CNC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536458807 1011678110 /nfs/dbraw/zinc/67/81/10/1011678110.db2.gz HTPRFZZXPQMCKR-WRWLIDTKSA-N 2 1 410.965 3.503 20 0 HHADMP CCC[NH+]1CC[C@H](CNC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536458807 1011678120 /nfs/dbraw/zinc/67/81/20/1011678120.db2.gz HTPRFZZXPQMCKR-WRWLIDTKSA-N 2 1 410.965 3.503 20 0 HHADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536458805 1011678648 /nfs/dbraw/zinc/67/86/48/1011678648.db2.gz HTPRFZZXPQMCKR-SYNHAJSKSA-N 2 1 410.965 3.503 20 0 HHADMP CCC[NH+]1CC[C@H](CNC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536458805 1011678652 /nfs/dbraw/zinc/67/86/52/1011678652.db2.gz HTPRFZZXPQMCKR-SYNHAJSKSA-N 2 1 410.965 3.503 20 0 HHADMP CCC[NH+]1CC[C@H](CNC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536458805 1011678662 /nfs/dbraw/zinc/67/86/62/1011678662.db2.gz HTPRFZZXPQMCKR-SYNHAJSKSA-N 2 1 410.965 3.503 20 0 HHADMP Cn1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000536661484 1011810107 /nfs/dbraw/zinc/81/01/07/1011810107.db2.gz ULHNMISJHGQTLW-NRFANRHFSA-N 2 1 410.562 3.699 20 0 HHADMP Cn1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000536661484 1011810124 /nfs/dbraw/zinc/81/01/24/1011810124.db2.gz ULHNMISJHGQTLW-NRFANRHFSA-N 2 1 410.562 3.699 20 0 HHADMP C[N@H+]1CC=C(CNC(=O)N[C@@H]2CC[NH+](C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000541151450 1011811649 /nfs/dbraw/zinc/81/16/49/1011811649.db2.gz WZLQSUCPIQMDCD-WOJBJXKFSA-N 2 1 422.976 3.954 20 0 HHADMP C[N@@H+]1CC=C(CNC(=O)N[C@@H]2CC[NH+](C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000541151450 1011811664 /nfs/dbraw/zinc/81/16/64/1011811664.db2.gz WZLQSUCPIQMDCD-WOJBJXKFSA-N 2 1 422.976 3.954 20 0 HHADMP C[NH+]1CC=C(CNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000541151450 1011811680 /nfs/dbraw/zinc/81/16/80/1011811680.db2.gz WZLQSUCPIQMDCD-WOJBJXKFSA-N 2 1 422.976 3.954 20 0 HHADMP C[NH+]1CC=C(CNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000541151450 1011811692 /nfs/dbraw/zinc/81/16/92/1011811692.db2.gz WZLQSUCPIQMDCD-WOJBJXKFSA-N 2 1 422.976 3.954 20 0 HHADMP CCC[N@H+](Cc1cnc2nc(C)cc(C)n12)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000536669970 1011824999 /nfs/dbraw/zinc/82/49/99/1011824999.db2.gz GOWWLKVCVLDBJX-UHFFFAOYSA-N 2 1 407.566 3.634 20 0 HHADMP CCC[N@@H+](Cc1cnc2nc(C)cc(C)n12)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000536669970 1011825018 /nfs/dbraw/zinc/82/50/18/1011825018.db2.gz GOWWLKVCVLDBJX-UHFFFAOYSA-N 2 1 407.566 3.634 20 0 HHADMP CCC[N@H+](Cc1cccc(OCCOC)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000536670239 1011825084 /nfs/dbraw/zinc/82/50/84/1011825084.db2.gz MSMPTKPXKYTIOW-UHFFFAOYSA-N 2 1 412.578 4.000 20 0 HHADMP CCC[N@@H+](Cc1cccc(OCCOC)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000536670239 1011825105 /nfs/dbraw/zinc/82/51/05/1011825105.db2.gz MSMPTKPXKYTIOW-UHFFFAOYSA-N 2 1 412.578 4.000 20 0 HHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000536697147 1011865530 /nfs/dbraw/zinc/86/55/30/1011865530.db2.gz LNAYNHNVSUHQJA-IBGZPJMESA-N 2 1 409.368 3.658 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000536719138 1011892700 /nfs/dbraw/zinc/89/27/00/1011892700.db2.gz GLWYJQNVGRNXMV-QHCPKHFHSA-N 2 1 410.537 3.779 20 0 HHADMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2ccc3c(c2)OCCCO3)CC1)CC1CC1 ZINC000536738199 1011919575 /nfs/dbraw/zinc/91/95/75/1011919575.db2.gz LAGBGGWUSWOQBK-UHFFFAOYSA-N 2 1 415.578 3.620 20 0 HHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2ccc3c(c2)OCCCO3)CC1)CC1CC1 ZINC000536738199 1011919595 /nfs/dbraw/zinc/91/95/95/1011919595.db2.gz LAGBGGWUSWOQBK-UHFFFAOYSA-N 2 1 415.578 3.620 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccc4c(c3)OCCO4)CCCC2)[C@@H](C)C1 ZINC000536806278 1012028518 /nfs/dbraw/zinc/02/85/18/1012028518.db2.gz KYNDYVPLQXVCKL-RBBKRZOGSA-N 2 1 416.606 3.996 20 0 HHADMP CCCN(C(=O)NC[C@@H](c1ccco1)[NH+](C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000523520712 1012047026 /nfs/dbraw/zinc/04/70/26/1012047026.db2.gz XVFXDQMQPWCCEL-VXKWHMMOSA-N 2 1 412.578 3.969 20 0 HHADMP CCCN(C(=O)NC[C@@H](c1ccco1)[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000523520712 1012047042 /nfs/dbraw/zinc/04/70/42/1012047042.db2.gz XVFXDQMQPWCCEL-VXKWHMMOSA-N 2 1 412.578 3.969 20 0 HHADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000552045493 1012064152 /nfs/dbraw/zinc/06/41/52/1012064152.db2.gz IMFYZQHVVRAQQE-UHFFFAOYSA-N 3 1 422.617 3.511 20 0 HHADMP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000536855717 1012088185 /nfs/dbraw/zinc/08/81/85/1012088185.db2.gz CBYFVRBJZJXBOH-GBESFXJTSA-N 2 1 410.002 3.556 20 0 HHADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000536859287 1012092770 /nfs/dbraw/zinc/09/27/70/1012092770.db2.gz SZTUQVQVXKHWQN-YESZJQIVSA-N 2 1 411.974 3.545 20 0 HHADMP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000536862370 1012097182 /nfs/dbraw/zinc/09/71/82/1012097182.db2.gz GTSQMHADXIFMKL-IBGZPJMESA-N 2 1 422.013 3.702 20 0 HHADMP O=C1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CN1[C@H]1C[C@H]1c1ccccc1 ZINC000536875821 1012118165 /nfs/dbraw/zinc/11/81/65/1012118165.db2.gz KNNOHFCXFBDRSA-SDHOMARFSA-N 2 1 421.560 3.579 20 0 HHADMP COC(=O)c1csc([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000552223259 1012237023 /nfs/dbraw/zinc/23/70/23/1012237023.db2.gz KEWYEEABOKXBDF-XLIONFOSSA-N 2 1 401.576 3.564 20 0 HHADMP COc1ccc([C@@H](Cc2ccncc2)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000552237659 1012247183 /nfs/dbraw/zinc/24/71/83/1012247183.db2.gz IDDFHKLDJXEKMF-AREMUKBSSA-N 2 1 417.553 3.996 20 0 HHADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c(C)c1OC ZINC000552238899 1012248537 /nfs/dbraw/zinc/24/85/37/1012248537.db2.gz PCUHPNDRBNOTCJ-PXNSSMCTSA-N 2 1 417.619 3.583 20 0 HHADMP CC(C)[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000536951508 1012250109 /nfs/dbraw/zinc/25/01/09/1012250109.db2.gz QWBZJTVASQFUCX-RXVVDRJESA-N 2 1 414.575 3.870 20 0 HHADMP CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000552275020 1012289541 /nfs/dbraw/zinc/28/95/41/1012289541.db2.gz IOXGASYFLDWACK-USWKJHDZSA-N 2 1 404.620 3.623 20 0 HHADMP CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000552275020 1012289559 /nfs/dbraw/zinc/28/95/59/1012289559.db2.gz IOXGASYFLDWACK-USWKJHDZSA-N 2 1 404.620 3.623 20 0 HHADMP Cc1cc(Br)ccc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541598879 1012391397 /nfs/dbraw/zinc/39/13/97/1012391397.db2.gz DEOYWYJJPUKDKL-HOTGVXAUSA-N 2 1 408.384 3.939 20 0 HHADMP Cc1cc(Br)ccc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541598879 1012391411 /nfs/dbraw/zinc/39/14/11/1012391411.db2.gz DEOYWYJJPUKDKL-HOTGVXAUSA-N 2 1 408.384 3.939 20 0 HHADMP Cc1cc(Br)ccc1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541598877 1012391520 /nfs/dbraw/zinc/39/15/20/1012391520.db2.gz DEOYWYJJPUKDKL-CVEARBPZSA-N 2 1 408.384 3.939 20 0 HHADMP Cc1cc(Br)ccc1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541598877 1012391536 /nfs/dbraw/zinc/39/15/36/1012391536.db2.gz DEOYWYJJPUKDKL-CVEARBPZSA-N 2 1 408.384 3.939 20 0 HHADMP C[C@H]([NH2+]CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599962 1012393129 /nfs/dbraw/zinc/39/31/29/1012393129.db2.gz SEGGXTNNUBCKON-AZUAARDMSA-N 2 1 421.589 3.931 20 0 HHADMP C[C@H]([NH2+]CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599962 1012393140 /nfs/dbraw/zinc/39/31/40/1012393140.db2.gz SEGGXTNNUBCKON-AZUAARDMSA-N 2 1 421.589 3.931 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCC2(F)F)[C@H]1c1ccccc1 ZINC000552403565 1012415726 /nfs/dbraw/zinc/41/57/26/1012415726.db2.gz JTYAVWIIIOIGLQ-FDFHNCONSA-N 2 1 413.512 3.705 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)[C@H]1c1ccccc1 ZINC000552403565 1012415738 /nfs/dbraw/zinc/41/57/38/1012415738.db2.gz JTYAVWIIIOIGLQ-FDFHNCONSA-N 2 1 413.512 3.705 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)[C@H]1c1ccccc1 ZINC000552403565 1012415754 /nfs/dbraw/zinc/41/57/54/1012415754.db2.gz JTYAVWIIIOIGLQ-FDFHNCONSA-N 2 1 413.512 3.705 20 0 HHADMP C[NH+](C)CCCC1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000552404013 1012416949 /nfs/dbraw/zinc/41/69/49/1012416949.db2.gz QJINHKZPIJWZHU-NRFANRHFSA-N 2 1 407.549 3.724 20 0 HHADMP C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000541664710 1012494420 /nfs/dbraw/zinc/49/44/20/1012494420.db2.gz QRGAYMCICZMICV-QGZVFWFLSA-N 2 1 405.537 3.842 20 0 HHADMP C[C@@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000541664708 1012494793 /nfs/dbraw/zinc/49/47/93/1012494793.db2.gz QRGAYMCICZMICV-KRWDZBQOSA-N 2 1 405.537 3.842 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000537166894 1012569374 /nfs/dbraw/zinc/56/93/74/1012569374.db2.gz HZNFFRHYKYTMAP-HZPDHXFCSA-N 2 1 406.486 3.630 20 0 HHADMP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000541743323 1012600114 /nfs/dbraw/zinc/60/01/14/1012600114.db2.gz HPOQQGSJPZJKHR-BAMDZGJYSA-N 2 1 422.635 3.559 20 0 HHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](c3ccn(C)n3)c3ccc(F)cc3)CC2)oc1C ZINC000537191626 1012603671 /nfs/dbraw/zinc/60/36/71/1012603671.db2.gz RAPXROQFQFZCOB-HSZRJFAPSA-N 2 1 411.525 3.755 20 0 HHADMP Cc1c(C)c(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)ccc1NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000552610783 1012613381 /nfs/dbraw/zinc/61/33/81/1012613381.db2.gz YEMBHEVRYDUFNX-TVFCKZIOSA-N 2 1 414.594 3.926 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1F ZINC000523904450 1012617307 /nfs/dbraw/zinc/61/73/07/1012617307.db2.gz VFDYVVSHYMSJNP-UWJYYQICSA-N 2 1 421.520 3.955 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1F ZINC000523904450 1012617317 /nfs/dbraw/zinc/61/73/17/1012617317.db2.gz VFDYVVSHYMSJNP-UWJYYQICSA-N 2 1 421.520 3.955 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000523904463 1012617889 /nfs/dbraw/zinc/61/78/89/1012617889.db2.gz VSQLBDAVTQBDLF-CHOVIJNXSA-N 2 1 406.574 3.957 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[NH+]2CCCC2)o1 ZINC000523939411 1012672634 /nfs/dbraw/zinc/67/26/34/1012672634.db2.gz MNKBMWJVMGBLIS-SVFBPWRDSA-N 2 1 404.599 3.782 20 0 HHADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC3CC[NH+](C4CCCCC4)CC3)cc2)CC1 ZINC000541929070 1012789813 /nfs/dbraw/zinc/78/98/13/1012789813.db2.gz HIGAOCCMMCUHSP-UHFFFAOYSA-N 2 1 412.622 3.602 20 0 HHADMP CC(C)[NH+](Cc1ccc(NC(=O)NCC[N@H+](C)C(C)C)cc1)C[C@@H]1CCCCO1 ZINC000541962457 1012825115 /nfs/dbraw/zinc/82/51/15/1012825115.db2.gz MCENANLPMNFFLD-QFIPXVFZSA-N 2 1 404.599 3.928 20 0 HHADMP CC(C)[NH+](C)CCNC(=O)Nc1ccc(C[N@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000541962457 1012825134 /nfs/dbraw/zinc/82/51/34/1012825134.db2.gz MCENANLPMNFFLD-QFIPXVFZSA-N 2 1 404.599 3.928 20 0 HHADMP CC(C)[NH+](C)CCNC(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000541962457 1012825155 /nfs/dbraw/zinc/82/51/55/1012825155.db2.gz MCENANLPMNFFLD-QFIPXVFZSA-N 2 1 404.599 3.928 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)c2cc1C ZINC000552912988 1012913207 /nfs/dbraw/zinc/91/32/07/1012913207.db2.gz ICUFVWDAQZXQRY-AKIFATBCSA-N 2 1 406.574 3.657 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)c2cc1C ZINC000552912988 1012913225 /nfs/dbraw/zinc/91/32/25/1012913225.db2.gz ICUFVWDAQZXQRY-AKIFATBCSA-N 2 1 406.574 3.657 20 0 HHADMP COc1ccc2cc(CN(C)C(=O)C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)ccc2c1 ZINC000524156165 1012946644 /nfs/dbraw/zinc/94/66/44/1012946644.db2.gz OFBFEJMAHIGOBA-UHFFFAOYSA-N 2 1 411.590 3.859 20 0 HHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)CCCOc3ccc(Cl)cc3)CC2)CC1 ZINC000553009598 1012982356 /nfs/dbraw/zinc/98/23/56/1012982356.db2.gz QGKRRJNGMWVEQP-UHFFFAOYSA-N 2 1 422.013 3.764 20 0 HHADMP F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(CNC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000729684179 1071803075 /nfs/dbraw/zinc/80/30/75/1071803075.db2.gz KPQXUMWEDUQQEA-NUEKZKHPSA-N 2 1 412.374 3.511 20 0 HHADMP F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(C[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000729684179 1071803098 /nfs/dbraw/zinc/80/30/98/1071803098.db2.gz KPQXUMWEDUQQEA-NUEKZKHPSA-N 2 1 412.374 3.511 20 0 HHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+]([C@H]1Cc3ccc(OC)cc3C1)CC2 ZINC001168266285 1071830381 /nfs/dbraw/zinc/83/03/81/1071830381.db2.gz DICARIGBNRFAEE-BJKOFHAPSA-N 2 1 421.585 3.561 20 0 HHADMP COc1ccc2c(c1)C[C@@H]([NH+]1CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC1)C2 ZINC001168272047 1072058547 /nfs/dbraw/zinc/05/85/47/1072058547.db2.gz KBHSHFOUPLSSLC-BJKOFHAPSA-N 2 1 406.570 3.918 20 0 HHADMP CC(C)(C)OC(=O)N1CCC(F)(F)[C@@]2(CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001168374170 1072114456 /nfs/dbraw/zinc/11/44/56/1072114456.db2.gz WZXUKBUTYYNJNP-OAQYLSRUSA-N 2 1 413.553 3.829 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H]3c3ccc(C)cc3)cc2)CC1 ZINC000897606494 1072335485 /nfs/dbraw/zinc/33/54/85/1072335485.db2.gz QDDHCINBMDULTD-XMMPIXPASA-N 2 1 406.574 3.913 20 0 HHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000586857881 1072480170 /nfs/dbraw/zinc/48/01/70/1072480170.db2.gz LXTBJWFUCQBUFF-OQLXKQOESA-N 2 1 400.611 3.564 20 0 HHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000586857881 1072480176 /nfs/dbraw/zinc/48/01/76/1072480176.db2.gz LXTBJWFUCQBUFF-OQLXKQOESA-N 2 1 400.611 3.564 20 0 HHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000586857881 1072480178 /nfs/dbraw/zinc/48/01/78/1072480178.db2.gz LXTBJWFUCQBUFF-OQLXKQOESA-N 2 1 400.611 3.564 20 0 HHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000586870055 1072494030 /nfs/dbraw/zinc/49/40/30/1072494030.db2.gz GYMGDAZPARVBFL-QHCPKHFHSA-N 2 1 412.622 3.852 20 0 HHADMP Brc1ccc2nc(C3CC[NH+](C4CC[NH+](CC5CC5)CC4)CC3)nn2c1 ZINC001168377305 1072496409 /nfs/dbraw/zinc/49/64/09/1072496409.db2.gz BWLBKGDSPPFRKM-UHFFFAOYSA-N 2 1 418.383 3.546 20 0 HHADMP CC[N@@H+](CCC1CC[NH+](CN2C[C@@H](c3cccc(OC)c3)CC2=O)CC1)CC1CC1 ZINC000760540943 1072565329 /nfs/dbraw/zinc/56/53/29/1072565329.db2.gz YPMFQEVAJLJFEZ-QHCPKHFHSA-N 2 1 413.606 3.803 20 0 HHADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000571339852 1072605835 /nfs/dbraw/zinc/60/58/35/1072605835.db2.gz GDHYNTOIPKVRCI-HNNXBMFYSA-N 2 1 415.409 3.986 20 0 HHADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000571339852 1072605838 /nfs/dbraw/zinc/60/58/38/1072605838.db2.gz GDHYNTOIPKVRCI-HNNXBMFYSA-N 2 1 415.409 3.986 20 0 HHADMP Fc1cccc(N2CCOC[C@@]3(CCC[N@H+](C4CC[NH+](CC5CC5)CC4)C3)C2)c1 ZINC001168379277 1072656965 /nfs/dbraw/zinc/65/69/65/1072656965.db2.gz GJFDETPREUBODW-XMMPIXPASA-N 2 1 401.570 3.619 20 0 HHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)CC2)n[nH]1 ZINC000571574767 1072661334 /nfs/dbraw/zinc/66/13/34/1072661334.db2.gz CIQJEUIEXKDYKC-QPTUXGOLSA-N 2 1 407.606 3.967 20 0 HHADMP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)CC1 ZINC000571721107 1072710767 /nfs/dbraw/zinc/71/07/67/1072710767.db2.gz DSLQDWPMONIYPT-UHFFFAOYSA-N 2 1 401.551 3.540 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1)C1CC1 ZINC000588654645 1073103217 /nfs/dbraw/zinc/10/32/17/1073103217.db2.gz AUOIKURSQDBRLW-PMACEKPBSA-N 2 1 413.606 3.632 20 0 HHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nnc(-c4ccccc4Cl)o3)CC2)C[C@H](C)O1 ZINC000588708639 1073154978 /nfs/dbraw/zinc/15/49/78/1073154978.db2.gz BDADJEVPNFCKST-IYBDPMFKSA-N 2 1 404.942 3.711 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nnc(-c4ccccc4Cl)o3)CC2)C[C@H](C)O1 ZINC000588708639 1073154981 /nfs/dbraw/zinc/15/49/81/1073154981.db2.gz BDADJEVPNFCKST-IYBDPMFKSA-N 2 1 404.942 3.711 20 0 HHADMP C[C@H]1C[NH+](CC2CC[NH+](CC(=O)Nc3ccccc3C(C)(C)C)CC2)C[C@H](C)O1 ZINC000588710098 1073155617 /nfs/dbraw/zinc/15/56/17/1073155617.db2.gz QAMYOWADXUBPHP-OALUTQOASA-N 2 1 401.595 3.744 20 0 HHADMP C[C@H](NC(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1cccc2ccccc21 ZINC000588710622 1073156571 /nfs/dbraw/zinc/15/65/71/1073156571.db2.gz UBWLAZOQHCMGCQ-HBMCJLEFSA-N 2 1 423.601 3.838 20 0 HHADMP C[C@H](NC(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1cccc2ccccc21 ZINC000588710622 1073156580 /nfs/dbraw/zinc/15/65/80/1073156580.db2.gz UBWLAZOQHCMGCQ-HBMCJLEFSA-N 2 1 423.601 3.838 20 0 HHADMP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H](c3ccccc3)N3CC[NH+](C)CC3)cc2)CC1 ZINC000590008204 1073447678 /nfs/dbraw/zinc/44/76/78/1073447678.db2.gz UROCXLJXBVDNSK-RUZDIDTESA-N 2 1 420.601 3.846 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000555417713 1073452163 /nfs/dbraw/zinc/45/21/63/1073452163.db2.gz ISYVVWINPRWYRT-WMZHIEFXSA-N 2 1 419.585 3.558 20 0 HHADMP CC(C)N(C)c1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cn1 ZINC000555614882 1073667665 /nfs/dbraw/zinc/66/76/65/1073667665.db2.gz UNTBPTKHKVLGSL-XMMPIXPASA-N 2 1 422.617 3.945 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)[NH+]2CCCC2)o1 ZINC000555709216 1073752227 /nfs/dbraw/zinc/75/22/27/1073752227.db2.gz PZRXAUFSXMUCJZ-BRWVUGGUSA-N 2 1 415.500 3.750 20 0 HHADMP COCCC[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000555946843 1073994294 /nfs/dbraw/zinc/99/42/94/1073994294.db2.gz UEJQXKCOZGUTFB-RTWAWAEBSA-N 2 1 405.583 3.933 20 0 HHADMP Cc1ccc(N2CCC(C(=O)Nc3ccccc3NC3CC[NH+](C)CC3)CC2)[nH+]c1 ZINC000590833003 1074011946 /nfs/dbraw/zinc/01/19/46/1074011946.db2.gz VDCWCTOZIZEXRD-UHFFFAOYSA-N 2 1 407.562 3.751 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001126962618 1074153693 /nfs/dbraw/zinc/15/36/93/1074153693.db2.gz ZNVNNVISDBZYJK-PQNGQFLHSA-N 2 1 405.586 3.781 20 0 HHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000573248580 1074323486 /nfs/dbraw/zinc/32/34/86/1074323486.db2.gz YUNLGCABAKJMAU-OAHLLOKOSA-N 2 1 404.440 3.708 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000591545362 1074381491 /nfs/dbraw/zinc/38/14/91/1074381491.db2.gz FZPNTZQLOZMDOS-RXVVDRJESA-N 2 1 407.002 3.897 20 0 HHADMP O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)N1CC[NH+](C2CC2)CC1 ZINC000591552698 1074402331 /nfs/dbraw/zinc/40/23/31/1074402331.db2.gz YAINMRBGAYKGMM-UHFFFAOYSA-N 2 1 418.585 3.939 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCC[C@H](C)C2)C1 ZINC000591554617 1074404091 /nfs/dbraw/zinc/40/40/91/1074404091.db2.gz AYRFBQCSULRWQS-LEWJYISDSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000591554617 1074404095 /nfs/dbraw/zinc/40/40/95/1074404095.db2.gz AYRFBQCSULRWQS-LEWJYISDSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)C1 ZINC000591554617 1074404099 /nfs/dbraw/zinc/40/40/99/1074404099.db2.gz AYRFBQCSULRWQS-LEWJYISDSA-N 2 1 400.611 3.838 20 0 HHADMP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000591571102 1074416856 /nfs/dbraw/zinc/41/68/56/1074416856.db2.gz BTVQGIYAEBOZQQ-MRXNPFEDSA-N 2 1 401.382 3.551 20 0 HHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000591580921 1074424357 /nfs/dbraw/zinc/42/43/57/1074424357.db2.gz BPXBHVARWPCJPZ-UXHICEINSA-N 2 1 404.624 3.620 20 0 HHADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000760889083 1074522900 /nfs/dbraw/zinc/52/29/00/1074522900.db2.gz YCZHVHCDJYOFGV-FGZHOGPDSA-N 2 1 414.981 3.988 20 0 HHADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000760889083 1074522903 /nfs/dbraw/zinc/52/29/03/1074522903.db2.gz YCZHVHCDJYOFGV-FGZHOGPDSA-N 2 1 414.981 3.988 20 0 HHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3cccc(-c4ccccn4)c3)CC2)C[C@H](C)O1 ZINC000574200627 1075174132 /nfs/dbraw/zinc/17/41/32/1075174132.db2.gz DFEUNOYGUPBTDW-OYRHEFFESA-N 2 1 409.574 3.839 20 0 HHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3cccc(-c4ccccn4)c3)CC2)C[C@H](C)O1 ZINC000574200627 1075174133 /nfs/dbraw/zinc/17/41/33/1075174133.db2.gz DFEUNOYGUPBTDW-OYRHEFFESA-N 2 1 409.574 3.839 20 0 HHADMP C[C@@H](CNC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000593499403 1075204388 /nfs/dbraw/zinc/20/43/88/1075204388.db2.gz WLYKNQFFOUSZEW-IBGZPJMESA-N 2 1 410.562 3.585 20 0 HHADMP C[C@H](CC[NH+](C)C)NC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000596420133 1075559610 /nfs/dbraw/zinc/55/96/10/1075559610.db2.gz LVKZGXHCXAOEQV-CQSZACIVSA-N 2 1 401.382 3.597 20 0 HHADMP C[NH+]1CCC(Oc2ccnc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2)CC1 ZINC001164628438 719110299 /nfs/dbraw/zinc/11/02/99/719110299.db2.gz MVOXFYPACPWBOG-QPPBQGQZSA-N 2 1 406.574 3.655 20 0 HHADMP c1ccc(C[N@@H+]2C[C@H]3CCCN(c4ccc(OCC5CC[NH2+]CC5)cn4)[C@@H]3C2)cc1 ZINC001164621616 719111125 /nfs/dbraw/zinc/11/11/25/719111125.db2.gz AIGUNJJEMLFYBB-ISKFKSNPSA-N 2 1 406.574 3.561 20 0 HHADMP C[N@@H+](Cc1ccc(N(c2cccc(F)c2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc1)C1CC1 ZINC001164646395 719297363 /nfs/dbraw/zinc/29/73/63/719297363.db2.gz BEERFEIBVOXOEW-ISKFKSNPSA-N 2 1 410.537 3.864 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2nc3ccccc3nc2Cl)c2c1CC[NH2+]C2 ZINC001164681116 719629199 /nfs/dbraw/zinc/62/91/99/719629199.db2.gz AXEBBBQJWYNEAP-UHFFFAOYSA-N 2 1 420.895 3.563 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2nc3ccccc3nc2Cl)c2c1CC[NH2+]C2 ZINC001164681116 719629207 /nfs/dbraw/zinc/62/92/07/719629207.db2.gz AXEBBBQJWYNEAP-UHFFFAOYSA-N 2 1 420.895 3.563 20 0 HHADMP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3c([nH+]1)CCCC3)CC2 ZINC001164718022 720111968 /nfs/dbraw/zinc/11/19/68/720111968.db2.gz QICMJHLRPPIDNI-JOCHJYFZSA-N 2 1 406.574 3.863 20 0 HHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3c([nH+]1)CCCC3)CC2 ZINC001164718022 720111972 /nfs/dbraw/zinc/11/19/72/720111972.db2.gz QICMJHLRPPIDNI-JOCHJYFZSA-N 2 1 406.574 3.863 20 0 HHADMP Cc1nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cc(N2CCCC2)[nH+]1 ZINC001164839184 720666674 /nfs/dbraw/zinc/66/66/74/720666674.db2.gz JDBVKPSKUWWMDA-JOCHJYFZSA-N 2 1 421.589 3.645 20 0 HHADMP Cc1nc(N2CCCC2)cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH+]1 ZINC001164839184 720666681 /nfs/dbraw/zinc/66/66/81/720666681.db2.gz JDBVKPSKUWWMDA-JOCHJYFZSA-N 2 1 421.589 3.645 20 0 HHADMP Cc1nc(N2CCCC2)cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH+]1 ZINC001164839184 720666685 /nfs/dbraw/zinc/66/66/85/720666685.db2.gz JDBVKPSKUWWMDA-JOCHJYFZSA-N 2 1 421.589 3.645 20 0 HHADMP Cc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]c1C ZINC001164758796 720884416 /nfs/dbraw/zinc/88/44/16/720884416.db2.gz ZNUSIESFCOCMHW-UKILVPOCSA-N 2 1 406.574 3.849 20 0 HHADMP Cc1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]c1C ZINC001164758796 720884419 /nfs/dbraw/zinc/88/44/19/720884419.db2.gz ZNUSIESFCOCMHW-UKILVPOCSA-N 2 1 406.574 3.849 20 0 HHADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4[nH+]c(N5CCCC5)cc5ccccc54)C[C@H]3C2)cn1 ZINC001164771862 721210804 /nfs/dbraw/zinc/21/08/04/721210804.db2.gz RLEKCFBXZRZMFZ-FCHUYYIVSA-N 2 1 416.573 3.527 20 0 HHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCc3coc(-c4ccc(C)cc4)n3)CC2)CC1 ZINC000553085365 1013054730 /nfs/dbraw/zinc/05/47/30/1013054730.db2.gz UJSHOYXICWSVJX-UHFFFAOYSA-N 2 1 424.589 3.505 20 0 HHADMP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000303004810 971448229 /nfs/dbraw/zinc/44/82/29/971448229.db2.gz PACNOAWVSDCBES-OAQYLSRUSA-N 2 1 415.528 3.767 20 0 HHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)C[C@H](C)O1 ZINC000303132442 971519518 /nfs/dbraw/zinc/51/95/18/971519518.db2.gz IPXGSSVBMXJOQF-HOTGVXAUSA-N 2 1 404.942 3.711 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000303164423 971537601 /nfs/dbraw/zinc/53/76/01/971537601.db2.gz FRVZLOQCUUNFTR-FGZHOGPDSA-N 2 1 412.622 3.731 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2cc(Br)ccc2o1 ZINC000303189551 971551192 /nfs/dbraw/zinc/55/11/92/971551192.db2.gz ZVZCVMCAGRTEIN-KRWDZBQOSA-N 2 1 422.367 3.683 20 0 HHADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000303424379 971705311 /nfs/dbraw/zinc/70/53/11/971705311.db2.gz AGTCAPCKCPJKHP-GLCCWIKHSA-N 2 1 422.573 3.911 20 0 HHADMP CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000524300485 1013111822 /nfs/dbraw/zinc/11/18/22/1013111822.db2.gz RVFRQGIXOIVZNB-VQIMIIECSA-N 2 1 400.394 3.860 20 0 HHADMP C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000303609713 971897381 /nfs/dbraw/zinc/89/73/81/971897381.db2.gz AYQTWFXSPWQBNG-UGKGYDQZSA-N 2 1 417.594 3.655 20 0 HHADMP CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000303642188 971921106 /nfs/dbraw/zinc/92/11/06/971921106.db2.gz VRWWHHCRNHGHAW-SFTDATJTSA-N 2 1 415.622 3.880 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000303642188 971921113 /nfs/dbraw/zinc/92/11/13/971921113.db2.gz VRWWHHCRNHGHAW-SFTDATJTSA-N 2 1 415.622 3.880 20 0 HHADMP CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000303642183 971921417 /nfs/dbraw/zinc/92/14/17/971921417.db2.gz VRWWHHCRNHGHAW-NHCUHLMSSA-N 2 1 415.622 3.880 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000303642183 971921423 /nfs/dbraw/zinc/92/14/23/971921423.db2.gz VRWWHHCRNHGHAW-NHCUHLMSSA-N 2 1 415.622 3.880 20 0 HHADMP C[C@@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)C(=O)NCCc1cccs1 ZINC000303775537 972020585 /nfs/dbraw/zinc/02/05/85/972020585.db2.gz HTIPEDKCEQUGIL-GOSISDBHSA-N 2 1 414.619 3.685 20 0 HHADMP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000542185559 1013126005 /nfs/dbraw/zinc/12/60/05/1013126005.db2.gz MBEKXMXJHFPETN-JQVVWYNYSA-N 2 1 423.557 3.691 20 0 HHADMP Cc1nn(-c2ccccc2)cc1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000537621040 1013165616 /nfs/dbraw/zinc/16/56/16/1013165616.db2.gz RRDLDRLLUXUKJP-UHFFFAOYSA-N 2 1 409.622 3.809 20 0 HHADMP CN(C)C(=O)COc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000537630358 1013184221 /nfs/dbraw/zinc/18/42/21/1013184221.db2.gz QWNVPYIBNQELOS-SANMLTNESA-N 2 1 421.585 3.642 20 0 HHADMP CN(C)C(=O)COc1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000537630358 1013184227 /nfs/dbraw/zinc/18/42/27/1013184227.db2.gz QWNVPYIBNQELOS-SANMLTNESA-N 2 1 421.585 3.642 20 0 HHADMP CN(C)C(=O)COc1ccccc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000537630358 1013184232 /nfs/dbraw/zinc/18/42/32/1013184232.db2.gz QWNVPYIBNQELOS-SANMLTNESA-N 2 1 421.585 3.642 20 0 HHADMP CN(C)C(=O)COc1ccccc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000537630358 1013184240 /nfs/dbraw/zinc/18/42/40/1013184240.db2.gz QWNVPYIBNQELOS-SANMLTNESA-N 2 1 421.585 3.642 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(-c2nc(C)cs2)c1 ZINC000303855933 972396797 /nfs/dbraw/zinc/39/67/97/972396797.db2.gz VTBXIOJACAZABA-FQEVSTJZSA-N 2 1 400.592 3.607 20 0 HHADMP COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1OCCC(C)C ZINC000537661953 1013222985 /nfs/dbraw/zinc/22/29/85/1013222985.db2.gz XXYGGYWUZGWGQE-JOCHJYFZSA-N 2 1 403.611 3.720 20 0 HHADMP COc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1OCc1ccccc1 ZINC000537695282 1013260234 /nfs/dbraw/zinc/26/02/34/1013260234.db2.gz JHWMSHLBGZNHEK-WMTXJRDZSA-N 2 1 410.558 3.958 20 0 HHADMP COc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1OCc1ccccc1 ZINC000537695282 1013260238 /nfs/dbraw/zinc/26/02/38/1013260238.db2.gz JHWMSHLBGZNHEK-WMTXJRDZSA-N 2 1 410.558 3.958 20 0 HHADMP Cn1cc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c(C2CCCCC2)n1 ZINC000542316989 1013273759 /nfs/dbraw/zinc/27/37/59/1013273759.db2.gz MZWSFPYINHKYHZ-FQEVSTJZSA-N 2 1 401.624 3.608 20 0 HHADMP COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000553386067 1013318222 /nfs/dbraw/zinc/31/82/22/1013318222.db2.gz PFENPGJRJUOQMC-XMMPIXPASA-N 2 1 421.585 3.546 20 0 HHADMP O=C(NCC[NH+]1CCCCC1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000542408819 1013361333 /nfs/dbraw/zinc/36/13/33/1013361333.db2.gz QIZIVFPDULDSKB-UHFFFAOYSA-N 2 1 413.393 3.743 20 0 HHADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537812351 1013375724 /nfs/dbraw/zinc/37/57/24/1013375724.db2.gz SBZZIXGMPJRYAH-HSZRJFAPSA-N 2 1 421.589 3.604 20 0 HHADMP CCOc1c(Br)cc(C[NH2+]C2CC[NH+](C)CC2)cc1Br ZINC000017314015 963185512 /nfs/dbraw/zinc/18/55/12/963185512.db2.gz IEEHARIDBZQEMT-UHFFFAOYSA-N 2 1 406.162 3.794 20 0 HHADMP C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537841733 1013403068 /nfs/dbraw/zinc/40/30/68/1013403068.db2.gz NKHLXCBGAPRDKC-INIZCTEOSA-N 2 1 402.489 3.925 20 0 HHADMP COc1cccc(C[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C2CCC(O)CC2)c1 ZINC000542467600 1013415603 /nfs/dbraw/zinc/41/56/03/1013415603.db2.gz MOQJYTHIVDNDCH-UHFFFAOYSA-N 2 1 406.530 3.890 20 0 HHADMP CCOc1ccc(Cl)cc1CCNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000553535036 1013432330 /nfs/dbraw/zinc/43/23/30/1013432330.db2.gz UKADTNAEKBUHNA-UHFFFAOYSA-N 2 1 422.013 3.594 20 0 HHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)CC1 ZINC000537863128 1013436148 /nfs/dbraw/zinc/43/61/48/1013436148.db2.gz MMCMIDBAGHTCLW-OAHLLOKOSA-N 2 1 401.624 3.951 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)CC1 ZINC000537863128 1013436154 /nfs/dbraw/zinc/43/61/54/1013436154.db2.gz MMCMIDBAGHTCLW-OAHLLOKOSA-N 2 1 401.624 3.951 20 0 HHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(Cc3c(F)cccc3F)C3CC3)CC2)CC1 ZINC000553557811 1013454728 /nfs/dbraw/zinc/45/47/28/1013454728.db2.gz AYPVUNVYXVIJNW-UHFFFAOYSA-N 2 1 405.533 3.652 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537878062 1013456271 /nfs/dbraw/zinc/45/62/71/1013456271.db2.gz FJACRXLARIDHHU-UHFFFAOYSA-N 2 1 409.578 3.638 20 0 HHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CCCn1cc[nH+]c1C ZINC000048750437 964052861 /nfs/dbraw/zinc/05/28/61/964052861.db2.gz AGOJAVVHEGTPII-UHFFFAOYSA-N 2 1 402.340 3.936 20 0 HHADMP C[C@H]([NH2+]CC(=O)N[C@H](c1nccs1)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529799 1013471620 /nfs/dbraw/zinc/47/16/20/1013471620.db2.gz TXXHSINZVJMEKL-JLMWRMLUSA-N 2 1 412.603 3.591 20 0 HHADMP C[C@H]([NH2+]CC(=O)N[C@H](c1nccs1)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529799 1013471630 /nfs/dbraw/zinc/47/16/30/1013471630.db2.gz TXXHSINZVJMEKL-JLMWRMLUSA-N 2 1 412.603 3.591 20 0 HHADMP COc1ccc([C@H](NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C(C)C)cc1 ZINC000542534239 1013479280 /nfs/dbraw/zinc/47/92/80/1013479280.db2.gz RFLSUJMHWNNPEY-DRMXPCRNSA-N 2 1 401.595 3.751 20 0 HHADMP COc1ccc([C@H](NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C(C)C)cc1 ZINC000542534239 1013479285 /nfs/dbraw/zinc/47/92/85/1013479285.db2.gz RFLSUJMHWNNPEY-DRMXPCRNSA-N 2 1 401.595 3.751 20 0 HHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](C)[C@@H](C)c3ccccc3)CC2)cc1 ZINC000542543081 1013488090 /nfs/dbraw/zinc/48/80/90/1013488090.db2.gz COHKOBFDASSFSM-RTWAWAEBSA-N 2 1 409.574 3.511 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](C)[C@@H](C)c3ccccc3)CC2)cc1 ZINC000542543081 1013488096 /nfs/dbraw/zinc/48/80/96/1013488096.db2.gz COHKOBFDASSFSM-RTWAWAEBSA-N 2 1 409.574 3.511 20 0 HHADMP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051189716 964488283 /nfs/dbraw/zinc/48/82/83/964488283.db2.gz XZTVQYDTAYHBLR-UHFFFAOYSA-N 2 1 416.013 3.541 20 0 HHADMP CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000542593965 1013533201 /nfs/dbraw/zinc/53/32/01/1013533201.db2.gz YZPVISLFKJLGAT-RTWAWAEBSA-N 2 1 414.638 3.877 20 0 HHADMP Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cnn1-c1ccc(F)cc1 ZINC000537958354 1013537793 /nfs/dbraw/zinc/53/77/93/1013537793.db2.gz QUOIURHRALHPHH-PBNUPURSSA-N 2 1 400.542 3.738 20 0 HHADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000537959487 1013539741 /nfs/dbraw/zinc/53/97/41/1013539741.db2.gz JKRSZNAOITZXKV-CWFSZBLJSA-N 2 1 400.592 3.932 20 0 HHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H]3c3ccccc3)CC2)cc1 ZINC000028173529 965049392 /nfs/dbraw/zinc/04/93/92/965049392.db2.gz RIKIOCIJOMUTRZ-XMMPIXPASA-N 2 1 407.558 3.567 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H]3c3ccccc3)CC2)cc1 ZINC000028173529 965049411 /nfs/dbraw/zinc/04/94/11/965049411.db2.gz RIKIOCIJOMUTRZ-XMMPIXPASA-N 2 1 407.558 3.567 20 0 HHADMP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3c3ccccc3)CC2)cc1 ZINC000028173529 965049424 /nfs/dbraw/zinc/04/94/24/965049424.db2.gz RIKIOCIJOMUTRZ-XMMPIXPASA-N 2 1 407.558 3.567 20 0 HHADMP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3c3ccccc3)CC2)cc1 ZINC000028173529 965049438 /nfs/dbraw/zinc/04/94/38/965049438.db2.gz RIKIOCIJOMUTRZ-XMMPIXPASA-N 2 1 407.558 3.567 20 0 HHADMP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C3CC[NH+](Cc4nccn4C)CC3)cc2)C1 ZINC000053190972 965085674 /nfs/dbraw/zinc/08/56/74/965085674.db2.gz YNHXUMGCKRVRJS-LJQANCHMSA-N 2 1 409.578 3.503 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3CC[NH+](Cc4nccn4C)CC3)cc2)C1 ZINC000053190972 965085684 /nfs/dbraw/zinc/08/56/84/965085684.db2.gz YNHXUMGCKRVRJS-LJQANCHMSA-N 2 1 409.578 3.503 20 0 HHADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000537975359 1013551792 /nfs/dbraw/zinc/55/17/92/1013551792.db2.gz MGXXYGVXHZOHBA-LJQANCHMSA-N 2 1 422.013 3.702 20 0 HHADMP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000537975358 1013552074 /nfs/dbraw/zinc/55/20/74/1013552074.db2.gz MGXXYGVXHZOHBA-IBGZPJMESA-N 2 1 422.013 3.702 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NCC3([NH+](C)C)CCCCCC3)cc2)C[C@@H](C)O1 ZINC000028940985 965222811 /nfs/dbraw/zinc/22/28/11/965222811.db2.gz GKMAXZROEYUQOB-WOJBJXKFSA-N 2 1 401.595 3.680 20 0 HHADMP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)C2=O)c1 ZINC000537983498 1013559013 /nfs/dbraw/zinc/55/90/13/1013559013.db2.gz NWWLPJIYOPGRQT-HJPURHCSSA-N 2 1 420.513 3.654 20 0 HHADMP COc1ccc([C@@H](CNC(=O)C[N@H+](C)[C@@H]2CCc3ccccc32)[NH+]2CCCCC2)cc1 ZINC000029811027 965510474 /nfs/dbraw/zinc/51/04/74/965510474.db2.gz XRIPMCDXJRIPFK-JWQCQUIFSA-N 2 1 421.585 3.958 20 0 HHADMP COc1ccc([C@@H](CNC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)[NH+]2CCCCC2)cc1 ZINC000029811027 965510486 /nfs/dbraw/zinc/51/04/86/965510486.db2.gz XRIPMCDXJRIPFK-JWQCQUIFSA-N 2 1 421.585 3.958 20 0 HHADMP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000058416302 965723914 /nfs/dbraw/zinc/72/39/14/965723914.db2.gz XHYSNPMBWDGQEY-UHFFFAOYSA-N 2 1 422.017 3.820 20 0 HHADMP Cc1cccc([C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000553796191 1013621050 /nfs/dbraw/zinc/62/10/50/1013621050.db2.gz MYDHTLNPMQQYRF-OBDYRVMHSA-N 2 1 417.597 3.765 20 0 HHADMP Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000553796191 1013621052 /nfs/dbraw/zinc/62/10/52/1013621052.db2.gz MYDHTLNPMQQYRF-OBDYRVMHSA-N 2 1 417.597 3.765 20 0 HHADMP Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000553796191 1013621056 /nfs/dbraw/zinc/62/10/56/1013621056.db2.gz MYDHTLNPMQQYRF-OBDYRVMHSA-N 2 1 417.597 3.765 20 0 HHADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000060335598 966095124 /nfs/dbraw/zinc/09/51/24/966095124.db2.gz VXHGAWBVIFUHLK-RUZDIDTESA-N 2 1 420.601 3.817 20 0 HHADMP CCC[N@@H+](C)[C@@H](CNC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1 ZINC000553804003 1013626978 /nfs/dbraw/zinc/62/69/78/1013626978.db2.gz FOIWUAJPNQTFHI-NRFANRHFSA-N 2 1 407.002 3.897 20 0 HHADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000542715715 1013628211 /nfs/dbraw/zinc/62/82/11/1013628211.db2.gz ZRUUMWGCJOYDKA-WOJBJXKFSA-N 2 1 400.611 3.933 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000056813633 966477321 /nfs/dbraw/zinc/47/73/21/966477321.db2.gz BYINAUVFGIGINX-UHFFFAOYSA-N 2 1 400.611 3.934 20 0 HHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000061530464 966491852 /nfs/dbraw/zinc/49/18/52/966491852.db2.gz GMWNEIBWAZNPGH-DEOSSOPVSA-N 2 1 408.590 3.992 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1Cl ZINC000063407903 966847719 /nfs/dbraw/zinc/84/77/19/966847719.db2.gz LWUDHZRLEQVSOK-OAQYLSRUSA-N 2 1 407.002 3.897 20 0 HHADMP CN(CCC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1)c1cc[nH+]cc1 ZINC000542787079 1013681072 /nfs/dbraw/zinc/68/10/72/1013681072.db2.gz QKXWTABJBBPEJK-UHFFFAOYSA-N 2 1 420.479 3.661 20 0 HHADMP C[N@@H+](CCCNC(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC000063464681 966868523 /nfs/dbraw/zinc/86/85/23/966868523.db2.gz NPGSMQQYGQUSLB-JOCHJYFZSA-N 2 1 400.611 3.852 20 0 HHADMP C[NH+](CCCNC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000063464681 966868527 /nfs/dbraw/zinc/86/85/27/966868527.db2.gz NPGSMQQYGQUSLB-JOCHJYFZSA-N 2 1 400.611 3.852 20 0 HHADMP C[NH+](CCCNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000063464681 966868530 /nfs/dbraw/zinc/86/85/30/966868530.db2.gz NPGSMQQYGQUSLB-JOCHJYFZSA-N 2 1 400.611 3.852 20 0 HHADMP COC(=O)COc1c(C)cc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)cc1C ZINC000063915072 966997068 /nfs/dbraw/zinc/99/70/68/966997068.db2.gz XTRJLXQTXBDREW-UHFFFAOYSA-N 2 1 410.558 3.918 20 0 HHADMP C[N@@H+](CCCNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)C1CCCCC1 ZINC000064644613 967259153 /nfs/dbraw/zinc/25/91/53/967259153.db2.gz PMTDURPTRSNESW-IBGZPJMESA-N 2 1 406.640 3.914 20 0 HHADMP C[NH+](CCCNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CCCCC1 ZINC000064644613 967259161 /nfs/dbraw/zinc/25/91/61/967259161.db2.gz PMTDURPTRSNESW-IBGZPJMESA-N 2 1 406.640 3.914 20 0 HHADMP C[NH+](CCCNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CCCCC1 ZINC000064644613 967259171 /nfs/dbraw/zinc/25/91/71/967259171.db2.gz PMTDURPTRSNESW-IBGZPJMESA-N 2 1 406.640 3.914 20 0 HHADMP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542954915 1013785691 /nfs/dbraw/zinc/78/56/91/1013785691.db2.gz SUIZOWBEWCTKQA-XPGWFJOJSA-N 2 1 422.976 3.929 20 0 HHADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542954915 1013785697 /nfs/dbraw/zinc/78/56/97/1013785697.db2.gz SUIZOWBEWCTKQA-XPGWFJOJSA-N 2 1 422.976 3.929 20 0 HHADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542954915 1013785701 /nfs/dbraw/zinc/78/57/01/1013785701.db2.gz SUIZOWBEWCTKQA-XPGWFJOJSA-N 2 1 422.976 3.929 20 0 HHADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542954915 1013785708 /nfs/dbraw/zinc/78/57/08/1013785708.db2.gz SUIZOWBEWCTKQA-XPGWFJOJSA-N 2 1 422.976 3.929 20 0 HHADMP CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000065827095 968665432 /nfs/dbraw/zinc/66/54/32/968665432.db2.gz YOOYEFRLTBHZLZ-REWPJTCUSA-N 2 1 409.574 3.973 20 0 HHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)c2cccs2)CC1 ZINC000538281075 1013819117 /nfs/dbraw/zinc/81/91/17/1013819117.db2.gz JDGSRRUFPJZRNK-IBGZPJMESA-N 2 1 415.994 3.870 20 0 HHADMP C[NH+]1CCC2(CC1)C[C@H]([NH2+][C@@H]1CCN(c3ccccc3F)C1=O)c1ccccc1O2 ZINC000538297466 1013832992 /nfs/dbraw/zinc/83/29/92/1013832992.db2.gz SLJJEMVWCDVJTD-UXHICEINSA-N 2 1 409.505 3.509 20 0 HHADMP COCC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@H](C)c1ccccc1 ZINC000554208070 1013852166 /nfs/dbraw/zinc/85/21/66/1013852166.db2.gz AVFIXTGKTYGQLH-JOCHJYFZSA-N 2 1 423.601 3.785 20 0 HHADMP COCC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@H](C)c1ccccc1 ZINC000554208070 1013852173 /nfs/dbraw/zinc/85/21/73/1013852173.db2.gz AVFIXTGKTYGQLH-JOCHJYFZSA-N 2 1 423.601 3.785 20 0 HHADMP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000109304703 969495007 /nfs/dbraw/zinc/49/50/07/969495007.db2.gz YCKSCJJZJKHCME-UHFFFAOYSA-N 2 1 424.376 3.562 20 0 HHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3C[C@H](C)C[C@@H]3c3cccnc3)CC2)cc1 ZINC000554262628 1013882849 /nfs/dbraw/zinc/88/28/49/1013882849.db2.gz BRGOKJYYXJYBAH-ZJSXRUAMSA-N 2 1 406.574 3.507 20 0 HHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3C[C@H](C)C[C@@H]3c3cccnc3)CC2)cc1 ZINC000554262628 1013882853 /nfs/dbraw/zinc/88/28/53/1013882853.db2.gz BRGOKJYYXJYBAH-ZJSXRUAMSA-N 2 1 406.574 3.507 20 0 HHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@H](C)C[C@@H]3c3cccnc3)CC2)cc1 ZINC000554262628 1013882857 /nfs/dbraw/zinc/88/28/57/1013882857.db2.gz BRGOKJYYXJYBAH-ZJSXRUAMSA-N 2 1 406.574 3.507 20 0 HHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3C[C@H](C)C[C@@H]3c3cccnc3)CC2)cc1 ZINC000554262628 1013882866 /nfs/dbraw/zinc/88/28/66/1013882866.db2.gz BRGOKJYYXJYBAH-ZJSXRUAMSA-N 2 1 406.574 3.507 20 0 HHADMP C[C@@H]1C[C@H](c2cccnc2)[NH+](CC2(C[N@@H+]3C[C@H](C)C[C@@H]3c3cccnc3)COC2)C1 ZINC000554272968 1013886839 /nfs/dbraw/zinc/88/68/39/1013886839.db2.gz ZEDGYGSQQFHTQD-FAYOUJPWSA-N 2 1 406.574 3.959 20 0 HHADMP C[C@@H]1C[C@H](c2cccnc2)[NH+](CC2(C[N@H+]3C[C@H](C)C[C@@H]3c3cccnc3)COC2)C1 ZINC000554272968 1013886841 /nfs/dbraw/zinc/88/68/41/1013886841.db2.gz ZEDGYGSQQFHTQD-FAYOUJPWSA-N 2 1 406.574 3.959 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CC2)cs1 ZINC000110548553 969684738 /nfs/dbraw/zinc/68/47/38/969684738.db2.gz GBOXOANAYRYVIH-UHFFFAOYSA-N 2 1 412.603 3.576 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)NCC2(c3ccccc3)CC2)CC1 ZINC000110910341 969740008 /nfs/dbraw/zinc/74/00/08/969740008.db2.gz BTKWSAIAVHNKTQ-UHFFFAOYSA-N 2 1 405.586 3.678 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000554372942 1013924835 /nfs/dbraw/zinc/92/48/35/1013924835.db2.gz AMDPUZUWPJKAIM-MISYRCLQSA-N 2 1 411.512 3.963 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)CC[N@H+]1Cc1ccccc1 ZINC000554372942 1013924841 /nfs/dbraw/zinc/92/48/41/1013924841.db2.gz AMDPUZUWPJKAIM-MISYRCLQSA-N 2 1 411.512 3.963 20 0 HHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000228130694 970122469 /nfs/dbraw/zinc/12/24/69/970122469.db2.gz ZUHRIOFBCWDMPL-FGZHOGPDSA-N 2 1 411.615 3.989 20 0 HHADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000228130694 970122473 /nfs/dbraw/zinc/12/24/73/970122473.db2.gz ZUHRIOFBCWDMPL-FGZHOGPDSA-N 2 1 411.615 3.989 20 0 HHADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000228130694 970122475 /nfs/dbraw/zinc/12/24/75/970122475.db2.gz ZUHRIOFBCWDMPL-FGZHOGPDSA-N 2 1 411.615 3.989 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cccc(OC)c2OC)CC1 ZINC000236985684 970201153 /nfs/dbraw/zinc/20/11/53/970201153.db2.gz SJVIQOLVOOJSOX-KRWDZBQOSA-N 2 1 401.526 3.836 20 0 HHADMP COc1ccc(NC(=O)C[C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000237298225 970257494 /nfs/dbraw/zinc/25/74/94/970257494.db2.gz BRHGXAPYDPKXDM-SFHVURJKSA-N 2 1 411.546 3.675 20 0 HHADMP COc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1OCc1cccs1 ZINC000237356213 970269200 /nfs/dbraw/zinc/26/92/00/970269200.db2.gz ONOZNILLFHKJKY-IBGZPJMESA-N 2 1 416.587 3.926 20 0 HHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C[C@H](C)O1 ZINC000237609805 970322323 /nfs/dbraw/zinc/32/23/23/970322323.db2.gz DZQOYDMHMVTMKY-CALCHBBNSA-N 2 1 410.484 3.870 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000554575222 1013980686 /nfs/dbraw/zinc/98/06/86/1013980686.db2.gz BKPOTXYVJTWGTB-REWPJTCUSA-N 2 1 400.611 3.659 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000554575222 1013980688 /nfs/dbraw/zinc/98/06/88/1013980688.db2.gz BKPOTXYVJTWGTB-REWPJTCUSA-N 2 1 400.611 3.659 20 0 HHADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000554575222 1013980690 /nfs/dbraw/zinc/98/06/90/1013980690.db2.gz BKPOTXYVJTWGTB-REWPJTCUSA-N 2 1 400.611 3.659 20 0 HHADMP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000237855547 970382167 /nfs/dbraw/zinc/38/21/67/970382167.db2.gz NDKMSFMRVBWZDP-FQEVSTJZSA-N 2 1 404.986 3.528 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cc(Cl)cc(Cl)c3)c2)C1 ZINC000237915407 970392595 /nfs/dbraw/zinc/39/25/95/970392595.db2.gz PHOUFSXAMDIAMC-GOSISDBHSA-N 2 1 406.357 3.981 20 0 HHADMP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc(CSC(F)F)o3)c2)C1 ZINC000237915918 970392825 /nfs/dbraw/zinc/39/28/25/970392825.db2.gz GGBVBAZOJMLXND-QGZVFWFLSA-N 2 1 423.529 3.723 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(CSC(F)F)o3)c2)C1 ZINC000237915918 970392838 /nfs/dbraw/zinc/39/28/38/970392838.db2.gz GGBVBAZOJMLXND-QGZVFWFLSA-N 2 1 423.529 3.723 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(OC(F)(F)F)c3)c2)C1 ZINC000237934741 970398950 /nfs/dbraw/zinc/39/89/50/970398950.db2.gz AUNHGWYKHBVMQS-IBGZPJMESA-N 2 1 421.463 3.572 20 0 HHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000237965452 970407761 /nfs/dbraw/zinc/40/77/61/970407761.db2.gz YTHVIGBKDLXYTE-NRFANRHFSA-N 2 1 410.587 3.927 20 0 HHADMP CCOc1c(Br)cc(C[NH2+]C[C@H](C)C[NH+](C)C)cc1Br ZINC000312511010 972632087 /nfs/dbraw/zinc/63/20/87/972632087.db2.gz NCQGZWUPSYJZFH-NSHDSACASA-N 2 1 408.178 3.898 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000398164274 972878047 /nfs/dbraw/zinc/87/80/47/972878047.db2.gz SRXLERZEWMWTEX-CZAAIQMYSA-N 2 1 403.364 3.983 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410310136 973850994 /nfs/dbraw/zinc/85/09/94/973850994.db2.gz HQRQBPZLOSACFY-NRFANRHFSA-N 2 1 400.611 3.647 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000410351752 973941505 /nfs/dbraw/zinc/94/15/05/973941505.db2.gz HHSKISXUUMTAAA-SQJMNOBHSA-N 2 1 420.601 3.992 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000410351752 973941519 /nfs/dbraw/zinc/94/15/19/973941519.db2.gz HHSKISXUUMTAAA-SQJMNOBHSA-N 2 1 420.601 3.992 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000410351752 973941550 /nfs/dbraw/zinc/94/15/50/973941550.db2.gz HHSKISXUUMTAAA-SQJMNOBHSA-N 2 1 420.601 3.992 20 0 HHADMP CC[N@@H+](CCNC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1)CCC(F)(F)F ZINC000425995999 974109964 /nfs/dbraw/zinc/10/99/64/974109964.db2.gz NXSIUMKCLISUEY-WBVHZDCISA-N 2 1 420.545 3.705 20 0 HHADMP CC[NH+](CCNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)CCC(F)(F)F ZINC000425995999 974109969 /nfs/dbraw/zinc/10/99/69/974109969.db2.gz NXSIUMKCLISUEY-WBVHZDCISA-N 2 1 420.545 3.705 20 0 HHADMP CC[NH+](CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)CCC(F)(F)F ZINC000425995999 974109979 /nfs/dbraw/zinc/10/99/79/974109979.db2.gz NXSIUMKCLISUEY-WBVHZDCISA-N 2 1 420.545 3.705 20 0 HHADMP Cc1ccc(NC(=O)C2(C[NH+](C)C)CCCCC2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000426132744 974254088 /nfs/dbraw/zinc/25/40/88/974254088.db2.gz BFSUBLJEAJVPEA-UHFFFAOYSA-N 2 1 414.594 3.870 20 0 HHADMP Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426769463 974645801 /nfs/dbraw/zinc/64/58/01/974645801.db2.gz JEAAPLQYQASRMB-HDICACEKSA-N 2 1 407.986 3.798 20 0 HHADMP Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426769463 974645804 /nfs/dbraw/zinc/64/58/04/974645804.db2.gz JEAAPLQYQASRMB-HDICACEKSA-N 2 1 407.986 3.798 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000426774689 974650751 /nfs/dbraw/zinc/65/07/51/974650751.db2.gz PNXJRKMMIWHWBL-HDICACEKSA-N 2 1 407.986 3.880 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000426775678 974651872 /nfs/dbraw/zinc/65/18/72/974651872.db2.gz UERWOPULXFNWHJ-CALCHBBNSA-N 2 1 422.411 3.745 20 0 HHADMP CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000426789614 974661005 /nfs/dbraw/zinc/66/10/05/974661005.db2.gz WIBMJFSOFSCDDQ-CEXWTWQISA-N 2 1 419.635 3.947 20 0 HHADMP CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000426789614 974661019 /nfs/dbraw/zinc/66/10/19/974661019.db2.gz WIBMJFSOFSCDDQ-CEXWTWQISA-N 2 1 419.635 3.947 20 0 HHADMP Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426792285 974663372 /nfs/dbraw/zinc/66/33/72/974663372.db2.gz IQVJQXNRCDEPJD-CALCHBBNSA-N 2 1 407.986 3.798 20 0 HHADMP Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426792285 974663377 /nfs/dbraw/zinc/66/33/77/974663377.db2.gz IQVJQXNRCDEPJD-CALCHBBNSA-N 2 1 407.986 3.798 20 0 HHADMP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(C)c1 ZINC000426815400 974680948 /nfs/dbraw/zinc/68/09/48/974680948.db2.gz KQXPGSZFQUXVAE-NJYVYQBISA-N 2 1 401.595 3.842 20 0 HHADMP CCOc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000426821095 974686769 /nfs/dbraw/zinc/68/67/69/974686769.db2.gz PTTXRQQWIGKWID-ZCNNSNEGSA-N 2 1 417.594 3.624 20 0 HHADMP CCOc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000426821095 974686770 /nfs/dbraw/zinc/68/67/70/974686770.db2.gz PTTXRQQWIGKWID-ZCNNSNEGSA-N 2 1 417.594 3.624 20 0 HHADMP CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000426826494 974691023 /nfs/dbraw/zinc/69/10/23/974691023.db2.gz OZBGREJQDSYGOY-QRVBRYPASA-N 2 1 419.635 3.947 20 0 HHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427846670 975319169 /nfs/dbraw/zinc/31/91/69/975319169.db2.gz ANKNMWLWKUMMON-ICSRJNTNSA-N 2 1 405.464 3.834 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CCc4nnc5n4CCCCC5)[C@H]3C2)cc1 ZINC000428204067 975528749 /nfs/dbraw/zinc/52/87/49/975528749.db2.gz HWMXJODTTPMZFC-RJGXRXQPSA-N 2 1 407.606 3.827 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000428923100 976224589 /nfs/dbraw/zinc/22/45/89/976224589.db2.gz DJMRWTSJNGWGGY-WIYYLYMNSA-N 2 1 413.528 3.883 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000428923100 976224600 /nfs/dbraw/zinc/22/46/00/976224600.db2.gz DJMRWTSJNGWGGY-WIYYLYMNSA-N 2 1 413.528 3.883 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000429250893 976539517 /nfs/dbraw/zinc/53/95/17/976539517.db2.gz BFSRLFOXWGXHNK-HNNXBMFYSA-N 2 1 407.356 3.947 20 0 HHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000429250893 976539525 /nfs/dbraw/zinc/53/95/25/976539525.db2.gz BFSRLFOXWGXHNK-HNNXBMFYSA-N 2 1 407.356 3.947 20 0 HHADMP C[NH+](C)CCc1ccccc1NC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000429636763 976927661 /nfs/dbraw/zinc/92/76/61/976927661.db2.gz URYVOUGSOBMANI-NRFANRHFSA-N 2 1 412.603 3.530 20 0 HHADMP C[NH+](C)CCc1ccccc1NC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000429636763 976927664 /nfs/dbraw/zinc/92/76/64/976927664.db2.gz URYVOUGSOBMANI-NRFANRHFSA-N 2 1 412.603 3.530 20 0 HHADMP Fc1ccc(C[N@H+]2CCCN(C[C@H]3C[NH+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000429720847 977011468 /nfs/dbraw/zinc/01/14/68/977011468.db2.gz IVGFUNGETUJRCL-VWLOTQADSA-N 2 1 411.565 3.625 20 0 HHADMP CCCCn1ncc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1CC ZINC000429822467 977093661 /nfs/dbraw/zinc/09/36/61/977093661.db2.gz UOGVDYQHZUNUJZ-UHFFFAOYSA-N 2 1 417.642 3.514 20 0 HHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430117825 977327795 /nfs/dbraw/zinc/32/77/95/977327795.db2.gz IRZAXNWMZZHNLY-FQEVSTJZSA-N 2 1 403.368 3.779 20 0 HHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000430117825 977327801 /nfs/dbraw/zinc/32/78/01/977327801.db2.gz IRZAXNWMZZHNLY-FQEVSTJZSA-N 2 1 403.368 3.779 20 0 HHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430117825 977327809 /nfs/dbraw/zinc/32/78/09/977327809.db2.gz IRZAXNWMZZHNLY-FQEVSTJZSA-N 2 1 403.368 3.779 20 0 HHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430117825 977327816 /nfs/dbraw/zinc/32/78/16/977327816.db2.gz IRZAXNWMZZHNLY-FQEVSTJZSA-N 2 1 403.368 3.779 20 0 HHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430117826 977327955 /nfs/dbraw/zinc/32/79/55/977327955.db2.gz IRZAXNWMZZHNLY-HXUWFJFHSA-N 2 1 403.368 3.779 20 0 HHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430117826 977327965 /nfs/dbraw/zinc/32/79/65/977327965.db2.gz IRZAXNWMZZHNLY-HXUWFJFHSA-N 2 1 403.368 3.779 20 0 HHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430117826 977327973 /nfs/dbraw/zinc/32/79/73/977327973.db2.gz IRZAXNWMZZHNLY-HXUWFJFHSA-N 2 1 403.368 3.779 20 0 HHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430117826 977327979 /nfs/dbraw/zinc/32/79/79/977327979.db2.gz IRZAXNWMZZHNLY-HXUWFJFHSA-N 2 1 403.368 3.779 20 0 HHADMP Cc1cccc(CSCC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430669369 977680424 /nfs/dbraw/zinc/68/04/24/977680424.db2.gz KGDICPJYCXXSJC-UHFFFAOYSA-N 2 1 417.663 3.883 20 0 HHADMP CC(C)OCc1ccc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000430679379 977689671 /nfs/dbraw/zinc/68/96/71/977689671.db2.gz LYWAKVMARYNWDM-UHFFFAOYSA-N 2 1 415.622 3.880 20 0 HHADMP C[C@@H](Sc1ccccc1)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430680868 977691775 /nfs/dbraw/zinc/69/17/75/977691775.db2.gz ZESQOBQNFSOTML-LJQANCHMSA-N 2 1 403.636 3.822 20 0 HHADMP C[C@H](SCc1ccccc1)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430683250 977693467 /nfs/dbraw/zinc/69/34/67/977693467.db2.gz VZDUCGAQJYTJTD-FQEVSTJZSA-N 2 1 417.663 3.963 20 0 HHADMP Cc1cccc(-c2noc(C[N@@H+](C)CCC3CC[NH+](C4CCN(C)CC4)CC3)n2)c1 ZINC000430912378 977881310 /nfs/dbraw/zinc/88/13/10/977881310.db2.gz KUXKXHLLAFSWJO-UHFFFAOYSA-N 2 1 411.594 3.673 20 0 HHADMP Cc1cccc(-c2noc(C[N@H+](C)CCC3CC[NH+](C4CCN(C)CC4)CC3)n2)c1 ZINC000430912378 977881320 /nfs/dbraw/zinc/88/13/20/977881320.db2.gz KUXKXHLLAFSWJO-UHFFFAOYSA-N 2 1 411.594 3.673 20 0 HHADMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(C)c1 ZINC000430925682 977891055 /nfs/dbraw/zinc/89/10/55/977891055.db2.gz LYAMJKJUPNEGQR-OAQYLSRUSA-N 2 1 414.638 3.759 20 0 HHADMP CCc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430933413 977897062 /nfs/dbraw/zinc/89/70/62/977897062.db2.gz KMYFRULWLBFBNU-FQEVSTJZSA-N 2 1 414.638 3.704 20 0 HHADMP C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430941041 977903814 /nfs/dbraw/zinc/90/38/14/977903814.db2.gz TWJWIXHSHBYKIR-GOSISDBHSA-N 2 1 411.594 3.525 20 0 HHADMP C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430941041 977903823 /nfs/dbraw/zinc/90/38/23/977903823.db2.gz TWJWIXHSHBYKIR-GOSISDBHSA-N 2 1 411.594 3.525 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2cccs2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000430978966 977924748 /nfs/dbraw/zinc/92/47/48/977924748.db2.gz MIRSIKJZNCOZIC-YZGWKJHDSA-N 2 1 400.592 3.703 20 0 HHADMP Cc1[nH]c2ccccc2c1CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430991348 977936583 /nfs/dbraw/zinc/93/65/83/977936583.db2.gz VGNIBBLYWPWITL-UHFFFAOYSA-N 2 1 410.606 3.674 20 0 HHADMP C[C@@H]1CCC[C@H](CNC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@@H]1C ZINC000431001122 977945618 /nfs/dbraw/zinc/94/56/18/977945618.db2.gz ICWBTVXMSNEJOV-KCZVDYSFSA-N 2 1 406.659 3.896 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1ccc2scnc2c1 ZINC000431203141 978090768 /nfs/dbraw/zinc/09/07/68/978090768.db2.gz NSOXDHYMFCJAIV-UHFFFAOYSA-N 2 1 415.607 3.956 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000431212305 978095502 /nfs/dbraw/zinc/09/55/02/978095502.db2.gz KSSRYMBBMWSCJQ-UHFFFAOYSA-N 2 1 411.594 3.838 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC2CC[NH+](CCC(C)C)CC2)cc1F ZINC000431624299 978393608 /nfs/dbraw/zinc/39/36/08/978393608.db2.gz VNFDWBCFHUUQFH-UHFFFAOYSA-N 2 1 415.557 3.877 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000431665505 978421522 /nfs/dbraw/zinc/42/15/22/978421522.db2.gz PGYRJJXEYABAPM-PKTZIBPZSA-N 2 1 404.643 3.793 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000431665503 978421606 /nfs/dbraw/zinc/42/16/06/978421606.db2.gz PGYRJJXEYABAPM-GOTSBHOMSA-N 2 1 404.643 3.793 20 0 HHADMP CCS[C@@H]1CCC[C@@H](NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000431666391 978422065 /nfs/dbraw/zinc/42/20/65/978422065.db2.gz SXHZQLHMIUFUCF-IFMALSPDSA-N 2 1 424.699 3.888 20 0 HHADMP Cc1cc(C)cc(CCNC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000431695862 978441443 /nfs/dbraw/zinc/44/14/43/978441443.db2.gz KNXIJWFUHQZHMF-UHFFFAOYSA-N 2 1 414.638 3.684 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000431698102 978442944 /nfs/dbraw/zinc/44/29/44/978442944.db2.gz KUIGIWWJRQPPSQ-HYBUGGRVSA-N 2 1 408.590 3.991 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000431698102 978442945 /nfs/dbraw/zinc/44/29/45/978442945.db2.gz KUIGIWWJRQPPSQ-HYBUGGRVSA-N 2 1 408.590 3.991 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000431698102 978442949 /nfs/dbraw/zinc/44/29/49/978442949.db2.gz KUIGIWWJRQPPSQ-HYBUGGRVSA-N 2 1 408.590 3.991 20 0 HHADMP C[C@H]1C[C@H](NC(=O)N2CCC[NH+](Cc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000431704399 978447675 /nfs/dbraw/zinc/44/76/75/978447675.db2.gz XARQFAFRHQMCQO-WIOPSUGQSA-N 2 1 420.601 3.957 20 0 HHADMP C[C@H]1C[C@H](NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC[NH+]1Cc1ccccc1 ZINC000431704399 978447677 /nfs/dbraw/zinc/44/76/77/978447677.db2.gz XARQFAFRHQMCQO-WIOPSUGQSA-N 2 1 420.601 3.957 20 0 HHADMP C[C@H]1C[C@H](NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC[NH+]1Cc1ccccc1 ZINC000431704399 978447678 /nfs/dbraw/zinc/44/76/78/978447678.db2.gz XARQFAFRHQMCQO-WIOPSUGQSA-N 2 1 420.601 3.957 20 0 HHADMP C[C@@H](NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1F ZINC000431873240 978566736 /nfs/dbraw/zinc/56/67/36/978566736.db2.gz SNMGOTRXFMBBJR-QGZVFWFLSA-N 2 1 422.564 3.864 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)cc2)C[C@@H](C)O1 ZINC000431902339 978588249 /nfs/dbraw/zinc/58/82/49/978588249.db2.gz ONCUYWOUHRTVTF-REHUZNOOSA-N 2 1 413.606 3.709 20 0 HHADMP CC[C@H](Cc1ccccc1)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431964864 978620798 /nfs/dbraw/zinc/62/07/98/978620798.db2.gz JIQCRTFVDDLEIJ-HSZRJFAPSA-N 2 1 414.638 3.845 20 0 HHADMP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432422044 978804764 /nfs/dbraw/zinc/80/47/64/978804764.db2.gz CFHOYZRSQNVAFP-HZPDHXFCSA-N 2 1 401.473 3.513 20 0 HHADMP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432422044 978804777 /nfs/dbraw/zinc/80/47/77/978804777.db2.gz CFHOYZRSQNVAFP-HZPDHXFCSA-N 2 1 401.473 3.513 20 0 HHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000432423216 978805557 /nfs/dbraw/zinc/80/55/57/978805557.db2.gz XBCKTJPJRSLFOI-RBUKOAKNSA-N 2 1 408.608 3.554 20 0 HHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000432423216 978805562 /nfs/dbraw/zinc/80/55/62/978805562.db2.gz XBCKTJPJRSLFOI-RBUKOAKNSA-N 2 1 408.608 3.554 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+]C2(c3nccs3)CCCC2)CC1 ZINC000432778606 978972111 /nfs/dbraw/zinc/97/21/11/978972111.db2.gz FLAFANIVUQUWJP-UHFFFAOYSA-N 2 1 412.603 3.591 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)CC1 ZINC000432835934 978987955 /nfs/dbraw/zinc/98/79/55/978987955.db2.gz KFXTUMYQCFGJES-SQJMNOBHSA-N 2 1 405.586 3.954 20 0 HHADMP Cc1ccccc1CN(C)C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433078677 979061651 /nfs/dbraw/zinc/06/16/51/979061651.db2.gz WIOBWONWGQBLMI-UHFFFAOYSA-N 2 1 405.586 3.942 20 0 HHADMP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433117826 979081138 /nfs/dbraw/zinc/08/11/38/979081138.db2.gz VKHKHUSEKJVBIM-FQEVSTJZSA-N 2 1 409.549 3.819 20 0 HHADMP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N1CCC(c2ccccc2)=N1 ZINC000433177002 979120209 /nfs/dbraw/zinc/12/02/09/979120209.db2.gz ROIYFOSVVDDFFU-UHFFFAOYSA-N 2 1 416.569 3.611 20 0 HHADMP COc1cc(C[NH+]2CCCC[C@@H]2C[C@H](C)O)cc(C[N@H+]2CCCC[C@@H]2C[C@H](C)O)c1 ZINC000433203438 979138686 /nfs/dbraw/zinc/13/86/86/979138686.db2.gz XOAMQSBXMMFFRC-UWXQAFAOSA-N 2 1 418.622 3.946 20 0 HHADMP C[C@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000433248999 979180925 /nfs/dbraw/zinc/18/09/25/979180925.db2.gz VBUMHANQOKIUGE-TWOQFEAHSA-N 2 1 420.395 3.797 20 0 HHADMP C[C@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000433248999 979180930 /nfs/dbraw/zinc/18/09/30/979180930.db2.gz VBUMHANQOKIUGE-TWOQFEAHSA-N 2 1 420.395 3.797 20 0 HHADMP Cc1cnn([C@@H]2CC[NH+](Cc3ccccc3)C2)c1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000434334551 980098148 /nfs/dbraw/zinc/09/81/48/980098148.db2.gz JXBCOFSWVLTBCZ-HSZRJFAPSA-N 2 1 417.557 3.709 20 0 HHADMP Cc1cnn([C@@H]2CC[NH+](Cc3ccccc3)C2)c1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000434334551 980098159 /nfs/dbraw/zinc/09/81/59/980098159.db2.gz JXBCOFSWVLTBCZ-HSZRJFAPSA-N 2 1 417.557 3.709 20 0 HHADMP Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C[NH+](C)Cc1ccccc1 ZINC000434334551 980098168 /nfs/dbraw/zinc/09/81/68/980098168.db2.gz JXBCOFSWVLTBCZ-HSZRJFAPSA-N 2 1 417.557 3.709 20 0 HHADMP Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)C[NH+](C)Cc1ccccc1 ZINC000434334551 980098178 /nfs/dbraw/zinc/09/81/78/980098178.db2.gz JXBCOFSWVLTBCZ-HSZRJFAPSA-N 2 1 417.557 3.709 20 0 HHADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000434349372 980109065 /nfs/dbraw/zinc/10/90/65/980109065.db2.gz HNBIFADNBQKKRS-HSZRJFAPSA-N 2 1 410.606 3.701 20 0 HHADMP O=C(NC[C@H]1CCCC[NH+]1C1CC1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000434349372 980109068 /nfs/dbraw/zinc/10/90/68/980109068.db2.gz HNBIFADNBQKKRS-HSZRJFAPSA-N 2 1 410.606 3.701 20 0 HHADMP O=C(NC[C@H]1CCCC[NH+]1C1CC1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000434349372 980109071 /nfs/dbraw/zinc/10/90/71/980109071.db2.gz HNBIFADNBQKKRS-HSZRJFAPSA-N 2 1 410.606 3.701 20 0 HHADMP C[C@@H](C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000434641601 980313872 /nfs/dbraw/zinc/31/38/72/980313872.db2.gz WYFMNDSTSZEMLS-FQEVSTJZSA-N 2 1 407.558 3.571 20 0 HHADMP C[C@@H](C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000434641601 980313874 /nfs/dbraw/zinc/31/38/74/980313874.db2.gz WYFMNDSTSZEMLS-FQEVSTJZSA-N 2 1 407.558 3.571 20 0 HHADMP O[C@H](COc1cccc2ccccc21)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434673450 980332004 /nfs/dbraw/zinc/33/20/04/980332004.db2.gz FLXBMCQYSAGBCR-QFIPXVFZSA-N 2 1 405.542 3.992 20 0 HHADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000434686214 980338975 /nfs/dbraw/zinc/33/89/75/980338975.db2.gz UPAZQMXKYLAVNL-LJQANCHMSA-N 2 1 403.954 3.801 20 0 HHADMP Cc1cc(NC(=O)c2cccc(C[NH+](C)C)c2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435692778 980989506 /nfs/dbraw/zinc/98/95/06/980989506.db2.gz KBUMESRYOUCMJG-QHCPKHFHSA-N 2 1 417.557 3.952 20 0 HHADMP CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000435747617 981014238 /nfs/dbraw/zinc/01/42/38/981014238.db2.gz AADQNZBZVHKRFJ-OAQYLSRUSA-N 2 1 413.610 3.747 20 0 HHADMP O=C(c1ccccc1O)N1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000436908563 981613907 /nfs/dbraw/zinc/61/39/07/981613907.db2.gz JNVBDBWUUBTDAB-WBDAEOGXSA-N 2 1 419.569 3.782 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000448205424 981617330 /nfs/dbraw/zinc/61/73/30/981617330.db2.gz PSUNDELAMMHPJY-NHCUHLMSSA-N 2 1 400.611 3.879 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000448214274 981628369 /nfs/dbraw/zinc/62/83/69/981628369.db2.gz PUIODCCFIAEYHE-OAQYLSRUSA-N 2 1 400.611 3.840 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000448217958 981632587 /nfs/dbraw/zinc/63/25/87/981632587.db2.gz QXYJNPKXUKCHLJ-URXFXBBRSA-N 2 1 410.606 3.618 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000448217960 981632598 /nfs/dbraw/zinc/63/25/98/981632598.db2.gz QXYJNPKXUKCHLJ-ZJSXRUAMSA-N 2 1 410.606 3.618 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccsc1 ZINC000448218259 981632876 /nfs/dbraw/zinc/63/28/76/981632876.db2.gz UFWQRWWQCNXZIV-DUXKGJEZSA-N 2 1 404.624 3.789 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000448221357 981636047 /nfs/dbraw/zinc/63/60/47/981636047.db2.gz YFUGXEHIVAWQPS-FQEVSTJZSA-N 2 1 406.640 3.627 20 0 HHADMP CCCCn1ncc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000448299287 981684087 /nfs/dbraw/zinc/68/40/87/981684087.db2.gz SKWORYWCJQHHFH-UHFFFAOYSA-N 2 1 418.630 3.652 20 0 HHADMP C[C@H](c1cccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1)N1CCOCC1 ZINC000448371254 981730449 /nfs/dbraw/zinc/73/04/49/981730449.db2.gz MJURFIRPWPIHLF-QMHWCDLVSA-N 2 1 412.578 3.560 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH+](CC(C)C)C1 ZINC000448467174 981802949 /nfs/dbraw/zinc/80/29/49/981802949.db2.gz PLJYOJUAHGTOGW-BJKOFHAPSA-N 2 1 414.638 3.908 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000448467174 981802958 /nfs/dbraw/zinc/80/29/58/981802958.db2.gz PLJYOJUAHGTOGW-BJKOFHAPSA-N 2 1 414.638 3.908 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000448467174 981802966 /nfs/dbraw/zinc/80/29/66/981802966.db2.gz PLJYOJUAHGTOGW-BJKOFHAPSA-N 2 1 414.638 3.908 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[NH+](CC(C)C)C1 ZINC000448467175 981803405 /nfs/dbraw/zinc/80/34/05/981803405.db2.gz PLJYOJUAHGTOGW-DNQXCXABSA-N 2 1 414.638 3.908 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000448467175 981803412 /nfs/dbraw/zinc/80/34/12/981803412.db2.gz PLJYOJUAHGTOGW-DNQXCXABSA-N 2 1 414.638 3.908 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000448467175 981803423 /nfs/dbraw/zinc/80/34/23/981803423.db2.gz PLJYOJUAHGTOGW-DNQXCXABSA-N 2 1 414.638 3.908 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000448472121 981813207 /nfs/dbraw/zinc/81/32/07/981813207.db2.gz NNRRTMNVLASYNP-XZOQPEGZSA-N 2 1 400.611 3.518 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000448472121 981813222 /nfs/dbraw/zinc/81/32/22/981813222.db2.gz NNRRTMNVLASYNP-XZOQPEGZSA-N 2 1 400.611 3.518 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000448472121 981813231 /nfs/dbraw/zinc/81/32/31/981813231.db2.gz NNRRTMNVLASYNP-XZOQPEGZSA-N 2 1 400.611 3.518 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000448473738 981815811 /nfs/dbraw/zinc/81/58/11/981815811.db2.gz SZEASBLMIRMEOI-GOTSBHOMSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000448473738 981815821 /nfs/dbraw/zinc/81/58/21/981815821.db2.gz SZEASBLMIRMEOI-GOTSBHOMSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000448473738 981815837 /nfs/dbraw/zinc/81/58/37/981815837.db2.gz SZEASBLMIRMEOI-GOTSBHOMSA-N 2 1 400.611 3.660 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)[C@H]1c1cccs1 ZINC000448519679 981847212 /nfs/dbraw/zinc/84/72/12/981847212.db2.gz FHYAJUZIZGWOMQ-DBQGFPOUSA-N 2 1 416.635 3.789 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)[C@H]1c1cccs1 ZINC000448519679 981847324 /nfs/dbraw/zinc/84/73/24/981847324.db2.gz FHYAJUZIZGWOMQ-DBQGFPOUSA-N 2 1 416.635 3.789 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)[C@H]1c1cccs1 ZINC000448519679 981847341 /nfs/dbraw/zinc/84/73/41/981847341.db2.gz FHYAJUZIZGWOMQ-DBQGFPOUSA-N 2 1 416.635 3.789 20 0 HHADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)[C@H](C)C1 ZINC000448520197 981847834 /nfs/dbraw/zinc/84/78/34/981847834.db2.gz IELUIZUFVLQZIX-AUSIDOKSSA-N 2 1 412.578 3.783 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)[C@H](C)C1 ZINC000448520197 981847840 /nfs/dbraw/zinc/84/78/40/981847840.db2.gz IELUIZUFVLQZIX-AUSIDOKSSA-N 2 1 412.578 3.783 20 0 HHADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)[C@H](C)C1 ZINC000448520197 981847846 /nfs/dbraw/zinc/84/78/46/981847846.db2.gz IELUIZUFVLQZIX-AUSIDOKSSA-N 2 1 412.578 3.783 20 0 HHADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)[C@H](C)C1 ZINC000448520197 981847851 /nfs/dbraw/zinc/84/78/51/981847851.db2.gz IELUIZUFVLQZIX-AUSIDOKSSA-N 2 1 412.578 3.783 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)Nc1ccnn1C1CCCC1 ZINC000460353416 982127621 /nfs/dbraw/zinc/12/76/21/982127621.db2.gz PNNRHPBLLYCMDU-RTBURBONSA-N 2 1 409.578 3.683 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000460355322 982128339 /nfs/dbraw/zinc/12/83/39/982128339.db2.gz WJWIPYDSHTWDLJ-IRXDYDNUSA-N 2 1 417.500 3.973 20 0 HHADMP O=C(NC1CC[NH+](C2CCCC2)CC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460472877 982266081 /nfs/dbraw/zinc/26/60/81/982266081.db2.gz ZLKDIZHHPNGJPA-YADHBBJMSA-N 2 1 410.606 3.557 20 0 HHADMP C[C@H]([NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000437787953 982356487 /nfs/dbraw/zinc/35/64/87/982356487.db2.gz SHPZVOPZHAKUCY-DENAFPEJSA-N 2 1 409.574 3.836 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(N2CCC(C)CC2)c1 ZINC000438306995 982713372 /nfs/dbraw/zinc/71/33/72/982713372.db2.gz SYCBGQODTNSNPL-HSZRJFAPSA-N 2 1 415.626 3.803 20 0 HHADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000438359959 982745082 /nfs/dbraw/zinc/74/50/82/982745082.db2.gz BAHZXRDOZSDLRY-QFBILLFUSA-N 2 1 413.393 3.517 20 0 HHADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000438359959 982745089 /nfs/dbraw/zinc/74/50/89/982745089.db2.gz BAHZXRDOZSDLRY-QFBILLFUSA-N 2 1 413.393 3.517 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000438846451 983113751 /nfs/dbraw/zinc/11/37/51/983113751.db2.gz BEIOSSBPCCDUMX-HBMCJLEFSA-N 2 1 415.626 3.664 20 0 HHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000438864266 983129770 /nfs/dbraw/zinc/12/97/70/983129770.db2.gz JOCLGXNKGOIQAE-DENIHFKCSA-N 2 1 401.599 3.561 20 0 HHADMP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000439134086 983266657 /nfs/dbraw/zinc/26/66/57/983266657.db2.gz LLSZMLBZTKTHOA-GOSISDBHSA-N 2 1 421.408 3.898 20 0 HHADMP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000439340049 983372254 /nfs/dbraw/zinc/37/22/54/983372254.db2.gz HYPLHDIGCSQTCQ-GOSISDBHSA-N 2 1 420.648 3.795 20 0 HHADMP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000439361496 983379153 /nfs/dbraw/zinc/37/91/53/983379153.db2.gz VBKMRULPSCJSEJ-XLIONFOSSA-N 2 1 420.648 3.966 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000439420587 983402118 /nfs/dbraw/zinc/40/21/18/983402118.db2.gz HNARWPANCAKNSY-SIKLNZKXSA-N 2 1 414.619 3.732 20 0 HHADMP C[N@H+]1CCN(CCC[NH2+]Cc2cnc(-c3ccncc3)s2)[C@H](c2ccccc2)C1 ZINC000440326788 983722799 /nfs/dbraw/zinc/72/27/99/983722799.db2.gz LWJJIUAZEXPXJG-QFIPXVFZSA-N 2 1 407.587 3.674 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C[N@H+]1C1CC1 ZINC000440769831 983898501 /nfs/dbraw/zinc/89/85/01/983898501.db2.gz FYQDBNIJEBYKMH-GCJKJVERSA-N 2 1 406.574 3.840 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCC(=O)Nc1c(Cl)cccc1Cl ZINC000441252899 984139803 /nfs/dbraw/zinc/13/98/03/984139803.db2.gz GZYDKDGXHWNTGZ-XOKHGSTOSA-N 2 1 400.350 3.506 20 0 HHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000461801440 984788312 /nfs/dbraw/zinc/78/83/12/984788312.db2.gz FIAQNBMYJSVULT-NRFANRHFSA-N 2 1 400.611 3.805 20 0 HHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000461801440 984788318 /nfs/dbraw/zinc/78/83/18/984788318.db2.gz FIAQNBMYJSVULT-NRFANRHFSA-N 2 1 400.611 3.805 20 0 HHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000461801440 984788322 /nfs/dbraw/zinc/78/83/22/984788322.db2.gz FIAQNBMYJSVULT-NRFANRHFSA-N 2 1 400.611 3.805 20 0 HHADMP COCC[NH+]1CCC(Nc2ccc(C[N@@H+](C[C@H]3CCCCO3)C(C)C)cc2)CC1 ZINC000462070056 985042087 /nfs/dbraw/zinc/04/20/87/985042087.db2.gz VDIYMAWNIIJGTF-XMMPIXPASA-N 2 1 403.611 3.989 20 0 HHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000442785115 985215197 /nfs/dbraw/zinc/21/51/97/985215197.db2.gz WUGYRMVLPFRRIK-FXAWDEMLSA-N 2 1 411.512 3.874 20 0 HHADMP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)s2)cc1 ZINC000442868765 985252571 /nfs/dbraw/zinc/25/25/71/985252571.db2.gz CVPBJKBTOWWGHS-MRXNPFEDSA-N 2 1 402.608 3.804 20 0 HHADMP CC[NH+](CC)CCOc1ccc(-c2noc(C[N@@H+]3[C@H](C)CC[C@@H]3C)n2)cc1OC ZINC000443199190 985439354 /nfs/dbraw/zinc/43/93/54/985439354.db2.gz DABKEJPPDUMHQG-CALCHBBNSA-N 2 1 402.539 3.839 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(C)(C)C[NH+](C)C ZINC000443236495 985456799 /nfs/dbraw/zinc/45/67/99/985456799.db2.gz GFLGBGVPZOUBJX-MAUKXSAKSA-N 2 1 414.516 3.555 20 0 HHADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000467971334 985613624 /nfs/dbraw/zinc/61/36/24/985613624.db2.gz VQUMHZDXHFSWSZ-RUZDIDTESA-N 2 1 421.585 3.945 20 0 HHADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000467971334 985613630 /nfs/dbraw/zinc/61/36/30/985613630.db2.gz VQUMHZDXHFSWSZ-RUZDIDTESA-N 2 1 421.585 3.945 20 0 HHADMP C[C@@H](NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000462714189 985660578 /nfs/dbraw/zinc/66/05/78/985660578.db2.gz DGBZWYRWDSMMQC-ZLSIYFNSSA-N 2 1 420.601 3.717 20 0 HHADMP C[C@@H](NC(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462714189 985660583 /nfs/dbraw/zinc/66/05/83/985660583.db2.gz DGBZWYRWDSMMQC-ZLSIYFNSSA-N 2 1 420.601 3.717 20 0 HHADMP C[C@@H](NC(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462714189 985660587 /nfs/dbraw/zinc/66/05/87/985660587.db2.gz DGBZWYRWDSMMQC-ZLSIYFNSSA-N 2 1 420.601 3.717 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000462738873 985681936 /nfs/dbraw/zinc/68/19/36/985681936.db2.gz MAENWTQMGOLGRC-PMVMPFDFSA-N 2 1 400.611 3.803 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000462738873 985681940 /nfs/dbraw/zinc/68/19/40/985681940.db2.gz MAENWTQMGOLGRC-PMVMPFDFSA-N 2 1 400.611 3.803 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000462738873 985681944 /nfs/dbraw/zinc/68/19/44/985681944.db2.gz MAENWTQMGOLGRC-PMVMPFDFSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462748833 985690035 /nfs/dbraw/zinc/69/00/35/985690035.db2.gz FSVRESFFKVSXHG-IFMALSPDSA-N 2 1 400.611 3.660 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cc(Cl)cc2c1OCC2 ZINC000462776529 985712617 /nfs/dbraw/zinc/71/26/17/985712617.db2.gz SUUAEXHFYAEYGU-UHFFFAOYSA-N 2 1 419.997 3.543 20 0 HHADMP C[C@H](C[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1)N1CCN(C)CC1 ZINC000462801729 985733802 /nfs/dbraw/zinc/73/38/02/985733802.db2.gz INTSJSAIWHPJME-ZJSXRUAMSA-N 2 1 404.618 3.604 20 0 HHADMP C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000462803057 985735288 /nfs/dbraw/zinc/73/52/88/985735288.db2.gz PRRDGGWWWISUIZ-URXFXBBRSA-N 2 1 404.618 3.604 20 0 HHADMP CC(C)C[C@H]([NH2+][C@H](C)c1csc(-c2ccccc2F)n1)C(=O)NCC[NH+](C)C ZINC000462812565 985742055 /nfs/dbraw/zinc/74/20/55/985742055.db2.gz HUROFLBYPOKOGX-QAPCUYQASA-N 2 1 406.571 3.692 20 0 HHADMP CCN(CCC[NH+](C)C)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000468310741 986007648 /nfs/dbraw/zinc/00/76/48/986007648.db2.gz GEHYPJPPXDVBPP-UHFFFAOYSA-N 2 1 415.409 3.941 20 0 HHADMP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463076531 986033091 /nfs/dbraw/zinc/03/30/91/986033091.db2.gz BPSDMZOHTRCFHL-KNQAVFIVSA-N 2 1 415.603 3.516 20 0 HHADMP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463076531 986033099 /nfs/dbraw/zinc/03/30/99/986033099.db2.gz BPSDMZOHTRCFHL-KNQAVFIVSA-N 2 1 415.603 3.516 20 0 HHADMP COc1ccccc1N1CC[C@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000463108966 986070647 /nfs/dbraw/zinc/07/06/47/986070647.db2.gz IIQATHUZVHHXDW-OAQYLSRUSA-N 2 1 411.565 3.957 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000463112853 986075440 /nfs/dbraw/zinc/07/54/40/986075440.db2.gz MNGJQNQZYWPBFS-DXIQSLLYSA-N 2 1 415.603 3.641 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000463112853 986075459 /nfs/dbraw/zinc/07/54/59/986075459.db2.gz MNGJQNQZYWPBFS-DXIQSLLYSA-N 2 1 415.603 3.641 20 0 HHADMP C[C@H]([NH2+]C1(CNC2CC[NH+](CCC(F)(F)F)CC2)CCOCC1)c1ccccc1 ZINC000463119769 986084227 /nfs/dbraw/zinc/08/42/27/986084227.db2.gz LTLNZKJOAAIWRN-SFHVURJKSA-N 2 1 413.528 3.893 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@@H]1CCCc2sccc21 ZINC000468465545 986158935 /nfs/dbraw/zinc/15/89/35/986158935.db2.gz DPAVBXHQDTUNDB-OAQYLSRUSA-N 2 1 418.651 3.963 20 0 HHADMP Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c(N2CCOCC2)c1 ZINC000463208325 986179174 /nfs/dbraw/zinc/17/91/74/986179174.db2.gz WZYVYLVUUMWYHU-UHFFFAOYSA-N 2 1 411.565 3.767 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463235123 986204128 /nfs/dbraw/zinc/20/41/28/986204128.db2.gz GIUKIQRJSHIUIE-UXPWSPDFSA-N 2 1 406.492 3.898 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000463235123 986204137 /nfs/dbraw/zinc/20/41/37/986204137.db2.gz GIUKIQRJSHIUIE-UXPWSPDFSA-N 2 1 406.492 3.898 20 0 HHADMP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463282383 986248823 /nfs/dbraw/zinc/24/88/23/986248823.db2.gz XUSNSFYPEDIMSJ-VXKWHMMOSA-N 2 1 400.542 3.559 20 0 HHADMP O=C(C[N@@H+](C[C@H]1CCCO1)C1CCCC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000444205258 986384571 /nfs/dbraw/zinc/38/45/71/986384571.db2.gz LVDYTEVMDQIJAL-JOCHJYFZSA-N 2 1 417.619 3.598 20 0 HHADMP C[C@H]1CCc2c(sc3nc(CC[N@@H+]4CC[C@H](C[NH+]5CCCCC5)C4)nc(N)c23)C1 ZINC000444218791 986402567 /nfs/dbraw/zinc/40/25/67/986402567.db2.gz VYGVHJMKWZGRKD-DLBZAZTESA-N 2 1 413.635 3.749 20 0 HHADMP C[C@H]1CCc2c(sc3nc(CC[N@H+]4CC[C@H](C[NH+]5CCCCC5)C4)nc(N)c23)C1 ZINC000444218791 986402573 /nfs/dbraw/zinc/40/25/73/986402573.db2.gz VYGVHJMKWZGRKD-DLBZAZTESA-N 2 1 413.635 3.749 20 0 HHADMP C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000468908868 986615496 /nfs/dbraw/zinc/61/54/96/986615496.db2.gz JUQRHYPEEKDLCU-UHFFFAOYSA-N 2 1 417.435 3.548 20 0 HHADMP O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000444543192 986732774 /nfs/dbraw/zinc/73/27/74/986732774.db2.gz JAQLUAMJFSKCBY-DEOSSOPVSA-N 2 1 421.585 3.742 20 0 HHADMP Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1NC(=O)CC[NH+](C)C ZINC000469031935 986742170 /nfs/dbraw/zinc/74/21/70/986742170.db2.gz QHYSKYFGAZMROC-QHCPKHFHSA-N 2 1 422.573 3.878 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000444589006 986775129 /nfs/dbraw/zinc/77/51/29/986775129.db2.gz HLZFNKPXTBQIKQ-RTBURBONSA-N 2 1 417.557 3.988 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000444589006 986775142 /nfs/dbraw/zinc/77/51/42/986775142.db2.gz HLZFNKPXTBQIKQ-RTBURBONSA-N 2 1 417.557 3.988 20 0 HHADMP O=C(CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)N1CCc2ccccc2C1 ZINC000444596573 986783856 /nfs/dbraw/zinc/78/38/56/986783856.db2.gz LNTJLTNERYZJRI-MHZLTWQESA-N 2 1 417.597 3.950 20 0 HHADMP O=C(CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)N1CCc2ccccc2C1 ZINC000444596573 986783866 /nfs/dbraw/zinc/78/38/66/986783866.db2.gz LNTJLTNERYZJRI-MHZLTWQESA-N 2 1 417.597 3.950 20 0 HHADMP O=C(CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)N1CCc2ccccc2C1 ZINC000444596573 986783878 /nfs/dbraw/zinc/78/38/78/986783878.db2.gz LNTJLTNERYZJRI-MHZLTWQESA-N 2 1 417.597 3.950 20 0 HHADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3nc(-c4ccccc4F)no3)CC2)C[C@@H](C)O1 ZINC000444619440 986804402 /nfs/dbraw/zinc/80/44/02/986804402.db2.gz JTUFDPCFIJCKFO-IAGOWNOFSA-N 2 1 402.514 3.587 20 0 HHADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000444962381 987096597 /nfs/dbraw/zinc/09/65/97/987096597.db2.gz UNYYUVLHURVHGC-QHCPKHFHSA-N 2 1 412.622 3.633 20 0 HHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000469440785 987127306 /nfs/dbraw/zinc/12/73/06/987127306.db2.gz NBOLAJBLKSRYQJ-SJORKVTESA-N 2 1 417.504 3.932 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000469440785 987127308 /nfs/dbraw/zinc/12/73/08/987127308.db2.gz NBOLAJBLKSRYQJ-SJORKVTESA-N 2 1 417.504 3.932 20 0 HHADMP CCOCc1ccc(CNC(=O)C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000469761142 987414395 /nfs/dbraw/zinc/41/43/95/987414395.db2.gz RBOVQGBYVYLCSK-SFTDATJTSA-N 2 1 423.601 3.586 20 0 HHADMP CCCOc1ccc(CNC(=O)C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000469786828 987432258 /nfs/dbraw/zinc/43/22/58/987432258.db2.gz LOPBORDJXJPTCC-ACWUQQCTSA-N 2 1 423.601 3.838 20 0 HHADMP CCCOc1ccc(CNC(=O)C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000469786828 987432261 /nfs/dbraw/zinc/43/22/61/987432261.db2.gz LOPBORDJXJPTCC-ACWUQQCTSA-N 2 1 423.601 3.838 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)[C@@H](C)C1 ZINC000469789605 987434651 /nfs/dbraw/zinc/43/46/51/987434651.db2.gz ZDBMTYHEPHUHSG-HUUJSLGLSA-N 2 1 415.578 3.725 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)[C@@H](C)C1 ZINC000469789605 987434654 /nfs/dbraw/zinc/43/46/54/987434654.db2.gz ZDBMTYHEPHUHSG-HUUJSLGLSA-N 2 1 415.578 3.725 20 0 HHADMP O=C(C[NH2+][C@H](c1cccnc1)C1CC1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000445757868 987819118 /nfs/dbraw/zinc/81/91/18/987819118.db2.gz INQZSRLTDLTHKI-SANMLTNESA-N 2 1 414.553 3.620 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1 ZINC000470067622 987963246 /nfs/dbraw/zinc/96/32/46/987963246.db2.gz SNQUHYCKWLBWGT-LPHOPBHVSA-N 2 1 414.516 3.728 20 0 HHADMP C[C@H]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463956401 988067784 /nfs/dbraw/zinc/06/77/84/988067784.db2.gz ZFRQRPIDJPEZKP-UNMCSNQZSA-N 2 1 410.562 3.723 20 0 HHADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000470183831 988100230 /nfs/dbraw/zinc/10/02/30/988100230.db2.gz PGDLEPWLWZERBD-NSHDSACASA-N 2 1 405.178 3.615 20 0 HHADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000470183831 988100234 /nfs/dbraw/zinc/10/02/34/988100234.db2.gz PGDLEPWLWZERBD-NSHDSACASA-N 2 1 405.178 3.615 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)c1)C1CCOCC1 ZINC000464062956 988185341 /nfs/dbraw/zinc/18/53/41/988185341.db2.gz SKSKFGZXKVALQL-RJGXRXQPSA-N 2 1 416.606 3.861 20 0 HHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000470284903 988241681 /nfs/dbraw/zinc/24/16/81/988241681.db2.gz SAPSYLFZKAKGFM-HSZRJFAPSA-N 2 1 400.611 3.803 20 0 HHADMP CN(C(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470675103 988699804 /nfs/dbraw/zinc/69/98/04/988699804.db2.gz PJKYGKIQRGXXRS-DEOSSOPVSA-N 2 1 400.526 3.984 20 0 HHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000470738668 988776263 /nfs/dbraw/zinc/77/62/63/988776263.db2.gz XACRDVLMOBIEOE-IFMALSPDSA-N 2 1 412.622 3.934 20 0 HHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000470738668 988776275 /nfs/dbraw/zinc/77/62/75/988776275.db2.gz XACRDVLMOBIEOE-IFMALSPDSA-N 2 1 412.622 3.934 20 0 HHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000470738668 988776286 /nfs/dbraw/zinc/77/62/86/988776286.db2.gz XACRDVLMOBIEOE-IFMALSPDSA-N 2 1 412.622 3.934 20 0 HHADMP COc1cccc([C@H](CNC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)c1 ZINC000470739842 988778410 /nfs/dbraw/zinc/77/84/10/988778410.db2.gz FZPOZZCUVJEEPB-UPVQGACJSA-N 2 1 424.589 3.604 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000470744484 988783552 /nfs/dbraw/zinc/78/35/52/988783552.db2.gz GYMNJHQBNLPOKB-MQSCRBSSSA-N 2 1 400.611 3.660 20 0 HHADMP CN(C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470748192 988788625 /nfs/dbraw/zinc/78/86/25/988788625.db2.gz VDAGWHDDPZLPHF-UXHICEINSA-N 2 1 400.592 3.657 20 0 HHADMP CC1CC[NH+]([C@@H](CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c2cccs2)CC1 ZINC000470753554 988795533 /nfs/dbraw/zinc/79/55/33/988795533.db2.gz FHYVVMZHKKIDFX-RTWAWAEBSA-N 2 1 418.651 3.894 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000470883089 988954122 /nfs/dbraw/zinc/95/41/22/988954122.db2.gz ICBIZPJHKJKPHJ-FQEVSTJZSA-N 2 1 410.562 3.539 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000470883089 988954126 /nfs/dbraw/zinc/95/41/26/988954126.db2.gz ICBIZPJHKJKPHJ-FQEVSTJZSA-N 2 1 410.562 3.539 20 0 HHADMP CCS[C@H]1CC[C@H]([N@@H+](C)CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C1 ZINC000464768944 988992858 /nfs/dbraw/zinc/99/28/58/988992858.db2.gz CPOWRDYQTIVXKW-VXKWHMMOSA-N 2 1 403.636 3.635 20 0 HHADMP CCS[C@H]1CC[C@H]([NH+](C)CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)C1 ZINC000464768944 988992865 /nfs/dbraw/zinc/99/28/65/988992865.db2.gz CPOWRDYQTIVXKW-VXKWHMMOSA-N 2 1 403.636 3.635 20 0 HHADMP CCS[C@H]1CC[C@H]([NH+](C)CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)C1 ZINC000464768944 988992875 /nfs/dbraw/zinc/99/28/75/988992875.db2.gz CPOWRDYQTIVXKW-VXKWHMMOSA-N 2 1 403.636 3.635 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000464829521 989068069 /nfs/dbraw/zinc/06/80/69/989068069.db2.gz OLIAGGQIRZDUCM-HSZRJFAPSA-N 2 1 400.611 3.696 20 0 HHADMP O[C@@H](CO[C@H]1CCCc2ccccc21)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471007019 989074760 /nfs/dbraw/zinc/07/47/60/989074760.db2.gz LOTDMNXHHAXPJB-TWZJLLKVSA-N 2 1 406.570 3.505 20 0 HHADMP O[C@@H](CO[C@H]1CCCc2ccccc21)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471007019 989074769 /nfs/dbraw/zinc/07/47/69/989074769.db2.gz LOTDMNXHHAXPJB-TWZJLLKVSA-N 2 1 406.570 3.505 20 0 HHADMP O[C@@H](CO[C@H]1CCCc2ccccc21)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471007019 989074780 /nfs/dbraw/zinc/07/47/80/989074780.db2.gz LOTDMNXHHAXPJB-TWZJLLKVSA-N 2 1 406.570 3.505 20 0 HHADMP CC[NH+]1CCC(NC(=O)C[N@H+]2Cc3cc(OC)ccc3C[C@@H]2C2CCCCC2)CC1 ZINC000464880456 989143842 /nfs/dbraw/zinc/14/38/42/989143842.db2.gz XTLOOJQUWJNCNV-XMMPIXPASA-N 2 1 413.606 3.603 20 0 HHADMP COc1ccccc1N1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)C1=O ZINC000464984589 989289413 /nfs/dbraw/zinc/28/94/13/989289413.db2.gz OITATTAEDBBUNQ-QFIPXVFZSA-N 2 1 419.525 3.815 20 0 HHADMP c1c[nH]c([C@H]2CCC[NH+](Cc3ccc(C[N@H+]4CCC[C@H](c5ncc[nH]5)C4)cc3)C2)n1 ZINC000471178862 989309018 /nfs/dbraw/zinc/30/90/18/989309018.db2.gz PSDWFNIPYXXYMX-VXKWHMMOSA-N 2 1 404.562 3.892 20 0 HHADMP C[N@H+](CCNC(=O)C1CC[NH+](Cc2nc3ccccc3s2)CC1)Cc1ccccc1 ZINC000471234659 989381012 /nfs/dbraw/zinc/38/10/12/989381012.db2.gz KFCZYWFKMLRHIM-UHFFFAOYSA-N 2 1 422.598 3.757 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2nc3ccccc3s2)CC1)Cc1ccccc1 ZINC000471234659 989381020 /nfs/dbraw/zinc/38/10/20/989381020.db2.gz KFCZYWFKMLRHIM-UHFFFAOYSA-N 2 1 422.598 3.757 20 0 HHADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471474730 989671185 /nfs/dbraw/zinc/67/11/85/989671185.db2.gz DSAQLRKARYSVDK-FCHUYYIVSA-N 2 1 410.562 3.628 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471496058 989693960 /nfs/dbraw/zinc/69/39/60/989693960.db2.gz KONGDWHMWJCOOW-VWNXMTODSA-N 2 1 406.574 3.645 20 0 HHADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000471520504 989720343 /nfs/dbraw/zinc/72/03/43/989720343.db2.gz FLHRGPMKYJWWGL-DEOSSOPVSA-N 2 1 408.590 3.850 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000465393396 989743283 /nfs/dbraw/zinc/74/32/83/989743283.db2.gz CBQMQEYQJKMSGF-MDNUFGMLSA-N 2 1 400.611 3.659 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000465393396 989743291 /nfs/dbraw/zinc/74/32/91/989743291.db2.gz CBQMQEYQJKMSGF-MDNUFGMLSA-N 2 1 400.611 3.659 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000465393396 989743297 /nfs/dbraw/zinc/74/32/97/989743297.db2.gz CBQMQEYQJKMSGF-MDNUFGMLSA-N 2 1 400.611 3.659 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000465393397 989743641 /nfs/dbraw/zinc/74/36/41/989743641.db2.gz CBQMQEYQJKMSGF-MZYLBHOOSA-N 2 1 400.611 3.659 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000465393397 989743646 /nfs/dbraw/zinc/74/36/46/989743646.db2.gz CBQMQEYQJKMSGF-MZYLBHOOSA-N 2 1 400.611 3.659 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000465393397 989743655 /nfs/dbraw/zinc/74/36/55/989743655.db2.gz CBQMQEYQJKMSGF-MZYLBHOOSA-N 2 1 400.611 3.659 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000465423903 989768654 /nfs/dbraw/zinc/76/86/54/989768654.db2.gz AWYCHIVIWOFIEN-REWPJTCUSA-N 2 1 412.553 3.592 20 0 HHADMP COc1cccc([C@@H](CNC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)[NH+](C)C)c1 ZINC000465437958 989783056 /nfs/dbraw/zinc/78/30/56/989783056.db2.gz XACKPONPLOXPHB-HYBUGGRVSA-N 2 1 424.589 3.604 20 0 HHADMP COc1cccc([C@@H](CNC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)[NH+](C)C)c1 ZINC000465437957 989783456 /nfs/dbraw/zinc/78/34/56/989783456.db2.gz XACKPONPLOXPHB-GBXCKJPGSA-N 2 1 424.589 3.604 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccccc1 ZINC000465459413 989800016 /nfs/dbraw/zinc/80/00/16/989800016.db2.gz UKHKTGQGEMODAN-ZVDOUQERSA-N 2 1 400.592 3.733 20 0 HHADMP C[N@@H+](CCCNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CCCCC1 ZINC000471611227 989815332 /nfs/dbraw/zinc/81/53/32/989815332.db2.gz PMUWDRSALKMEKI-UHFFFAOYSA-N 2 1 418.548 3.746 20 0 HHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000465528962 989888009 /nfs/dbraw/zinc/88/80/09/989888009.db2.gz UXCWELJHVWUBGE-SFTDATJTSA-N 2 1 407.002 3.993 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+](C)C1CCCCC1 ZINC000465532513 989893112 /nfs/dbraw/zinc/89/31/12/989893112.db2.gz FZGFPVWIBJINEV-QFIPXVFZSA-N 2 1 400.611 3.805 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000465532513 989893119 /nfs/dbraw/zinc/89/31/19/989893119.db2.gz FZGFPVWIBJINEV-QFIPXVFZSA-N 2 1 400.611 3.805 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000465532513 989893122 /nfs/dbraw/zinc/89/31/22/989893122.db2.gz FZGFPVWIBJINEV-QFIPXVFZSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465534356 989896425 /nfs/dbraw/zinc/89/64/25/989896425.db2.gz PZWZLRNASAZTAL-XPNTWCBSSA-N 2 1 400.611 3.518 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)C1 ZINC000465551988 989915428 /nfs/dbraw/zinc/91/54/28/989915428.db2.gz ABDQGQOGLHMZHG-NZQKXSOJSA-N 2 1 400.611 3.934 20 0 HHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000465551988 989915432 /nfs/dbraw/zinc/91/54/32/989915432.db2.gz ABDQGQOGLHMZHG-NZQKXSOJSA-N 2 1 400.611 3.934 20 0 HHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000465551988 989915435 /nfs/dbraw/zinc/91/54/35/989915435.db2.gz ABDQGQOGLHMZHG-NZQKXSOJSA-N 2 1 400.611 3.934 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000465574611 989943077 /nfs/dbraw/zinc/94/30/77/989943077.db2.gz RBGFKQQNDSLAOV-HXUWFJFHSA-N 2 1 400.611 3.840 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000465594590 989974889 /nfs/dbraw/zinc/97/48/89/989974889.db2.gz HNYIWYFDXGBOIL-YADHBBJMSA-N 2 1 422.598 3.503 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000465594590 989974905 /nfs/dbraw/zinc/97/49/05/989974905.db2.gz HNYIWYFDXGBOIL-YADHBBJMSA-N 2 1 422.598 3.503 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCc3sccc3C2)CC[N@@H+]1C ZINC000465605488 989988019 /nfs/dbraw/zinc/98/80/19/989988019.db2.gz PZTFJSKIGUGIOQ-JRGCBEDISA-N 2 1 412.603 3.629 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCc3sccc3C2)CC[N@H+]1C ZINC000465605488 989988029 /nfs/dbraw/zinc/98/80/29/989988029.db2.gz PZTFJSKIGUGIOQ-JRGCBEDISA-N 2 1 412.603 3.629 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC[NH+]1C ZINC000465605488 989988034 /nfs/dbraw/zinc/98/80/34/989988034.db2.gz PZTFJSKIGUGIOQ-JRGCBEDISA-N 2 1 412.603 3.629 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CC[NH+]1C ZINC000465605488 989988042 /nfs/dbraw/zinc/98/80/42/989988042.db2.gz PZTFJSKIGUGIOQ-JRGCBEDISA-N 2 1 412.603 3.629 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000465633276 990019299 /nfs/dbraw/zinc/01/92/99/990019299.db2.gz PUKJXYAWVWSOBJ-XMMPIXPASA-N 2 1 408.590 3.802 20 0 HHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000471858752 990031212 /nfs/dbraw/zinc/03/12/12/990031212.db2.gz SUOUIAPNPQFBBY-JLAWEPINSA-N 2 1 418.548 3.746 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000465724568 990110378 /nfs/dbraw/zinc/11/03/78/990110378.db2.gz SLUQUXJQJBJZPE-JWQCQUIFSA-N 2 1 422.617 3.713 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000465730123 990115540 /nfs/dbraw/zinc/11/55/40/990115540.db2.gz YHAWLHFFCPUZQQ-OALUTQOASA-N 2 1 414.516 3.738 20 0 HHADMP C[N@@H+](CCNC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1)Cc1ccccc1 ZINC000465747441 990132657 /nfs/dbraw/zinc/13/26/57/990132657.db2.gz FOPKXCHERTVZLH-TZIWHRDSSA-N 2 1 400.592 3.562 20 0 HHADMP C[NH+](CCNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)Cc1ccccc1 ZINC000465747441 990132665 /nfs/dbraw/zinc/13/26/65/990132665.db2.gz FOPKXCHERTVZLH-TZIWHRDSSA-N 2 1 400.592 3.562 20 0 HHADMP C[NH+](CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)Cc1ccccc1 ZINC000465747441 990132673 /nfs/dbraw/zinc/13/26/73/990132673.db2.gz FOPKXCHERTVZLH-TZIWHRDSSA-N 2 1 400.592 3.562 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465753850 990139933 /nfs/dbraw/zinc/13/99/33/990139933.db2.gz KUGNDUZNKYXROR-FUPPJEDESA-N 2 1 414.638 3.906 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465753850 990139939 /nfs/dbraw/zinc/13/99/39/990139939.db2.gz KUGNDUZNKYXROR-FUPPJEDESA-N 2 1 414.638 3.906 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465753850 990139945 /nfs/dbraw/zinc/13/99/45/990139945.db2.gz KUGNDUZNKYXROR-FUPPJEDESA-N 2 1 414.638 3.906 20 0 HHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000465760137 990145705 /nfs/dbraw/zinc/14/57/05/990145705.db2.gz SNSSOKRQWYKMOF-GGPKGHCWSA-N 2 1 406.640 3.941 20 0 HHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000465760137 990145708 /nfs/dbraw/zinc/14/57/08/990145708.db2.gz SNSSOKRQWYKMOF-GGPKGHCWSA-N 2 1 406.640 3.941 20 0 HHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000465760137 990145710 /nfs/dbraw/zinc/14/57/10/990145710.db2.gz SNSSOKRQWYKMOF-GGPKGHCWSA-N 2 1 406.640 3.941 20 0 HHADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000465762480 990147765 /nfs/dbraw/zinc/14/77/65/990147765.db2.gz SXPIFLIYQYAXCA-VQTJNVASSA-N 2 1 412.578 3.831 20 0 HHADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000465762480 990147772 /nfs/dbraw/zinc/14/77/72/990147772.db2.gz SXPIFLIYQYAXCA-VQTJNVASSA-N 2 1 412.578 3.831 20 0 HHADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000465762480 990147774 /nfs/dbraw/zinc/14/77/74/990147774.db2.gz SXPIFLIYQYAXCA-VQTJNVASSA-N 2 1 412.578 3.831 20 0 HHADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000465762480 990147779 /nfs/dbraw/zinc/14/77/79/990147779.db2.gz SXPIFLIYQYAXCA-VQTJNVASSA-N 2 1 412.578 3.831 20 0 HHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000465819659 990202772 /nfs/dbraw/zinc/20/27/72/990202772.db2.gz VYJHOUUMZBUEGQ-PMACEKPBSA-N 2 1 404.624 3.524 20 0 HHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000465819659 990202779 /nfs/dbraw/zinc/20/27/79/990202779.db2.gz VYJHOUUMZBUEGQ-PMACEKPBSA-N 2 1 404.624 3.524 20 0 HHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465819659 990202790 /nfs/dbraw/zinc/20/27/90/990202790.db2.gz VYJHOUUMZBUEGQ-PMACEKPBSA-N 2 1 404.624 3.524 20 0 HHADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[NH+]1CCC(C)CC1 ZINC000465822425 990206206 /nfs/dbraw/zinc/20/62/06/990206206.db2.gz WENKJOZXRMRVNX-FQEVSTJZSA-N 2 1 412.578 3.831 20 0 HHADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[NH+]1CCC(C)CC1 ZINC000465822425 990206216 /nfs/dbraw/zinc/20/62/16/990206216.db2.gz WENKJOZXRMRVNX-FQEVSTJZSA-N 2 1 412.578 3.831 20 0 HHADMP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000472046584 990214903 /nfs/dbraw/zinc/21/49/03/990214903.db2.gz ANSKSUSALNRMDI-HSZRJFAPSA-N 2 1 400.611 3.566 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000472074974 990234828 /nfs/dbraw/zinc/23/48/28/990234828.db2.gz PWUUJNGIEVTUOR-SDUSCBPUSA-N 2 1 420.601 3.861 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000472074974 990234837 /nfs/dbraw/zinc/23/48/37/990234837.db2.gz PWUUJNGIEVTUOR-SDUSCBPUSA-N 2 1 420.601 3.861 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000472074974 990234846 /nfs/dbraw/zinc/23/48/46/990234846.db2.gz PWUUJNGIEVTUOR-SDUSCBPUSA-N 2 1 420.601 3.861 20 0 HHADMP C[C@H](CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000465872567 990986567 /nfs/dbraw/zinc/98/65/67/990986567.db2.gz IJXIFDAXZCJOJU-QPPBQGQZSA-N 2 1 408.590 3.670 20 0 HHADMP C[C@H](CNC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000465872567 990986573 /nfs/dbraw/zinc/98/65/73/990986573.db2.gz IJXIFDAXZCJOJU-QPPBQGQZSA-N 2 1 408.590 3.670 20 0 HHADMP C[C@H](CNC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000465872567 990986583 /nfs/dbraw/zinc/98/65/83/990986583.db2.gz IJXIFDAXZCJOJU-QPPBQGQZSA-N 2 1 408.590 3.670 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CC1 ZINC000466022051 991190161 /nfs/dbraw/zinc/19/01/61/991190161.db2.gz ZJVCNGMKIRKIOK-UHFFFAOYSA-N 2 1 412.578 3.833 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CC1 ZINC000466022051 991190165 /nfs/dbraw/zinc/19/01/65/991190165.db2.gz ZJVCNGMKIRKIOK-UHFFFAOYSA-N 2 1 412.578 3.833 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000466054389 991225855 /nfs/dbraw/zinc/22/58/55/991225855.db2.gz WSTFWYIRUIKWQM-RDJZCZTQSA-N 2 1 415.409 3.939 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)[C@@H]1c1cccs1 ZINC000466082784 991260145 /nfs/dbraw/zinc/26/01/45/991260145.db2.gz WNUOLMPIUAAUJY-SVFBPWRDSA-N 2 1 404.624 3.791 20 0 HHADMP Cc1ccc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cc1NC(=O)CC[NH+](C)C ZINC000466279355 991525556 /nfs/dbraw/zinc/52/55/56/991525556.db2.gz WHOBVXSPAPIUEG-NRFANRHFSA-N 2 1 416.953 3.780 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000466291962 991541770 /nfs/dbraw/zinc/54/17/70/991541770.db2.gz WQTQVYLTGJWRPR-ZEQRLZLVSA-N 2 1 412.622 3.805 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466291962 991541780 /nfs/dbraw/zinc/54/17/80/991541780.db2.gz WQTQVYLTGJWRPR-ZEQRLZLVSA-N 2 1 412.622 3.805 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466291962 991541794 /nfs/dbraw/zinc/54/17/94/991541794.db2.gz WQTQVYLTGJWRPR-ZEQRLZLVSA-N 2 1 412.622 3.805 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000466291961 991541985 /nfs/dbraw/zinc/54/19/85/991541985.db2.gz WQTQVYLTGJWRPR-RPWUZVMVSA-N 2 1 412.622 3.805 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466291961 991541998 /nfs/dbraw/zinc/54/19/98/991541998.db2.gz WQTQVYLTGJWRPR-RPWUZVMVSA-N 2 1 412.622 3.805 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466291961 991542010 /nfs/dbraw/zinc/54/20/10/991542010.db2.gz WQTQVYLTGJWRPR-RPWUZVMVSA-N 2 1 412.622 3.805 20 0 HHADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3C[C@H](c4ccc(Cl)c(Cl)c4)C3)cn2)CC1 ZINC000466478061 991769735 /nfs/dbraw/zinc/76/97/35/991769735.db2.gz WMYHMQMVBPTYTB-QAQDUYKDSA-N 2 1 406.361 3.571 20 0 HHADMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)N2CC[C@H](C)Sc3ccccc32)CC1 ZINC000466729052 992039817 /nfs/dbraw/zinc/03/98/17/992039817.db2.gz LDKPIIVVPJWHFE-IBGZPJMESA-N 2 1 419.635 3.727 20 0 HHADMP Cc1ccc(-c2noc([C@@H](C)[NH+]3CCC(OCC[NH+]4CCCC4)CC3)n2)cc1F ZINC000466908364 992224500 /nfs/dbraw/zinc/22/45/00/992224500.db2.gz BVUQSCHQWCSNAL-QGZVFWFLSA-N 2 1 402.514 3.822 20 0 HHADMP C[NH+](C)CCc1ccc(CNC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000466952828 992262969 /nfs/dbraw/zinc/26/29/69/992262969.db2.gz HDTZWOLQZHQJNG-OAQYLSRUSA-N 2 1 402.970 3.546 20 0 HHADMP CCS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000467413928 992717594 /nfs/dbraw/zinc/71/75/94/992717594.db2.gz PAMDOVNBSFXGLC-YFNKSVMNSA-N 2 1 412.599 3.871 20 0 HHADMP CCS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000467413928 992717598 /nfs/dbraw/zinc/71/75/98/992717598.db2.gz PAMDOVNBSFXGLC-YFNKSVMNSA-N 2 1 412.599 3.871 20 0 HHADMP CCS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000467413926 992717675 /nfs/dbraw/zinc/71/76/75/992717675.db2.gz PAMDOVNBSFXGLC-OEMFJLHTSA-N 2 1 412.599 3.871 20 0 HHADMP CCS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000467413926 992717683 /nfs/dbraw/zinc/71/76/83/992717683.db2.gz PAMDOVNBSFXGLC-OEMFJLHTSA-N 2 1 412.599 3.871 20 0 HHADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](Cc2ccccc2Br)c2ccc(F)cc2)C1 ZINC000467633174 992897465 /nfs/dbraw/zinc/89/74/65/992897465.db2.gz ATCBPEUTTHUZCJ-WOJBJXKFSA-N 2 1 407.327 3.528 20 0 HHADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](Cc2ccccc2Br)c2ccc(F)cc2)C1 ZINC000467633174 992897474 /nfs/dbraw/zinc/89/74/74/992897474.db2.gz ATCBPEUTTHUZCJ-WOJBJXKFSA-N 2 1 407.327 3.528 20 0 HHADMP C[N@H+]1CC[C@@H](NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@@H]1c1ccccc1 ZINC000472116376 993167920 /nfs/dbraw/zinc/16/79/20/993167920.db2.gz XIJMQZFUDGIYMM-TUNPWDSISA-N 2 1 424.511 3.536 20 0 HHADMP CN(C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000472291957 993307213 /nfs/dbraw/zinc/30/72/13/993307213.db2.gz ALZQSSXIVSPJRX-LOSJGSFVSA-N 2 1 420.601 3.815 20 0 HHADMP CN(C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000472291957 993307217 /nfs/dbraw/zinc/30/72/17/993307217.db2.gz ALZQSSXIVSPJRX-LOSJGSFVSA-N 2 1 420.601 3.815 20 0 HHADMP CN(C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000472291957 993307222 /nfs/dbraw/zinc/30/72/22/993307222.db2.gz ALZQSSXIVSPJRX-LOSJGSFVSA-N 2 1 420.601 3.815 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000472311382 993322888 /nfs/dbraw/zinc/32/28/88/993322888.db2.gz IEFDHTKBTNCZPJ-BJKOFHAPSA-N 2 1 412.622 3.806 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472366136 993363237 /nfs/dbraw/zinc/36/32/37/993363237.db2.gz HTRCBRLAFLGSRB-RDGATRHJSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472366136 993363244 /nfs/dbraw/zinc/36/32/44/993363244.db2.gz HTRCBRLAFLGSRB-RDGATRHJSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472366136 993363250 /nfs/dbraw/zinc/36/32/50/993363250.db2.gz HTRCBRLAFLGSRB-RDGATRHJSA-N 2 1 420.601 3.815 20 0 HHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000480771195 993635997 /nfs/dbraw/zinc/63/59/97/993635997.db2.gz URHRVAUERNRDQB-GOSISDBHSA-N 2 1 412.441 3.993 20 0 HHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000480781027 993648315 /nfs/dbraw/zinc/64/83/15/993648315.db2.gz PYJAOLCKPIQLPI-NVQXNPDNSA-N 2 1 422.617 3.553 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000480852592 993725521 /nfs/dbraw/zinc/72/55/21/993725521.db2.gz NEZBOEJJGHVBTK-UHFFFAOYSA-N 2 1 400.611 3.905 20 0 HHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCOc3ccc(I)cc32)C1 ZINC000481049818 993892792 /nfs/dbraw/zinc/89/27/92/993892792.db2.gz NTWYNDPLLKTXOJ-YOEHRIQHSA-N 2 1 414.331 3.826 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)NCC[C@H](C)[N@H+](C)Cc3ccccc3)CC2)[nH+]c1 ZINC000472979527 993913362 /nfs/dbraw/zinc/91/33/62/993913362.db2.gz RNYYYFZSFLTNNM-FQEVSTJZSA-N 2 1 409.578 3.569 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)NCC[C@H](C)[N@@H+](C)Cc3ccccc3)CC2)[nH+]c1 ZINC000472979527 993913369 /nfs/dbraw/zinc/91/33/69/993913369.db2.gz RNYYYFZSFLTNNM-FQEVSTJZSA-N 2 1 409.578 3.569 20 0 HHADMP Cc1ccc(SCCNC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481176841 994008283 /nfs/dbraw/zinc/00/82/83/994008283.db2.gz STLMYHFEORQIOK-OFNKIYASSA-N 2 1 411.615 3.704 20 0 HHADMP Cc1ccc(SCCNC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481176841 994008290 /nfs/dbraw/zinc/00/82/90/994008290.db2.gz STLMYHFEORQIOK-OFNKIYASSA-N 2 1 411.615 3.704 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000481189285 994021070 /nfs/dbraw/zinc/02/10/70/994021070.db2.gz MAXVRWZFSWIUGJ-OXJNMPFZSA-N 2 1 403.473 3.727 20 0 HHADMP C[NH+](C)[C@]1(CNC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)CCSC1 ZINC000481287153 994103615 /nfs/dbraw/zinc/10/36/15/994103615.db2.gz OWIKGQQFWMBQDT-QHCPKHFHSA-N 2 1 418.651 3.688 20 0 HHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000481299226 994114367 /nfs/dbraw/zinc/11/43/67/994114367.db2.gz LINAGAGQTVSMPK-GOSISDBHSA-N 2 1 401.576 3.682 20 0 HHADMP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473508240 994358872 /nfs/dbraw/zinc/35/88/72/994358872.db2.gz QNYQIIMITMHNNW-SANMLTNESA-N 2 1 421.585 3.755 20 0 HHADMP O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000473516642 994370798 /nfs/dbraw/zinc/37/07/98/994370798.db2.gz CYIFGGWNTRGRIK-KMFTYDHNSA-N 2 1 423.523 3.820 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000481561618 994396252 /nfs/dbraw/zinc/39/62/52/994396252.db2.gz KQYXNJLICTUGFS-NQSCKRDGSA-N 2 1 422.491 3.945 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000481577143 994415143 /nfs/dbraw/zinc/41/51/43/994415143.db2.gz SLZPVIKIYKPMDM-CTUHWIOQSA-N 2 1 407.558 3.804 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000481577143 994415151 /nfs/dbraw/zinc/41/51/51/994415151.db2.gz SLZPVIKIYKPMDM-CTUHWIOQSA-N 2 1 407.558 3.804 20 0 HHADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000473559978 994424296 /nfs/dbraw/zinc/42/42/96/994424296.db2.gz BTNXRWRLPYGODU-SMIHKQSGSA-N 2 1 421.560 3.628 20 0 HHADMP O=C([C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000473559978 994424306 /nfs/dbraw/zinc/42/43/06/994424306.db2.gz BTNXRWRLPYGODU-SMIHKQSGSA-N 2 1 421.560 3.628 20 0 HHADMP O=C([C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000473559978 994424314 /nfs/dbraw/zinc/42/43/14/994424314.db2.gz BTNXRWRLPYGODU-SMIHKQSGSA-N 2 1 421.560 3.628 20 0 HHADMP CC[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481663742 994524578 /nfs/dbraw/zinc/52/45/78/994524578.db2.gz ATUSPODXRHSULD-IBGZPJMESA-N 2 1 414.015 3.696 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000473734194 994631542 /nfs/dbraw/zinc/63/15/42/994631542.db2.gz GEGDGJLUEMOIHI-GZOXUSKESA-N 2 1 412.622 3.849 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)N[C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)c2)CC1 ZINC000473819250 994746547 /nfs/dbraw/zinc/74/65/47/994746547.db2.gz FXAQLOCHLZIFNI-OFNKIYASSA-N 2 1 421.589 3.613 20 0 HHADMP Cc1nc(CC2CC2)sc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000473925245 994896089 /nfs/dbraw/zinc/89/60/89/994896089.db2.gz AMQMLZDQLYMRJX-UHFFFAOYSA-N 2 1 418.651 3.672 20 0 HHADMP COc1cccc([C@H]2[C@H](NC(=O)c3cccc(C[NH+]4CCCC4)c3)CC[N@H+]2C2CC2)c1 ZINC000482084862 995024167 /nfs/dbraw/zinc/02/41/67/995024167.db2.gz QHSJGSJQCCPQGV-RPBOFIJWSA-N 2 1 419.569 3.999 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C(=O)N2CCSCC2)CC1 ZINC000482096850 995039469 /nfs/dbraw/zinc/03/94/69/995039469.db2.gz HSBIWUSBWTZSJX-RQJJNDFQSA-N 2 1 415.647 3.621 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C(=O)N2CCSCC2)CC1 ZINC000482096850 995039474 /nfs/dbraw/zinc/03/94/74/995039474.db2.gz HSBIWUSBWTZSJX-RQJJNDFQSA-N 2 1 415.647 3.621 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)c1)C1CCOCC1 ZINC000474055363 995044359 /nfs/dbraw/zinc/04/43/59/995044359.db2.gz SSGYJBOAJLACIK-IEZKXTBUSA-N 2 1 416.606 3.861 20 0 HHADMP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+]CCn3cc[nH+]c3C)s2)cc1OC ZINC000482131667 995081565 /nfs/dbraw/zinc/08/15/65/995081565.db2.gz XVCLEVODVFDOFZ-AWEZNQCLSA-N 2 1 400.548 3.915 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N[C@H](C)c2cccc3ccccc32)[C@@H](C)C1 ZINC000482141080 995091430 /nfs/dbraw/zinc/09/14/30/995091430.db2.gz XYUQFPXTLRDBMT-ROKPMTFOSA-N 2 1 411.590 3.744 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N[C@H](C)c2cccc3ccccc32)[C@@H](C)C1 ZINC000482141080 995091440 /nfs/dbraw/zinc/09/14/40/995091440.db2.gz XYUQFPXTLRDBMT-ROKPMTFOSA-N 2 1 411.590 3.744 20 0 HHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000482146936 995098112 /nfs/dbraw/zinc/09/81/12/995098112.db2.gz QGUNKFNVPPUFKR-IAGOWNOFSA-N 2 1 407.605 3.682 20 0 HHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000482146936 995098122 /nfs/dbraw/zinc/09/81/22/995098122.db2.gz QGUNKFNVPPUFKR-IAGOWNOFSA-N 2 1 407.605 3.682 20 0 HHADMP CC(=O)N1CC[NH+](CCOc2ccc(CC[NH2+][C@@H](C)c3ccc(C)c(C)c3)cc2)CC1 ZINC000482241319 995223165 /nfs/dbraw/zinc/22/31/65/995223165.db2.gz INGOHNSJQMRCHJ-QFIPXVFZSA-N 2 1 423.601 3.740 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(F)cc1OC(F)F ZINC000482258051 995236889 /nfs/dbraw/zinc/23/68/89/995236889.db2.gz DRUJSSZDAQNLHZ-CQSZACIVSA-N 2 1 409.452 3.569 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000482259342 995237220 /nfs/dbraw/zinc/23/72/20/995237220.db2.gz DMRTUQYDGCOXAP-UPVQGACJSA-N 2 1 412.622 3.803 20 0 HHADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474295305 995286415 /nfs/dbraw/zinc/28/64/15/995286415.db2.gz CDJKKAPIUPQDKX-KNQAVFIVSA-N 2 1 415.578 3.880 20 0 HHADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474295305 995286426 /nfs/dbraw/zinc/28/64/26/995286426.db2.gz CDJKKAPIUPQDKX-KNQAVFIVSA-N 2 1 415.578 3.880 20 0 HHADMP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474295305 995286437 /nfs/dbraw/zinc/28/64/37/995286437.db2.gz CDJKKAPIUPQDKX-KNQAVFIVSA-N 2 1 415.578 3.880 20 0 HHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474295305 995286446 /nfs/dbraw/zinc/28/64/46/995286446.db2.gz CDJKKAPIUPQDKX-KNQAVFIVSA-N 2 1 415.578 3.880 20 0 HHADMP O=C(NC[C@@H]1CC[NH+](CCc2ccccc2)C1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000474310921 995297809 /nfs/dbraw/zinc/29/78/09/995297809.db2.gz KHRUJCXFINRUSK-ZCYQVOJMSA-N 2 1 423.576 3.861 20 0 HHADMP O=C(NC[C@@H]1CC[NH+](CCc2ccccc2)C1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474310921 995297827 /nfs/dbraw/zinc/29/78/27/995297827.db2.gz KHRUJCXFINRUSK-ZCYQVOJMSA-N 2 1 423.576 3.861 20 0 HHADMP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000474310921 995297837 /nfs/dbraw/zinc/29/78/37/995297837.db2.gz KHRUJCXFINRUSK-ZCYQVOJMSA-N 2 1 423.576 3.861 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000474310921 995297848 /nfs/dbraw/zinc/29/78/48/995297848.db2.gz KHRUJCXFINRUSK-ZCYQVOJMSA-N 2 1 423.576 3.861 20 0 HHADMP C[NH+](C)Cc1ccc(C[NH2+]Cc2c(F)ccc(I)c2F)cc1 ZINC000474487034 995444757 /nfs/dbraw/zinc/44/47/57/995444757.db2.gz UOMRTZBLEQEAQJ-UHFFFAOYSA-N 2 1 416.253 3.921 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000474513519 995475186 /nfs/dbraw/zinc/47/51/86/995475186.db2.gz NGKMSLXWJDGPRF-RMNGQBEXSA-N 2 1 412.622 3.803 20 0 HHADMP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000482544389 995552472 /nfs/dbraw/zinc/55/24/72/995552472.db2.gz RWLSFMVNSHUDMT-QFBILLFUSA-N 2 1 400.592 3.665 20 0 HHADMP Cc1cccc(COc2ccc([C@H](C)[NH2+]CCC[N@H+]3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000482545835 995554469 /nfs/dbraw/zinc/55/44/69/995554469.db2.gz ZZSIUXHJRJQHRJ-REWPJTCUSA-N 2 1 409.574 3.812 20 0 HHADMP CCOC(=O)C1(C)CCC([NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000474615253 995567420 /nfs/dbraw/zinc/56/74/20/995567420.db2.gz QCSIDGSYYWYGAG-WABOPAKDSA-N 2 1 402.579 3.897 20 0 HHADMP COCCC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Br)cc1 ZINC000482570122 995574912 /nfs/dbraw/zinc/57/49/12/995574912.db2.gz SMILQGXODFGALX-HXUWFJFHSA-N 2 1 412.416 3.534 20 0 HHADMP C[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000482623791 995618765 /nfs/dbraw/zinc/61/87/65/995618765.db2.gz QSDANTHCVXNSSY-BVSLBCMMSA-N 2 1 400.611 3.659 20 0 HHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000474719954 995657500 /nfs/dbraw/zinc/65/75/00/995657500.db2.gz OFNULHVLXKSKBZ-MSYCTHLASA-N 2 1 409.574 3.674 20 0 HHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(Cl)cc3-n3cncn3)CC2)oc1C ZINC000474722103 995659212 /nfs/dbraw/zinc/65/92/12/995659212.db2.gz XILIRORYSGCEEA-UHFFFAOYSA-N 2 1 414.941 3.527 20 0 HHADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000474898125 995787505 /nfs/dbraw/zinc/78/75/05/995787505.db2.gz JXEIELCBLFVAML-MRXNPFEDSA-N 2 1 406.534 3.707 20 0 HHADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000474898125 995787514 /nfs/dbraw/zinc/78/75/14/995787514.db2.gz JXEIELCBLFVAML-MRXNPFEDSA-N 2 1 406.534 3.707 20 0 HHADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000474899424 995787968 /nfs/dbraw/zinc/78/79/68/995787968.db2.gz MSVJRQVOGURJKO-QGZVFWFLSA-N 2 1 420.561 3.527 20 0 HHADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000474899424 995787971 /nfs/dbraw/zinc/78/79/71/995787971.db2.gz MSVJRQVOGURJKO-QGZVFWFLSA-N 2 1 420.561 3.527 20 0 HHADMP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474978705 995841282 /nfs/dbraw/zinc/84/12/82/995841282.db2.gz ZORYGVMYIOUGOR-VWNXMTODSA-N 2 1 409.549 3.771 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474978705 995841285 /nfs/dbraw/zinc/84/12/85/995841285.db2.gz ZORYGVMYIOUGOR-VWNXMTODSA-N 2 1 409.549 3.771 20 0 HHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474978705 995841291 /nfs/dbraw/zinc/84/12/91/995841291.db2.gz ZORYGVMYIOUGOR-VWNXMTODSA-N 2 1 409.549 3.771 20 0 HHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474978705 995841294 /nfs/dbraw/zinc/84/12/94/995841294.db2.gz ZORYGVMYIOUGOR-VWNXMTODSA-N 2 1 409.549 3.771 20 0 HHADMP CCN(C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475009682 995866359 /nfs/dbraw/zinc/86/63/59/995866359.db2.gz RNUQKIHOOREAJS-VWNXMTODSA-N 2 1 424.589 3.604 20 0 HHADMP CN(C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475012585 995869048 /nfs/dbraw/zinc/86/90/48/995869048.db2.gz IYIILISDXQUODU-DNQXCXABSA-N 2 1 406.574 3.739 20 0 HHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000475016359 995872526 /nfs/dbraw/zinc/87/25/26/995872526.db2.gz ONAJHEFQXZQPCJ-XMMPIXPASA-N 2 1 408.590 3.944 20 0 HHADMP CCN(C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475034138 995883881 /nfs/dbraw/zinc/88/38/81/995883881.db2.gz USSKDDFCZOMUOW-PMACEKPBSA-N 2 1 400.592 3.657 20 0 HHADMP O=C(NC1CC[NH+](CC2CC2)CC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475118977 995933569 /nfs/dbraw/zinc/93/35/69/995933569.db2.gz NBVLFPWSMIFJSW-RUZDIDTESA-N 2 1 410.606 3.559 20 0 HHADMP CN(C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475130569 995941722 /nfs/dbraw/zinc/94/17/22/995941722.db2.gz QPDSBHJPKBVCEM-BJKOFHAPSA-N 2 1 406.574 3.739 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475139364 995947857 /nfs/dbraw/zinc/94/78/57/995947857.db2.gz XLTVNMACEWAVPL-XMMPIXPASA-N 2 1 408.590 3.943 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475139364 995947864 /nfs/dbraw/zinc/94/78/64/995947864.db2.gz XLTVNMACEWAVPL-XMMPIXPASA-N 2 1 408.590 3.943 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475139364 995947875 /nfs/dbraw/zinc/94/78/75/995947875.db2.gz XLTVNMACEWAVPL-XMMPIXPASA-N 2 1 408.590 3.943 20 0 HHADMP CCN(C(=O)NCCCC[NH+]1CCC(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475177221 995974563 /nfs/dbraw/zinc/97/45/63/995974563.db2.gz YMTDGDNHKNUKMY-QHCPKHFHSA-N 2 1 400.611 3.805 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)[C@H](C)C1 ZINC000483143962 996000990 /nfs/dbraw/zinc/00/09/90/996000990.db2.gz YUCHTCXOJUQFEL-LZJOCLMNSA-N 2 1 405.974 3.708 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)[C@H](C)C1 ZINC000483143962 996000996 /nfs/dbraw/zinc/00/09/96/996000996.db2.gz YUCHTCXOJUQFEL-LZJOCLMNSA-N 2 1 405.974 3.708 20 0 HHADMP Brc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCCO2 ZINC000483200158 996033575 /nfs/dbraw/zinc/03/35/75/996033575.db2.gz NNBBVTNUOKCBGI-DNVCBOLYSA-N 2 1 409.368 3.753 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)C[C@H]1C ZINC000483526933 996233496 /nfs/dbraw/zinc/23/34/96/996233496.db2.gz BGVGGBODMNSYOA-UNWVZKJWSA-N 2 1 416.610 3.736 20 0 HHADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000483620966 996291034 /nfs/dbraw/zinc/29/10/34/996291034.db2.gz HCHGOGVVLCKXGW-MQSCRBSSSA-N 2 1 400.611 3.945 20 0 HHADMP C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000483627395 996295328 /nfs/dbraw/zinc/29/53/28/996295328.db2.gz VGPBWIIBOYAGQS-YWZLYKJASA-N 2 1 409.496 3.831 20 0 HHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](Cc2cccc(Br)c2)CC2CC2)CC1 ZINC000475736359 996335293 /nfs/dbraw/zinc/33/52/93/996335293.db2.gz GWSSSESCOCTVPN-UHFFFAOYSA-N 2 1 422.411 3.650 20 0 HHADMP COc1ccccc1COC[C@@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475737280 996336185 /nfs/dbraw/zinc/33/61/85/996336185.db2.gz LBPKYTAHOAQBKC-AZGAKELHSA-N 2 1 424.585 3.561 20 0 HHADMP COc1ccccc1COC[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475737280 996336197 /nfs/dbraw/zinc/33/61/97/996336197.db2.gz LBPKYTAHOAQBKC-AZGAKELHSA-N 2 1 424.585 3.561 20 0 HHADMP COc1ccccc1COC[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475737280 996336202 /nfs/dbraw/zinc/33/62/02/996336202.db2.gz LBPKYTAHOAQBKC-AZGAKELHSA-N 2 1 424.585 3.561 20 0 HHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000483739466 996359161 /nfs/dbraw/zinc/35/91/61/996359161.db2.gz GOIDKBQYBXNQCP-DJPFJPOOSA-N 2 1 421.632 3.732 20 0 HHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000483739466 996359166 /nfs/dbraw/zinc/35/91/66/996359166.db2.gz GOIDKBQYBXNQCP-DJPFJPOOSA-N 2 1 421.632 3.732 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000475891051 996447949 /nfs/dbraw/zinc/44/79/49/996447949.db2.gz FRIPJCJINONQAX-GCJKJVERSA-N 2 1 411.594 3.600 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000475891051 996447952 /nfs/dbraw/zinc/44/79/52/996447952.db2.gz FRIPJCJINONQAX-GCJKJVERSA-N 2 1 411.594 3.600 20 0 HHADMP C[N@@H+](CCNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)C1CCCCC1 ZINC000483894009 996453986 /nfs/dbraw/zinc/45/39/86/996453986.db2.gz GBVVXPRUTWONJJ-UHFFFAOYSA-N 2 1 404.624 3.664 20 0 HHADMP CC(C)[NH+]1CCC(NC(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000475952343 996496029 /nfs/dbraw/zinc/49/60/29/996496029.db2.gz BKQXDPNNHAPJKZ-QFIPXVFZSA-N 2 1 400.611 3.631 20 0 HHADMP C[C@@H](NC(=O)NCCC[N@@H+](C)Cc1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000483974563 996501074 /nfs/dbraw/zinc/50/10/74/996501074.db2.gz MFPNBIDRGNQKME-QPPBQGQZSA-N 2 1 408.590 3.718 20 0 HHADMP C[C@@H](NC(=O)NCCC[NH+](C)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000483974563 996501077 /nfs/dbraw/zinc/50/10/77/996501077.db2.gz MFPNBIDRGNQKME-QPPBQGQZSA-N 2 1 408.590 3.718 20 0 HHADMP C[C@@H](NC(=O)NCCC[NH+](C)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000483974563 996501080 /nfs/dbraw/zinc/50/10/80/996501080.db2.gz MFPNBIDRGNQKME-QPPBQGQZSA-N 2 1 408.590 3.718 20 0 HHADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000484136414 996591643 /nfs/dbraw/zinc/59/16/43/996591643.db2.gz CNQPYJFCIPHTSY-CJFMBICVSA-N 2 1 424.589 3.848 20 0 HHADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000484136414 996591662 /nfs/dbraw/zinc/59/16/62/996591662.db2.gz CNQPYJFCIPHTSY-CJFMBICVSA-N 2 1 424.589 3.848 20 0 HHADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000484172870 996616205 /nfs/dbraw/zinc/61/62/05/996616205.db2.gz WUCVPWHBMKMZBN-CYFREDJKSA-N 2 1 410.562 3.504 20 0 HHADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000484172870 996616209 /nfs/dbraw/zinc/61/62/09/996616209.db2.gz WUCVPWHBMKMZBN-CYFREDJKSA-N 2 1 410.562 3.504 20 0 HHADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000484172872 996616404 /nfs/dbraw/zinc/61/64/04/996616404.db2.gz WUCVPWHBMKMZBN-DVECYGJZSA-N 2 1 410.562 3.504 20 0 HHADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000484172872 996616409 /nfs/dbraw/zinc/61/64/09/996616409.db2.gz WUCVPWHBMKMZBN-DVECYGJZSA-N 2 1 410.562 3.504 20 0 HHADMP Oc1cccc2c1CCC[C@@H]2[NH2+]CC1(C[NH2+][C@H]2CCCc3c(O)cccc32)COC1 ZINC000484300826 996689217 /nfs/dbraw/zinc/68/92/17/996689217.db2.gz SRMBBIMWQMCVIP-VXKWHMMOSA-N 2 1 408.542 3.749 20 0 HHADMP CC1(C)C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[C@@H]1C(F)(F)F ZINC000484348344 996719440 /nfs/dbraw/zinc/71/94/40/996719440.db2.gz DISXTQWWDZPYRF-IBGZPJMESA-N 2 1 411.512 3.809 20 0 HHADMP CC1(C)C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[C@@H]1C(F)(F)F ZINC000484348344 996719442 /nfs/dbraw/zinc/71/94/42/996719442.db2.gz DISXTQWWDZPYRF-IBGZPJMESA-N 2 1 411.512 3.809 20 0 HHADMP CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)c1 ZINC000476281480 996728546 /nfs/dbraw/zinc/72/85/46/996728546.db2.gz YNTRHROPXWDCAU-UHFFFAOYSA-N 2 1 422.577 3.775 20 0 HHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)c1 ZINC000476281480 996728554 /nfs/dbraw/zinc/72/85/54/996728554.db2.gz YNTRHROPXWDCAU-UHFFFAOYSA-N 2 1 422.577 3.775 20 0 HHADMP C[N@@H+](CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)Cc1ccccc1 ZINC000476714813 997258898 /nfs/dbraw/zinc/25/88/98/997258898.db2.gz TVDSXTSFGMLISQ-CWAQXLGLSA-N 2 1 406.574 3.613 20 0 HHADMP C[NH+](CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000476714813 997258911 /nfs/dbraw/zinc/25/89/11/997258911.db2.gz TVDSXTSFGMLISQ-CWAQXLGLSA-N 2 1 406.574 3.613 20 0 HHADMP C[NH+](CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000476714813 997258921 /nfs/dbraw/zinc/25/89/21/997258921.db2.gz TVDSXTSFGMLISQ-CWAQXLGLSA-N 2 1 406.574 3.613 20 0 HHADMP CN(C(=O)[C@@H]1C[NH+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000476722455 997268668 /nfs/dbraw/zinc/26/86/68/997268668.db2.gz AFFJSSYEXLIRFB-GUDVDZBRSA-N 2 1 411.512 3.628 20 0 HHADMP CN(C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000476722455 997268676 /nfs/dbraw/zinc/26/86/76/997268676.db2.gz AFFJSSYEXLIRFB-GUDVDZBRSA-N 2 1 411.512 3.628 20 0 HHADMP CN(C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000476722455 997268686 /nfs/dbraw/zinc/26/86/86/997268686.db2.gz AFFJSSYEXLIRFB-GUDVDZBRSA-N 2 1 411.512 3.628 20 0 HHADMP C[C@@H]1[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000476906097 997512033 /nfs/dbraw/zinc/51/20/33/997512033.db2.gz MFGDLEMMMPRDEE-HYBUGGRVSA-N 2 1 406.574 3.745 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)NCc2ccc(OC(F)F)cc2)CC1 ZINC000476978475 997598052 /nfs/dbraw/zinc/59/80/52/997598052.db2.gz CEPRFDUXBKWROC-SFHVURJKSA-N 2 1 423.548 3.881 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000476988682 997614219 /nfs/dbraw/zinc/61/42/19/997614219.db2.gz SYGUXNIAOHRXOF-GOSISDBHSA-N 2 1 401.551 3.720 20 0 HHADMP O=C([C@@H]1CC[N@@H+]1Cc1ccccc1)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000477096255 997750761 /nfs/dbraw/zinc/75/07/61/997750761.db2.gz GVMQSCZXNLANMC-DEOSSOPVSA-N 2 1 403.570 3.776 20 0 HHADMP O=C([C@@H]1CC[N@H+]1Cc1ccccc1)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000477096255 997750770 /nfs/dbraw/zinc/75/07/70/997750770.db2.gz GVMQSCZXNLANMC-DEOSSOPVSA-N 2 1 403.570 3.776 20 0 HHADMP O=C([C@@H]1CC[NH+]1Cc1ccccc1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000477096255 997750781 /nfs/dbraw/zinc/75/07/81/997750781.db2.gz GVMQSCZXNLANMC-DEOSSOPVSA-N 2 1 403.570 3.776 20 0 HHADMP O=C([C@@H]1CC[NH+]1Cc1ccccc1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000477096255 997750794 /nfs/dbraw/zinc/75/07/94/997750794.db2.gz GVMQSCZXNLANMC-DEOSSOPVSA-N 2 1 403.570 3.776 20 0 HHADMP C[NH+]1CCC[C@@H]2C[NH+](Cc3ccc(C[NH+]4CC[C@H]5[C@H](CCC[N@@H+]5C)C4)cc3)CC[C@H]21 ZINC000485336069 997752142 /nfs/dbraw/zinc/75/21/42/997752142.db2.gz IDFOOGRQCOZFHU-POTDNYQPSA-N 4 1 410.650 3.519 20 0 HHADMP C[NH+]1CCC[C@@H]2C[NH+](Cc3ccc(C[N@@H+]4CC[C@H]5[C@H](CCC[NH+]5C)C4)cc3)CC[C@H]21 ZINC000485336069 997752149 /nfs/dbraw/zinc/75/21/49/997752149.db2.gz IDFOOGRQCOZFHU-POTDNYQPSA-N 4 1 410.650 3.519 20 0 HHADMP C[NH+]1CCC[C@@H]2C[NH+](Cc3ccc(C[N@H+]4CC[C@H]5[C@H](CCC[NH+]5C)C4)cc3)CC[C@H]21 ZINC000485336069 997752155 /nfs/dbraw/zinc/75/21/55/997752155.db2.gz IDFOOGRQCOZFHU-POTDNYQPSA-N 4 1 410.650 3.519 20 0 HHADMP COc1ccc([C@H](CNC(=O)C[N@H+]2CC[C@@H](c3ccccc3)C2)[NH+]2CCCCC2)cc1 ZINC000477218149 997891392 /nfs/dbraw/zinc/89/13/92/997891392.db2.gz FXNVLSMUNWVVQS-NOZRDPDXSA-N 2 1 421.585 3.828 20 0 HHADMP COc1ccc([C@H](CNC(=O)C[N@H+]2CC[C@H](c3ccccc3)C2)[NH+]2CCCCC2)cc1 ZINC000477218155 997891470 /nfs/dbraw/zinc/89/14/70/997891470.db2.gz FXNVLSMUNWVVQS-ZCYQVOJMSA-N 2 1 421.585 3.828 20 0 HHADMP CCCC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000485501372 997956325 /nfs/dbraw/zinc/95/63/25/997956325.db2.gz KUSZFQCVWSVAFU-LADGPHEKSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)[N@@H+](C)Cc1ccccc1 ZINC000477359618 998048487 /nfs/dbraw/zinc/04/84/87/998048487.db2.gz LOKRVFZRHUIUNO-GOSISDBHSA-N 2 1 418.532 3.559 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000477377464 998065041 /nfs/dbraw/zinc/06/50/41/998065041.db2.gz GZZURWNSSVKMJC-FYYLOGMGSA-N 2 1 400.611 3.660 20 0 HHADMP CC[NH+](CC)CCSCC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477440116 998138804 /nfs/dbraw/zinc/13/88/04/998138804.db2.gz QSVJWCFGBIOTNI-UZLBHIALSA-N 2 1 416.006 3.663 20 0 HHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000477523265 998242976 /nfs/dbraw/zinc/24/29/76/998242976.db2.gz JUYOEAPSNFLXSL-LJQANCHMSA-N 2 1 415.603 3.601 20 0 HHADMP C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@@H](C[NH+]3CCc4ccccc4C3)C(C)(C)C)CC[C@@H]21 ZINC000485775294 998250103 /nfs/dbraw/zinc/25/01/03/998250103.db2.gz RVLROIHZFMYQIO-VJBWXMMDSA-N 2 1 412.622 3.585 20 0 HHADMP C[NH+]1CCC[C@@H]2CN(C(=O)N[C@@H](C[N@@H+]3CCc4ccccc4C3)C(C)(C)C)CC[C@@H]21 ZINC000485775294 998250110 /nfs/dbraw/zinc/25/01/10/998250110.db2.gz RVLROIHZFMYQIO-VJBWXMMDSA-N 2 1 412.622 3.585 20 0 HHADMP C[NH+]1CCC[C@@H]2CN(C(=O)N[C@@H](C[N@H+]3CCc4ccccc4C3)C(C)(C)C)CC[C@@H]21 ZINC000485775294 998250120 /nfs/dbraw/zinc/25/01/20/998250120.db2.gz RVLROIHZFMYQIO-VJBWXMMDSA-N 2 1 412.622 3.585 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000486104467 998551948 /nfs/dbraw/zinc/55/19/48/998551948.db2.gz AZLHHBICELNYFP-JTHBVZDNSA-N 2 1 410.562 3.537 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000486104467 998551956 /nfs/dbraw/zinc/55/19/56/998551956.db2.gz AZLHHBICELNYFP-JTHBVZDNSA-N 2 1 410.562 3.537 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000486104467 998551963 /nfs/dbraw/zinc/55/19/63/998551963.db2.gz AZLHHBICELNYFP-JTHBVZDNSA-N 2 1 410.562 3.537 20 0 HHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000486104467 998551973 /nfs/dbraw/zinc/55/19/73/998551973.db2.gz AZLHHBICELNYFP-JTHBVZDNSA-N 2 1 410.562 3.537 20 0 HHADMP C[C@@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486331900 998715816 /nfs/dbraw/zinc/71/58/16/998715816.db2.gz KOYVDNCUSQWYGT-GGAORHGYSA-N 2 1 400.611 3.708 20 0 HHADMP COc1ccc(NC(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc1OC ZINC000478040734 998729550 /nfs/dbraw/zinc/72/95/50/998729550.db2.gz NLNOXMAGGXYASQ-GOSISDBHSA-N 2 1 403.567 3.619 20 0 HHADMP COc1ccc(NC(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc1OC ZINC000478040734 998729553 /nfs/dbraw/zinc/72/95/53/998729553.db2.gz NLNOXMAGGXYASQ-GOSISDBHSA-N 2 1 403.567 3.619 20 0 HHADMP Cc1cccc(C)c1CCNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000486365412 998730025 /nfs/dbraw/zinc/73/00/25/998730025.db2.gz MHXUVUIJBOSOAT-UHFFFAOYSA-N 2 1 414.638 3.684 20 0 HHADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3nc(-c4ccc(F)c(F)c4)no3)CC2)C[C@@H](C)O1 ZINC000486781747 998937796 /nfs/dbraw/zinc/93/77/96/998937796.db2.gz TZXLLODPETYGQF-HZPDHXFCSA-N 2 1 420.504 3.726 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000478411947 998943610 /nfs/dbraw/zinc/94/36/10/998943610.db2.gz DJARICRXGCKDDA-JOCHJYFZSA-N 2 1 400.611 3.662 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000478416024 998946377 /nfs/dbraw/zinc/94/63/77/998946377.db2.gz INJLRWLZPBJFPK-YLJYHZDGSA-N 2 1 424.992 3.893 20 0 HHADMP CC(C)(CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C[NH+]1CCCC1 ZINC000478423088 998949869 /nfs/dbraw/zinc/94/98/69/998949869.db2.gz XCMYOKRPPKQNEV-RUZDIDTESA-N 2 1 412.622 3.806 20 0 HHADMP CC(C)N1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]1c1ccc(F)c(F)c1 ZINC000487208947 999097163 /nfs/dbraw/zinc/09/71/63/999097163.db2.gz KIHALJLLWRFFAJ-MKDIIBRNSA-N 2 1 420.548 3.803 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1c1ccc(F)c(F)c1 ZINC000487208947 999097169 /nfs/dbraw/zinc/09/71/69/999097169.db2.gz KIHALJLLWRFFAJ-MKDIIBRNSA-N 2 1 420.548 3.803 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1c1ccc(F)c(F)c1 ZINC000487208947 999097172 /nfs/dbraw/zinc/09/71/72/999097172.db2.gz KIHALJLLWRFFAJ-MKDIIBRNSA-N 2 1 420.548 3.803 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1c1ccc(F)c(F)c1 ZINC000487208947 999097176 /nfs/dbraw/zinc/09/71/76/999097176.db2.gz KIHALJLLWRFFAJ-MKDIIBRNSA-N 2 1 420.548 3.803 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]1c1ccc(F)c(F)c1 ZINC000487208947 999097179 /nfs/dbraw/zinc/09/71/79/999097179.db2.gz KIHALJLLWRFFAJ-MKDIIBRNSA-N 2 1 420.548 3.803 20 0 HHADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccn(-c3ccc(F)cc3F)n2)CC1 ZINC000487934838 999320934 /nfs/dbraw/zinc/32/09/34/999320934.db2.gz XVOZIUBSAHBMHT-UHFFFAOYSA-N 2 1 406.521 3.721 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccn(-c3ccc(F)cc3F)n2)CC1 ZINC000487934838 999320937 /nfs/dbraw/zinc/32/09/37/999320937.db2.gz XVOZIUBSAHBMHT-UHFFFAOYSA-N 2 1 406.521 3.721 20 0 HHADMP C[C@H](NC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488009648 999346652 /nfs/dbraw/zinc/34/66/52/999346652.db2.gz URLSBTFVSTVFCE-RXVVDRJESA-N 2 1 412.553 3.597 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000479341102 999393816 /nfs/dbraw/zinc/39/38/16/999393816.db2.gz YPTBZSYJISFSOV-SFHVURJKSA-N 2 1 403.592 3.642 20 0 HHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCc3cc(OC)c(OC)cc32)CC1 ZINC000479347032 999396407 /nfs/dbraw/zinc/39/64/07/999396407.db2.gz OVZBSHBFVRBVRQ-QHCPKHFHSA-N 2 1 409.574 3.618 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000479357090 999401531 /nfs/dbraw/zinc/40/15/31/999401531.db2.gz HNMUQTOQTFKOFM-OFNKIYASSA-N 2 1 400.611 3.790 20 0 HHADMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1C(F)(F)F ZINC000479367597 999406170 /nfs/dbraw/zinc/40/61/70/999406170.db2.gz ZXJNQLMGLOHKMC-BBRMVZONSA-N 2 1 409.290 3.965 20 0 HHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479438985 999417815 /nfs/dbraw/zinc/41/78/15/999417815.db2.gz PIHZHTWHBWSRBI-UKILVPOCSA-N 2 1 416.569 3.996 20 0 HHADMP CN1CCO[C@H]([C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccc(Cl)cc2)C1 ZINC000479452300 999423710 /nfs/dbraw/zinc/42/37/10/999423710.db2.gz ZJOCGOQLIABQFN-FGCOXFRFSA-N 2 1 413.993 3.823 20 0 HHADMP CN1CCO[C@H]([C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccc(Cl)cc2)C1 ZINC000479452300 999423712 /nfs/dbraw/zinc/42/37/12/999423712.db2.gz ZJOCGOQLIABQFN-FGCOXFRFSA-N 2 1 413.993 3.823 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479452871 999424225 /nfs/dbraw/zinc/42/42/25/999424225.db2.gz IKOHPKNNYIWQFB-DYXWJJEUSA-N 2 1 415.603 3.512 20 0 HHADMP CCOCCC[N@H+]1CC[C@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@H](C)C1 ZINC000479478537 999434801 /nfs/dbraw/zinc/43/48/01/999434801.db2.gz NKIZRSBLBKBERQ-WQUXRXDGSA-N 2 1 405.549 3.518 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)[C@H](C)C1 ZINC000479478537 999434805 /nfs/dbraw/zinc/43/48/05/999434805.db2.gz NKIZRSBLBKBERQ-WQUXRXDGSA-N 2 1 405.549 3.518 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)[C@H](C)C1 ZINC000479478537 999434811 /nfs/dbraw/zinc/43/48/11/999434811.db2.gz NKIZRSBLBKBERQ-WQUXRXDGSA-N 2 1 405.549 3.518 20 0 HHADMP COc1cccc([C@@H]2[C@@H](NC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)CC[N@H+]2C2CC2)c1 ZINC000488334723 999445577 /nfs/dbraw/zinc/44/55/77/999445577.db2.gz XDAMRRVXXOAWBD-KMDXXIMOSA-N 2 1 422.573 3.575 20 0 HHADMP COc1cccc([C@@H]2[C@H](NC(=O)NC[C@H](c3ccccc3)[NH+](C)C)CC[N@H+]2C2CC2)c1 ZINC000488334726 999445654 /nfs/dbraw/zinc/44/56/54/999445654.db2.gz XDAMRRVXXOAWBD-WXFUMESZSA-N 2 1 422.573 3.575 20 0 HHADMP CC(C)c1csc(CNC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000479684132 999535969 /nfs/dbraw/zinc/53/59/69/999535969.db2.gz JQFVTUYDWINHQO-UHFFFAOYSA-N 2 1 421.655 3.604 20 0 HHADMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479858991 999627360 /nfs/dbraw/zinc/62/73/60/999627360.db2.gz IPXWBIYKXYPDPF-SFHVURJKSA-N 2 1 401.576 3.763 20 0 HHADMP CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000489222235 999725252 /nfs/dbraw/zinc/72/52/52/999725252.db2.gz GYMQSZNSGNTNPV-FQEVSTJZSA-N 2 1 406.640 3.868 20 0 HHADMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480145019 999729802 /nfs/dbraw/zinc/72/98/02/999729802.db2.gz GWKCFMDWXFAQAR-IBGZPJMESA-N 2 1 407.624 3.824 20 0 HHADMP C[NH+]1CCC[C@@H]2C[NH+](Cc3ccccc3C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)CC[C@H]21 ZINC000489396112 999758350 /nfs/dbraw/zinc/75/83/50/999758350.db2.gz UFLFDYBMMLHSJZ-VEYUFSJPSA-N 4 1 410.650 3.519 20 0 HHADMP C[NH+]1CCC[C@@H]2C[NH+](Cc3ccccc3C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)CC[C@H]21 ZINC000489396112 999758352 /nfs/dbraw/zinc/75/83/52/999758352.db2.gz UFLFDYBMMLHSJZ-VEYUFSJPSA-N 4 1 410.650 3.519 20 0 HHADMP C[NH+]1CCC[C@@H]2C[NH+](Cc3ccccc3C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)CC[C@H]21 ZINC000489396112 999758355 /nfs/dbraw/zinc/75/83/55/999758355.db2.gz UFLFDYBMMLHSJZ-VEYUFSJPSA-N 4 1 410.650 3.519 20 0 HHADMP C[NH+]1CCC[C@@H]2C[NH+](Cc3ccccc3CN3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000489396112 999758358 /nfs/dbraw/zinc/75/83/58/999758358.db2.gz UFLFDYBMMLHSJZ-VEYUFSJPSA-N 3 1 410.650 3.519 20 0 HHADMP C[NH+]1CCC[C@@H]2C[NH+](Cc3ccccc3CN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)CC[C@H]21 ZINC000489396112 999758359 /nfs/dbraw/zinc/75/83/59/999758359.db2.gz UFLFDYBMMLHSJZ-VEYUFSJPSA-N 3 1 410.650 3.519 20 0 HHADMP C[NH+]1CCC[C@@H]2CN(Cc3ccccc3C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)CC[C@H]21 ZINC000489396112 999758362 /nfs/dbraw/zinc/75/83/62/999758362.db2.gz UFLFDYBMMLHSJZ-VEYUFSJPSA-N 3 1 410.650 3.519 20 0 HHADMP C[NH+]1CCC[C@@H]2CN(Cc3ccccc3C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)CC[C@H]21 ZINC000489396112 999758365 /nfs/dbraw/zinc/75/83/65/999758365.db2.gz UFLFDYBMMLHSJZ-VEYUFSJPSA-N 3 1 410.650 3.519 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000480315487 999769532 /nfs/dbraw/zinc/76/95/32/999769532.db2.gz PKDNBYJBSQMFKP-OFVILXPXSA-N 2 1 420.601 3.590 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000480315487 999769534 /nfs/dbraw/zinc/76/95/34/999769534.db2.gz PKDNBYJBSQMFKP-OFVILXPXSA-N 2 1 420.601 3.590 20 0 HHADMP Brc1ccc2[nH+]ccc(N3CCC(CC[NH+]4CCOCC4)CC3)c2c1 ZINC000480478238 999808281 /nfs/dbraw/zinc/80/82/81/999808281.db2.gz GATYUAAWXCKITJ-UHFFFAOYSA-N 2 1 404.352 3.936 20 0 HHADMP C[N@@H+](CCCNC(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1)C1CCCCC1 ZINC000489737063 999828032 /nfs/dbraw/zinc/82/80/32/999828032.db2.gz DYJKLSNSRCRFGS-QFIPXVFZSA-N 2 1 400.611 3.505 20 0 HHADMP C[NH+](CCCNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CCCCC1 ZINC000489737063 999828034 /nfs/dbraw/zinc/82/80/34/999828034.db2.gz DYJKLSNSRCRFGS-QFIPXVFZSA-N 2 1 400.611 3.505 20 0 HHADMP C[NH+](CCCNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCCCC1 ZINC000489737063 999828038 /nfs/dbraw/zinc/82/80/38/999828038.db2.gz DYJKLSNSRCRFGS-QFIPXVFZSA-N 2 1 400.611 3.505 20 0 HHADMP c1c[nH]c([C@@H]2CCC[NH+](Cc3ccccc3C[N@H+]3CCC[C@@H](c4ncc[nH]4)C3)C2)n1 ZINC000489747032 999829965 /nfs/dbraw/zinc/82/99/65/999829965.db2.gz VUSPEDKFSGNWJJ-FGZHOGPDSA-N 2 1 404.562 3.892 20 0 HHADMP c1c[nH]c([C@@H]2CCC[NH+](Cc3ccccc3C[N@H+]3CCC[C@H](c4ncc[nH]4)C3)C2)n1 ZINC000489747034 999830034 /nfs/dbraw/zinc/83/00/34/999830034.db2.gz VUSPEDKFSGNWJJ-SZPZYZBQSA-N 2 1 404.562 3.892 20 0 HHADMP c1c[nH]c([C@@H]2CCC[N@@H+](Cc3ccccc3C[NH+]3CCC[C@H](c4ncc[nH]4)C3)C2)n1 ZINC000489747034 999830038 /nfs/dbraw/zinc/83/00/38/999830038.db2.gz VUSPEDKFSGNWJJ-SZPZYZBQSA-N 2 1 404.562 3.892 20 0 HHADMP c1c[nH]c([C@@H]2CCC[N@H+](Cc3ccccc3C[NH+]3CCC[C@H](c4ncc[nH]4)C3)C2)n1 ZINC000489747034 999830041 /nfs/dbraw/zinc/83/00/41/999830041.db2.gz VUSPEDKFSGNWJJ-SZPZYZBQSA-N 2 1 404.562 3.892 20 0 HHADMP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(-c2ccncc2)cc1 ZINC000480615377 999841977 /nfs/dbraw/zinc/84/19/77/999841977.db2.gz SCMWBYAKDPMKTO-FQEVSTJZSA-N 2 1 414.553 3.987 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000489822576 999844037 /nfs/dbraw/zinc/84/40/37/999844037.db2.gz BJSDFTISAIHZJH-OFVILXPXSA-N 2 1 420.601 3.992 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000489824317 999844553 /nfs/dbraw/zinc/84/45/53/999844553.db2.gz DTSHLMMJLFOLCI-PXDATVDWSA-N 2 1 420.601 3.992 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000489836422 999846845 /nfs/dbraw/zinc/84/68/45/999846845.db2.gz QLBGXLQZIRUHFP-FUPPJEDESA-N 2 1 400.611 3.851 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000489836422 999846848 /nfs/dbraw/zinc/84/68/48/999846848.db2.gz QLBGXLQZIRUHFP-FUPPJEDESA-N 2 1 400.611 3.851 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000489836422 999846851 /nfs/dbraw/zinc/84/68/51/999846851.db2.gz QLBGXLQZIRUHFP-FUPPJEDESA-N 2 1 400.611 3.851 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000489844101 999848307 /nfs/dbraw/zinc/84/83/07/999848307.db2.gz XMVIAPBHFLZBSQ-GBXCKJPGSA-N 2 1 424.589 3.796 20 0 HHADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)cc2)CC[N@@H+](C2CCC2)C1 ZINC000489920743 999862782 /nfs/dbraw/zinc/86/27/82/999862782.db2.gz UPJGJHXSCOBWDJ-DQLDELGASA-N 2 1 404.986 3.601 20 0 HHADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)cc2)CC[N@H+](C2CCC2)C1 ZINC000489920743 999862785 /nfs/dbraw/zinc/86/27/85/999862785.db2.gz UPJGJHXSCOBWDJ-DQLDELGASA-N 2 1 404.986 3.601 20 0 HHADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC[NH+](C2CCC2)C1 ZINC000489920743 999862787 /nfs/dbraw/zinc/86/27/87/999862787.db2.gz UPJGJHXSCOBWDJ-DQLDELGASA-N 2 1 404.986 3.601 20 0 HHADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC[NH+](C2CCC2)C1 ZINC000489920743 999862789 /nfs/dbraw/zinc/86/27/89/999862789.db2.gz UPJGJHXSCOBWDJ-DQLDELGASA-N 2 1 404.986 3.601 20 0 HHADMP C[C@@H]1C[N@@H+](CC/C=C/c2ccc(Br)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490649359 999988742 /nfs/dbraw/zinc/98/87/42/999988742.db2.gz OKUFADQPFMBPBV-NCOWTXHESA-N 2 1 406.412 3.810 20 0 HHADMP C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490769786 1000003710 /nfs/dbraw/zinc/00/37/10/1000003710.db2.gz NPJACZVZXFHJED-GVXSCFBNSA-N 2 1 405.586 3.925 20 0 HHADMP C[C@H](NC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490769786 1000003712 /nfs/dbraw/zinc/00/37/12/1000003712.db2.gz NPJACZVZXFHJED-GVXSCFBNSA-N 2 1 405.586 3.925 20 0 HHADMP C[C@H](NC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490769786 1000003713 /nfs/dbraw/zinc/00/37/13/1000003713.db2.gz NPJACZVZXFHJED-GVXSCFBNSA-N 2 1 405.586 3.925 20 0 HHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000490952845 1000026733 /nfs/dbraw/zinc/02/67/33/1000026733.db2.gz SUKYRTAGKQKNSJ-IBGZPJMESA-N 2 1 418.651 3.910 20 0 HHADMP CSc1cccc([C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)c2ccc(F)c(F)c2)c1 ZINC000491004617 1000033063 /nfs/dbraw/zinc/03/30/63/1000033063.db2.gz IGKAIOFHNCJDIC-JOCHJYFZSA-N 2 1 419.541 3.530 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000491259880 1000059659 /nfs/dbraw/zinc/05/96/59/1000059659.db2.gz RVWHTTRHYFIIIM-UHFFFAOYSA-N 2 1 401.514 3.841 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[N@H+]1Cc1ccccc1 ZINC000491310821 1000063799 /nfs/dbraw/zinc/06/37/99/1000063799.db2.gz SBXYXIKSINILQF-TZIWHRDSSA-N 2 1 424.593 3.572 20 0 HHADMP CCc1ccc([C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)[NH+](C)C)cc1 ZINC000493044645 1000155391 /nfs/dbraw/zinc/15/53/91/1000155391.db2.gz AAZCEWPBHDPPTR-LJQANCHMSA-N 2 1 413.472 3.800 20 0 HHADMP O=C(C1CC[NH+](C2CC2)CC1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000493077028 1000156596 /nfs/dbraw/zinc/15/65/96/1000156596.db2.gz IIEIWUPUGMTXTB-UHFFFAOYSA-N 2 1 409.496 3.614 20 0 HHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)Cc3cccc4[nH]ccc43)CC2)cc1 ZINC000493998126 1000259085 /nfs/dbraw/zinc/25/90/85/1000259085.db2.gz BYVKKXKTZRRKKT-UHFFFAOYSA-N 2 1 404.558 3.643 20 0 HHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)Cc3cccc4[nH]ccc43)CC2)cc1 ZINC000493998126 1000259089 /nfs/dbraw/zinc/25/90/89/1000259089.db2.gz BYVKKXKTZRRKKT-UHFFFAOYSA-N 2 1 404.558 3.643 20 0 HHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)Cc3cccc4[nH]ccc43)CC2)cc1 ZINC000493998126 1000259094 /nfs/dbraw/zinc/25/90/94/1000259094.db2.gz BYVKKXKTZRRKKT-UHFFFAOYSA-N 2 1 404.558 3.643 20 0 HHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)Cc3cccc4[nH]ccc43)CC2)cc1 ZINC000493998126 1000259100 /nfs/dbraw/zinc/25/91/00/1000259100.db2.gz BYVKKXKTZRRKKT-UHFFFAOYSA-N 2 1 404.558 3.643 20 0 HHADMP C[C@H]1[C@H](NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000494025766 1000273113 /nfs/dbraw/zinc/27/31/13/1000273113.db2.gz DWYPZVZQGZWDIQ-UGCAPWQASA-N 2 1 421.585 3.689 20 0 HHADMP C[C@H]1[C@H](NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000494025766 1000273118 /nfs/dbraw/zinc/27/31/18/1000273118.db2.gz DWYPZVZQGZWDIQ-UGCAPWQASA-N 2 1 421.585 3.689 20 0 HHADMP C[C@H]1[C@H](NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC[NH+]1Cc1ccccc1 ZINC000494025766 1000273126 /nfs/dbraw/zinc/27/31/26/1000273126.db2.gz DWYPZVZQGZWDIQ-UGCAPWQASA-N 2 1 421.585 3.689 20 0 HHADMP C[C@H]1[C@H](NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC[NH+]1Cc1ccccc1 ZINC000494025766 1000273132 /nfs/dbraw/zinc/27/31/32/1000273132.db2.gz DWYPZVZQGZWDIQ-UGCAPWQASA-N 2 1 421.585 3.689 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000504653546 1000310471 /nfs/dbraw/zinc/31/04/71/1000310471.db2.gz DPMGVEPYTOVRPR-SZPZYZBQSA-N 2 1 414.638 3.549 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000504653546 1000310476 /nfs/dbraw/zinc/31/04/76/1000310476.db2.gz DPMGVEPYTOVRPR-SZPZYZBQSA-N 2 1 414.638 3.549 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000504653546 1000310482 /nfs/dbraw/zinc/31/04/82/1000310482.db2.gz DPMGVEPYTOVRPR-SZPZYZBQSA-N 2 1 414.638 3.549 20 0 HHADMP C[NH+]1CCC(N(Cc2ccco2)C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000504779487 1000366654 /nfs/dbraw/zinc/36/66/54/1000366654.db2.gz RNJQTNDXNKZYPE-UHFFFAOYSA-N 2 1 424.589 3.722 20 0 HHADMP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000494250837 1000389385 /nfs/dbraw/zinc/38/93/85/1000389385.db2.gz LQMVISWFJYTZMG-KRWDZBQOSA-N 2 1 411.456 3.599 20 0 HHADMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000494250837 1000389392 /nfs/dbraw/zinc/38/93/92/1000389392.db2.gz LQMVISWFJYTZMG-KRWDZBQOSA-N 2 1 411.456 3.599 20 0 HHADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000494292911 1000415839 /nfs/dbraw/zinc/41/58/39/1000415839.db2.gz KLLQXTVVBBSVJE-UHFFFAOYSA-N 2 1 411.456 3.731 20 0 HHADMP C[C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000504887138 1000428223 /nfs/dbraw/zinc/42/82/23/1000428223.db2.gz AIBPLBJVIABBPN-KNQAVFIVSA-N 2 1 410.562 3.553 20 0 HHADMP O=C(N[C@@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000504889007 1000429817 /nfs/dbraw/zinc/42/98/17/1000429817.db2.gz MLDGXQOUAXUTLT-XMMPIXPASA-N 2 1 424.564 3.708 20 0 HHADMP O=C(N[C@@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000504889007 1000429820 /nfs/dbraw/zinc/42/98/20/1000429820.db2.gz MLDGXQOUAXUTLT-XMMPIXPASA-N 2 1 424.564 3.708 20 0 HHADMP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000504889007 1000429825 /nfs/dbraw/zinc/42/98/25/1000429825.db2.gz MLDGXQOUAXUTLT-XMMPIXPASA-N 2 1 424.564 3.708 20 0 HHADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000504889007 1000429829 /nfs/dbraw/zinc/42/98/29/1000429829.db2.gz MLDGXQOUAXUTLT-XMMPIXPASA-N 2 1 424.564 3.708 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000504988740 1000491479 /nfs/dbraw/zinc/49/14/79/1000491479.db2.gz OQEJYYQWACTUJV-WIYYLYMNSA-N 2 1 414.619 3.877 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000504988740 1000491483 /nfs/dbraw/zinc/49/14/83/1000491483.db2.gz OQEJYYQWACTUJV-WIYYLYMNSA-N 2 1 414.619 3.877 20 0 HHADMP Cc1ccc(C)c(OCC[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000494579787 1000562884 /nfs/dbraw/zinc/56/28/84/1000562884.db2.gz MKFMYLUPXSDSFI-UHFFFAOYSA-N 2 1 423.601 3.642 20 0 HHADMP C[N@H+]1CC=C(C[NH2+][C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000494988300 1000765367 /nfs/dbraw/zinc/76/53/67/1000765367.db2.gz NODIOCVBOJMBLE-OAQYLSRUSA-N 2 1 404.963 3.684 20 0 HHADMP C[N@@H+]1CC=C(C[NH2+][C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000494988300 1000765374 /nfs/dbraw/zinc/76/53/74/1000765374.db2.gz NODIOCVBOJMBLE-OAQYLSRUSA-N 2 1 404.963 3.684 20 0 HHADMP Cc1ccc(-c2cnc(C[NH+]3CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC3)o2)cc1 ZINC000495036198 1000791254 /nfs/dbraw/zinc/79/12/54/1000791254.db2.gz LNVCHRPQJXPVFS-UHFFFAOYSA-N 2 1 412.578 3.566 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(OC)c(C(C)C)c(OC)c1 ZINC000495299363 1000957840 /nfs/dbraw/zinc/95/78/40/1000957840.db2.gz KBBCUFKNVKACHD-IBGZPJMESA-N 2 1 420.598 3.707 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-n2cnc3ccccc32)cc1 ZINC000505737629 1001000278 /nfs/dbraw/zinc/00/02/78/1001000278.db2.gz GXYQBYCUCYDMJF-QFIPXVFZSA-N 2 1 419.573 3.514 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000505760875 1001010151 /nfs/dbraw/zinc/01/01/51/1001010151.db2.gz ZJZAPGPBXOMXJE-NZSAHSFTSA-N 2 1 411.512 3.683 20 0 HHADMP CN(C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000495449180 1001016222 /nfs/dbraw/zinc/01/62/22/1001016222.db2.gz AVBLIXUCUUBXLT-WCRBZPEASA-N 2 1 419.013 3.819 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Br)cc1Cl ZINC000505790186 1001024865 /nfs/dbraw/zinc/02/48/65/1001024865.db2.gz PJOUZPVNIQGWQV-OAHLLOKOSA-N 2 1 416.791 3.591 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1csc(-c2cccc(C)c2)n1 ZINC000505802954 1001034373 /nfs/dbraw/zinc/03/43/73/1001034373.db2.gz SCWREUNMXBIDDI-NRFANRHFSA-N 2 1 414.619 3.536 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccc(Cl)cc1 ZINC000495590617 1001049357 /nfs/dbraw/zinc/04/93/57/1001049357.db2.gz IXLCNKUHJVHYNE-QGZVFWFLSA-N 2 1 401.938 3.852 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)CC2)cs1 ZINC000505910826 1001095198 /nfs/dbraw/zinc/09/51/98/1001095198.db2.gz DDIGJLCDCBUHQS-AZUAARDMSA-N 2 1 418.651 3.777 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)CC2)cs1 ZINC000505910826 1001095203 /nfs/dbraw/zinc/09/52/03/1001095203.db2.gz DDIGJLCDCBUHQS-AZUAARDMSA-N 2 1 418.651 3.777 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[NH+]2CCCC2)o1 ZINC000506470535 1001426819 /nfs/dbraw/zinc/42/68/19/1001426819.db2.gz SIFURNFRHVISOO-RBBKRZOGSA-N 2 1 413.537 3.892 20 0 HHADMP Cc1cccc(N2CCC(NC(=O)N[C@H](C)[C@@H](c3ccccc3C)[NH+](C)C)CC2)[nH+]1 ZINC000497567781 1001439126 /nfs/dbraw/zinc/43/91/26/1001439126.db2.gz MCUQCHKXNXPRPQ-XXBNENTESA-N 2 1 409.578 3.658 20 0 HHADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000497619834 1001461141 /nfs/dbraw/zinc/46/11/41/1001461141.db2.gz FCQNASNNQFEELN-RBBKRZOGSA-N 2 1 419.013 3.678 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000506934166 1001601643 /nfs/dbraw/zinc/60/16/43/1001601643.db2.gz OIAKFMGUTURZTL-NHCUHLMSSA-N 2 1 422.683 3.644 20 0 HHADMP C[NH+](C)C[C@H](NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(F)cc1 ZINC000498022097 1001608935 /nfs/dbraw/zinc/60/89/35/1001608935.db2.gz CVAUQBPTLKHQJK-LMNJBCLMSA-N 2 1 418.582 3.872 20 0 HHADMP C[C@H](NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498115563 1001647289 /nfs/dbraw/zinc/64/72/89/1001647289.db2.gz AWKRMUQJLZHAEJ-ZEYPLWLESA-N 2 1 412.553 3.638 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCC[C@H]4C[NH+](C)CC[C@@H]43)cc2)C1 ZINC000498155333 1001666882 /nfs/dbraw/zinc/66/68/82/1001666882.db2.gz INTWGSHFZYZSSE-KZTDQWPFSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)cc2)C1 ZINC000498155333 1001666887 /nfs/dbraw/zinc/66/68/87/1001666887.db2.gz INTWGSHFZYZSSE-KZTDQWPFSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)cc2)C1 ZINC000498155333 1001666888 /nfs/dbraw/zinc/66/68/88/1001666888.db2.gz INTWGSHFZYZSSE-KZTDQWPFSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC000506949418 1001723775 /nfs/dbraw/zinc/72/37/75/1001723775.db2.gz IVHSEFFDPDYSMM-FYYLOGMGSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000506949418 1001723779 /nfs/dbraw/zinc/72/37/79/1001723779.db2.gz IVHSEFFDPDYSMM-FYYLOGMGSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000506949418 1001723783 /nfs/dbraw/zinc/72/37/83/1001723783.db2.gz IVHSEFFDPDYSMM-FYYLOGMGSA-N 2 1 400.611 3.805 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000498337493 1001783686 /nfs/dbraw/zinc/78/36/86/1001783686.db2.gz RWMLZGKUZIUJOH-KQLYMOGASA-N 2 1 422.976 3.739 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000498337493 1001783689 /nfs/dbraw/zinc/78/36/89/1001783689.db2.gz RWMLZGKUZIUJOH-KQLYMOGASA-N 2 1 422.976 3.739 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000498337493 1001783691 /nfs/dbraw/zinc/78/36/91/1001783691.db2.gz RWMLZGKUZIUJOH-KQLYMOGASA-N 2 1 422.976 3.739 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000498337493 1001783693 /nfs/dbraw/zinc/78/36/93/1001783693.db2.gz RWMLZGKUZIUJOH-KQLYMOGASA-N 2 1 422.976 3.739 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)CC(C)C ZINC000498443977 1001872891 /nfs/dbraw/zinc/87/28/91/1001872891.db2.gz NLFQMVFCWLGLOK-ZRCGQRJVSA-N 2 1 403.611 3.782 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)CC(C)C ZINC000498443977 1001872908 /nfs/dbraw/zinc/87/29/08/1001872908.db2.gz NLFQMVFCWLGLOK-ZRCGQRJVSA-N 2 1 403.611 3.782 20 0 HHADMP Cc1ccccc1[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000507184360 1001874441 /nfs/dbraw/zinc/87/44/41/1001874441.db2.gz RWUAQVZTVQANTN-OAQYLSRUSA-N 2 1 409.599 3.972 20 0 HHADMP C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000498460183 1001887638 /nfs/dbraw/zinc/88/76/38/1001887638.db2.gz AWHHCWNZROEJNY-FQEVSTJZSA-N 2 1 413.537 3.754 20 0 HHADMP O=C(CN1CCC[C@@H](c2nccs2)C1)Nc1cccc(CN2CCSCC2)c1 ZINC000507382068 1002037461 /nfs/dbraw/zinc/03/74/61/1002037461.db2.gz VFXJURUQSGPQRA-GOSISDBHSA-N 2 1 416.616 3.510 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498680032 1002071641 /nfs/dbraw/zinc/07/16/41/1002071641.db2.gz INPPXDCFDHSCNR-SLWXAUBPSA-N 2 1 408.537 3.613 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498680032 1002071667 /nfs/dbraw/zinc/07/16/67/1002071667.db2.gz INPPXDCFDHSCNR-SLWXAUBPSA-N 2 1 408.537 3.613 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498680032 1002071677 /nfs/dbraw/zinc/07/16/77/1002071677.db2.gz INPPXDCFDHSCNR-SLWXAUBPSA-N 2 1 408.537 3.613 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498680032 1002071692 /nfs/dbraw/zinc/07/16/92/1002071692.db2.gz INPPXDCFDHSCNR-SLWXAUBPSA-N 2 1 408.537 3.613 20 0 HHADMP O[C@H](C(F)F)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000507505471 1002117312 /nfs/dbraw/zinc/11/73/12/1002117312.db2.gz DUKKHUMGKGEXTF-CCSDVLNMSA-N 2 1 400.513 3.724 20 0 HHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C1 ZINC000507512887 1002123868 /nfs/dbraw/zinc/12/38/68/1002123868.db2.gz VFKKBSGTIJMNPR-VAMGGRTRSA-N 2 1 401.595 3.536 20 0 HHADMP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C1 ZINC000507512887 1002123858 /nfs/dbraw/zinc/12/38/58/1002123858.db2.gz VFKKBSGTIJMNPR-VAMGGRTRSA-N 2 1 401.595 3.536 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000507624087 1002228564 /nfs/dbraw/zinc/22/85/64/1002228564.db2.gz YICKGZRZVHAKCI-YFXJRYMSSA-N 2 1 419.548 3.899 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000507624087 1002228576 /nfs/dbraw/zinc/22/85/76/1002228576.db2.gz YICKGZRZVHAKCI-YFXJRYMSSA-N 2 1 419.548 3.899 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000498898947 1002289602 /nfs/dbraw/zinc/28/96/02/1002289602.db2.gz UCTVBKURGSOSKR-YFXJRYMSSA-N 2 1 412.553 3.781 20 0 HHADMP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000498901019 1002292317 /nfs/dbraw/zinc/29/23/17/1002292317.db2.gz LFBZTXRTUWDKPR-GGAORHGYSA-N 2 1 400.611 3.947 20 0 HHADMP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000507900817 1002435005 /nfs/dbraw/zinc/43/50/05/1002435005.db2.gz CNKHGRRYNBFOEO-UHFFFAOYSA-N 2 1 410.562 3.546 20 0 HHADMP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2ncc(-c3cccs3)o2)CC1 ZINC000507912923 1002447077 /nfs/dbraw/zinc/44/70/77/1002447077.db2.gz JGIDGLKWVAGDLO-UHFFFAOYSA-N 2 1 416.591 3.607 20 0 HHADMP O=C1C[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CN1Cc1ccccc1 ZINC000499187961 1002577286 /nfs/dbraw/zinc/57/72/86/1002577286.db2.gz FPZKALXSGSWIDJ-JBXUNAHCSA-N 2 1 403.570 3.820 20 0 HHADMP C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499194225 1002583186 /nfs/dbraw/zinc/58/31/86/1002583186.db2.gz QWTHEFDTCCTOFY-HWHRFOGPSA-N 2 1 402.542 3.570 20 0 HHADMP C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499194225 1002583197 /nfs/dbraw/zinc/58/31/97/1002583197.db2.gz QWTHEFDTCCTOFY-HWHRFOGPSA-N 2 1 402.542 3.570 20 0 HHADMP CCc1cc(N2CCC([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)ncn1 ZINC000499239811 1002631084 /nfs/dbraw/zinc/63/10/84/1002631084.db2.gz QANQVOXNANQXGT-BKFWDETESA-N 2 1 405.590 3.793 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N(C)CC3CC[NH+](C)CC3)cc2)C1 ZINC000508131864 1002663969 /nfs/dbraw/zinc/66/39/69/1002663969.db2.gz LLDLBCFDANQZFM-BGYRXZFFSA-N 2 1 400.611 3.648 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508698067 1003136007 /nfs/dbraw/zinc/13/60/07/1003136007.db2.gz NLTDMMLIAZHKGC-NGYIFUPDSA-N 2 1 407.558 3.804 20 0 HHADMP C[C@H]([NH2+]CCCN1CC[NH+](C)C[C@H]1c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508718988 1003158864 /nfs/dbraw/zinc/15/88/64/1003158864.db2.gz OOMSCOCFWQTULM-RNJDCESWSA-N 3 1 420.645 3.865 20 0 HHADMP C[C@H]([NH2+]CCCN1CCN(C)C[C@H]1c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508718988 1003158876 /nfs/dbraw/zinc/15/88/76/1003158876.db2.gz OOMSCOCFWQTULM-RNJDCESWSA-N 2 1 420.645 3.865 20 0 HHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508718988 1003158854 /nfs/dbraw/zinc/15/88/54/1003158854.db2.gz OOMSCOCFWQTULM-RNJDCESWSA-N 3 1 420.645 3.865 20 0 HHADMP C[C@H]([NH2+]CCCN1CC[NH+](C)C[C@H]1c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508718988 1003158869 /nfs/dbraw/zinc/15/88/69/1003158869.db2.gz OOMSCOCFWQTULM-RNJDCESWSA-N 3 1 420.645 3.865 20 0 HHADMP C[C@H]([NH2+]CCCN1CCN(C)C[C@H]1c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508718988 1003158882 /nfs/dbraw/zinc/15/88/82/1003158882.db2.gz OOMSCOCFWQTULM-RNJDCESWSA-N 2 1 420.645 3.865 20 0 HHADMP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000508721438 1003161916 /nfs/dbraw/zinc/16/19/16/1003161916.db2.gz URHFTYZCBNTAAS-FCEUIQTBSA-N 2 1 409.574 3.783 20 0 HHADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000500143033 1003501937 /nfs/dbraw/zinc/50/19/37/1003501937.db2.gz XAKNWLGXXLQMIV-XMMPIXPASA-N 2 1 406.574 3.746 20 0 HHADMP CCC[NH+](C)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC000509039298 1003509283 /nfs/dbraw/zinc/50/92/83/1003509283.db2.gz PMFJMJFLIUTAAG-SESVDKBCSA-N 2 1 407.002 3.849 20 0 HHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1 ZINC000509039298 1003509272 /nfs/dbraw/zinc/50/92/72/1003509272.db2.gz PMFJMJFLIUTAAG-SESVDKBCSA-N 2 1 407.002 3.849 20 0 HHADMP CCC[NH+](C)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC000509039298 1003509291 /nfs/dbraw/zinc/50/92/91/1003509291.db2.gz PMFJMJFLIUTAAG-SESVDKBCSA-N 2 1 407.002 3.849 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCN1CCN(c2ccccc2)CC1 ZINC000509156967 1003591170 /nfs/dbraw/zinc/59/11/70/1003591170.db2.gz UBDTXINIXVXATM-JYFHCDHNSA-N 2 1 406.618 3.699 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCN1CCN(c2ccccc2)CC1 ZINC000509156967 1003591163 /nfs/dbraw/zinc/59/11/63/1003591163.db2.gz UBDTXINIXVXATM-JYFHCDHNSA-N 2 1 406.618 3.699 20 0 HHADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000500417276 1003703919 /nfs/dbraw/zinc/70/39/19/1003703919.db2.gz WBCQYDHDHXBOGE-QHCPKHFHSA-N 2 1 410.537 3.560 20 0 HHADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000500417276 1003703926 /nfs/dbraw/zinc/70/39/26/1003703926.db2.gz WBCQYDHDHXBOGE-QHCPKHFHSA-N 2 1 410.537 3.560 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000509370250 1003798197 /nfs/dbraw/zinc/79/81/97/1003798197.db2.gz FUXZFOZWUKEUDT-UNMCSNQZSA-N 2 1 422.598 3.593 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000509370250 1003798211 /nfs/dbraw/zinc/79/82/11/1003798211.db2.gz FUXZFOZWUKEUDT-UNMCSNQZSA-N 2 1 422.598 3.593 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000509370250 1003798215 /nfs/dbraw/zinc/79/82/15/1003798215.db2.gz FUXZFOZWUKEUDT-UNMCSNQZSA-N 2 1 422.598 3.593 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000509370250 1003798227 /nfs/dbraw/zinc/79/82/27/1003798227.db2.gz FUXZFOZWUKEUDT-UNMCSNQZSA-N 2 1 422.598 3.593 20 0 HHADMP C[NH+](C)CCCC1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000500753053 1003937870 /nfs/dbraw/zinc/93/78/70/1003937870.db2.gz HORDYNAXEJEGCI-HXUWFJFHSA-N 2 1 406.640 3.724 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)cc1)C1CC1 ZINC000512122239 1004038149 /nfs/dbraw/zinc/03/81/49/1004038149.db2.gz KYHRWOCXEHNRHT-UHFFFAOYSA-N 2 1 406.574 3.671 20 0 HHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)C2)CC1 ZINC000512169437 1004072759 /nfs/dbraw/zinc/07/27/59/1004072759.db2.gz OOGMZBSPDBWGLX-LJQANCHMSA-N 2 1 410.562 3.792 20 0 HHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)C2)CC1 ZINC000512169437 1004072766 /nfs/dbraw/zinc/07/27/66/1004072766.db2.gz OOGMZBSPDBWGLX-LJQANCHMSA-N 2 1 410.562 3.792 20 0 HHADMP C[NH+](C)CCc1ccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000512171563 1004074739 /nfs/dbraw/zinc/07/47/39/1004074739.db2.gz HKKZYILGYQANPV-DEOSSOPVSA-N 2 1 422.617 3.891 20 0 HHADMP Cc1nn2c(C[NH+]3CCC(C[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)c(C(C)C)nc2s1 ZINC000512176531 1004078721 /nfs/dbraw/zinc/07/87/21/1004078721.db2.gz AMBSBPFABBWQHF-HZPDHXFCSA-N 2 1 405.612 3.544 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000500979519 1004091971 /nfs/dbraw/zinc/09/19/71/1004091971.db2.gz QCQUTPNAQMFGNM-UHFFFAOYSA-N 2 1 413.437 3.922 20 0 HHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000512214355 1004115999 /nfs/dbraw/zinc/11/59/99/1004115999.db2.gz SBQFBKYOWPOZBC-RTBURBONSA-N 2 1 410.562 3.934 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000512214355 1004116007 /nfs/dbraw/zinc/11/60/07/1004116007.db2.gz SBQFBKYOWPOZBC-RTBURBONSA-N 2 1 410.562 3.934 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000512214355 1004116012 /nfs/dbraw/zinc/11/60/12/1004116012.db2.gz SBQFBKYOWPOZBC-RTBURBONSA-N 2 1 410.562 3.934 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000512214355 1004116024 /nfs/dbraw/zinc/11/60/24/1004116024.db2.gz SBQFBKYOWPOZBC-RTBURBONSA-N 2 1 410.562 3.934 20 0 HHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000512214352 1004116092 /nfs/dbraw/zinc/11/60/92/1004116092.db2.gz SBQFBKYOWPOZBC-MOPGFXCFSA-N 2 1 410.562 3.934 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000512214352 1004116099 /nfs/dbraw/zinc/11/60/99/1004116099.db2.gz SBQFBKYOWPOZBC-MOPGFXCFSA-N 2 1 410.562 3.934 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000512214352 1004116108 /nfs/dbraw/zinc/11/61/08/1004116108.db2.gz SBQFBKYOWPOZBC-MOPGFXCFSA-N 2 1 410.562 3.934 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000512214352 1004116115 /nfs/dbraw/zinc/11/61/15/1004116115.db2.gz SBQFBKYOWPOZBC-MOPGFXCFSA-N 2 1 410.562 3.934 20 0 HHADMP CC(C)[C@@H](C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)[NH+]1CCCC1 ZINC000509827875 1004127644 /nfs/dbraw/zinc/12/76/44/1004127644.db2.gz PAXZIOQILARLSU-QETWGEEDSA-N 2 1 422.013 3.856 20 0 HHADMP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501046594 1004148355 /nfs/dbraw/zinc/14/83/55/1004148355.db2.gz QJZWZHLDLGQUMI-UHFFFAOYSA-N 2 1 406.983 3.603 20 0 HHADMP COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501060650 1004162397 /nfs/dbraw/zinc/16/23/97/1004162397.db2.gz BPZQAZDKOPNZMC-INIZCTEOSA-N 2 1 416.953 3.919 20 0 HHADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000512265206 1004166276 /nfs/dbraw/zinc/16/62/76/1004166276.db2.gz OWTGRDQCEYKYFQ-LJQANCHMSA-N 2 1 423.605 3.540 20 0 HHADMP CCCC[N@@H+](C)CC1CC[NH+](CCN2c3cccc4cccc(c34)S2(=O)=O)CC1 ZINC000512269545 1004170363 /nfs/dbraw/zinc/17/03/63/1004170363.db2.gz KJSXSLLVOBZKMA-UHFFFAOYSA-N 2 1 415.603 3.792 20 0 HHADMP CC(C)c1ccc(OCCNC(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501069302 1004171571 /nfs/dbraw/zinc/17/15/71/1004171571.db2.gz OLHGGLKKPZINMR-UHFFFAOYSA-N 2 1 424.589 3.548 20 0 HHADMP C[C@@H](CCNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000501069653 1004172651 /nfs/dbraw/zinc/17/26/51/1004172651.db2.gz IHBYYSFQSQJGJP-NRFANRHFSA-N 2 1 423.605 3.850 20 0 HHADMP O[C@H](COc1ccccc1Cl)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512279229 1004179977 /nfs/dbraw/zinc/17/99/77/1004179977.db2.gz RVVYATSJDVNUNV-REWPJTCUSA-N 2 1 400.950 3.678 20 0 HHADMP O[C@H](COc1ccccc1Cl)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512279229 1004179985 /nfs/dbraw/zinc/17/99/85/1004179985.db2.gz RVVYATSJDVNUNV-REWPJTCUSA-N 2 1 400.950 3.678 20 0 HHADMP O[C@H](COc1ccccc1Cl)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512279229 1004179989 /nfs/dbraw/zinc/17/99/89/1004179989.db2.gz RVVYATSJDVNUNV-REWPJTCUSA-N 2 1 400.950 3.678 20 0 HHADMP O[C@H](COc1ccccc1Cl)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512279229 1004179996 /nfs/dbraw/zinc/17/99/96/1004179996.db2.gz RVVYATSJDVNUNV-REWPJTCUSA-N 2 1 400.950 3.678 20 0 HHADMP CS(=O)(=O)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512280715 1004182153 /nfs/dbraw/zinc/18/21/53/1004182153.db2.gz PLWNYOJPMAQWPT-KMDXXIMOSA-N 2 1 412.599 3.622 20 0 HHADMP CS(=O)(=O)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512280716 1004182223 /nfs/dbraw/zinc/18/22/23/1004182223.db2.gz PLWNYOJPMAQWPT-RBZQAINGSA-N 2 1 412.599 3.622 20 0 HHADMP CCC[N@H+](Cc1ccc(F)cc1C(=O)OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512283650 1004186041 /nfs/dbraw/zinc/18/60/41/1004186041.db2.gz RUTYKQPAMSBIET-UHFFFAOYSA-N 2 1 414.525 3.900 20 0 HHADMP CCC[N@@H+](Cc1ccc(F)cc1C(=O)OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512283650 1004186047 /nfs/dbraw/zinc/18/60/47/1004186047.db2.gz RUTYKQPAMSBIET-UHFFFAOYSA-N 2 1 414.525 3.900 20 0 HHADMP CCC[N@H+](CC(=O)N(C1CC1)C1CCCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512283667 1004186191 /nfs/dbraw/zinc/18/61/91/1004186191.db2.gz SBZYOAUBGONVQO-UHFFFAOYSA-N 2 1 413.610 3.708 20 0 HHADMP CCC[N@@H+](CC(=O)N(C1CC1)C1CCCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512283667 1004186201 /nfs/dbraw/zinc/18/62/01/1004186201.db2.gz SBZYOAUBGONVQO-UHFFFAOYSA-N 2 1 413.610 3.708 20 0 HHADMP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000501082719 1004187571 /nfs/dbraw/zinc/18/75/71/1004187571.db2.gz AKZOTTLNEMPTHZ-WIYYLYMNSA-N 2 1 424.992 3.989 20 0 HHADMP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501090535 1004196597 /nfs/dbraw/zinc/19/65/97/1004196597.db2.gz SNASVSAHGASCBH-MRXNPFEDSA-N 2 1 418.488 3.858 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1)c1ccsc1 ZINC000501134318 1004226424 /nfs/dbraw/zinc/22/64/24/1004226424.db2.gz ZFHZPHFUUCPVEP-APWZRJJASA-N 2 1 420.648 3.939 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1)c1ccsc1 ZINC000501134318 1004226431 /nfs/dbraw/zinc/22/64/31/1004226431.db2.gz ZFHZPHFUUCPVEP-APWZRJJASA-N 2 1 420.648 3.939 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccsc1 ZINC000501155906 1004240746 /nfs/dbraw/zinc/24/07/46/1004240746.db2.gz WNYSHXOKVGSZNQ-NHCUHLMSSA-N 2 1 400.592 3.829 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccsc1 ZINC000501155906 1004240752 /nfs/dbraw/zinc/24/07/52/1004240752.db2.gz WNYSHXOKVGSZNQ-NHCUHLMSSA-N 2 1 400.592 3.829 20 0 HHADMP CO[C@@H](C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1ccc(Cl)cc1 ZINC000512480743 1004333387 /nfs/dbraw/zinc/33/33/87/1004333387.db2.gz PYZFWVAVBVSBPJ-RPWUZVMVSA-N 2 1 413.993 3.920 20 0 HHADMP CO[C@@H](C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccc(Cl)cc1 ZINC000512480743 1004333398 /nfs/dbraw/zinc/33/33/98/1004333398.db2.gz PYZFWVAVBVSBPJ-RPWUZVMVSA-N 2 1 413.993 3.920 20 0 HHADMP CC[C@@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000501337972 1004355808 /nfs/dbraw/zinc/35/58/08/1004355808.db2.gz ZKRJWCNMMXDGMF-FCHUYYIVSA-N 2 1 410.562 3.553 20 0 HHADMP CC[C@H](CNC(=O)N1CCC(C[NH+](CC)CC)CC1)[N@H+]1CCc2ccccc2C1 ZINC000501348259 1004360243 /nfs/dbraw/zinc/36/02/43/1004360243.db2.gz CWQUBXRSENCUOZ-HSZRJFAPSA-N 2 1 400.611 3.587 20 0 HHADMP CC[C@@H](CNC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000501357182 1004365433 /nfs/dbraw/zinc/36/54/33/1004365433.db2.gz JNDKOVUHKMYTCQ-XZOQPEGZSA-N 2 1 412.553 3.565 20 0 HHADMP Cc1cc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc2n[nH]cc21 ZINC000501358587 1004366037 /nfs/dbraw/zinc/36/60/37/1004366037.db2.gz OQIOTDJWKDXZHC-UHFFFAOYSA-N 2 1 412.582 3.531 20 0 HHADMP CC[C@H](CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000501375355 1004375434 /nfs/dbraw/zinc/37/54/34/1004375434.db2.gz ALOJFCKPBFXUPO-NFBKMPQASA-N 2 1 400.611 3.635 20 0 HHADMP CC[C@H](CNC(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000501375355 1004375443 /nfs/dbraw/zinc/37/54/43/1004375443.db2.gz ALOJFCKPBFXUPO-NFBKMPQASA-N 2 1 400.611 3.635 20 0 HHADMP CC[C@H](CNC(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000501375355 1004375453 /nfs/dbraw/zinc/37/54/53/1004375453.db2.gz ALOJFCKPBFXUPO-NFBKMPQASA-N 2 1 400.611 3.635 20 0 HHADMP CCC[N@H+](CC(=O)NCCC1=CCCCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510247840 1004423524 /nfs/dbraw/zinc/42/35/24/1004423524.db2.gz BOSYGCUJAOTKBQ-UHFFFAOYSA-N 2 1 413.610 3.781 20 0 HHADMP CCC[N@@H+](CC(=O)NCCC1=CCCCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510247840 1004423528 /nfs/dbraw/zinc/42/35/28/1004423528.db2.gz BOSYGCUJAOTKBQ-UHFFFAOYSA-N 2 1 413.610 3.781 20 0 HHADMP O[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)N(Cc2ccccc2)C1 ZINC000512626889 1004439793 /nfs/dbraw/zinc/43/97/93/1004439793.db2.gz XJBSZPFXRJJPGE-KUDLYRENSA-N 2 1 419.613 3.512 20 0 HHADMP O[C@@H]1C[C@H](CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[NH+](Cc2ccccc2)C1 ZINC000512626889 1004439797 /nfs/dbraw/zinc/43/97/97/1004439797.db2.gz XJBSZPFXRJJPGE-KUDLYRENSA-N 2 1 419.613 3.512 20 0 HHADMP O[C@@H]1C[C@H](CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[NH+](Cc2ccccc2)C1 ZINC000512626889 1004439800 /nfs/dbraw/zinc/43/98/00/1004439800.db2.gz XJBSZPFXRJJPGE-KUDLYRENSA-N 2 1 419.613 3.512 20 0 HHADMP O[C@@H]1C[C@H](CN[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)[N@H+](Cc2ccccc2)C1 ZINC000512626889 1004439804 /nfs/dbraw/zinc/43/98/04/1004439804.db2.gz XJBSZPFXRJJPGE-KUDLYRENSA-N 2 1 419.613 3.512 20 0 HHADMP O[C@@H]1C[C@H](CN[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)[N@@H+](Cc2ccccc2)C1 ZINC000512626889 1004439808 /nfs/dbraw/zinc/43/98/08/1004439808.db2.gz XJBSZPFXRJJPGE-KUDLYRENSA-N 2 1 419.613 3.512 20 0 HHADMP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000501503362 1004471936 /nfs/dbraw/zinc/47/19/36/1004471936.db2.gz PCMKDLWAZSPFBJ-QZTJIDSGSA-N 2 1 407.002 3.724 20 0 HHADMP C[C@@H](NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512710943 1004509852 /nfs/dbraw/zinc/50/98/52/1004509852.db2.gz CLEZMDAWXODRKZ-IRLDBZIGSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000512711350 1004510911 /nfs/dbraw/zinc/51/09/11/1004510911.db2.gz GXBRGSXOVZCSDC-TZIWHRDSSA-N 2 1 416.585 3.696 20 0 HHADMP C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000512711350 1004510920 /nfs/dbraw/zinc/51/09/20/1004510920.db2.gz GXBRGSXOVZCSDC-TZIWHRDSSA-N 2 1 416.585 3.696 20 0 HHADMP C[C@@H](NC(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512711350 1004510932 /nfs/dbraw/zinc/51/09/32/1004510932.db2.gz GXBRGSXOVZCSDC-TZIWHRDSSA-N 2 1 416.585 3.696 20 0 HHADMP C[C@@H](NC(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512711350 1004510939 /nfs/dbraw/zinc/51/09/39/1004510939.db2.gz GXBRGSXOVZCSDC-TZIWHRDSSA-N 2 1 416.585 3.696 20 0 HHADMP COCC[N@H+](C)CCCC1CCN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000501631301 1004564435 /nfs/dbraw/zinc/56/44/35/1004564435.db2.gz VAAXXHMTADNPDT-NRFANRHFSA-N 2 1 410.002 3.540 20 0 HHADMP COCC[N@@H+](C)CCCC1CCN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000501631301 1004564442 /nfs/dbraw/zinc/56/44/42/1004564442.db2.gz VAAXXHMTADNPDT-NRFANRHFSA-N 2 1 410.002 3.540 20 0 HHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000512810677 1004573136 /nfs/dbraw/zinc/57/31/36/1004573136.db2.gz VGHVQVZXCZZFGP-IEBWSBKVSA-N 2 1 403.368 3.968 20 0 HHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000512810677 1004573140 /nfs/dbraw/zinc/57/31/40/1004573140.db2.gz VGHVQVZXCZZFGP-IEBWSBKVSA-N 2 1 403.368 3.968 20 0 HHADMP CC[C@H](CNC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000510455158 1004577913 /nfs/dbraw/zinc/57/79/13/1004577913.db2.gz GPWOAFRWDKRUMM-DHIUTWEWSA-N 2 1 424.589 3.861 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000510462743 1004583556 /nfs/dbraw/zinc/58/35/56/1004583556.db2.gz XPEKMFLIOUATAH-YADHBBJMSA-N 2 1 410.562 3.689 20 0 HHADMP O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CC[NH+](C2CCCC2)CC1 ZINC000512837347 1004596614 /nfs/dbraw/zinc/59/66/14/1004596614.db2.gz HYVWBRZDBYZBBO-LJQANCHMSA-N 2 1 424.511 3.550 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc3ncccc32)CC1 ZINC000501763166 1004699120 /nfs/dbraw/zinc/69/91/20/1004699120.db2.gz AILONHOEXBFCLI-IBGZPJMESA-N 2 1 412.578 3.632 20 0 HHADMP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)Nc2nc3ccc(C)cc3s2)CC1 ZINC000501766443 1004703394 /nfs/dbraw/zinc/70/33/94/1004703394.db2.gz PTGDNYOWKVVNPC-UHFFFAOYSA-N 2 1 418.607 3.614 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)Nc2nc3ccc(C)cc3s2)CC1 ZINC000501766443 1004703399 /nfs/dbraw/zinc/70/33/99/1004703399.db2.gz PTGDNYOWKVVNPC-UHFFFAOYSA-N 2 1 418.607 3.614 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)N(C)[C@@H]2CCCc3ccccc32)CC1 ZINC000501771523 1004710675 /nfs/dbraw/zinc/71/06/75/1004710675.db2.gz GWOOKJWJQPOYMS-XMMPIXPASA-N 2 1 415.622 3.593 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)C2=CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000510579395 1004726902 /nfs/dbraw/zinc/72/69/02/1004726902.db2.gz KYOJUOCNVLUILU-JHVJFLLYSA-N 2 1 422.976 3.953 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@@H](C)C2=CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000510579395 1004726904 /nfs/dbraw/zinc/72/69/04/1004726904.db2.gz KYOJUOCNVLUILU-JHVJFLLYSA-N 2 1 422.976 3.953 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000510579395 1004726908 /nfs/dbraw/zinc/72/69/08/1004726908.db2.gz KYOJUOCNVLUILU-JHVJFLLYSA-N 2 1 422.976 3.953 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000510579395 1004726911 /nfs/dbraw/zinc/72/69/11/1004726911.db2.gz KYOJUOCNVLUILU-JHVJFLLYSA-N 2 1 422.976 3.953 20 0 HHADMP C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510580985 1004728655 /nfs/dbraw/zinc/72/86/55/1004728655.db2.gz QSSQQJQOMVEJSF-DWQJTFDBSA-N 2 1 412.622 3.849 20 0 HHADMP C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000510580985 1004728662 /nfs/dbraw/zinc/72/86/62/1004728662.db2.gz QSSQQJQOMVEJSF-DWQJTFDBSA-N 2 1 412.622 3.849 20 0 HHADMP C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000510580985 1004728671 /nfs/dbraw/zinc/72/86/71/1004728671.db2.gz QSSQQJQOMVEJSF-DWQJTFDBSA-N 2 1 412.622 3.849 20 0 HHADMP C[C@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000501810957 1004751434 /nfs/dbraw/zinc/75/14/34/1004751434.db2.gz UCBVFNDYXBJEPL-YKSBVNFPSA-N 2 1 406.574 3.570 20 0 HHADMP CC[C@H]1c2ccsc2CCN1C(=O)C[NH+]1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000501813506 1004752982 /nfs/dbraw/zinc/75/29/82/1004752982.db2.gz BVISYQLQURQMFF-NRFANRHFSA-N 2 1 421.651 3.654 20 0 HHADMP C[C@H](NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000501857967 1004780526 /nfs/dbraw/zinc/78/05/26/1004780526.db2.gz MFHVPRGOCPXOIJ-POGFHVCPSA-N 2 1 424.633 3.947 20 0 HHADMP C[C@H](NC(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501857967 1004780531 /nfs/dbraw/zinc/78/05/31/1004780531.db2.gz MFHVPRGOCPXOIJ-POGFHVCPSA-N 2 1 424.633 3.947 20 0 HHADMP C[C@H](NC(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000501857967 1004780538 /nfs/dbraw/zinc/78/05/38/1004780538.db2.gz MFHVPRGOCPXOIJ-POGFHVCPSA-N 2 1 424.633 3.947 20 0 HHADMP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000513056215 1004782956 /nfs/dbraw/zinc/78/29/56/1004782956.db2.gz FMRLSJCSCKXDNN-AUSIDOKSSA-N 2 1 421.651 3.848 20 0 HHADMP COC(=O)C[C@](C)([NH2+]CCCCn1cc[nH+]c1C)c1ccc(Br)cc1 ZINC000513149160 1004832556 /nfs/dbraw/zinc/83/25/56/1004832556.db2.gz KBMKPFNBFAXJFA-IBGZPJMESA-N 2 1 408.340 3.802 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccsc1 ZINC000510883091 1004909446 /nfs/dbraw/zinc/90/94/46/1004909446.db2.gz OCXBGQIGLKIIIZ-LEWJYISDSA-N 2 1 414.619 3.951 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)N2CCCC23CC[NH+](C)CC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000510937657 1004943967 /nfs/dbraw/zinc/94/39/67/1004943967.db2.gz PFBBKXYFSGJOKD-XLIONFOSSA-N 2 1 422.976 3.742 20 0 HHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000510950807 1004950381 /nfs/dbraw/zinc/95/03/81/1004950381.db2.gz NCUVUSMVGJWQSM-TZIWHRDSSA-N 2 1 401.348 3.793 20 0 HHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cn(-c4ccccc4)nc3-c3ccc(C)o3)C2)CC1 ZINC000513485242 1004986033 /nfs/dbraw/zinc/98/60/33/1004986033.db2.gz OWXSDCBDNLIHJW-HSZRJFAPSA-N 2 1 419.573 3.653 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000511036923 1004991847 /nfs/dbraw/zinc/99/18/47/1004991847.db2.gz GNKKNKONMFDJED-NQHRYMMQSA-N 2 1 405.586 3.720 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000511036923 1004991850 /nfs/dbraw/zinc/99/18/50/1004991850.db2.gz GNKKNKONMFDJED-NQHRYMMQSA-N 2 1 405.586 3.720 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000511036925 1004991943 /nfs/dbraw/zinc/99/19/43/1004991943.db2.gz GNKKNKONMFDJED-SDUSCBPUSA-N 2 1 405.586 3.720 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000511036925 1004991946 /nfs/dbraw/zinc/99/19/46/1004991946.db2.gz GNKKNKONMFDJED-SDUSCBPUSA-N 2 1 405.586 3.720 20 0 HHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000511080247 1005009730 /nfs/dbraw/zinc/00/97/30/1005009730.db2.gz ICHFYRPECULOSG-GOSISDBHSA-N 2 1 411.512 3.874 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cnc(-c4ccccc4)s3)CC2)CC1 ZINC000513660961 1005071173 /nfs/dbraw/zinc/07/11/73/1005071173.db2.gz MBHLPTFIMPEQPG-UHFFFAOYSA-N 2 1 412.603 3.576 20 0 HHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(OCc4ccccc4)cc3)CC2)CC1 ZINC000513673593 1005077130 /nfs/dbraw/zinc/07/71/30/1005077130.db2.gz UQUPLJTUUYBNHI-UHFFFAOYSA-N 2 1 421.585 3.642 20 0 HHADMP Cc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc(C)c1OCc1ccccn1 ZINC000513679822 1005079116 /nfs/dbraw/zinc/07/91/16/1005079116.db2.gz ZYUASPPQONCPRX-VWLOTQADSA-N 2 1 422.617 3.879 20 0 HHADMP Cc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc(C)c1OCc1ccccn1 ZINC000513679822 1005079121 /nfs/dbraw/zinc/07/91/21/1005079121.db2.gz ZYUASPPQONCPRX-VWLOTQADSA-N 2 1 422.617 3.879 20 0 HHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511228749 1005082746 /nfs/dbraw/zinc/08/27/46/1005082746.db2.gz OLJISTIEKXNDNB-UGKGYDQZSA-N 2 1 400.611 3.933 20 0 HHADMP C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1)C1=CC[NH+](C)CC1 ZINC000511245355 1005088656 /nfs/dbraw/zinc/08/86/56/1005088656.db2.gz ARARLAONDBQVKB-NRFANRHFSA-N 2 1 410.606 3.867 20 0 HHADMP C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)C2(CCCCC2)C1)C1=CC[N@H+](C)CC1 ZINC000511245355 1005088661 /nfs/dbraw/zinc/08/86/61/1005088661.db2.gz ARARLAONDBQVKB-NRFANRHFSA-N 2 1 410.606 3.867 20 0 HHADMP C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)C2(CCCCC2)C1)C1=CC[N@@H+](C)CC1 ZINC000511245355 1005088665 /nfs/dbraw/zinc/08/86/65/1005088665.db2.gz ARARLAONDBQVKB-NRFANRHFSA-N 2 1 410.606 3.867 20 0 HHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)[C@@H]2CCC[C@H]21 ZINC000513713599 1005092692 /nfs/dbraw/zinc/09/26/92/1005092692.db2.gz QJOIUCOMACWWSG-FDFHNCONSA-N 2 1 417.550 3.589 20 0 HHADMP C[C@H](CCNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[NH+](C)Cc1ccccc1 ZINC000511254133 1005093810 /nfs/dbraw/zinc/09/38/10/1005093810.db2.gz YHFHAUGTJIFTQE-RZUBCFFCSA-N 2 1 400.611 3.849 20 0 HHADMP C[C@H](CCNC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000511254133 1005093816 /nfs/dbraw/zinc/09/38/16/1005093816.db2.gz YHFHAUGTJIFTQE-RZUBCFFCSA-N 2 1 400.611 3.849 20 0 HHADMP C[C@H](CCNC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000511254133 1005093823 /nfs/dbraw/zinc/09/38/23/1005093823.db2.gz YHFHAUGTJIFTQE-RZUBCFFCSA-N 2 1 400.611 3.849 20 0 HHADMP C[C@H](NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511264638 1005097195 /nfs/dbraw/zinc/09/71/95/1005097195.db2.gz GNAPRKGDUHLXKV-RBBKRZOGSA-N 2 1 404.643 3.937 20 0 HHADMP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511268878 1005100001 /nfs/dbraw/zinc/10/00/01/1005100001.db2.gz NCULMYUMXLEBPA-ICSRJNTNSA-N 2 1 404.574 3.552 20 0 HHADMP C[C@H](NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511292748 1005111404 /nfs/dbraw/zinc/11/14/04/1005111404.db2.gz KBAPVHAQTGJLFJ-ACIOBRDBSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@H](NC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511292748 1005111408 /nfs/dbraw/zinc/11/14/08/1005111408.db2.gz KBAPVHAQTGJLFJ-ACIOBRDBSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@H](NC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511292748 1005111410 /nfs/dbraw/zinc/11/14/10/1005111410.db2.gz KBAPVHAQTGJLFJ-ACIOBRDBSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@@H](NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511304713 1005116652 /nfs/dbraw/zinc/11/66/52/1005116652.db2.gz FSTFNCZRQPPMHS-URFJDIBFSA-N 2 1 413.606 3.679 20 0 HHADMP C[C@@H](NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511304713 1005116657 /nfs/dbraw/zinc/11/66/57/1005116657.db2.gz FSTFNCZRQPPMHS-URFJDIBFSA-N 2 1 413.606 3.679 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cnn(C2CCCC2)c1 ZINC000502680493 1005177433 /nfs/dbraw/zinc/17/74/33/1005177433.db2.gz AOAGUDFHIRGHSG-GHTZIAJQSA-N 2 1 409.578 3.546 20 0 HHADMP C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000511562456 1005225913 /nfs/dbraw/zinc/22/59/13/1005225913.db2.gz VATYEDFZSXVSGE-LZBANZJXSA-N 2 1 400.611 3.707 20 0 HHADMP CC[N@H+](Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCC[C@H]3C(N)=O)c2)cc1)C(C)C ZINC000511627804 1005251371 /nfs/dbraw/zinc/25/13/71/1005251371.db2.gz RMHNPQUQHIMDBC-QHCPKHFHSA-N 2 1 422.573 3.619 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCC[C@H]3C(N)=O)c2)cc1)C(C)C ZINC000511627804 1005251379 /nfs/dbraw/zinc/25/13/79/1005251379.db2.gz RMHNPQUQHIMDBC-QHCPKHFHSA-N 2 1 422.573 3.619 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)cc1)C(C)C ZINC000511627804 1005251383 /nfs/dbraw/zinc/25/13/83/1005251383.db2.gz RMHNPQUQHIMDBC-QHCPKHFHSA-N 2 1 422.573 3.619 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)cc1)C(C)C ZINC000511627804 1005251387 /nfs/dbraw/zinc/25/13/87/1005251387.db2.gz RMHNPQUQHIMDBC-QHCPKHFHSA-N 2 1 422.573 3.619 20 0 HHADMP Cc1ccccc1C[NH+]1CCN(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000502875917 1005254054 /nfs/dbraw/zinc/25/40/54/1005254054.db2.gz NVXHXHRVVPBZCU-NHCUHLMSSA-N 2 1 400.611 3.580 20 0 HHADMP C[C@@H]1CN([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c2c(F)cccc2Cl)CCO1 ZINC000514086548 1005259611 /nfs/dbraw/zinc/25/96/11/1005259611.db2.gz BEYQFDZQSZNIMS-DPDIENECSA-N 2 1 409.977 3.703 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000502892161 1005261818 /nfs/dbraw/zinc/26/18/18/1005261818.db2.gz BKAQLEVEVCPWDM-NRFANRHFSA-N 2 1 400.611 3.984 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCCC[NH+]1CCC[C@H](C)C1 ZINC000514094344 1005262527 /nfs/dbraw/zinc/26/25/27/1005262527.db2.gz KNKGOWXYXKPOGN-JTHBVZDNSA-N 2 1 415.626 3.590 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000514094344 1005262532 /nfs/dbraw/zinc/26/25/32/1005262532.db2.gz KNKGOWXYXKPOGN-JTHBVZDNSA-N 2 1 415.626 3.590 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000514094344 1005262537 /nfs/dbraw/zinc/26/25/37/1005262537.db2.gz KNKGOWXYXKPOGN-JTHBVZDNSA-N 2 1 415.626 3.590 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000514101945 1005266184 /nfs/dbraw/zinc/26/61/84/1005266184.db2.gz IUGWQMIMXRBSTL-HSZRJFAPSA-N 2 1 414.638 3.991 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000514101945 1005266189 /nfs/dbraw/zinc/26/61/89/1005266189.db2.gz IUGWQMIMXRBSTL-HSZRJFAPSA-N 2 1 414.638 3.991 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000514101945 1005266196 /nfs/dbraw/zinc/26/61/96/1005266196.db2.gz IUGWQMIMXRBSTL-HSZRJFAPSA-N 2 1 414.638 3.991 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000514108113 1005269236 /nfs/dbraw/zinc/26/92/36/1005269236.db2.gz VJQOGGHXZVOELL-FYYLOGMGSA-N 2 1 415.626 3.732 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000514108113 1005269240 /nfs/dbraw/zinc/26/92/40/1005269240.db2.gz VJQOGGHXZVOELL-FYYLOGMGSA-N 2 1 415.626 3.732 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000514108113 1005269244 /nfs/dbraw/zinc/26/92/44/1005269244.db2.gz VJQOGGHXZVOELL-FYYLOGMGSA-N 2 1 415.626 3.732 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)Cc1ccccc1 ZINC000514171703 1005297990 /nfs/dbraw/zinc/29/79/90/1005297990.db2.gz FYVCQJZRULZFGT-VWLOTQADSA-N 2 1 422.617 3.509 20 0 HHADMP Cc1nc(COc2ccc(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@@H](O)C3)cc2)cs1 ZINC000514235045 1005325676 /nfs/dbraw/zinc/32/56/76/1005325676.db2.gz WIIXHQGNFDWZLI-HSZRJFAPSA-N 2 1 423.582 3.887 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000514238512 1005327030 /nfs/dbraw/zinc/32/70/30/1005327030.db2.gz FDOZKLJRXDIEMV-PLRSXRBSSA-N 2 1 405.586 3.895 20 0 HHADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 ZINC000514241838 1005329100 /nfs/dbraw/zinc/32/91/00/1005329100.db2.gz JJMKQBGDVNAUKH-INIZCTEOSA-N 2 1 409.452 3.642 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 ZINC000514241838 1005329103 /nfs/dbraw/zinc/32/91/03/1005329103.db2.gz JJMKQBGDVNAUKH-INIZCTEOSA-N 2 1 409.452 3.642 20 0 HHADMP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+](C)CCCn3cc[nH+]c3C)ccc2c1 ZINC000503076111 1005340277 /nfs/dbraw/zinc/34/02/77/1005340277.db2.gz XGCMVMZZCPLZGQ-SFHVURJKSA-N 2 1 408.546 3.722 20 0 HHADMP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+](C)CCCn3cc[nH+]c3C)ccc2c1 ZINC000503076111 1005340284 /nfs/dbraw/zinc/34/02/84/1005340284.db2.gz XGCMVMZZCPLZGQ-SFHVURJKSA-N 2 1 408.546 3.722 20 0 HHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000503077927 1005341392 /nfs/dbraw/zinc/34/13/92/1005341392.db2.gz WDEGEHDEVBMFRZ-QHCPKHFHSA-N 2 1 408.571 3.749 20 0 HHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000503077927 1005341395 /nfs/dbraw/zinc/34/13/95/1005341395.db2.gz WDEGEHDEVBMFRZ-QHCPKHFHSA-N 2 1 408.571 3.749 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)[NH+](C)C ZINC000503110010 1005349488 /nfs/dbraw/zinc/34/94/88/1005349488.db2.gz SDDGXLIBEQDJDR-WIYYLYMNSA-N 2 1 412.578 3.727 20 0 HHADMP Cc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000503209936 1005369182 /nfs/dbraw/zinc/36/91/82/1005369182.db2.gz WELUKKJXBLCMBM-PKTZIBPZSA-N 2 1 424.589 3.589 20 0 HHADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000503504853 1005439343 /nfs/dbraw/zinc/43/93/43/1005439343.db2.gz RXSZDTPGWWGBER-PKTZIBPZSA-N 2 1 424.589 3.670 20 0 HHADMP COc1cccc([C@H]2[C@@H](NC(=O)N(C)CC[NH+](C(C)C)C(C)C)CC[N@H+]2C2CC2)c1 ZINC000504402474 1005619407 /nfs/dbraw/zinc/61/94/07/1005619407.db2.gz AMVPZFBKUKPJFP-GOTSBHOMSA-N 2 1 416.610 3.733 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)[NH+]1CCCC1 ZINC000514439095 1005991475 /nfs/dbraw/zinc/99/14/75/1005991475.db2.gz ZJDKZEREVNCLCB-PKTZIBPZSA-N 2 1 422.573 3.530 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)[NH+]1CCCC1 ZINC000514439095 1005991481 /nfs/dbraw/zinc/99/14/81/1005991481.db2.gz ZJDKZEREVNCLCB-PKTZIBPZSA-N 2 1 422.573 3.530 20 0 HHADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000531143466 1006016456 /nfs/dbraw/zinc/01/64/56/1006016456.db2.gz DJIIEEXPFNEQAO-QHCPKHFHSA-N 2 1 418.528 3.848 20 0 HHADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000531143466 1006016471 /nfs/dbraw/zinc/01/64/71/1006016471.db2.gz DJIIEEXPFNEQAO-QHCPKHFHSA-N 2 1 418.528 3.848 20 0 HHADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3csc(-c4ccccn4)n3)CC2)C[C@H](C)O1 ZINC000531178295 1006030329 /nfs/dbraw/zinc/03/03/29/1006030329.db2.gz PUMHVSBPXPAPLS-HDICACEKSA-N 2 1 400.592 3.916 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3csc(-c4ccccn4)n3)CC2)C[C@H](C)O1 ZINC000531178295 1006030339 /nfs/dbraw/zinc/03/03/39/1006030339.db2.gz PUMHVSBPXPAPLS-HDICACEKSA-N 2 1 400.592 3.916 20 0 HHADMP Cc1cccc2c1CC[C@H]2NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000531189889 1006035512 /nfs/dbraw/zinc/03/55/12/1006035512.db2.gz GVSSIWZNRRPDAD-XMMPIXPASA-N 2 1 412.622 3.820 20 0 HHADMP Cc1nc2ccccn2c(=O)c1CCN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000514635767 1006064007 /nfs/dbraw/zinc/06/40/07/1006064007.db2.gz XZJUKLKOXGUHJL-VWNXMTODSA-N 2 1 416.569 3.532 20 0 HHADMP Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000514635767 1006064022 /nfs/dbraw/zinc/06/40/22/1006064022.db2.gz XZJUKLKOXGUHJL-VWNXMTODSA-N 2 1 416.569 3.532 20 0 HHADMP Cc1nc2ccccn2c(=O)c1CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000514635767 1006064030 /nfs/dbraw/zinc/06/40/30/1006064030.db2.gz XZJUKLKOXGUHJL-VWNXMTODSA-N 2 1 416.569 3.532 20 0 HHADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(OCc2ccccc2Cl)c1 ZINC000514758007 1006109625 /nfs/dbraw/zinc/10/96/25/1006109625.db2.gz HTCWIOOQRJWQAT-UHFFFAOYSA-N 2 1 401.982 3.988 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534226362 1006223515 /nfs/dbraw/zinc/22/35/15/1006223515.db2.gz KHINQDTWCTXGFX-LZJOCLMNSA-N 2 1 422.976 3.788 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534226362 1006223523 /nfs/dbraw/zinc/22/35/23/1006223523.db2.gz KHINQDTWCTXGFX-LZJOCLMNSA-N 2 1 422.976 3.788 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534226362 1006223532 /nfs/dbraw/zinc/22/35/32/1006223532.db2.gz KHINQDTWCTXGFX-LZJOCLMNSA-N 2 1 422.976 3.788 20 0 HHADMP C[C@@H](CCNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000534258374 1006267306 /nfs/dbraw/zinc/26/73/06/1006267306.db2.gz XRNDEVBZMNEPLU-SFHVURJKSA-N 2 1 400.542 3.597 20 0 HHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCSCCOc1cccc(Br)c1 ZINC000531715213 1006373836 /nfs/dbraw/zinc/37/38/36/1006373836.db2.gz ABCQMOUJVSHVRF-RVKKMQEKSA-N 2 1 401.414 3.879 20 0 HHADMP C[NH+]1CCC([C@@H]2CCN(C(=O)C[NH+](Cc3ccccc3)Cc3ccccc3)C2)CC1 ZINC000534413290 1006388615 /nfs/dbraw/zinc/38/86/15/1006388615.db2.gz ZHBLHMWDDGPSJQ-RUZDIDTESA-N 2 1 405.586 3.879 20 0 HHADMP COc1cccc(CNC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000515518743 1006511439 /nfs/dbraw/zinc/51/14/39/1006511439.db2.gz MXIYZWXNLBCKLA-WOJBJXKFSA-N 2 1 409.574 3.722 20 0 HHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC000531939636 1006533610 /nfs/dbraw/zinc/53/36/10/1006533610.db2.gz FOIXPWXYEKTAGW-DVECYGJZSA-N 2 1 406.574 3.601 20 0 HHADMP CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000531981320 1006558119 /nfs/dbraw/zinc/55/81/19/1006558119.db2.gz UOVNYINTSMKZPO-HJPURHCSSA-N 2 1 401.514 3.670 20 0 HHADMP COc1ccc([C@H](C)[NH2+]CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)cc1F ZINC000538388932 1006658309 /nfs/dbraw/zinc/65/83/09/1006658309.db2.gz KSMQVKADSVYCPT-IBGZPJMESA-N 2 1 413.537 3.528 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)o1 ZINC000515804530 1006685592 /nfs/dbraw/zinc/68/55/92/1006685592.db2.gz RTSBWMFECLUFOU-HXUWFJFHSA-N 2 1 406.958 3.618 20 0 HHADMP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1OC ZINC000532442197 1006884913 /nfs/dbraw/zinc/88/49/13/1006884913.db2.gz GYOIKDXKVJZDGI-MJGOQNOKSA-N 2 1 403.592 3.713 20 0 HHADMP COc1cc(F)c([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1OC ZINC000532442177 1006885245 /nfs/dbraw/zinc/88/52/45/1006885245.db2.gz AWRDJOCJEIZEEZ-CRAIPNDOSA-N 2 1 407.555 3.544 20 0 HHADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000532442812 1006885707 /nfs/dbraw/zinc/88/57/07/1006885707.db2.gz IPRCBCLONXWORA-WIYYLYMNSA-N 2 1 412.603 3.514 20 0 HHADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000532442218 1006885833 /nfs/dbraw/zinc/88/58/33/1006885833.db2.gz KTHIYTJCSGKWHA-UZLBHIALSA-N 2 1 412.603 3.617 20 0 HHADMP Cc1ccc(OCCCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(Cl)c1 ZINC000532446119 1006889220 /nfs/dbraw/zinc/88/92/20/1006889220.db2.gz LHVSADPJSZCXSO-UHFFFAOYSA-N 2 1 402.926 3.593 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000532457322 1006898578 /nfs/dbraw/zinc/89/85/78/1006898578.db2.gz QYHMMCGYDSQVSP-IBGZPJMESA-N 2 1 415.603 3.774 20 0 HHADMP COc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)N2CCOCC2)cc1 ZINC000532460346 1006900447 /nfs/dbraw/zinc/90/04/47/1006900447.db2.gz GWEKUCUGDYWRJM-CVJWPJSTSA-N 2 1 423.601 3.711 20 0 HHADMP COc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)N2CCOCC2)cc1 ZINC000532460346 1006900460 /nfs/dbraw/zinc/90/04/60/1006900460.db2.gz GWEKUCUGDYWRJM-CVJWPJSTSA-N 2 1 423.601 3.711 20 0 HHADMP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000532485020 1006925175 /nfs/dbraw/zinc/92/51/75/1006925175.db2.gz GCAKCXKDDFXETN-INIZCTEOSA-N 2 1 413.484 3.657 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538663098 1006938398 /nfs/dbraw/zinc/93/83/98/1006938398.db2.gz QXNCSYROSDXDLC-YYWHXJBOSA-N 2 1 422.976 3.881 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538663098 1006938408 /nfs/dbraw/zinc/93/84/08/1006938408.db2.gz QXNCSYROSDXDLC-YYWHXJBOSA-N 2 1 422.976 3.881 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538663098 1006938415 /nfs/dbraw/zinc/93/84/15/1006938415.db2.gz QXNCSYROSDXDLC-YYWHXJBOSA-N 2 1 422.976 3.881 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538663098 1006938427 /nfs/dbraw/zinc/93/84/27/1006938427.db2.gz QXNCSYROSDXDLC-YYWHXJBOSA-N 2 1 422.976 3.881 20 0 HHADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000516204421 1006942027 /nfs/dbraw/zinc/94/20/27/1006942027.db2.gz ZCQPNYXVNJPULG-RBBKRZOGSA-N 2 1 421.589 3.704 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)cc1)C(C)C ZINC000534920706 1006956631 /nfs/dbraw/zinc/95/66/31/1006956631.db2.gz TWABXEMINPXGDU-RPBOFIJWSA-N 2 1 423.601 3.530 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cc1)C(C)C ZINC000534920706 1006956639 /nfs/dbraw/zinc/95/66/39/1006956639.db2.gz TWABXEMINPXGDU-RPBOFIJWSA-N 2 1 423.601 3.530 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cc1)C(C)C ZINC000534920706 1006956653 /nfs/dbraw/zinc/95/66/53/1006956653.db2.gz TWABXEMINPXGDU-RPBOFIJWSA-N 2 1 423.601 3.530 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534941581 1006981556 /nfs/dbraw/zinc/98/15/56/1006981556.db2.gz RNIMVNXRSAWZHZ-HGHGUNKESA-N 2 1 424.992 3.749 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534941581 1006981571 /nfs/dbraw/zinc/98/15/71/1006981571.db2.gz RNIMVNXRSAWZHZ-HGHGUNKESA-N 2 1 424.992 3.749 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534941581 1006981591 /nfs/dbraw/zinc/98/15/91/1006981591.db2.gz RNIMVNXRSAWZHZ-HGHGUNKESA-N 2 1 424.992 3.749 20 0 HHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c3ccc4ccccc4c3)C2)CC1 ZINC000532568027 1006999336 /nfs/dbraw/zinc/99/93/36/1006999336.db2.gz YARNQINEERPPJJ-BPYKYCOYSA-N 2 1 422.617 3.506 20 0 HHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)N[C@@H](C)c3ccc4ccccc4c3)C2)CC1 ZINC000532568027 1006999343 /nfs/dbraw/zinc/99/93/43/1006999343.db2.gz YARNQINEERPPJJ-BPYKYCOYSA-N 2 1 422.617 3.506 20 0 HHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534958840 1007003745 /nfs/dbraw/zinc/00/37/45/1007003745.db2.gz ISTJHCKZZIMTJH-SQGPQFPESA-N 2 1 410.965 3.646 20 0 HHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534958840 1007003760 /nfs/dbraw/zinc/00/37/60/1007003760.db2.gz ISTJHCKZZIMTJH-SQGPQFPESA-N 2 1 410.965 3.646 20 0 HHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534958840 1007003772 /nfs/dbraw/zinc/00/37/72/1007003772.db2.gz ISTJHCKZZIMTJH-SQGPQFPESA-N 2 1 410.965 3.646 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534959561 1007005496 /nfs/dbraw/zinc/00/54/96/1007005496.db2.gz BIKPXUWCUILYMZ-MMOPVJDHSA-N 2 1 424.992 3.892 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534959561 1007005510 /nfs/dbraw/zinc/00/55/10/1007005510.db2.gz BIKPXUWCUILYMZ-MMOPVJDHSA-N 2 1 424.992 3.892 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534959561 1007005524 /nfs/dbraw/zinc/00/55/24/1007005524.db2.gz BIKPXUWCUILYMZ-MMOPVJDHSA-N 2 1 424.992 3.892 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000532579041 1007012786 /nfs/dbraw/zinc/01/27/86/1007012786.db2.gz FWTAIZFKAKRJGQ-URXFXBBRSA-N 2 1 405.586 3.720 20 0 HHADMP Fc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)ccc1-n1cncn1 ZINC000538733038 1007014918 /nfs/dbraw/zinc/01/49/18/1007014918.db2.gz MJQRBZNOTLQVEU-DEOSSOPVSA-N 2 1 405.521 3.895 20 0 HHADMP Fc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)ccc1-n1cncn1 ZINC000538733038 1007014931 /nfs/dbraw/zinc/01/49/31/1007014931.db2.gz MJQRBZNOTLQVEU-DEOSSOPVSA-N 2 1 405.521 3.895 20 0 HHADMP Fc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)ccc1-n1cncn1 ZINC000538733038 1007014940 /nfs/dbraw/zinc/01/49/40/1007014940.db2.gz MJQRBZNOTLQVEU-DEOSSOPVSA-N 2 1 405.521 3.895 20 0 HHADMP Fc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)ccc1-n1cncn1 ZINC000538733038 1007014953 /nfs/dbraw/zinc/01/49/53/1007014953.db2.gz MJQRBZNOTLQVEU-DEOSSOPVSA-N 2 1 405.521 3.895 20 0 HHADMP O=C(C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)N1CCc2sccc2C1 ZINC000534965379 1007016206 /nfs/dbraw/zinc/01/62/06/1007016206.db2.gz SVIDUCDINFTYIM-UHFFFAOYSA-N 2 1 409.599 3.621 20 0 HHADMP CCCCOc1ccc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1OC ZINC000538761629 1007045882 /nfs/dbraw/zinc/04/58/82/1007045882.db2.gz PICDAWWEZCHLGV-UHFFFAOYSA-N 2 1 403.611 3.865 20 0 HHADMP C[C@@H]1CCC[C@@H](OCCCCCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1 ZINC000535036863 1007075690 /nfs/dbraw/zinc/07/56/90/1007075690.db2.gz CHUQUESBRBYDJB-WOJBJXKFSA-N 2 1 402.583 3.928 20 0 HHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000538795945 1007077294 /nfs/dbraw/zinc/07/72/94/1007077294.db2.gz FIRQSERWOHEGDS-MDNUFGMLSA-N 2 1 416.997 3.885 20 0 HHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000538795945 1007077305 /nfs/dbraw/zinc/07/73/05/1007077305.db2.gz FIRQSERWOHEGDS-MDNUFGMLSA-N 2 1 416.997 3.885 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000516581646 1007167190 /nfs/dbraw/zinc/16/71/90/1007167190.db2.gz HNHRFVTWCULQJE-UGKGYDQZSA-N 2 1 412.553 3.734 20 0 HHADMP CCC[N@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000516601867 1007184214 /nfs/dbraw/zinc/18/42/14/1007184214.db2.gz UDFRJPZPQYLZST-HXUWFJFHSA-N 2 1 400.611 3.982 20 0 HHADMP CCC[NH+]1CC[C@H](CNC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000516601867 1007184223 /nfs/dbraw/zinc/18/42/23/1007184223.db2.gz UDFRJPZPQYLZST-HXUWFJFHSA-N 2 1 400.611 3.982 20 0 HHADMP CCC[NH+]1CC[C@H](CNC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000516601867 1007184229 /nfs/dbraw/zinc/18/42/29/1007184229.db2.gz UDFRJPZPQYLZST-HXUWFJFHSA-N 2 1 400.611 3.982 20 0 HHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1)CC1CC1 ZINC000538915922 1007200723 /nfs/dbraw/zinc/20/07/23/1007200723.db2.gz BBFPMJOSZGWDCR-HSZRJFAPSA-N 2 1 400.611 3.833 20 0 HHADMP C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538944951 1007229269 /nfs/dbraw/zinc/22/92/69/1007229269.db2.gz CJDFPJDXDGYVJF-FQEVSTJZSA-N 2 1 406.574 3.988 20 0 HHADMP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538945855 1007230383 /nfs/dbraw/zinc/23/03/83/1007230383.db2.gz SOBMSVJMWPDGDE-INIZCTEOSA-N 2 1 402.489 3.925 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(F)c(C(F)(F)F)c3)c2)C1 ZINC000535201094 1007249129 /nfs/dbraw/zinc/24/91/29/1007249129.db2.gz OZASFNRVEOLCKR-SFHVURJKSA-N 2 1 423.454 3.832 20 0 HHADMP Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(CC[NH+](C)C)CC3)[C@H](c3ccco3)C2)cc1 ZINC000532926829 1007299319 /nfs/dbraw/zinc/29/93/19/1007299319.db2.gz LRLWYLMQFHQRES-QHCPKHFHSA-N 2 1 422.573 3.929 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000532968108 1007335674 /nfs/dbraw/zinc/33/56/74/1007335674.db2.gz SUPFUMAESLLXSI-OAQYLSRUSA-N 2 1 409.578 3.768 20 0 HHADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000539042715 1007339736 /nfs/dbraw/zinc/33/97/36/1007339736.db2.gz GYMXPAPWRQSUPM-IRFCIJBXSA-N 2 1 415.603 3.546 20 0 HHADMP C[C@H](Cn1cc(Br)cn1)[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000539042751 1007340023 /nfs/dbraw/zinc/34/00/23/1007340023.db2.gz JLOZDTDXJCONSF-ZIFCJYIRSA-N 2 1 405.384 3.924 20 0 HHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000516988003 1007359543 /nfs/dbraw/zinc/35/95/43/1007359543.db2.gz OPZDUDNQGRBNCB-UHFFFAOYSA-N 2 1 418.607 3.717 20 0 HHADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2cccc(NC(=O)c3ccc(OC)cc3)c2)[C@@H](C)C1 ZINC000539083134 1007372815 /nfs/dbraw/zinc/37/28/15/1007372815.db2.gz WPRMWCZDIBOHQY-FDDCHVKYSA-N 2 1 411.546 3.646 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cnc(-c4ccccc4)nc3)CC2)CC1 ZINC000533025560 1007386666 /nfs/dbraw/zinc/38/66/66/1007386666.db2.gz USCNQMTVSHSSDB-UHFFFAOYSA-N 2 1 407.606 3.772 20 0 HHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000539104206 1007391365 /nfs/dbraw/zinc/39/13/65/1007391365.db2.gz BKKVMHULDYSQDY-INIZCTEOSA-N 2 1 405.384 3.844 20 0 HHADMP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000533072922 1007435391 /nfs/dbraw/zinc/43/53/91/1007435391.db2.gz BNWOTDFDZAYVBW-UHFFFAOYSA-N 2 1 405.489 3.551 20 0 HHADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000517143184 1007457563 /nfs/dbraw/zinc/45/75/63/1007457563.db2.gz VAAHEQMERKJWHM-FQEVSTJZSA-N 2 1 407.002 3.678 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000517143184 1007457571 /nfs/dbraw/zinc/45/75/71/1007457571.db2.gz VAAHEQMERKJWHM-FQEVSTJZSA-N 2 1 407.002 3.678 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000517143184 1007457578 /nfs/dbraw/zinc/45/75/78/1007457578.db2.gz VAAHEQMERKJWHM-FQEVSTJZSA-N 2 1 407.002 3.678 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000517143184 1007457589 /nfs/dbraw/zinc/45/75/89/1007457589.db2.gz VAAHEQMERKJWHM-FQEVSTJZSA-N 2 1 407.002 3.678 20 0 HHADMP CN1CC[C@@H]([NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)C[C@@H]1c1ccccc1 ZINC000517226230 1007511892 /nfs/dbraw/zinc/51/18/92/1007511892.db2.gz HCDMAMQYBHOLKK-TWJOJJKGSA-N 2 1 406.618 3.790 20 0 HHADMP C[NH+](C)CC1CC[NH+](CC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)CC1 ZINC000533242504 1007562538 /nfs/dbraw/zinc/56/25/38/1007562538.db2.gz JOZGASQALLFWIE-UHFFFAOYSA-N 2 1 417.557 3.751 20 0 HHADMP CCOc1ccc2nc(NC(=O)C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)sc2c1 ZINC000533270520 1007585331 /nfs/dbraw/zinc/58/53/31/1007585331.db2.gz DWGWMTYYIZPRRY-UHFFFAOYSA-N 2 1 404.580 3.686 20 0 HHADMP CCOc1ccc2nc(NC(=O)C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)sc2c1 ZINC000533270520 1007585341 /nfs/dbraw/zinc/58/53/41/1007585341.db2.gz DWGWMTYYIZPRRY-UHFFFAOYSA-N 2 1 404.580 3.686 20 0 HHADMP Cc1cc(-c2nnc(C[NH+]3CCC(CC[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)o2)c(C)o1 ZINC000535552988 1007590807 /nfs/dbraw/zinc/59/08/07/1007590807.db2.gz GXMWQPSXAVPQKO-CALCHBBNSA-N 2 1 402.539 3.658 20 0 HHADMP Cc1cc(-c2nnc(C[NH+]3CCC(CC[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)o2)c(C)o1 ZINC000535552988 1007590812 /nfs/dbraw/zinc/59/08/12/1007590812.db2.gz GXMWQPSXAVPQKO-CALCHBBNSA-N 2 1 402.539 3.658 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2F)CC1 ZINC000539310739 1007609016 /nfs/dbraw/zinc/60/90/16/1007609016.db2.gz JRZSQEMUCKHZEG-KRWDZBQOSA-N 2 1 416.516 3.704 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2ccc(C(=O)OC)o2)CC1 ZINC000539312054 1007610838 /nfs/dbraw/zinc/61/08/38/1007610838.db2.gz GQNCSJSLKXNASK-JKSUJKDBSA-N 2 1 403.498 3.759 20 0 HHADMP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000539363399 1007665595 /nfs/dbraw/zinc/66/55/95/1007665595.db2.gz VSMLVCFWJMMVCP-PMACEKPBSA-N 2 1 400.588 3.871 20 0 HHADMP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000539363399 1007665600 /nfs/dbraw/zinc/66/56/00/1007665600.db2.gz VSMLVCFWJMMVCP-PMACEKPBSA-N 2 1 400.588 3.871 20 0 HHADMP Cc1nc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)sc1C ZINC000533413409 1007720198 /nfs/dbraw/zinc/72/01/98/1007720198.db2.gz YADBOPDFIJIREO-QGZVFWFLSA-N 2 1 400.592 3.931 20 0 HHADMP Cc1nc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)sc1C ZINC000533413409 1007720223 /nfs/dbraw/zinc/72/02/23/1007720223.db2.gz YADBOPDFIJIREO-QGZVFWFLSA-N 2 1 400.592 3.931 20 0 HHADMP C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000533416072 1007723243 /nfs/dbraw/zinc/72/32/43/1007723243.db2.gz GZWCPMSEAOHRKL-AQNXPRMDSA-N 2 1 409.574 3.988 20 0 HHADMP CCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000533439507 1007755467 /nfs/dbraw/zinc/75/54/67/1007755467.db2.gz OBKNMUDKIBCGIG-FCHUYYIVSA-N 2 1 405.627 3.569 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000533464635 1007775546 /nfs/dbraw/zinc/77/55/46/1007775546.db2.gz KPMWTOJHUDASNC-UHFFFAOYSA-N 2 1 409.715 3.502 20 0 HHADMP O[C@]1(C[NH2+]Cc2ccc(Cl)c(Br)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000539515586 1007826270 /nfs/dbraw/zinc/82/62/70/1007826270.db2.gz MEFVUTKZLPGOMD-IBGZPJMESA-N 2 1 409.755 3.829 20 0 HHADMP O[C@]1(C[NH2+]Cc2ccc(Cl)c(Br)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000539515586 1007826279 /nfs/dbraw/zinc/82/62/79/1007826279.db2.gz MEFVUTKZLPGOMD-IBGZPJMESA-N 2 1 409.755 3.829 20 0 HHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1ccccc1OCC[NH+](CC)CC ZINC000539543366 1007854158 /nfs/dbraw/zinc/85/41/58/1007854158.db2.gz ZFSLHZQXLUBATG-IBGZPJMESA-N 2 1 413.566 3.863 20 0 HHADMP CCC1(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000533593039 1007891134 /nfs/dbraw/zinc/89/11/34/1007891134.db2.gz RRLFXDMSBFLVMJ-PKTZIBPZSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000535937354 1007966392 /nfs/dbraw/zinc/96/63/92/1007966392.db2.gz NHTXERMVWYFAIG-JCTONOIOSA-N 2 1 412.622 3.660 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1F ZINC000517806590 1007982918 /nfs/dbraw/zinc/98/29/18/1007982918.db2.gz QQHWTPSOOHXFMH-KSFYIVLOSA-N 2 1 401.530 3.630 20 0 HHADMP FC(F)(F)c1ccc(-c2nc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)co2)cc1 ZINC000535980767 1008021086 /nfs/dbraw/zinc/02/10/86/1008021086.db2.gz NSLPQOYKLAGWOH-UHFFFAOYSA-N 2 1 409.452 3.905 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NCC2=CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539766527 1008082745 /nfs/dbraw/zinc/08/27/45/1008082745.db2.gz PSLBIGPNQYCQDZ-VQTJNVASSA-N 2 1 408.949 3.564 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NCC2=CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539766527 1008082748 /nfs/dbraw/zinc/08/27/48/1008082748.db2.gz PSLBIGPNQYCQDZ-VQTJNVASSA-N 2 1 408.949 3.564 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)NCC2=CC[N@H+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539766527 1008082752 /nfs/dbraw/zinc/08/27/52/1008082752.db2.gz PSLBIGPNQYCQDZ-VQTJNVASSA-N 2 1 408.949 3.564 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)NCC2=CC[N@@H+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539766527 1008082755 /nfs/dbraw/zinc/08/27/55/1008082755.db2.gz PSLBIGPNQYCQDZ-VQTJNVASSA-N 2 1 408.949 3.564 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2ccnc3ccccc23)CC1)Cc1ccccc1 ZINC000539836091 1008128386 /nfs/dbraw/zinc/12/83/86/1008128386.db2.gz REIVPOVXHMGVFU-UHFFFAOYSA-N 2 1 416.569 3.695 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccccc3OCC[NH+](C)C)cc2)C1 ZINC000518051739 1008129767 /nfs/dbraw/zinc/12/97/67/1008129767.db2.gz RCYBNQLIPGTTFP-HXUWFJFHSA-N 2 1 409.574 3.789 20 0 HHADMP C[C@@H]1C[N@@H+]([C@H]2CCCc3ccc(Br)cc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000539886766 1008162499 /nfs/dbraw/zinc/16/24/99/1008162499.db2.gz OCBQCVVSOHCIIJ-HBGVWJBISA-N 2 1 406.412 3.784 20 0 HHADMP C[C@@H]1C[N@H+]([C@H]2CCCc3ccc(Br)cc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000539886766 1008162504 /nfs/dbraw/zinc/16/25/04/1008162504.db2.gz OCBQCVVSOHCIIJ-HBGVWJBISA-N 2 1 406.412 3.784 20 0 HHADMP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1OCc1ccccc1 ZINC000539893866 1008168939 /nfs/dbraw/zinc/16/89/39/1008168939.db2.gz AQVGFWWBZVZKKV-WPFOTENUSA-N 2 1 410.558 3.958 20 0 HHADMP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1OCc1ccccc1 ZINC000539893866 1008168943 /nfs/dbraw/zinc/16/89/43/1008168943.db2.gz AQVGFWWBZVZKKV-WPFOTENUSA-N 2 1 410.558 3.958 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc2ccccc2nc1N1CCCCC1 ZINC000539896960 1008170622 /nfs/dbraw/zinc/17/06/22/1008170622.db2.gz SPLAGRSNCMYMIC-YFNKSVMNSA-N 2 1 408.590 3.909 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc2ccccc2nc1N1CCCCC1 ZINC000539896960 1008170626 /nfs/dbraw/zinc/17/06/26/1008170626.db2.gz SPLAGRSNCMYMIC-YFNKSVMNSA-N 2 1 408.590 3.909 20 0 HHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000539951948 1008202719 /nfs/dbraw/zinc/20/27/19/1008202719.db2.gz YUVVYYJQLMIBMF-BGYRXZFFSA-N 2 1 401.599 3.592 20 0 HHADMP CC[NH+]1CCN(C(=O)Cc2ccc(N[C@@H]3CC[N@@H+]([C@H](C)c4ccccc4)C3)cc2)CC1 ZINC000539957345 1008205173 /nfs/dbraw/zinc/20/51/73/1008205173.db2.gz YOJZLUFVSFQZQL-PXDATVDWSA-N 2 1 420.601 3.641 20 0 HHADMP CC[NH+]1CCN(C(=O)Cc2ccc(N[C@@H]3CC[N@H+]([C@H](C)c4ccccc4)C3)cc2)CC1 ZINC000539957345 1008205177 /nfs/dbraw/zinc/20/51/77/1008205177.db2.gz YOJZLUFVSFQZQL-PXDATVDWSA-N 2 1 420.601 3.641 20 0 HHADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc(Br)s2)[C@@H](c2ccccc2)C1 ZINC000518268173 1008234252 /nfs/dbraw/zinc/23/42/52/1008234252.db2.gz GMGYDIVMZDZBPD-GOSISDBHSA-N 2 1 408.409 3.979 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)CC2)cs1 ZINC000518306715 1008252536 /nfs/dbraw/zinc/25/25/36/1008252536.db2.gz YNTVTLLFJIPAOQ-UHFFFAOYSA-N 2 1 412.603 3.576 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000540044212 1008253258 /nfs/dbraw/zinc/25/32/58/1008253258.db2.gz PNALAESMDXUBKR-NRFANRHFSA-N 2 1 414.500 3.704 20 0 HHADMP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540044087 1008253673 /nfs/dbraw/zinc/25/36/73/1008253673.db2.gz PXOBLBURDWLRLL-GOSISDBHSA-N 2 1 414.981 3.978 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NCCCC[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)cs1 ZINC000518311388 1008254732 /nfs/dbraw/zinc/25/47/32/1008254732.db2.gz ROLTVBXUTZRKOK-QZTJIDSGSA-N 2 1 406.640 3.538 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCCc1ccc(Cl)cc1 ZINC000540046158 1008255932 /nfs/dbraw/zinc/25/59/32/1008255932.db2.gz WHSSRHPJIXSGHA-UHFFFAOYSA-N 2 1 414.981 3.632 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000540160854 1008316714 /nfs/dbraw/zinc/31/67/14/1008316714.db2.gz OXROFDGAQHBERK-RMVZNSSTSA-N 2 1 420.569 3.802 20 0 HHADMP COc1ccc([C@@H](CNC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000518459896 1008316957 /nfs/dbraw/zinc/31/69/57/1008316957.db2.gz JRHLZDNAEMGEPQ-SIKLNZKXSA-N 2 1 416.610 3.642 20 0 HHADMP Brc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c(N2CCOCC2)c1 ZINC000540165385 1008318688 /nfs/dbraw/zinc/31/86/88/1008318688.db2.gz QEJOHDISTMEWLI-UHFFFAOYSA-N 2 1 422.411 3.782 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000518471710 1008320218 /nfs/dbraw/zinc/32/02/18/1008320218.db2.gz QCWYSNZQLJZZHE-DEOSSOPVSA-N 2 1 420.601 3.515 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000518471711 1008320347 /nfs/dbraw/zinc/32/03/47/1008320347.db2.gz QCWYSNZQLJZZHE-XMMPIXPASA-N 2 1 420.601 3.515 20 0 HHADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000518573420 1008351468 /nfs/dbraw/zinc/35/14/68/1008351468.db2.gz POLVOUQPXFGGGG-GGAORHGYSA-N 2 1 421.585 3.922 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3ccccc3Br)CC2)CC1 ZINC000518747569 1008412524 /nfs/dbraw/zinc/41/25/24/1008412524.db2.gz KCRZUUYEYWYNKO-QGZVFWFLSA-N 2 1 422.411 3.776 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCCOc2cccc(Cl)c2Cl)CC1 ZINC000519079193 1008522080 /nfs/dbraw/zinc/52/20/80/1008522080.db2.gz WHLKKHYQNOCJDU-UHFFFAOYSA-N 2 1 423.344 3.938 20 0 HHADMP CCN(C(=O)c1ccc(C[NH+]2CCSCC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000545476167 1008582597 /nfs/dbraw/zinc/58/25/97/1008582597.db2.gz MFRGMLAMJFLVLD-XMMPIXPASA-N 2 1 423.626 3.972 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000549034440 1008601956 /nfs/dbraw/zinc/60/19/56/1008601956.db2.gz QXMGGSVPWQQUHH-XMMPIXPASA-N 2 1 406.574 3.804 20 0 HHADMP C[C@H](CNC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1)[N@@H+](C)C1CC1 ZINC000519205180 1008610390 /nfs/dbraw/zinc/61/03/90/1008610390.db2.gz SLVCLFGJRUYXBZ-OAHLLOKOSA-N 2 1 415.409 3.939 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]C2CC(c3ccc(F)cc3)C2)c1 ZINC000543066554 1008643455 /nfs/dbraw/zinc/64/34/55/1008643455.db2.gz JCHCKGGSFMHKEI-UHFFFAOYSA-N 2 1 411.521 3.522 20 0 HHADMP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC)C1 ZINC000543074774 1008652511 /nfs/dbraw/zinc/65/25/11/1008652511.db2.gz XLWGUOLFZJBQFE-PBHICJAKSA-N 2 1 409.596 3.580 20 0 HHADMP CCN(C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000545562087 1008658231 /nfs/dbraw/zinc/65/82/31/1008658231.db2.gz TUIXMPWDEPZKIM-VWLOTQADSA-N 2 1 420.601 3.565 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1ccco1 ZINC000519293644 1008704386 /nfs/dbraw/zinc/70/43/86/1008704386.db2.gz HMNCXNCCSATNGS-FQEVSTJZSA-N 2 1 418.969 3.747 20 0 HHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000549165705 1008737449 /nfs/dbraw/zinc/73/74/49/1008737449.db2.gz NDEZSROHKNLTCS-KNQAVFIVSA-N 2 1 402.966 3.970 20 0 HHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000549165705 1008737463 /nfs/dbraw/zinc/73/74/63/1008737463.db2.gz NDEZSROHKNLTCS-KNQAVFIVSA-N 2 1 402.966 3.970 20 0 HHADMP Cc1cc2ncn(C[C@@H](O)C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)c2cc1C ZINC000549168051 1008741476 /nfs/dbraw/zinc/74/14/76/1008741476.db2.gz ZGJZBMMFJCSMLP-WIOPSUGQSA-N 2 1 420.601 3.904 20 0 HHADMP Cc1cc2ncn(C[C@@H](O)C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)c2cc1C ZINC000549168051 1008741490 /nfs/dbraw/zinc/74/14/90/1008741490.db2.gz ZGJZBMMFJCSMLP-WIOPSUGQSA-N 2 1 420.601 3.904 20 0 HHADMP O=C(N[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000519362202 1008762450 /nfs/dbraw/zinc/76/24/50/1008762450.db2.gz WHBOSQZRDMDRLE-VWNXMTODSA-N 2 1 409.549 3.819 20 0 HHADMP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000519362202 1008762464 /nfs/dbraw/zinc/76/24/64/1008762464.db2.gz WHBOSQZRDMDRLE-VWNXMTODSA-N 2 1 409.549 3.819 20 0 HHADMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000519362202 1008762476 /nfs/dbraw/zinc/76/24/76/1008762476.db2.gz WHBOSQZRDMDRLE-VWNXMTODSA-N 2 1 409.549 3.819 20 0 HHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000549204623 1008776613 /nfs/dbraw/zinc/77/66/13/1008776613.db2.gz KWNFZMZQUVNVFM-GOTSBHOMSA-N 2 1 412.622 3.660 20 0 HHADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000549204623 1008776631 /nfs/dbraw/zinc/77/66/31/1008776631.db2.gz KWNFZMZQUVNVFM-GOTSBHOMSA-N 2 1 412.622 3.660 20 0 HHADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000549204623 1008776645 /nfs/dbraw/zinc/77/66/45/1008776645.db2.gz KWNFZMZQUVNVFM-GOTSBHOMSA-N 2 1 412.622 3.660 20 0 HHADMP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000519413605 1008794937 /nfs/dbraw/zinc/79/49/37/1008794937.db2.gz PACSTXYNQIKODP-OAQYLSRUSA-N 2 1 415.528 3.767 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000543256513 1008825255 /nfs/dbraw/zinc/82/52/55/1008825255.db2.gz GZVFGLZANHZRDQ-SFHLNBCPSA-N 2 1 400.611 3.977 20 0 HHADMP Cc1cc(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)cc(N2CCCC2)[nH+]1 ZINC000519676346 1008960165 /nfs/dbraw/zinc/96/01/65/1008960165.db2.gz LYIPOHFORFXCJX-UHFFFAOYSA-N 2 1 407.562 3.585 20 0 HHADMP Cc1cc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1Br ZINC000543458947 1009041716 /nfs/dbraw/zinc/04/17/16/1009041716.db2.gz LKDSESMVEAMZBW-CVEARBPZSA-N 2 1 408.384 3.939 20 0 HHADMP Cc1cc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1Br ZINC000543458947 1009041732 /nfs/dbraw/zinc/04/17/32/1009041732.db2.gz LKDSESMVEAMZBW-CVEARBPZSA-N 2 1 408.384 3.939 20 0 HHADMP C[C@H]([NH2+]C[C@H](O)COc1ccccc1C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543458602 1009042119 /nfs/dbraw/zinc/04/21/19/1009042119.db2.gz GYADJAKHYMLBEG-BQFCYCMXSA-N 2 1 400.485 3.688 20 0 HHADMP CCOc1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1OCC ZINC000543461551 1009048496 /nfs/dbraw/zinc/04/84/96/1009048496.db2.gz KMVBRFXOCGCNEM-MSOLQXFVSA-N 2 1 403.567 3.665 20 0 HHADMP CCOc1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1OCC ZINC000543461551 1009048514 /nfs/dbraw/zinc/04/85/14/1009048514.db2.gz KMVBRFXOCGCNEM-MSOLQXFVSA-N 2 1 403.567 3.665 20 0 HHADMP C[N@@H+](CCC(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)C1CCCCC1 ZINC000546016399 1009049591 /nfs/dbraw/zinc/04/95/91/1009049591.db2.gz HCOHFBLKTZFGAS-UHFFFAOYSA-N 2 1 422.013 3.954 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000519923864 1009079818 /nfs/dbraw/zinc/07/98/18/1009079818.db2.gz SNTKLKFZIQBPMN-FQEVSTJZSA-N 2 1 400.611 3.934 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC000519923864 1009079826 /nfs/dbraw/zinc/07/98/26/1009079826.db2.gz SNTKLKFZIQBPMN-FQEVSTJZSA-N 2 1 400.611 3.934 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC000519923864 1009079844 /nfs/dbraw/zinc/07/98/44/1009079844.db2.gz SNTKLKFZIQBPMN-FQEVSTJZSA-N 2 1 400.611 3.934 20 0 HHADMP C[N@H+]1CCN(CCC[NH2+][C@@H](c2ccccc2)c2cncnc2)[C@H](c2ccccc2)C1 ZINC000543603665 1009208538 /nfs/dbraw/zinc/20/85/38/1009208538.db2.gz JVICSMQGMSJGPA-DQEYMECFSA-N 2 1 401.558 3.534 20 0 HHADMP C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1=O ZINC000549613825 1009241453 /nfs/dbraw/zinc/24/14/53/1009241453.db2.gz QFLCRRNOSGVXQT-HTAPYJJXSA-N 2 1 410.537 3.900 20 0 HHADMP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc(OC)c1OC ZINC000543775957 1009344671 /nfs/dbraw/zinc/34/46/71/1009344671.db2.gz SJMTUURQWDAFJF-UWJYYQICSA-N 2 1 414.546 3.520 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000543812482 1009374831 /nfs/dbraw/zinc/37/48/31/1009374831.db2.gz BAQCFDXVUPIFAA-QGZVFWFLSA-N 2 1 413.525 3.898 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)cc1 ZINC000543814697 1009378157 /nfs/dbraw/zinc/37/81/57/1009378157.db2.gz NNLPVMUWNCADHL-XMSQKQJNSA-N 2 1 403.530 3.859 20 0 HHADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCc3nc(-c4ccc(Br)cc4)sc32)C1 ZINC000546574113 1009596759 /nfs/dbraw/zinc/59/67/59/1009596759.db2.gz YRCVWCCRVZTMFC-BEFAXECRSA-N 2 1 422.392 3.606 20 0 HHADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCc3nc(-c4ccc(Br)cc4)sc32)C1 ZINC000546574113 1009596782 /nfs/dbraw/zinc/59/67/82/1009596782.db2.gz YRCVWCCRVZTMFC-BEFAXECRSA-N 2 1 422.392 3.606 20 0 HHADMP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000543996863 1009596883 /nfs/dbraw/zinc/59/68/83/1009596883.db2.gz QNTNWYYOYNHPCP-FGTMMUONSA-N 2 1 400.567 3.605 20 0 HHADMP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000543996863 1009596897 /nfs/dbraw/zinc/59/68/97/1009596897.db2.gz QNTNWYYOYNHPCP-FGTMMUONSA-N 2 1 400.567 3.605 20 0 HHADMP C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000543998238 1009598899 /nfs/dbraw/zinc/59/88/99/1009598899.db2.gz PDUWOMXHFMVCAC-ZWKOTPCHSA-N 2 1 400.567 3.606 20 0 HHADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)CC3 ZINC000546603920 1009624897 /nfs/dbraw/zinc/62/48/97/1009624897.db2.gz PGORSYSKRWCZKZ-FQEVSTJZSA-N 2 1 405.542 3.656 20 0 HHADMP C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC000550186158 1009760978 /nfs/dbraw/zinc/76/09/78/1009760978.db2.gz BQXBTSKRSYHFTE-OAHLLOKOSA-N 2 1 409.465 3.539 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC000550186158 1009760993 /nfs/dbraw/zinc/76/09/93/1009760993.db2.gz BQXBTSKRSYHFTE-OAHLLOKOSA-N 2 1 409.465 3.539 20 0 HHADMP Cc1ccc2nc(C[NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CC34CCOCC4)cn2c1 ZINC000550269630 1009820438 /nfs/dbraw/zinc/82/04/38/1009820438.db2.gz LRQJWRHMSLNBKR-JOCHJYFZSA-N 2 1 404.558 3.661 20 0 HHADMP Cc1ccc2nc(C[NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CC34CCOCC4)cn2c1 ZINC000550269630 1009820452 /nfs/dbraw/zinc/82/04/52/1009820452.db2.gz LRQJWRHMSLNBKR-JOCHJYFZSA-N 2 1 404.558 3.661 20 0 HHADMP c1ccc(C[N@@H+]2CCO[C@H](c3nc(-c4ccc(C[NH+]5CCCC5)cc4)no3)C2)cc1 ZINC000546944455 1009901756 /nfs/dbraw/zinc/90/17/56/1009901756.db2.gz XHSWXGNUYAGEAF-QFIPXVFZSA-N 2 1 404.514 3.906 20 0 HHADMP c1ccc(C[N@H+]2CCO[C@H](c3nc(-c4ccc(C[NH+]5CCCC5)cc4)no3)C2)cc1 ZINC000546944455 1009901764 /nfs/dbraw/zinc/90/17/64/1009901764.db2.gz XHSWXGNUYAGEAF-QFIPXVFZSA-N 2 1 404.514 3.906 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000544332650 1009956678 /nfs/dbraw/zinc/95/66/78/1009956678.db2.gz UUWNGOANWNGUPG-FYYLOGMGSA-N 2 1 400.611 3.805 20 0 HHADMP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](c3ccc(F)cc3)c3cccnc3)cn2)CC1 ZINC000544366873 1009994628 /nfs/dbraw/zinc/99/46/28/1009994628.db2.gz ZFYPQWOSMPZPRB-XMMPIXPASA-N 2 1 405.521 3.637 20 0 HHADMP CC1(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000544374360 1010001540 /nfs/dbraw/zinc/00/15/40/1010001540.db2.gz KCEUTPICDUGRAA-UHFFFAOYSA-N 2 1 405.586 3.853 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ncc(Br)cc1Br ZINC000544406921 1010026767 /nfs/dbraw/zinc/02/67/67/1010026767.db2.gz SICCKBUFPCEUJF-SNVBAGLBSA-N 2 1 402.134 3.537 20 0 HHADMP Cc1cnc([C@@H]([NH2+][C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C2CC2)s1 ZINC000544421177 1010040560 /nfs/dbraw/zinc/04/05/60/1010040560.db2.gz ITMYQEOSOVVSFD-UTKZUKDTSA-N 2 1 412.603 3.662 20 0 HHADMP C[C@@H]([NH2+]CC(=O)NCC1(c2ccc(F)cc2)CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544421835 1010041347 /nfs/dbraw/zinc/04/13/47/1010041347.db2.gz YCUMSILOSVYRON-WOJBJXKFSA-N 2 1 415.597 3.996 20 0 HHADMP C[C@@H]([NH2+]CC(=O)NCC1(c2ccc(F)cc2)CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544421835 1010041367 /nfs/dbraw/zinc/04/13/67/1010041367.db2.gz YCUMSILOSVYRON-WOJBJXKFSA-N 2 1 415.597 3.996 20 0 HHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2Br)C[C@@H]1c1ccccc1 ZINC000550700187 1010110514 /nfs/dbraw/zinc/11/05/14/1010110514.db2.gz TYRYOGYELLILPZ-NLWGTHIKSA-N 2 1 419.363 3.614 20 0 HHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2Br)C[C@@H]1c1ccccc1 ZINC000550700187 1010110525 /nfs/dbraw/zinc/11/05/25/1010110525.db2.gz TYRYOGYELLILPZ-NLWGTHIKSA-N 2 1 419.363 3.614 20 0 HHADMP CC[N@H+](Cc1ccc(C(=O)NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1)C1CC1 ZINC000521155162 1010182878 /nfs/dbraw/zinc/18/28/78/1010182878.db2.gz RMPYTPZMCAXTOH-UHFFFAOYSA-N 2 1 424.589 3.918 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1)C1CC1 ZINC000521155162 1010182894 /nfs/dbraw/zinc/18/28/94/1010182894.db2.gz RMPYTPZMCAXTOH-UHFFFAOYSA-N 2 1 424.589 3.918 20 0 HHADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc2[nH]c(-c3cccs3)nc21 ZINC000544686031 1010299140 /nfs/dbraw/zinc/29/91/40/1010299140.db2.gz PPGOVXNVGKJPME-UHFFFAOYSA-N 2 1 413.591 3.637 20 0 HHADMP CCCOc1cc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)ccc1OC ZINC000521332496 1010311649 /nfs/dbraw/zinc/31/16/49/1010311649.db2.gz GNELZNKERHDATF-IBGZPJMESA-N 2 1 403.592 3.624 20 0 HHADMP COc1ccccc1CC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000551029608 1010327028 /nfs/dbraw/zinc/32/70/28/1010327028.db2.gz LTFMXIHKENIOPK-DNQXCXABSA-N 2 1 421.585 3.654 20 0 HHADMP COc1ccccc1CC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000551029608 1010327038 /nfs/dbraw/zinc/32/70/38/1010327038.db2.gz LTFMXIHKENIOPK-DNQXCXABSA-N 2 1 421.585 3.654 20 0 HHADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000521359089 1010331659 /nfs/dbraw/zinc/33/16/59/1010331659.db2.gz SGPPSSBWQMSEFF-IBGZPJMESA-N 2 1 409.599 3.929 20 0 HHADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000521359089 1010331670 /nfs/dbraw/zinc/33/16/70/1010331670.db2.gz SGPPSSBWQMSEFF-IBGZPJMESA-N 2 1 409.599 3.929 20 0 HHADMP C[C@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547508238 1010333360 /nfs/dbraw/zinc/33/33/60/1010333360.db2.gz DOGLONPTPQVJMI-AVCGJXAMSA-N 2 1 419.548 3.899 20 0 HHADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547511430 1010334238 /nfs/dbraw/zinc/33/42/38/1010334238.db2.gz FUJKBGHDXLUKQY-PMVMPFDFSA-N 2 1 412.647 3.537 20 0 HHADMP C[C@H]([NH2+]C1CCC(C(=O)N2CCSCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547827431 1010441646 /nfs/dbraw/zinc/44/16/46/1010441646.db2.gz PNYDWLULYYUMEQ-XXDDBKGRSA-N 2 1 415.647 3.621 20 0 HHADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000551267113 1010483809 /nfs/dbraw/zinc/48/38/09/1010483809.db2.gz LFHONFHOWSXCCL-OSFYOIPJSA-N 2 1 415.603 3.689 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155803 1010547761 /nfs/dbraw/zinc/54/77/61/1010547761.db2.gz FPTKCINGKTWORH-XLGIIRLISA-N 2 1 407.602 3.908 20 0 HHADMP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483056 1010641739 /nfs/dbraw/zinc/64/17/39/1010641739.db2.gz QWSHSUZUJOENSG-UNMCSNQZSA-N 2 1 407.606 3.935 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccn(Cc3ccccc3)n2)CC1 ZINC000551581839 1010675682 /nfs/dbraw/zinc/67/56/82/1010675682.db2.gz UFYAZXBOSHXSGO-UHFFFAOYSA-N 2 1 403.574 3.753 20 0 HHADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)CC3 ZINC000545192018 1010679056 /nfs/dbraw/zinc/67/90/56/1010679056.db2.gz VAXFUJWEOSISOW-LEWJYISDSA-N 2 1 419.569 3.780 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000545247150 1010702283 /nfs/dbraw/zinc/70/22/83/1010702283.db2.gz JAHQRTACOOXFLU-DLBZAZTESA-N 2 1 402.498 3.906 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000545302519 1010722155 /nfs/dbraw/zinc/72/21/55/1010722155.db2.gz AVRZOAISEORVBO-SBHAEUEKSA-N 2 1 405.542 3.561 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000545302520 1010722446 /nfs/dbraw/zinc/72/24/46/1010722446.db2.gz AVRZOAISEORVBO-SFHLNBCPSA-N 2 1 405.542 3.561 20 0 HHADMP Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000522277650 1010900528 /nfs/dbraw/zinc/90/05/28/1010900528.db2.gz SHUHSXYKKXLZPX-VXKWHMMOSA-N 2 1 410.562 3.689 20 0 HHADMP CCCN(C(=O)NC[C@@H]1CC[NH+](CCC)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000522433683 1011009498 /nfs/dbraw/zinc/00/94/98/1011009498.db2.gz CRHMHDWCOHYXGD-GOTSBHOMSA-N 2 1 400.611 3.805 20 0 HHADMP CCCN(C(=O)NC[C@@H]1CC[N@H+](CCC)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000522433683 1011009505 /nfs/dbraw/zinc/00/95/05/1011009505.db2.gz CRHMHDWCOHYXGD-GOTSBHOMSA-N 2 1 400.611 3.805 20 0 HHADMP CCCN(C(=O)NC[C@@H]1CC[N@@H+](CCC)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000522433683 1011009510 /nfs/dbraw/zinc/00/95/10/1011009510.db2.gz CRHMHDWCOHYXGD-GOTSBHOMSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000522596925 1011100533 /nfs/dbraw/zinc/10/05/33/1011100533.db2.gz OCCLRVSWOMYAHR-JSXRDJHFSA-N 2 1 400.611 3.878 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000522631457 1011124593 /nfs/dbraw/zinc/12/45/93/1011124593.db2.gz PKUWFMZZPUOSET-AQNXPRMDSA-N 2 1 406.640 3.627 20 0 HHADMP CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000522836685 1011274424 /nfs/dbraw/zinc/27/44/24/1011274424.db2.gz PABSFBNXPRBGNP-FQEVSTJZSA-N 2 1 424.589 3.976 20 0 HHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000540667001 1011321785 /nfs/dbraw/zinc/32/17/85/1011321785.db2.gz IDYJVAIZTIPDFT-LJQANCHMSA-N 2 1 408.468 3.723 20 0 HHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000540667001 1011321795 /nfs/dbraw/zinc/32/17/95/1011321795.db2.gz IDYJVAIZTIPDFT-LJQANCHMSA-N 2 1 408.468 3.723 20 0 HHADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCC[C@@H]3c3ccc(C(F)(F)F)cc3)cn2)CC1 ZINC000540732835 1011383710 /nfs/dbraw/zinc/38/37/10/1011383710.db2.gz FPLCSYKBXBLSGC-UXHICEINSA-N 2 1 419.495 3.673 20 0 HHADMP O=C(C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523008179 1011464448 /nfs/dbraw/zinc/46/44/48/1011464448.db2.gz KDJYZCVWHNKTLS-QHCPKHFHSA-N 2 1 409.549 3.602 20 0 HHADMP c1ccc(C[N@@H+]2CCC[C@@H]2c2nc(-c3ccc(CN4CCOCC4)cc3)no2)cc1 ZINC000536302011 1011490781 /nfs/dbraw/zinc/49/07/81/1011490781.db2.gz JLFJJJJIZYTIJR-JOCHJYFZSA-N 2 1 404.514 3.906 20 0 HHADMP C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000536357265 1011565548 /nfs/dbraw/zinc/56/55/48/1011565548.db2.gz YMSYRVJKYISFIC-QHAWAJNXSA-N 2 1 404.986 3.745 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000536357265 1011565561 /nfs/dbraw/zinc/56/55/61/1011565561.db2.gz YMSYRVJKYISFIC-QHAWAJNXSA-N 2 1 404.986 3.745 20 0 HHADMP CC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(C[NH+](C[C@H]3CCCCO3)C(C)C)cc2)C1 ZINC000541032910 1011667199 /nfs/dbraw/zinc/66/71/99/1011667199.db2.gz CVBGOLKZCACYAL-FYYLOGMGSA-N 2 1 416.610 3.929 20 0 HHADMP CC[NH+]1CC[C@H](CNC(=O)Nc2ccc(C[N@H+](C[C@H]3CCCCO3)C(C)C)cc2)C1 ZINC000541032910 1011667205 /nfs/dbraw/zinc/66/72/05/1011667205.db2.gz CVBGOLKZCACYAL-FYYLOGMGSA-N 2 1 416.610 3.929 20 0 HHADMP CC[NH+]1CC[C@H](CNC(=O)Nc2ccc(C[N@@H+](C[C@H]3CCCCO3)C(C)C)cc2)C1 ZINC000541032910 1011667209 /nfs/dbraw/zinc/66/72/09/1011667209.db2.gz CVBGOLKZCACYAL-FYYLOGMGSA-N 2 1 416.610 3.929 20 0 HHADMP Cc1nccn1C[C@@H](C)CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536482157 1011694211 /nfs/dbraw/zinc/69/42/11/1011694211.db2.gz OLDIAZOUNBSQQZ-FQEVSTJZSA-N 2 1 409.578 3.525 20 0 HHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536482157 1011694216 /nfs/dbraw/zinc/69/42/16/1011694216.db2.gz OLDIAZOUNBSQQZ-FQEVSTJZSA-N 2 1 409.578 3.525 20 0 HHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536482157 1011694222 /nfs/dbraw/zinc/69/42/22/1011694222.db2.gz OLDIAZOUNBSQQZ-FQEVSTJZSA-N 2 1 409.578 3.525 20 0 HHADMP O=c1[nH]c(CC[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nc2ccccc21 ZINC000536486610 1011699686 /nfs/dbraw/zinc/69/96/86/1011699686.db2.gz ULSNOXMTZCCWNF-UHFFFAOYSA-N 2 1 402.542 3.866 20 0 HHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cn(-c4ccccc4)nc3C(C)(C)C)C2)CC1 ZINC000536663432 1011813227 /nfs/dbraw/zinc/81/32/27/1011813227.db2.gz KLYSGGLPSNEYPF-HSZRJFAPSA-N 2 1 409.622 3.770 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cnc(-c4ccccn4)s3)CC2)CC1 ZINC000536664566 1011814295 /nfs/dbraw/zinc/81/42/95/1011814295.db2.gz PWALBDLHYDQMMW-UHFFFAOYSA-N 2 1 413.635 3.833 20 0 HHADMP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000523340567 1011819390 /nfs/dbraw/zinc/81/93/90/1011819390.db2.gz KPGCDWYDXDUBBC-NRFANRHFSA-N 2 1 414.981 3.537 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1)Cc1ccccc1 ZINC000536678152 1011839461 /nfs/dbraw/zinc/83/94/61/1011839461.db2.gz DEXOYPPUYIMHQV-UHFFFAOYSA-N 2 1 405.995 3.862 20 0 HHADMP CC1(C)CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000536767941 1011969057 /nfs/dbraw/zinc/96/90/57/1011969057.db2.gz MECOSVLFMJNXGI-UHFFFAOYSA-N 2 1 421.589 3.604 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccc4c(c3)OCCO4)CCCC2)[C@H](C)C1 ZINC000536806275 1012028363 /nfs/dbraw/zinc/02/83/63/1012028363.db2.gz KYNDYVPLQXVCKL-IFMALSPDSA-N 2 1 416.606 3.996 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)NCC[N@@H+](C)Cc1ccccc1)[NH+]1CCCCC1 ZINC000523523366 1012049718 /nfs/dbraw/zinc/04/97/18/1012049718.db2.gz JYNDRIVCKUCYGE-QHCPKHFHSA-N 2 1 424.589 3.653 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)C1 ZINC000536839919 1012069865 /nfs/dbraw/zinc/06/98/65/1012069865.db2.gz QUOQWBFKILQIPU-HKBOAZHASA-N 2 1 411.590 3.942 20 0 HHADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000536855736 1012088311 /nfs/dbraw/zinc/08/83/11/1012088311.db2.gz CBYFVRBJZJXBOH-QRVBRYPASA-N 2 1 410.002 3.556 20 0 HHADMP COc1sc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1Br ZINC000552077342 1012094870 /nfs/dbraw/zinc/09/48/70/1012094870.db2.gz GZJSDNOTKRVIGF-UHFFFAOYSA-N 2 1 403.386 3.596 20 0 HHADMP COCC[NH+]1CCC([NH2+]Cc2cccc(Oc3cc(OC)cc(OC)c3)c2)CC1 ZINC000552087734 1012100960 /nfs/dbraw/zinc/10/09/60/1012100960.db2.gz PLAOKWOMYUAKHT-UHFFFAOYSA-N 2 1 400.519 3.697 20 0 HHADMP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(F)cc1Br ZINC000536864549 1012101240 /nfs/dbraw/zinc/10/12/40/1012101240.db2.gz UAZMFFXJQDANER-AWEZNQCLSA-N 2 1 422.342 3.730 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000552101301 1012119088 /nfs/dbraw/zinc/11/90/88/1012119088.db2.gz LFYDMHKQBMDTHI-ZWKOTPCHSA-N 2 1 403.533 3.620 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)[C@H](C)C1 ZINC000536876585 1012120842 /nfs/dbraw/zinc/12/08/42/1012120842.db2.gz OJVMHXZGABHPLC-OFNKIYASSA-N 2 1 401.595 3.539 20 0 HHADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)Nc2ccc3c(c2)OCO3)CC1)CC(C)C ZINC000536885478 1012134890 /nfs/dbraw/zinc/13/48/90/1012134890.db2.gz LNGQJBCBTXKTHI-UHFFFAOYSA-N 2 1 403.567 3.824 20 0 HHADMP COC(=O)c1csc([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000552223260 1012236365 /nfs/dbraw/zinc/23/63/65/1012236365.db2.gz KEWYEEABOKXBDF-YLJYHZDGSA-N 2 1 401.576 3.564 20 0 HHADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000536948222 1012249371 /nfs/dbraw/zinc/24/93/71/1012249371.db2.gz KZJJRZACQXSHME-GOSISDBHSA-N 2 1 415.965 3.722 20 0 HHADMP COc1cccc(N2C[C@H]([NH2+]C3CCC([N@@H+](C)Cc4ccccc4)CC3)CC2=O)c1 ZINC000552247319 1012258876 /nfs/dbraw/zinc/25/88/76/1012258876.db2.gz KLYBCPGYRNSYMW-ATKRNPRHSA-N 2 1 407.558 3.833 20 0 HHADMP CS[C@H](CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000541486336 1012259807 /nfs/dbraw/zinc/25/98/07/1012259807.db2.gz QENLUBVVOAQWIX-HXUWFJFHSA-N 2 1 412.688 3.602 20 0 HHADMP CN(CCC[N@H+](C)Cc1ccncc1)C(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000552359856 1012368449 /nfs/dbraw/zinc/36/84/49/1012368449.db2.gz XNXDWYDBFDRQBQ-QHCPKHFHSA-N 2 1 412.553 3.556 20 0 HHADMP CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000552359856 1012368462 /nfs/dbraw/zinc/36/84/62/1012368462.db2.gz XNXDWYDBFDRQBQ-QHCPKHFHSA-N 2 1 412.553 3.556 20 0 HHADMP CN(CCC[NH+](C)Cc1ccncc1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000552359856 1012368474 /nfs/dbraw/zinc/36/84/74/1012368474.db2.gz XNXDWYDBFDRQBQ-QHCPKHFHSA-N 2 1 412.553 3.556 20 0 HHADMP CN(CCC[NH+](C)Cc1ccncc1)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000552359856 1012368482 /nfs/dbraw/zinc/36/84/82/1012368482.db2.gz XNXDWYDBFDRQBQ-QHCPKHFHSA-N 2 1 412.553 3.556 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)c1ccsc1 ZINC000523813191 1012489986 /nfs/dbraw/zinc/48/99/86/1012489986.db2.gz KEQPOHQZEPTRNW-JOCHJYFZSA-N 2 1 414.619 3.701 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)cc1F ZINC000552495131 1012518361 /nfs/dbraw/zinc/51/83/61/1012518361.db2.gz QICASOVJICBPHE-HYBUGGRVSA-N 2 1 409.505 3.865 20 0 HHADMP CC(C)[N@H+](Cc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1)C[C@H]1CCCCO1 ZINC000537146278 1012540746 /nfs/dbraw/zinc/54/07/46/1012540746.db2.gz ZNPOTFBRQQWHJX-JOCHJYFZSA-N 2 1 402.583 3.682 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCCOc2ccc(Cl)cc2)cc1 ZINC000537160417 1012558487 /nfs/dbraw/zinc/55/84/87/1012558487.db2.gz QDQZHOKMTSVVEN-INIZCTEOSA-N 2 1 412.921 3.680 20 0 HHADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000541812108 1012697727 /nfs/dbraw/zinc/69/77/27/1012697727.db2.gz CFFWYRLTSDVQFI-FAKFISEUSA-N 2 1 400.611 3.515 20 0 HHADMP CN1CCN([C@H](C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c2cccs2)CC1 ZINC000541882372 1012752361 /nfs/dbraw/zinc/75/23/61/1012752361.db2.gz HTNBJIMANIEAPL-CJRSTVEYSA-N 2 1 424.658 3.537 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000541915048 1012773051 /nfs/dbraw/zinc/77/30/51/1012773051.db2.gz WDWZPEPKNKLPSQ-DYESRHJHSA-N 2 1 407.558 3.724 20 0 HHADMP CC(C)[N@H+](Cc1ccc(NC(=O)NCC2CC[NH+](C)CC2)cc1)C[C@@H]1CCCCO1 ZINC000541961708 1012823384 /nfs/dbraw/zinc/82/33/84/1012823384.db2.gz CWWBXNPUHLDLEK-QHCPKHFHSA-N 2 1 416.610 3.929 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](C[C@H]2CCc3ccccc3C2)CC1)Cc1ccccc1 ZINC000541985058 1012861148 /nfs/dbraw/zinc/86/11/48/1012861148.db2.gz VUAXFXAEEMVMCC-QHCPKHFHSA-N 2 1 419.613 3.752 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000524169990 1012963137 /nfs/dbraw/zinc/96/31/37/1012963137.db2.gz ONFNXRKRZGMZKZ-HSZRJFAPSA-N 2 1 424.589 3.970 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000524169991 1012963650 /nfs/dbraw/zinc/96/36/50/1012963650.db2.gz ONFNXRKRZGMZKZ-QHCPKHFHSA-N 2 1 424.589 3.970 20 0 HHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3cccc(OC(F)F)c3)CC2)CC1 ZINC000552998326 1012973595 /nfs/dbraw/zinc/97/35/95/1012973595.db2.gz ANZWFFYZXAPFBW-INIZCTEOSA-N 2 1 409.521 3.662 20 0 HHADMP O=C(C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000615098570 1072144684 /nfs/dbraw/zinc/14/46/84/1072144684.db2.gz FCPGOCFMDCMSDQ-DEOSSOPVSA-N 2 1 409.549 3.745 20 0 HHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cccc(I)c2)no1 ZINC001212142398 1072232242 /nfs/dbraw/zinc/23/22/42/1072232242.db2.gz KJBKICOFBBEVLC-AWEZNQCLSA-N 2 1 414.291 3.509 20 0 HHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000586855804 1072477213 /nfs/dbraw/zinc/47/72/13/1072477213.db2.gz RSVLONAAAHZNHM-FQEVSTJZSA-N 2 1 400.611 3.708 20 0 HHADMP CCC[N@@H+]([C@H](C)C(=O)Nc1c(C)csc1C(=O)OC)C1CCC([NH+](C)C)CC1 ZINC001168324794 1072503736 /nfs/dbraw/zinc/50/37/36/1072503736.db2.gz XHUYKJBJSBCLRD-KLAILNCOSA-N 2 1 409.596 3.755 20 0 HHADMP C[NH+]1CCN(c2ccc(-c3noc(-c4ccc(C[NH+]5CCCCC5)cc4)n3)cn2)CC1 ZINC000571443084 1072642667 /nfs/dbraw/zinc/64/26/67/1072642667.db2.gz YYJJDWZVTQEXKV-UHFFFAOYSA-N 2 1 418.545 3.536 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000479417592 1072815308 /nfs/dbraw/zinc/81/53/08/1072815308.db2.gz JFKWUVHBYUOHAG-HXUWFJFHSA-N 2 1 400.611 3.934 20 0 HHADMP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@@H](c3ncc[nH]3)c3cccnc3)cc2)C[C@H]1C ZINC000479404298 1072825457 /nfs/dbraw/zinc/82/54/57/1072825457.db2.gz CLKQRRKDRUBHBK-JXALWOEJSA-N 2 1 419.573 3.693 20 0 HHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H](c3ncc[nH]3)c3cccnc3)cc2)C[C@H]1C ZINC000479404298 1072825467 /nfs/dbraw/zinc/82/54/67/1072825467.db2.gz CLKQRRKDRUBHBK-JXALWOEJSA-N 2 1 419.573 3.693 20 0 HHADMP CN(C(=O)[C@H](c1ccccc1)N1CCSCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001126870022 1072858850 /nfs/dbraw/zinc/85/88/50/1072858850.db2.gz QCLIRCKUPFLHRX-ZEQRLZLVSA-N 2 1 423.626 3.900 20 0 HHADMP CCOC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001142594904 1072890231 /nfs/dbraw/zinc/89/02/31/1072890231.db2.gz DOJPFLMZKRCLCN-OEMFJLHTSA-N 2 1 407.558 3.991 20 0 HHADMP CCOC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001142594904 1072890241 /nfs/dbraw/zinc/89/02/41/1072890241.db2.gz DOJPFLMZKRCLCN-OEMFJLHTSA-N 2 1 407.558 3.991 20 0 HHADMP CCOC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001142594904 1072890254 /nfs/dbraw/zinc/89/02/54/1072890254.db2.gz DOJPFLMZKRCLCN-OEMFJLHTSA-N 2 1 407.558 3.991 20 0 HHADMP CCOC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001142594904 1072890266 /nfs/dbraw/zinc/89/02/66/1072890266.db2.gz DOJPFLMZKRCLCN-OEMFJLHTSA-N 2 1 407.558 3.991 20 0 HHADMP C[NH+](C)CCN(CC1CCCCC1)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000554919974 1072952601 /nfs/dbraw/zinc/95/26/01/1072952601.db2.gz QWJWXAOXNKDBSR-DEOSSOPVSA-N 2 1 414.638 3.705 20 0 HHADMP Cc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c(-c2cnn(C)c2)c1 ZINC000554910390 1072957398 /nfs/dbraw/zinc/95/73/98/1072957398.db2.gz IOMPFTHGGKVBOR-FQEVSTJZSA-N 2 1 404.558 3.906 20 0 HHADMP Cc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c(-c2cnn(C)c2)c1 ZINC000554910390 1072957410 /nfs/dbraw/zinc/95/74/10/1072957410.db2.gz IOMPFTHGGKVBOR-FQEVSTJZSA-N 2 1 404.558 3.906 20 0 HHADMP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588709381 1073155020 /nfs/dbraw/zinc/15/50/20/1073155020.db2.gz AKMRXPOHFKZUNG-ZSYWTGECSA-N 2 1 422.013 3.727 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1ccco1 ZINC000572192298 1073224655 /nfs/dbraw/zinc/22/46/55/1073224655.db2.gz ACIMWIVMXOOPSR-OAGGEKHMSA-N 2 1 403.489 3.688 20 0 HHADMP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H](c3ccccc3)N3CC[NH+](C)CC3)cc2)C1 ZINC000589997015 1073438887 /nfs/dbraw/zinc/43/88/87/1073438887.db2.gz ZLRRVUQNIFTOPT-BWKNWUBXSA-N 2 1 420.601 3.846 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H](c3ccccc3)N3CC[NH+](C)CC3)cc2)C1 ZINC000589997015 1073438889 /nfs/dbraw/zinc/43/88/89/1073438889.db2.gz ZLRRVUQNIFTOPT-BWKNWUBXSA-N 2 1 420.601 3.846 20 0 HHADMP O=C(c1ccccc1)N1CC[C@@H](C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000555523937 1073596847 /nfs/dbraw/zinc/59/68/47/1073596847.db2.gz AHQGKAPJMZDXMZ-JYFHCDHNSA-N 2 1 403.570 3.747 20 0 HHADMP O=C(c1ccccc1)N1CC[C@@H](C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000555523937 1073596862 /nfs/dbraw/zinc/59/68/62/1073596862.db2.gz AHQGKAPJMZDXMZ-JYFHCDHNSA-N 2 1 403.570 3.747 20 0 HHADMP O=C(c1ccccc1)N1CC[C@@H](C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000555523937 1073596871 /nfs/dbraw/zinc/59/68/71/1073596871.db2.gz AHQGKAPJMZDXMZ-JYFHCDHNSA-N 2 1 403.570 3.747 20 0 HHADMP COc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc(OC)c1 ZINC000555611967 1073675319 /nfs/dbraw/zinc/67/53/19/1073675319.db2.gz FVTWTBWSFYPWHK-JOCHJYFZSA-N 2 1 410.558 3.722 20 0 HHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000590395809 1073782752 /nfs/dbraw/zinc/78/27/52/1073782752.db2.gz HXWPNLALVCJXRR-SQJMNOBHSA-N 2 1 420.601 3.988 20 0 HHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000590395809 1073782757 /nfs/dbraw/zinc/78/27/57/1073782757.db2.gz HXWPNLALVCJXRR-SQJMNOBHSA-N 2 1 420.601 3.988 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000591092151 1074107122 /nfs/dbraw/zinc/10/71/22/1074107122.db2.gz HMXSHCSLIGSPKC-NZQKXSOJSA-N 2 1 409.574 3.973 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccccc2OCC[NH+]2CCCC[C@@H]2C)C1 ZINC000591100110 1074115955 /nfs/dbraw/zinc/11/59/55/1074115955.db2.gz LNTQWJJCZPMSAL-LEWJYISDSA-N 2 1 401.595 3.790 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000591100110 1074115956 /nfs/dbraw/zinc/11/59/56/1074115956.db2.gz LNTQWJJCZPMSAL-LEWJYISDSA-N 2 1 401.595 3.790 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000591100110 1074115960 /nfs/dbraw/zinc/11/59/60/1074115960.db2.gz LNTQWJJCZPMSAL-LEWJYISDSA-N 2 1 401.595 3.790 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001126962620 1074153700 /nfs/dbraw/zinc/15/37/00/1074153700.db2.gz ZNVNNVISDBZYJK-WIVXBSKCSA-N 2 1 405.586 3.781 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001126962620 1074153705 /nfs/dbraw/zinc/15/37/05/1074153705.db2.gz ZNVNNVISDBZYJK-WIVXBSKCSA-N 2 1 405.586 3.781 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001126962620 1074153709 /nfs/dbraw/zinc/15/37/09/1074153709.db2.gz ZNVNNVISDBZYJK-WIVXBSKCSA-N 2 1 405.586 3.781 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N(CC[NH+](C)C)CC3CCCCC3)cc2)C[C@@H](C)O1 ZINC000591153633 1074153921 /nfs/dbraw/zinc/15/39/21/1074153921.db2.gz PPONOXGROAWNHR-NHCUHLMSSA-N 2 1 415.622 3.880 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000591423563 1074284740 /nfs/dbraw/zinc/28/47/40/1074284740.db2.gz STWFERHIVONAJZ-GOSISDBHSA-N 2 1 401.595 3.979 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000591557116 1074405006 /nfs/dbraw/zinc/40/50/06/1074405006.db2.gz BHAOHBGCXHCJLH-WIYYLYMNSA-N 2 1 407.002 3.897 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2sc(N3CCOCC3)nc2-c2ccccc2)C1 ZINC000591711888 1074501512 /nfs/dbraw/zinc/50/15/12/1074501512.db2.gz BKEYFARYTQHYQL-LJQANCHMSA-N 2 1 414.619 3.857 20 0 HHADMP COc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1OCc1ccccc1 ZINC000573962126 1074743912 /nfs/dbraw/zinc/74/39/12/1074743912.db2.gz PHRDYYKEBQPOFK-UHFFFAOYSA-N 2 1 411.590 3.732 20 0 HHADMP COc1ccccc1-c1nc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cs1 ZINC000573976676 1074747664 /nfs/dbraw/zinc/74/76/64/1074747664.db2.gz IABVTVOHVTUHPD-UHFFFAOYSA-N 2 1 401.576 3.753 20 0 HHADMP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000592475298 1074763321 /nfs/dbraw/zinc/76/33/21/1074763321.db2.gz QQWHVDCIWPSEIO-LAUBAEHRSA-N 2 1 404.986 3.793 20 0 HHADMP C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000593041871 1075156708 /nfs/dbraw/zinc/15/67/08/1075156708.db2.gz KIOIGUPGNZDBRV-CQSZACIVSA-N 2 1 407.345 3.958 20 0 HHADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000594250159 1075271320 /nfs/dbraw/zinc/27/13/20/1075271320.db2.gz RSANNAYEFGOREF-HXUWFJFHSA-N 2 1 402.608 3.718 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000594966299 1075388408 /nfs/dbraw/zinc/38/84/08/1075388408.db2.gz LZLOHKLYMPSOIY-FCHUYYIVSA-N 2 1 424.614 3.631 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000594966299 1075388412 /nfs/dbraw/zinc/38/84/12/1075388412.db2.gz LZLOHKLYMPSOIY-FCHUYYIVSA-N 2 1 424.614 3.631 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000594966299 1075388417 /nfs/dbraw/zinc/38/84/17/1075388417.db2.gz LZLOHKLYMPSOIY-FCHUYYIVSA-N 2 1 424.614 3.631 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000594966299 1075388423 /nfs/dbraw/zinc/38/84/23/1075388423.db2.gz LZLOHKLYMPSOIY-FCHUYYIVSA-N 2 1 424.614 3.631 20 0 HHADMP C[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000596437815 1075561407 /nfs/dbraw/zinc/56/14/07/1075561407.db2.gz FBLIZFGSEWPWGS-MRXNPFEDSA-N 2 1 413.393 3.599 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000596437815 1075561416 /nfs/dbraw/zinc/56/14/16/1075561416.db2.gz FBLIZFGSEWPWGS-MRXNPFEDSA-N 2 1 413.393 3.599 20 0 HHADMP Clc1cc(C2CC[NH2+]CC2)nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164628644 719069463 /nfs/dbraw/zinc/06/94/63/719069463.db2.gz TUADCYWLTBTMCB-CTNGQTDRSA-N 2 1 411.981 3.698 20 0 HHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164679618 719649926 /nfs/dbraw/zinc/64/99/26/719649926.db2.gz IRRLQSDUFKBNKX-QFIPXVFZSA-N 2 1 410.610 3.690 20 0 HHADMP CCC[N@@H+]1CCCC[C@H]1c1ccc(-n2nc(C[NH+](C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164679618 719649930 /nfs/dbraw/zinc/64/99/30/719649930.db2.gz IRRLQSDUFKBNKX-QFIPXVFZSA-N 3 1 410.610 3.690 20 0 HHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(-n2nc(C[NH+](C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164679618 719649938 /nfs/dbraw/zinc/64/99/38/719649938.db2.gz IRRLQSDUFKBNKX-QFIPXVFZSA-N 3 1 410.610 3.690 20 0 HHADMP CCC[NH+]1CCCC[C@H]1c1ccc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164679618 719649944 /nfs/dbraw/zinc/64/99/44/719649944.db2.gz IRRLQSDUFKBNKX-QFIPXVFZSA-N 3 1 410.610 3.690 20 0 HHADMP CCC[NH+]1CCCC[C@H]1c1ccc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164679618 719649955 /nfs/dbraw/zinc/64/99/55/719649955.db2.gz IRRLQSDUFKBNKX-QFIPXVFZSA-N 3 1 410.610 3.690 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N3CCCC3)cc[nH+]1)CC2 ZINC001164839880 720701903 /nfs/dbraw/zinc/70/19/03/720701903.db2.gz CLTIHWKDYKBNBP-QHCPKHFHSA-N 2 1 406.574 3.942 20 0 HHADMP Cc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]c1C ZINC001164758793 720883969 /nfs/dbraw/zinc/88/39/69/720883969.db2.gz ZNUSIESFCOCMHW-ILBGXUMGSA-N 2 1 406.574 3.849 20 0 HHADMP Cc1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]c1C ZINC001164758793 720883971 /nfs/dbraw/zinc/88/39/71/720883971.db2.gz ZNUSIESFCOCMHW-ILBGXUMGSA-N 2 1 406.574 3.849 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(N3CCCC3)cc[nH+]1)C2 ZINC001164909552 721758376 /nfs/dbraw/zinc/75/83/76/721758376.db2.gz HQPCHMPEPXOJTA-UHFFFAOYSA-N 2 1 403.530 3.865 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(N3CCCC3)cc[nH+]1)C2 ZINC001164909552 721758380 /nfs/dbraw/zinc/75/83/80/721758380.db2.gz HQPCHMPEPXOJTA-UHFFFAOYSA-N 2 1 403.530 3.865 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(Cl)nc3c1CC[NH2+]C3)C2 ZINC001164909008 721759660 /nfs/dbraw/zinc/75/96/60/721759660.db2.gz BYQGAYVEUIYISV-UHFFFAOYSA-N 2 1 423.948 3.563 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(Cl)nc3c1CC[NH2+]C3)C2 ZINC001164909008 721759663 /nfs/dbraw/zinc/75/96/63/721759663.db2.gz BYQGAYVEUIYISV-UHFFFAOYSA-N 2 1 423.948 3.563 20 0 HHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc[nH+]c(N4CCCCC4)n3)C[C@@H]21 ZINC001165026366 721823213 /nfs/dbraw/zinc/82/32/13/721823213.db2.gz PDLHENSVVKKMAD-ILWGZMRPSA-N 2 1 406.578 3.599 20 0 HHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc[nH+]c(N4CCCCC4)n3)C[C@@H]21 ZINC001165026366 721823215 /nfs/dbraw/zinc/82/32/15/721823215.db2.gz PDLHENSVVKKMAD-ILWGZMRPSA-N 2 1 406.578 3.599 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000303164424 971537555 /nfs/dbraw/zinc/53/75/55/971537555.db2.gz FRVZLOQCUUNFTR-VXKWHMMOSA-N 2 1 412.622 3.731 20 0 HHADMP C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000303172056 971541330 /nfs/dbraw/zinc/54/13/30/971541330.db2.gz VUVWDWCFUVKEMS-RXVVDRJESA-N 2 1 411.512 3.679 20 0 HHADMP C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000303172054 971541367 /nfs/dbraw/zinc/54/13/67/971541367.db2.gz VUVWDWCFUVKEMS-GHTZIAJQSA-N 2 1 411.512 3.679 20 0 HHADMP C[C@@H](CNC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[NH+](C)C1CC1 ZINC000303277206 971593365 /nfs/dbraw/zinc/59/33/65/971593365.db2.gz SRPYIYRNESZICS-LAUBAEHRSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@@H](CNC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[NH+](C)C1CC1 ZINC000303277206 971593371 /nfs/dbraw/zinc/59/33/71/971593371.db2.gz SRPYIYRNESZICS-LAUBAEHRSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)[N@H+](C)C1CC1 ZINC000303277206 971593378 /nfs/dbraw/zinc/59/33/78/971593378.db2.gz SRPYIYRNESZICS-LAUBAEHRSA-N 2 1 412.603 3.629 20 0 HHADMP C[C@@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)[N@@H+](C)C1CC1 ZINC000303277206 971593385 /nfs/dbraw/zinc/59/33/85/971593385.db2.gz SRPYIYRNESZICS-LAUBAEHRSA-N 2 1 412.603 3.629 20 0 HHADMP CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000524300483 1013112212 /nfs/dbraw/zinc/11/22/12/1013112212.db2.gz RVFRQGIXOIVZNB-LPHOPBHVSA-N 2 1 400.394 3.860 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)[NH+]1CCCC1 ZINC000303491489 971789433 /nfs/dbraw/zinc/78/94/33/971789433.db2.gz SFYRPTSGAWBIQZ-REWPJTCUSA-N 2 1 424.589 3.652 20 0 HHADMP COc1ccc([C@H](CNC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000303520126 971821250 /nfs/dbraw/zinc/82/12/50/971821250.db2.gz YVVZSEKSURFMEE-RDPSFJRHSA-N 2 1 424.589 3.652 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000303651611 971931141 /nfs/dbraw/zinc/93/11/41/971931141.db2.gz KOMXJPWYXBHNNH-HBMCJLEFSA-N 2 1 400.611 3.879 20 0 HHADMP C[C@H](C(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000303735844 971988700 /nfs/dbraw/zinc/98/87/00/971988700.db2.gz GMJPQYDUSLGUKG-DNRQZRRGSA-N 2 1 405.586 3.945 20 0 HHADMP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000303735844 971988702 /nfs/dbraw/zinc/98/87/02/971988702.db2.gz GMJPQYDUSLGUKG-DNRQZRRGSA-N 2 1 405.586 3.945 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000303777329 972021837 /nfs/dbraw/zinc/02/18/37/972021837.db2.gz CKKJCESCMOJDAP-LJQANCHMSA-N 2 1 412.553 3.693 20 0 HHADMP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000542185554 1013125959 /nfs/dbraw/zinc/12/59/59/1013125959.db2.gz MBEKXMXJHFPETN-CNNODRBYSA-N 2 1 423.557 3.691 20 0 HHADMP C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000537620693 1013165515 /nfs/dbraw/zinc/16/55/15/1013165515.db2.gz VDPYTIQZAALUCX-OXJNMPFZSA-N 2 1 419.495 3.830 20 0 HHADMP C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000537620693 1013165528 /nfs/dbraw/zinc/16/55/28/1013165528.db2.gz VDPYTIQZAALUCX-OXJNMPFZSA-N 2 1 419.495 3.830 20 0 HHADMP C[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537628046 1013179444 /nfs/dbraw/zinc/17/94/44/1013179444.db2.gz BYJMWXAVGQGWMB-FQEVSTJZSA-N 2 1 418.541 3.802 20 0 HHADMP C[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537628046 1013179459 /nfs/dbraw/zinc/17/94/59/1013179459.db2.gz BYJMWXAVGQGWMB-FQEVSTJZSA-N 2 1 418.541 3.802 20 0 HHADMP C[NH+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537628046 1013179471 /nfs/dbraw/zinc/17/94/71/1013179471.db2.gz BYJMWXAVGQGWMB-FQEVSTJZSA-N 2 1 418.541 3.802 20 0 HHADMP C[NH+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537628046 1013179485 /nfs/dbraw/zinc/17/94/85/1013179485.db2.gz BYJMWXAVGQGWMB-FQEVSTJZSA-N 2 1 418.541 3.802 20 0 HHADMP C[C@H](CC[NH+](C)C)NC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000542251527 1013211311 /nfs/dbraw/zinc/21/13/11/1013211311.db2.gz CXFAMEBAFFEJBA-CQSZACIVSA-N 2 1 401.382 3.597 20 0 HHADMP C[NH+]1CCCC12CCN(Cc1cccc(CN3CCC4(CCC[N@@H+]4C)CC3)c1)CC2 ZINC000542260291 1013220165 /nfs/dbraw/zinc/22/01/65/1013220165.db2.gz XIRKZKVOHZJUGM-UHFFFAOYSA-N 2 1 410.650 3.807 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cnn(-c4ccc(F)cc4)c3)CC2)C[C@H](C)O1 ZINC000537660762 1013221484 /nfs/dbraw/zinc/22/14/84/1013221484.db2.gz GPQDMTPKOWGLNV-KDURUIRLSA-N 2 1 400.542 3.723 20 0 HHADMP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc(C)c1OCc1ccccn1 ZINC000537661916 1013222883 /nfs/dbraw/zinc/22/28/83/1013222883.db2.gz VYBKSFSLAXNFRQ-RUZDIDTESA-N 2 1 422.617 3.878 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@@H](C)c3ccccc3Cl)cc2)CC1 ZINC000015481912 962771393 /nfs/dbraw/zinc/77/13/93/962771393.db2.gz JNKWPADUPSCDJT-KRWDZBQOSA-N 2 1 400.954 3.771 20 0 HHADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[N@H+](Cc3ccccc3)C3(CCCCC3)C1)CC2 ZINC000553493299 1013396928 /nfs/dbraw/zinc/39/69/28/1013396928.db2.gz ZNTLUEQSYCSMGY-JOCHJYFZSA-N 2 1 406.574 3.801 20 0 HHADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C1)CC2 ZINC000553493299 1013396939 /nfs/dbraw/zinc/39/69/39/1013396939.db2.gz ZNTLUEQSYCSMGY-JOCHJYFZSA-N 2 1 406.574 3.801 20 0 HHADMP COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537844483 1013407431 /nfs/dbraw/zinc/40/74/31/1013407431.db2.gz IZYXFHXWXMMXJW-UHFFFAOYSA-N 2 1 416.953 3.921 20 0 HHADMP Fc1ccc([C@@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c2cnccn2)cc1 ZINC000542473523 1013420931 /nfs/dbraw/zinc/42/09/31/1013420931.db2.gz KUZBGBOKYUVJJX-RUZDIDTESA-N 2 1 419.548 3.897 20 0 HHADMP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000542487738 1013434271 /nfs/dbraw/zinc/43/42/71/1013434271.db2.gz RUYLPLYENUWQNJ-VQTJNVASSA-N 2 1 407.624 3.776 20 0 HHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc4c(c3)nc(C3CC3)n4C)CC2)CC1 ZINC000553544478 1013440557 /nfs/dbraw/zinc/44/05/57/1013440557.db2.gz LQIBGIRHJZKDGW-UHFFFAOYSA-N 2 1 409.578 3.586 20 0 HHADMP COc1cc2c(cc1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)O[C@@H](C)C2 ZINC000048816718 964065111 /nfs/dbraw/zinc/06/51/11/964065111.db2.gz YEUGIYZAUICFLG-GBESFXJTSA-N 2 1 410.558 3.918 20 0 HHADMP C[C@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542531468 1013474068 /nfs/dbraw/zinc/47/40/68/1013474068.db2.gz KXYDJSZBGFJPMF-UXLLHSPISA-N 2 1 401.378 3.976 20 0 HHADMP C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542534029 1013478110 /nfs/dbraw/zinc/47/81/10/1013478110.db2.gz ZJVMAOMNKWPWGM-HZPDHXFCSA-N 2 1 421.969 3.682 20 0 HHADMP C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542534029 1013478113 /nfs/dbraw/zinc/47/81/13/1013478113.db2.gz ZJVMAOMNKWPWGM-HZPDHXFCSA-N 2 1 421.969 3.682 20 0 HHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCC(CCC[NH+](C)C)CC4)nc(N)c23)C1 ZINC000537897306 1013481152 /nfs/dbraw/zinc/48/11/52/1013481152.db2.gz UUTMHJVTIDKBAN-OAHLLOKOSA-N 2 1 401.624 3.952 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000050136927 964274327 /nfs/dbraw/zinc/27/43/27/964274327.db2.gz UXIHIVSWHVCJIX-IBGZPJMESA-N 2 1 418.607 3.635 20 0 HHADMP C[C@@H]1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000537897891 1013481928 /nfs/dbraw/zinc/48/19/28/1013481928.db2.gz VKSHNGWVNRNTGG-OAQYLSRUSA-N 2 1 421.589 3.604 20 0 HHADMP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000026174466 964475118 /nfs/dbraw/zinc/47/51/18/964475118.db2.gz OFYXGKIVRYSADO-OAQYLSRUSA-N 2 1 420.601 3.919 20 0 HHADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nc(-c3ccc(OC)cc3OC)no2)CC1 ZINC000052209783 964840666 /nfs/dbraw/zinc/84/06/66/964840666.db2.gz KFRBFFRFOYBLNU-UHFFFAOYSA-N 2 1 402.539 3.698 20 0 HHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc(-c3ccc(OC)cc3OC)no2)CC1 ZINC000052209783 964840674 /nfs/dbraw/zinc/84/06/74/964840674.db2.gz KFRBFFRFOYBLNU-UHFFFAOYSA-N 2 1 402.539 3.698 20 0 HHADMP CN1C(=O)C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000537960526 1013539583 /nfs/dbraw/zinc/53/95/83/1013539583.db2.gz YZGRNBHRKODKDV-ISKFKSNPSA-N 2 1 411.977 3.909 20 0 HHADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000537959488 1013539894 /nfs/dbraw/zinc/53/98/94/1013539894.db2.gz JKRSZNAOITZXKV-RYGJVYDSSA-N 2 1 400.592 3.932 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)cc1 ZINC000537983464 1013558855 /nfs/dbraw/zinc/55/88/55/1013558855.db2.gz MYEAIQUEHOLAKK-UTZTXDCNSA-N 2 1 400.526 3.988 20 0 HHADMP CCOCCC[N@H+]1CC[C@H](NC[C@H](C(C)C)[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000537986594 1013561535 /nfs/dbraw/zinc/56/15/35/1013561535.db2.gz KCBBKTMDSKWDKB-IEZKXTBUSA-N 2 1 401.639 3.796 20 0 HHADMP CCOCCC[NH+]1CC[C@H](NC[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000537986594 1013561542 /nfs/dbraw/zinc/56/15/42/1013561542.db2.gz KCBBKTMDSKWDKB-IEZKXTBUSA-N 2 1 401.639 3.796 20 0 HHADMP CCOCCC[NH+]1CC[C@H](NC[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000537986594 1013561549 /nfs/dbraw/zinc/56/15/49/1013561549.db2.gz KCBBKTMDSKWDKB-IEZKXTBUSA-N 2 1 401.639 3.796 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C(C)C)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000537986594 1013561558 /nfs/dbraw/zinc/56/15/58/1013561558.db2.gz KCBBKTMDSKWDKB-IEZKXTBUSA-N 2 1 401.639 3.796 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C(C)C)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000537986594 1013561561 /nfs/dbraw/zinc/56/15/61/1013561561.db2.gz KCBBKTMDSKWDKB-IEZKXTBUSA-N 2 1 401.639 3.796 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057176776 965329477 /nfs/dbraw/zinc/32/94/77/965329477.db2.gz KYSPCIGEXKFVKF-JOCHJYFZSA-N 2 1 409.549 3.819 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000537987902 1013562549 /nfs/dbraw/zinc/56/25/49/1013562549.db2.gz RYQJBZAQWHILTH-LVCYWYKZSA-N 2 1 407.624 3.631 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000054720010 965621425 /nfs/dbraw/zinc/62/14/25/965621425.db2.gz RVQXURNJAXGKGQ-YKSBVNFPSA-N 2 1 406.574 3.917 20 0 HHADMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)c1ccn(C)n1 ZINC000542670836 1013595280 /nfs/dbraw/zinc/59/52/80/1013595280.db2.gz OAAYAIJLGTYLSE-XMMPIXPASA-N 2 1 403.574 3.983 20 0 HHADMP Cc1ccc(C)c(OCCC[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000538044549 1013616841 /nfs/dbraw/zinc/61/68/41/1013616841.db2.gz BEORSRJVJHIBSV-SZPZYZBQSA-N 2 1 404.595 3.663 20 0 HHADMP Cc1ccc(C)c(OCCC[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000538044549 1013616846 /nfs/dbraw/zinc/61/68/46/1013616846.db2.gz BEORSRJVJHIBSV-SZPZYZBQSA-N 2 1 404.595 3.663 20 0 HHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCCSCc3ccccc3)CC2)C[C@@H](C)O1 ZINC000538045953 1013618741 /nfs/dbraw/zinc/61/87/41/1013618741.db2.gz RUJGZQZXKKIFDE-NHCUHLMSSA-N 2 1 406.636 3.900 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)[NH+](C)C ZINC000061189183 966392390 /nfs/dbraw/zinc/39/23/90/966392390.db2.gz ZKNHYRYYCXMNCO-QHCPKHFHSA-N 2 1 424.589 3.783 20 0 HHADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)cc(Br)c2OC)C1 ZINC000037644448 966476512 /nfs/dbraw/zinc/47/65/12/966476512.db2.gz MVBXGDODKFINKV-NSHDSACASA-N 2 1 406.162 3.652 20 0 HHADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)cc(Br)c2OC)C1 ZINC000037644448 966476519 /nfs/dbraw/zinc/47/65/19/966476519.db2.gz MVBXGDODKFINKV-NSHDSACASA-N 2 1 406.162 3.652 20 0 HHADMP CC[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000061521197 966487716 /nfs/dbraw/zinc/48/77/16/966487716.db2.gz WWHURYHUHVKIKX-VWLOTQADSA-N 2 1 420.601 3.919 20 0 HHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056846044 966490840 /nfs/dbraw/zinc/49/08/40/966490840.db2.gz JSNVESLLXWMOPF-FQEVSTJZSA-N 2 1 400.611 3.934 20 0 HHADMP C[NH+](C)CC1(CNC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CCCC1 ZINC000542768168 1013671863 /nfs/dbraw/zinc/67/18/63/1013671863.db2.gz IRQOXPSOENCEQJ-UHFFFAOYSA-N 2 1 412.578 3.833 20 0 HHADMP C[NH+](C)CC1(CNC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CCCC1 ZINC000542768168 1013671872 /nfs/dbraw/zinc/67/18/72/1013671872.db2.gz IRQOXPSOENCEQJ-UHFFFAOYSA-N 2 1 412.578 3.833 20 0 HHADMP CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000553882128 1013674450 /nfs/dbraw/zinc/67/44/50/1013674450.db2.gz AXBLMEUKPCMANJ-VWLOTQADSA-N 2 1 422.617 3.949 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000063150769 966764173 /nfs/dbraw/zinc/76/41/73/966764173.db2.gz KIBWSDNXADPUOB-HYBUGGRVSA-N 2 1 422.642 3.951 20 0 HHADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000043137168 966914251 /nfs/dbraw/zinc/91/42/51/966914251.db2.gz UPFPKDPKHXCSFI-JOCHJYFZSA-N 2 1 410.562 3.724 20 0 HHADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000043391243 966964382 /nfs/dbraw/zinc/96/43/82/966964382.db2.gz MNZQXTFSMRXQCV-JOCHJYFZSA-N 2 1 416.610 3.929 20 0 HHADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000043391243 966964393 /nfs/dbraw/zinc/96/43/93/966964393.db2.gz MNZQXTFSMRXQCV-JOCHJYFZSA-N 2 1 416.610 3.929 20 0 HHADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000043391243 966964400 /nfs/dbraw/zinc/96/44/00/966964400.db2.gz MNZQXTFSMRXQCV-JOCHJYFZSA-N 2 1 416.610 3.929 20 0 HHADMP COCC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000542834368 1013697532 /nfs/dbraw/zinc/69/75/32/1013697532.db2.gz BPQFFUHROYSLBN-YFNKSVMNSA-N 2 1 407.558 3.662 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000064244567 967104288 /nfs/dbraw/zinc/10/42/88/967104288.db2.gz DYLGIVCDTQXOJQ-UHFFFAOYSA-N 2 1 414.619 3.911 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000064251170 967105200 /nfs/dbraw/zinc/10/52/00/967105200.db2.gz LFPDSPXIYHAADE-LJQANCHMSA-N 2 1 406.640 3.771 20 0 HHADMP CSC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000542846032 1013705179 /nfs/dbraw/zinc/70/51/79/1013705179.db2.gz JFGCHUBGFIMAEB-IBGZPJMESA-N 2 1 403.558 3.973 20 0 HHADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000542854293 1013712069 /nfs/dbraw/zinc/71/20/69/1013712069.db2.gz QWJBNCHBXJTBLQ-KXBFYZLASA-N 2 1 409.452 3.993 20 0 HHADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000542854293 1013712087 /nfs/dbraw/zinc/71/20/87/1013712087.db2.gz QWJBNCHBXJTBLQ-KXBFYZLASA-N 2 1 409.452 3.993 20 0 HHADMP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000065438954 967466131 /nfs/dbraw/zinc/46/61/31/967466131.db2.gz YMVZHSCTAOWQMU-UNMCSNQZSA-N 2 1 421.589 3.786 20 0 HHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000065549321 967514712 /nfs/dbraw/zinc/51/47/12/967514712.db2.gz FNOVHVRDPGVUDC-SFHVURJKSA-N 2 1 404.574 3.600 20 0 HHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000065550553 967515812 /nfs/dbraw/zinc/51/58/12/967515812.db2.gz PJWGQIFDRLAWFR-FQEVSTJZSA-N 2 1 400.611 3.723 20 0 HHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)CC1 ZINC000065550553 967515815 /nfs/dbraw/zinc/51/58/15/967515815.db2.gz PJWGQIFDRLAWFR-FQEVSTJZSA-N 2 1 400.611 3.723 20 0 HHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)CC1 ZINC000065550553 967515818 /nfs/dbraw/zinc/51/58/18/967515818.db2.gz PJWGQIFDRLAWFR-FQEVSTJZSA-N 2 1 400.611 3.723 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000045789394 967552949 /nfs/dbraw/zinc/55/29/49/967552949.db2.gz GNFJNEBBPGXGST-OAQYLSRUSA-N 2 1 412.622 3.936 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000542884856 1013732778 /nfs/dbraw/zinc/73/27/78/1013732778.db2.gz HNZJSZHYYGIMNR-QGZVFWFLSA-N 2 1 402.498 3.908 20 0 HHADMP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000542886104 1013733453 /nfs/dbraw/zinc/73/34/53/1013733453.db2.gz QPGLWCZGDXDVIP-HOTGVXAUSA-N 2 1 405.502 3.817 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N[C@@H](C)Cc2c(F)cccc2F)cc1 ZINC000542887206 1013734706 /nfs/dbraw/zinc/73/47/06/1013734706.db2.gz YCIDWJBDOUPDOB-HOTGVXAUSA-N 2 1 412.484 3.857 20 0 HHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@H](C)c2ccc(F)cc2F)CC1 ZINC000538188748 1013746210 /nfs/dbraw/zinc/74/62/10/1013746210.db2.gz XHEDUVGMJMJFHK-GOSISDBHSA-N 2 1 401.501 3.658 20 0 HHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@H](C)c2ccc(F)cc2F)CC1 ZINC000538188748 1013746216 /nfs/dbraw/zinc/74/62/16/1013746216.db2.gz XHEDUVGMJMJFHK-GOSISDBHSA-N 2 1 401.501 3.658 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000554031432 1013764018 /nfs/dbraw/zinc/76/40/18/1013764018.db2.gz GIBVMBRKYPKZHD-XNKSBNDBSA-N 2 1 420.548 3.757 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000554031432 1013764023 /nfs/dbraw/zinc/76/40/23/1013764023.db2.gz GIBVMBRKYPKZHD-XNKSBNDBSA-N 2 1 420.548 3.757 20 0 HHADMP CC[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000047306006 968132918 /nfs/dbraw/zinc/13/29/18/968132918.db2.gz AMPHZZJZYQNVKJ-VWLOTQADSA-N 2 1 405.586 3.852 20 0 HHADMP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542954916 1013785785 /nfs/dbraw/zinc/78/57/85/1013785785.db2.gz SUIZOWBEWCTKQA-YSSFQJQWSA-N 2 1 422.976 3.929 20 0 HHADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542954916 1013785790 /nfs/dbraw/zinc/78/57/90/1013785790.db2.gz SUIZOWBEWCTKQA-YSSFQJQWSA-N 2 1 422.976 3.929 20 0 HHADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542954916 1013785795 /nfs/dbraw/zinc/78/57/95/1013785795.db2.gz SUIZOWBEWCTKQA-YSSFQJQWSA-N 2 1 422.976 3.929 20 0 HHADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542954916 1013785800 /nfs/dbraw/zinc/78/58/00/1013785800.db2.gz SUIZOWBEWCTKQA-YSSFQJQWSA-N 2 1 422.976 3.929 20 0 HHADMP COc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000072027246 968940679 /nfs/dbraw/zinc/94/06/79/968940679.db2.gz IHDQCJOQJJARHA-BJKOFHAPSA-N 2 1 407.558 3.613 20 0 HHADMP COc1c(C)cc(C[N@@H+](C)[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000072074068 968975627 /nfs/dbraw/zinc/97/56/27/968975627.db2.gz OMANRAPPULSXGZ-NRFANRHFSA-N 2 1 423.601 3.913 20 0 HHADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000072097325 968990251 /nfs/dbraw/zinc/99/02/51/968990251.db2.gz VGDNWCRPXUNRME-IBGZPJMESA-N 2 1 423.557 3.629 20 0 HHADMP Cc1ccc([C@H](CNC(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)[NH+](C)C)cc1 ZINC000078872864 969020185 /nfs/dbraw/zinc/02/01/85/969020185.db2.gz YDXKRWKRHFMBFA-CVDCTZTESA-N 2 1 410.562 3.813 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)CC(C)C ZINC000078872661 969020289 /nfs/dbraw/zinc/02/02/89/969020289.db2.gz ILPDGSJURYWUFQ-DENIHFKCSA-N 2 1 404.599 3.958 20 0 HHADMP C[NH+](C)CCOc1ccccc1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000108592633 969397892 /nfs/dbraw/zinc/39/78/92/969397892.db2.gz OIWIEUWCBOPQDC-OAQYLSRUSA-N 2 1 415.965 3.847 20 0 HHADMP O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000109339332 969501970 /nfs/dbraw/zinc/50/19/70/969501970.db2.gz ZMRFSPLSKTYZNZ-QHCPKHFHSA-N 2 1 409.549 3.772 20 0 HHADMP O=C([C@H]1CCC[NH+](Cc2cccc(F)c2)C1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000109339332 969501975 /nfs/dbraw/zinc/50/19/75/969501975.db2.gz ZMRFSPLSKTYZNZ-QHCPKHFHSA-N 2 1 409.549 3.772 20 0 HHADMP O=C([C@H]1CCC[NH+](Cc2cccc(F)c2)C1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000109339332 969501979 /nfs/dbraw/zinc/50/19/79/969501979.db2.gz ZMRFSPLSKTYZNZ-QHCPKHFHSA-N 2 1 409.549 3.772 20 0 HHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)CC1 ZINC000554262957 1013882926 /nfs/dbraw/zinc/88/29/26/1013882926.db2.gz FGQCGUPWBLXWQL-RDPSFJRHSA-N 2 1 406.574 3.507 20 0 HHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2C[C@@H](C)C[C@H]2c2cccnc2)CC1 ZINC000554262957 1013882930 /nfs/dbraw/zinc/88/29/30/1013882930.db2.gz FGQCGUPWBLXWQL-RDPSFJRHSA-N 2 1 406.574 3.507 20 0 HHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@@H](C)C[C@H]2c2cccnc2)CC1 ZINC000554262957 1013882936 /nfs/dbraw/zinc/88/29/36/1013882936.db2.gz FGQCGUPWBLXWQL-RDPSFJRHSA-N 2 1 406.574 3.507 20 0 HHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@@H](C)C[C@H]2c2cccnc2)CC1 ZINC000554262957 1013882940 /nfs/dbraw/zinc/88/29/40/1013882940.db2.gz FGQCGUPWBLXWQL-RDPSFJRHSA-N 2 1 406.574 3.507 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)CC1 ZINC000554263981 1013883409 /nfs/dbraw/zinc/88/34/09/1013883409.db2.gz KSVUAQYEWRIIMX-CYFREDJKSA-N 2 1 406.574 3.554 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C)C[C@H]2c2cccnc2)CC1 ZINC000554263981 1013883414 /nfs/dbraw/zinc/88/34/14/1013883414.db2.gz KSVUAQYEWRIIMX-CYFREDJKSA-N 2 1 406.574 3.554 20 0 HHADMP C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000109545340 969530985 /nfs/dbraw/zinc/53/09/85/969530985.db2.gz URKODYHFQGXXFS-MRXNPFEDSA-N 2 1 404.942 3.885 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)cc1)C(C)C ZINC000110121325 969625816 /nfs/dbraw/zinc/62/58/16/969625816.db2.gz MWMJAXRPEPNGAK-UHFFFAOYSA-N 2 1 408.590 3.917 20 0 HHADMP CC[N@H+](Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1)C(C)C ZINC000110121325 969625820 /nfs/dbraw/zinc/62/58/20/969625820.db2.gz MWMJAXRPEPNGAK-UHFFFAOYSA-N 2 1 408.590 3.917 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1)C(C)C ZINC000110121325 969625824 /nfs/dbraw/zinc/62/58/24/969625824.db2.gz MWMJAXRPEPNGAK-UHFFFAOYSA-N 2 1 408.590 3.917 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000110149172 969629916 /nfs/dbraw/zinc/62/99/16/969629916.db2.gz DUBYFEPKEWWISM-CTNGQTDRSA-N 2 1 411.512 3.678 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000110149172 969629921 /nfs/dbraw/zinc/62/99/21/969629921.db2.gz DUBYFEPKEWWISM-CTNGQTDRSA-N 2 1 411.512 3.678 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000110149172 969629924 /nfs/dbraw/zinc/62/99/24/969629924.db2.gz DUBYFEPKEWWISM-CTNGQTDRSA-N 2 1 411.512 3.678 20 0 HHADMP O=C(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)Nc1ccc(-c2ccccc2)cc1 ZINC000110478824 969675863 /nfs/dbraw/zinc/67/58/63/969675863.db2.gz YJWPIUDKJODTJR-UHFFFAOYSA-N 2 1 407.558 3.726 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1)C(C)C ZINC000110600769 969694791 /nfs/dbraw/zinc/69/47/91/969694791.db2.gz XYJKYOAXNYPOEF-RUZDIDTESA-N 2 1 422.617 3.635 20 0 HHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3nn(-c4ccccc4)c4c3CCC4)CC2)C[C@H](C)O1 ZINC000112516184 969813089 /nfs/dbraw/zinc/81/30/89/969813089.db2.gz GFHRCJWBLRDBBF-PMACEKPBSA-N 2 1 408.590 3.682 20 0 HHADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000139847030 970048892 /nfs/dbraw/zinc/04/88/92/970048892.db2.gz QCSHRQQXWAUICT-OAQYLSRUSA-N 2 1 412.603 3.530 20 0 HHADMP C[N@H+](CCCNC(=O)Nc1ccccc1C[NH+]1CCSCC1)Cc1ccccc1 ZINC000139885603 970051463 /nfs/dbraw/zinc/05/14/63/970051463.db2.gz UGGDFYUJLNYCJD-UHFFFAOYSA-N 2 1 412.603 3.879 20 0 HHADMP C[N@@H+](CCCNC(=O)Nc1ccccc1C[NH+]1CCSCC1)Cc1ccccc1 ZINC000139885603 970051471 /nfs/dbraw/zinc/05/14/71/970051471.db2.gz UGGDFYUJLNYCJD-UHFFFAOYSA-N 2 1 412.603 3.879 20 0 HHADMP c1c(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000236635526 970150141 /nfs/dbraw/zinc/15/01/41/970150141.db2.gz NLRIOJYVAGZBDE-FQEVSTJZSA-N 2 1 417.557 3.525 20 0 HHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)c1 ZINC000236882905 970184476 /nfs/dbraw/zinc/18/44/76/970184476.db2.gz HSZVKQVMSUYJMT-UHFFFAOYSA-N 2 1 420.557 3.990 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc(OC)ccc2OC)CC1 ZINC000236980841 970198910 /nfs/dbraw/zinc/19/89/10/970198910.db2.gz SKXZOWNMFVXUTI-QGZVFWFLSA-N 2 1 401.526 3.836 20 0 HHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(C(N)=O)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237119734 970225686 /nfs/dbraw/zinc/22/56/86/970225686.db2.gz ACDNFLBUTNAVJA-ICSRJNTNSA-N 2 1 405.464 3.977 20 0 HHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(C(N)=O)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237119734 970225687 /nfs/dbraw/zinc/22/56/87/970225687.db2.gz ACDNFLBUTNAVJA-ICSRJNTNSA-N 2 1 405.464 3.977 20 0 HHADMP Clc1cccc([C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)N2CCOCC2)c1 ZINC000237828228 970376762 /nfs/dbraw/zinc/37/67/62/970376762.db2.gz AQQYZBSVHZTOTG-XMMPIXPASA-N 2 1 413.993 3.968 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000148966012 970377768 /nfs/dbraw/zinc/37/77/68/970377768.db2.gz ONOOXGWTPMJDFK-UTKZUKDTSA-N 2 1 418.582 3.701 20 0 HHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000237880196 970388112 /nfs/dbraw/zinc/38/81/12/970388112.db2.gz RYCMWQUGCVETKR-OAQYLSRUSA-N 2 1 404.986 3.528 20 0 HHADMP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000237883322 970388281 /nfs/dbraw/zinc/38/82/81/970388281.db2.gz BWNNHCJGQPIYFL-HSZRJFAPSA-N 2 1 408.521 3.533 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(-c4ccncc4)c3)c2)C1 ZINC000237924329 970395375 /nfs/dbraw/zinc/39/53/75/970395375.db2.gz MJACXJFPNAIVJO-RUZDIDTESA-N 2 1 414.553 3.736 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccccc3OC3CCCC3)c2)C1 ZINC000237922632 970395604 /nfs/dbraw/zinc/39/56/04/970395604.db2.gz YNAXJTKKWCOROX-HSZRJFAPSA-N 2 1 421.585 3.995 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(Cl)c(Cl)c3)c2)C1 ZINC000237934120 970397940 /nfs/dbraw/zinc/39/79/40/970397940.db2.gz JDQCRAWBQOVDLS-SFHVURJKSA-N 2 1 406.357 3.981 20 0 HHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000237965668 970407441 /nfs/dbraw/zinc/40/74/41/970407441.db2.gz VPMVHYQBEGALLR-SFHVURJKSA-N 2 1 424.408 3.899 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3CC[N@@H+]([C@H](C)c4ccccc4)C3)CC2)cs1 ZINC000250905514 970541148 /nfs/dbraw/zinc/54/11/48/970541148.db2.gz QZOGGZCDTDEFOO-UTKZUKDTSA-N 2 1 412.603 3.615 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3CC[N@H+]([C@H](C)c4ccccc4)C3)CC2)cs1 ZINC000250905514 970541159 /nfs/dbraw/zinc/54/11/59/970541159.db2.gz QZOGGZCDTDEFOO-UTKZUKDTSA-N 2 1 412.603 3.615 20 0 HHADMP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000195606780 970549421 /nfs/dbraw/zinc/54/94/21/970549421.db2.gz WAANTTQRXPERKN-BJKOFHAPSA-N 2 1 406.574 3.787 20 0 HHADMP C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000389148569 972810781 /nfs/dbraw/zinc/81/07/81/972810781.db2.gz WPULOWLNJNWNCW-FUHWJXTLSA-N 2 1 416.363 3.888 20 0 HHADMP C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000389148569 972810797 /nfs/dbraw/zinc/81/07/97/972810797.db2.gz WPULOWLNJNWNCW-FUHWJXTLSA-N 2 1 416.363 3.888 20 0 HHADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390561765 972825858 /nfs/dbraw/zinc/82/58/58/972825858.db2.gz ACKPTEOSJSXITQ-FCHUYYIVSA-N 2 1 419.610 3.664 20 0 HHADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390561765 972825869 /nfs/dbraw/zinc/82/58/69/972825869.db2.gz ACKPTEOSJSXITQ-FCHUYYIVSA-N 2 1 419.610 3.664 20 0 HHADMP O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000410312518 973855930 /nfs/dbraw/zinc/85/59/30/973855930.db2.gz SBPDHZFZWGLONO-UHFFFAOYSA-N 2 1 420.601 3.611 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000410392800 973990691 /nfs/dbraw/zinc/99/06/91/973990691.db2.gz MCEPPAXOFCUVEH-HXUWFJFHSA-N 2 1 408.590 3.980 20 0 HHADMP CCCN(C(=O)C1(C[NH+](C)C)CCCCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000426425163 974442068 /nfs/dbraw/zinc/44/20/68/974442068.db2.gz PBBVAKHLXOLYQZ-UHFFFAOYSA-N 2 1 415.626 3.813 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+](CCOC)Cc2scnc2C)CC1 ZINC000426556347 974526532 /nfs/dbraw/zinc/52/65/32/974526532.db2.gz BYKJOGWDCYZDFH-UHFFFAOYSA-N 2 1 402.608 3.632 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](CCOC)Cc2scnc2C)CC1 ZINC000426556347 974526535 /nfs/dbraw/zinc/52/65/35/974526535.db2.gz BYKJOGWDCYZDFH-UHFFFAOYSA-N 2 1 402.608 3.632 20 0 HHADMP CCc1cccc(C)c1NC(=O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426776971 974652564 /nfs/dbraw/zinc/65/25/64/974652564.db2.gz JJUHKJROLYYGDA-WOJBJXKFSA-N 2 1 401.595 3.707 20 0 HHADMP C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426813956 974679882 /nfs/dbraw/zinc/67/98/82/974679882.db2.gz AXWQEWURLWSFMJ-ZCNNSNEGSA-N 2 1 424.589 3.773 20 0 HHADMP CCOc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426816954 974682452 /nfs/dbraw/zinc/68/24/52/974682452.db2.gz QZYHLBGYQUYCJS-ZCNNSNEGSA-N 2 1 417.594 3.624 20 0 HHADMP CCOc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426816954 974682456 /nfs/dbraw/zinc/68/24/56/974682456.db2.gz QZYHLBGYQUYCJS-ZCNNSNEGSA-N 2 1 417.594 3.624 20 0 HHADMP C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426820670 974686020 /nfs/dbraw/zinc/68/60/20/974686020.db2.gz MKROIMGIWPRQAY-CEXWTWQISA-N 2 1 422.013 3.556 20 0 HHADMP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426826907 974691931 /nfs/dbraw/zinc/69/19/31/974691931.db2.gz QIKBDCCHEZAQBL-LNRXMEIDSA-N 2 1 415.622 3.772 20 0 HHADMP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426830481 974694911 /nfs/dbraw/zinc/69/49/11/974694911.db2.gz YMBRBDHFIOOISK-BDTNDASRSA-N 2 1 415.622 3.553 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ncc(Br)cc1F ZINC000427708777 975246667 /nfs/dbraw/zinc/24/66/67/975246667.db2.gz BYGKJYZSLZPENR-CQSZACIVSA-N 2 1 422.342 3.791 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)NCCC[NH+]2CCc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000428283286 975596634 /nfs/dbraw/zinc/59/66/34/975596634.db2.gz STSFIJPWELSIQK-OFVILXPXSA-N 2 1 420.601 3.787 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000428283286 975596642 /nfs/dbraw/zinc/59/66/42/975596642.db2.gz STSFIJPWELSIQK-OFVILXPXSA-N 2 1 420.601 3.787 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)NCCC[N@H+]2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000428283286 975596654 /nfs/dbraw/zinc/59/66/54/975596654.db2.gz STSFIJPWELSIQK-OFVILXPXSA-N 2 1 420.601 3.787 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)CC1 ZINC000428782709 976057935 /nfs/dbraw/zinc/05/79/35/976057935.db2.gz LKMBHOWYWOSJQB-RXVVDRJESA-N 2 1 413.528 3.883 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)CC1 ZINC000428782709 976057949 /nfs/dbraw/zinc/05/79/49/976057949.db2.gz LKMBHOWYWOSJQB-RXVVDRJESA-N 2 1 413.528 3.883 20 0 HHADMP Cc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000428900504 976202492 /nfs/dbraw/zinc/20/24/92/976202492.db2.gz HVNCBYOTCPNANS-IRLDBZIGSA-N 2 1 424.589 3.968 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000429057435 976344086 /nfs/dbraw/zinc/34/40/86/976344086.db2.gz AWIVRAVHNUCASW-YADHBBJMSA-N 2 1 420.548 3.662 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000429057435 976344098 /nfs/dbraw/zinc/34/40/98/976344098.db2.gz AWIVRAVHNUCASW-YADHBBJMSA-N 2 1 420.548 3.662 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000429057434 976344576 /nfs/dbraw/zinc/34/45/76/976344576.db2.gz AWIVRAVHNUCASW-VXKWHMMOSA-N 2 1 420.548 3.662 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000429057434 976344590 /nfs/dbraw/zinc/34/45/90/976344590.db2.gz AWIVRAVHNUCASW-VXKWHMMOSA-N 2 1 420.548 3.662 20 0 HHADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429331310 976596392 /nfs/dbraw/zinc/59/63/92/976596392.db2.gz VBRKSODGYSQTIV-FQEVSTJZSA-N 2 1 421.541 3.515 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000429424964 976702665 /nfs/dbraw/zinc/70/26/65/976702665.db2.gz DSLIXUMNAQOVPO-OXJNMPFZSA-N 2 1 406.979 3.744 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000429424964 976702672 /nfs/dbraw/zinc/70/26/72/976702672.db2.gz DSLIXUMNAQOVPO-OXJNMPFZSA-N 2 1 406.979 3.744 20 0 HHADMP Cc1cc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000429602758 976883791 /nfs/dbraw/zinc/88/37/91/976883791.db2.gz QCEUHIIONFIENQ-YADHBBJMSA-N 2 1 424.593 3.587 20 0 HHADMP Cc1cc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000429602757 976884269 /nfs/dbraw/zinc/88/42/69/976884269.db2.gz QCEUHIIONFIENQ-VXKWHMMOSA-N 2 1 424.593 3.587 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000430660769 977673673 /nfs/dbraw/zinc/67/36/73/977673673.db2.gz FLQOROQYAOWJGY-CTUHWIOQSA-N 2 1 409.549 3.959 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000430660769 977673677 /nfs/dbraw/zinc/67/36/77/977673677.db2.gz FLQOROQYAOWJGY-CTUHWIOQSA-N 2 1 409.549 3.959 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000430660769 977673679 /nfs/dbraw/zinc/67/36/79/977673679.db2.gz FLQOROQYAOWJGY-CTUHWIOQSA-N 2 1 409.549 3.959 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000430660769 977673683 /nfs/dbraw/zinc/67/36/83/977673683.db2.gz FLQOROQYAOWJGY-CTUHWIOQSA-N 2 1 409.549 3.959 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1csc2c1CCCC2 ZINC000430667889 977679176 /nfs/dbraw/zinc/67/91/76/977679176.db2.gz GHQGQYRUEHCIQA-UHFFFAOYSA-N 2 1 403.636 3.895 20 0 HHADMP CCOc1cc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1C ZINC000430670398 977681199 /nfs/dbraw/zinc/68/11/99/977681199.db2.gz MUYIEVCMVMQKMS-UHFFFAOYSA-N 2 1 401.595 3.662 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CSc1ccc(F)cc1 ZINC000430673355 977684816 /nfs/dbraw/zinc/68/48/16/977684816.db2.gz BUZZAFXYVOQAGD-UHFFFAOYSA-N 2 1 407.599 3.573 20 0 HHADMP Cc1oc(-c2ccccc2)nc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430675109 977685551 /nfs/dbraw/zinc/68/55/51/977685551.db2.gz LKVBCXKSMGPWMS-UHFFFAOYSA-N 2 1 424.589 3.918 20 0 HHADMP C[C@H](CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1F ZINC000430677445 977687841 /nfs/dbraw/zinc/68/78/41/977687841.db2.gz JTMNPDBJHSZSRF-LJQANCHMSA-N 2 1 403.586 3.974 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCOc1ccccc1Cl ZINC000430679852 977689826 /nfs/dbraw/zinc/68/98/26/977689826.db2.gz NHPQQNFAJVNGBU-UHFFFAOYSA-N 2 1 422.013 3.764 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Cc1coc(-c2ccccc2)n1 ZINC000430684238 977694289 /nfs/dbraw/zinc/69/42/89/977694289.db2.gz ZTMLLNBIVLRDFC-UHFFFAOYSA-N 2 1 424.589 3.539 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000430687077 977694961 /nfs/dbraw/zinc/69/49/61/977694961.db2.gz OUVHSUSYFJVMMO-LEWJYISDSA-N 2 1 419.560 3.723 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Cc1csc(C(C)(C)C)n1 ZINC000430686260 977694978 /nfs/dbraw/zinc/69/49/78/977694978.db2.gz LUNMONDMGBGMMP-UHFFFAOYSA-N 2 1 420.667 3.638 20 0 HHADMP COC(=O)[C@H](c1ccccc1Cl)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430923119 977889988 /nfs/dbraw/zinc/88/99/88/977889988.db2.gz BZQSOFDFVXSIDO-QFIPXVFZSA-N 2 1 422.013 3.682 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCC(=O)Nc3ccccc3Cl)CC2)CC1 ZINC000430935106 977899878 /nfs/dbraw/zinc/89/98/78/977899878.db2.gz RYSBHBMDAKVZMC-UHFFFAOYSA-N 2 1 421.029 3.797 20 0 HHADMP C[N@@H+](CCC(=O)Nc1ccccc1Cl)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430935106 977899885 /nfs/dbraw/zinc/89/98/85/977899885.db2.gz RYSBHBMDAKVZMC-UHFFFAOYSA-N 3 1 421.029 3.797 20 0 HHADMP C[N@H+](CCC(=O)Nc1ccccc1Cl)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430935106 977899894 /nfs/dbraw/zinc/89/98/94/977899894.db2.gz RYSBHBMDAKVZMC-UHFFFAOYSA-N 3 1 421.029 3.797 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccn(-c4ccc(F)cc4)n3)CC2)CC1 ZINC000430950133 977909220 /nfs/dbraw/zinc/90/92/20/977909220.db2.gz GFTFOFYAHZEJQO-UHFFFAOYSA-N 2 1 413.585 3.640 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccn(-c4ccc(F)cc4)n3)CC2)CC1 ZINC000430950133 977909228 /nfs/dbraw/zinc/90/92/28/977909228.db2.gz GFTFOFYAHZEJQO-UHFFFAOYSA-N 2 1 413.585 3.640 20 0 HHADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000430955561 977911707 /nfs/dbraw/zinc/91/17/07/977911707.db2.gz ZEVBHHYMWKHXQL-NRFANRHFSA-N 2 1 414.638 3.759 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cc2c(cccc2F)[nH]1 ZINC000430990168 977935272 /nfs/dbraw/zinc/93/52/72/977935272.db2.gz QVZWFHUGRLKOGX-UHFFFAOYSA-N 2 1 400.542 3.575 20 0 HHADMP CC(C)c1ncc(Cl)c(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000431003930 977948502 /nfs/dbraw/zinc/94/85/02/977948502.db2.gz GPWLJNBMDBUVEJ-UHFFFAOYSA-N 2 1 422.017 3.522 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1ccccc1-n1cccn1 ZINC000431070070 978001111 /nfs/dbraw/zinc/00/11/11/978001111.db2.gz JCMYMNWCRMRGTN-UHFFFAOYSA-N 2 1 424.593 3.532 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1nc2c(s1)CCCC2 ZINC000431079773 978008224 /nfs/dbraw/zinc/00/82/24/978008224.db2.gz ZSRXYEDVPGFWDB-UHFFFAOYSA-N 2 1 419.639 3.682 20 0 HHADMP Cc1cc(NC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n(C2CC[NH+](C)CC2)n1 ZINC000431157843 978058491 /nfs/dbraw/zinc/05/84/91/978058491.db2.gz ZBYICHMMXMDPOR-QFIPXVFZSA-N 2 1 424.593 3.587 20 0 HHADMP CCOCc1ccc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000431173381 978073131 /nfs/dbraw/zinc/07/31/31/978073131.db2.gz QUXRJYMSCHXDIN-UHFFFAOYSA-N 2 1 416.610 3.883 20 0 HHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCOc4cc5c(cc43)CCC5)cc2)CC1 ZINC000431354779 978231967 /nfs/dbraw/zinc/23/19/67/978231967.db2.gz ZMWGWMVPZIZZGX-RUZDIDTESA-N 2 1 405.586 3.926 20 0 HHADMP COc1cc(C)ccc1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431409061 978280679 /nfs/dbraw/zinc/28/06/79/978280679.db2.gz ZHNPKEXLJOQDBA-UHFFFAOYSA-N 2 1 402.583 3.664 20 0 HHADMP Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000431511547 978340075 /nfs/dbraw/zinc/34/00/75/978340075.db2.gz AYGDDGJQUTYPHD-FQEVSTJZSA-N 2 1 423.605 3.740 20 0 HHADMP CC(C)CC[NH+]1CCC(CNC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000431566824 978362179 /nfs/dbraw/zinc/36/21/79/978362179.db2.gz SKTNOZUXSLBPBF-SFTDATJTSA-N 2 1 415.622 3.784 20 0 HHADMP CC(C)CC[NH+]1CCC(CNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000431628826 978395400 /nfs/dbraw/zinc/39/54/00/978395400.db2.gz AIISLCJPDKYUQM-UHFFFAOYSA-N 2 1 400.611 3.662 20 0 HHADMP C[C@H]1Cc2ccccc2[C@@H]1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431660928 978418884 /nfs/dbraw/zinc/41/88/84/978418884.db2.gz ORILVCLEOASTLH-YADARESESA-N 2 1 412.622 3.758 20 0 HHADMP CCc1nc([C@@H](C)NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cs1 ZINC000431664144 978420803 /nfs/dbraw/zinc/42/08/03/978420803.db2.gz XERLNUMHULIZGQ-QGZVFWFLSA-N 2 1 421.655 3.604 20 0 HHADMP CCS[C@@H]1CCC[C@H](NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000431666395 978422142 /nfs/dbraw/zinc/42/21/42/978422142.db2.gz SXHZQLHMIUFUCF-RBBKRZOGSA-N 2 1 424.699 3.888 20 0 HHADMP Cc1cccc([C@@H](C)CNC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000431673837 978427887 /nfs/dbraw/zinc/42/78/87/978427887.db2.gz BMUMCGTVOJSRKX-NRFANRHFSA-N 2 1 414.638 3.936 20 0 HHADMP C[C@@H](CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccs1 ZINC000431674603 978427930 /nfs/dbraw/zinc/42/79/30/978427930.db2.gz DTSCBSPMIVTUGC-LJQANCHMSA-N 2 1 420.667 3.764 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000431675846 978429250 /nfs/dbraw/zinc/42/92/50/978429250.db2.gz JPTKZWFIKIQRSR-ZJSXRUAMSA-N 2 1 406.574 3.567 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000431675846 978429256 /nfs/dbraw/zinc/42/92/56/978429256.db2.gz JPTKZWFIKIQRSR-ZJSXRUAMSA-N 2 1 406.574 3.567 20 0 HHADMP COc1cccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[NH+](C)C)c1 ZINC000431677032 978429682 /nfs/dbraw/zinc/42/96/82/978429682.db2.gz TVRKKCOPPRHJMX-UCFCWBNQSA-N 2 1 424.589 3.650 20 0 HHADMP COc1cccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[NH+](C)C)c1 ZINC000431677030 978429847 /nfs/dbraw/zinc/42/98/47/978429847.db2.gz TVRKKCOPPRHJMX-CKUXNOBLSA-N 2 1 424.589 3.650 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000431698104 978442822 /nfs/dbraw/zinc/44/28/22/978442822.db2.gz KUIGIWWJRQPPSQ-YKSBVNFPSA-N 2 1 408.590 3.991 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000431698104 978442825 /nfs/dbraw/zinc/44/28/25/978442825.db2.gz KUIGIWWJRQPPSQ-YKSBVNFPSA-N 2 1 408.590 3.991 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000431698104 978442829 /nfs/dbraw/zinc/44/28/29/978442829.db2.gz KUIGIWWJRQPPSQ-YKSBVNFPSA-N 2 1 408.590 3.991 20 0 HHADMP Cc1ccc([C@@H](C)CNC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000431697948 978442959 /nfs/dbraw/zinc/44/29/59/978442959.db2.gz KJVKCWAAROXMKF-NRFANRHFSA-N 2 1 414.638 3.936 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000431699929 978444375 /nfs/dbraw/zinc/44/43/75/978444375.db2.gz SXTDTZPFAJKYJG-NFBKMPQASA-N 2 1 400.611 3.803 20 0 HHADMP COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)CC2)cc1 ZINC000431774663 978502886 /nfs/dbraw/zinc/50/28/86/978502886.db2.gz FTNAIFXSXWFJJA-DEOSSOPVSA-N 2 1 413.606 3.821 20 0 HHADMP CCC[C@H]1CN(C(=O)Cc2cncn2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000431823660 978538392 /nfs/dbraw/zinc/53/83/92/978538392.db2.gz RJIXETOAMHDDCB-DEOSSOPVSA-N 2 1 416.569 3.987 20 0 HHADMP CCC[C@H]1CN(C(=O)Cc2cncn2Cc2ccccc2)CCN1Cc1ccccc1 ZINC000431823660 978538396 /nfs/dbraw/zinc/53/83/96/978538396.db2.gz RJIXETOAMHDDCB-DEOSSOPVSA-N 2 1 416.569 3.987 20 0 HHADMP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)CC2)C[C@@H](C)O1 ZINC000431854704 978553855 /nfs/dbraw/zinc/55/38/55/978553855.db2.gz PNHLMOJJVBMSQL-VIZSFHNOSA-N 2 1 405.627 3.521 20 0 HHADMP C[C@@H](CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)[N@H+]1CCC[C@H](C)C1 ZINC000431920825 978602158 /nfs/dbraw/zinc/60/21/58/978602158.db2.gz VKLDBZDPELXNDY-VXKWHMMOSA-N 2 1 412.622 3.805 20 0 HHADMP CCc1ccc([C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[NH+](CC)CC)cc1 ZINC000431976364 978626727 /nfs/dbraw/zinc/62/67/27/978626727.db2.gz CJOBUZLBWSJXPO-GLCCWIKHSA-N 2 1 400.611 3.946 20 0 HHADMP C[C@H]1C[N@H+](CCC[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCCO1 ZINC000432351272 978772256 /nfs/dbraw/zinc/77/22/56/978772256.db2.gz KWWKUYHIZUYNCC-SFHVURJKSA-N 2 1 424.427 3.504 20 0 HHADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCCO1 ZINC000432351272 978772258 /nfs/dbraw/zinc/77/22/58/978772258.db2.gz KWWKUYHIZUYNCC-SFHVURJKSA-N 2 1 424.427 3.504 20 0 HHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000432426368 978807327 /nfs/dbraw/zinc/80/73/27/978807327.db2.gz ZNLPGRUHINFRFV-SVFBPWRDSA-N 2 1 408.558 3.925 20 0 HHADMP CC[C@@]1(CO)CCC[N@@H+](Cc2cc(C[NH+]3CCC[C@](CC)(CO)C3)cc(OC)c2)C1 ZINC000432792091 978975735 /nfs/dbraw/zinc/97/57/35/978975735.db2.gz IOTQZQONHMPDTR-PLQXJYEYSA-N 2 1 418.622 3.664 20 0 HHADMP CC[C@@]1(CO)CCC[NH+](Cc2cc(C[N@@H+]3CCC[C@](CC)(CO)C3)cc(OC)c2)C1 ZINC000432792091 978975739 /nfs/dbraw/zinc/97/57/39/978975739.db2.gz IOTQZQONHMPDTR-PLQXJYEYSA-N 2 1 418.622 3.664 20 0 HHADMP CC[C@@]1(CO)CCC[NH+](Cc2cc(C[N@H+]3CCC[C@](CC)(CO)C3)cc(OC)c2)C1 ZINC000432792091 978975741 /nfs/dbraw/zinc/97/57/41/978975741.db2.gz IOTQZQONHMPDTR-PLQXJYEYSA-N 2 1 418.622 3.664 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)[C@H]2C)CC1 ZINC000432835933 978988007 /nfs/dbraw/zinc/98/80/07/978988007.db2.gz KFXTUMYQCFGJES-PXDATVDWSA-N 2 1 405.586 3.954 20 0 HHADMP C[C@@H](C(=O)NCCc1ccccc1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433050380 979052211 /nfs/dbraw/zinc/05/22/11/979052211.db2.gz BKTJMXVVYUSIKI-QFIPXVFZSA-N 2 1 405.586 3.722 20 0 HHADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000433366009 979257725 /nfs/dbraw/zinc/25/77/25/979257725.db2.gz NJVJQSNAULLCAQ-KKSFZXQISA-N 2 1 403.929 3.964 20 0 HHADMP O=C(NC[C@H]1CCCC[NH+]1C1CC1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000434449237 980188597 /nfs/dbraw/zinc/18/85/97/980188597.db2.gz WOOWLAYYNVOHOL-CTNGQTDRSA-N 2 1 409.496 3.574 20 0 HHADMP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000434449237 980188601 /nfs/dbraw/zinc/18/86/01/980188601.db2.gz WOOWLAYYNVOHOL-CTNGQTDRSA-N 2 1 409.496 3.574 20 0 HHADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000434449237 980188604 /nfs/dbraw/zinc/18/86/04/980188604.db2.gz WOOWLAYYNVOHOL-CTNGQTDRSA-N 2 1 409.496 3.574 20 0 HHADMP O[C@@H](CO[C@@H]1CCCc2ccccc21)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434689591 980341137 /nfs/dbraw/zinc/34/11/37/980341137.db2.gz WRYVEDHHDOLFOI-ISKFKSNPSA-N 2 1 409.574 3.854 20 0 HHADMP O[C@@H](COc1cccc(C(F)(F)F)c1)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434690607 980342230 /nfs/dbraw/zinc/34/22/30/980342230.db2.gz IPKBAHUXCIVKEX-LJQANCHMSA-N 2 1 423.479 3.858 20 0 HHADMP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000435058333 980602316 /nfs/dbraw/zinc/60/23/16/980602316.db2.gz MMSLNHKEEBQIOZ-UHFFFAOYSA-N 2 1 419.529 3.760 20 0 HHADMP Cc1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)n([C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000435521265 980917054 /nfs/dbraw/zinc/91/70/54/980917054.db2.gz GJKPJZOGXPMARF-NNWRFLSQSA-N 2 1 424.593 3.585 20 0 HHADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435633050 980968587 /nfs/dbraw/zinc/96/85/87/980968587.db2.gz ALPGCYBTTVDRSH-FQEVSTJZSA-N 2 1 406.534 3.679 20 0 HHADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000435633050 980968590 /nfs/dbraw/zinc/96/85/90/980968590.db2.gz ALPGCYBTTVDRSH-FQEVSTJZSA-N 2 1 406.534 3.679 20 0 HHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCC(=O)Nc3ccc(Oc4ccccc4)cc3)C2)CC1 ZINC000436379744 981337268 /nfs/dbraw/zinc/33/72/68/981337268.db2.gz RVHDHONZNIQELI-JOCHJYFZSA-N 2 1 422.573 3.519 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000448206414 981618704 /nfs/dbraw/zinc/61/87/04/981618704.db2.gz UZAMBXSHPHUXIZ-IZIIKQMZSA-N 2 1 410.606 3.870 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Cc1ccccc1 ZINC000448214364 981628474 /nfs/dbraw/zinc/62/84/74/981628474.db2.gz SKJAIBFBDZCKAS-NHTMILBNSA-N 2 1 412.622 3.598 20 0 HHADMP C[C@@H]1CCCN(Cc2csc(NC(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2)C1 ZINC000448235345 981644805 /nfs/dbraw/zinc/64/48/05/981644805.db2.gz WQGQQZNRUWGTQA-FUHIMQAGSA-N 2 1 417.623 3.856 20 0 HHADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448410871 981762834 /nfs/dbraw/zinc/76/28/34/981762834.db2.gz QODYRXIYBAKHNU-SIKLNZKXSA-N 2 1 414.619 3.716 20 0 HHADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448410871 981762837 /nfs/dbraw/zinc/76/28/37/981762837.db2.gz QODYRXIYBAKHNU-SIKLNZKXSA-N 2 1 414.619 3.716 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000448467387 981804568 /nfs/dbraw/zinc/80/45/68/981804568.db2.gz QHMCCIJFVPYCJN-JOCHJYFZSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000448475857 981818838 /nfs/dbraw/zinc/81/88/38/981818838.db2.gz WSIMCWXPAFJXGA-JTHBVZDNSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000448475857 981818856 /nfs/dbraw/zinc/81/88/56/981818856.db2.gz WSIMCWXPAFJXGA-JTHBVZDNSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000448475857 981818876 /nfs/dbraw/zinc/81/88/76/981818876.db2.gz WSIMCWXPAFJXGA-JTHBVZDNSA-N 2 1 400.611 3.660 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccc(F)cc1 ZINC000460100035 981875975 /nfs/dbraw/zinc/87/59/75/981875975.db2.gz CSSYRHQVXRPJNI-AOHZBQACSA-N 2 1 424.564 3.592 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000460171632 981943042 /nfs/dbraw/zinc/94/30/42/981943042.db2.gz XBOGKMBPXIFDQY-GMKZXUHWSA-N 2 1 412.622 3.662 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000460171632 981943044 /nfs/dbraw/zinc/94/30/44/981943044.db2.gz XBOGKMBPXIFDQY-GMKZXUHWSA-N 2 1 412.622 3.662 20 0 HHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000460171632 981943048 /nfs/dbraw/zinc/94/30/48/981943048.db2.gz XBOGKMBPXIFDQY-GMKZXUHWSA-N 2 1 412.622 3.662 20 0 HHADMP O=C(NCCCCC[NH+]1CCCCC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000460319293 982097015 /nfs/dbraw/zinc/09/70/15/982097015.db2.gz NRWAHSAMDZCSLW-ZEQRLZLVSA-N 2 1 412.622 3.806 20 0 HHADMP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000437573634 982205412 /nfs/dbraw/zinc/20/54/12/982205412.db2.gz BYQJZDWMBXVVHX-LJQANCHMSA-N 2 1 422.017 3.820 20 0 HHADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000437644371 982263831 /nfs/dbraw/zinc/26/38/31/982263831.db2.gz VYFZRYGHGGHVEX-LADGPHEKSA-N 2 1 412.622 3.647 20 0 HHADMP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000437644371 982263835 /nfs/dbraw/zinc/26/38/35/982263835.db2.gz VYFZRYGHGGHVEX-LADGPHEKSA-N 2 1 412.622 3.647 20 0 HHADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000437644371 982263845 /nfs/dbraw/zinc/26/38/45/982263845.db2.gz VYFZRYGHGGHVEX-LADGPHEKSA-N 2 1 412.622 3.647 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1F ZINC000460553201 982339054 /nfs/dbraw/zinc/33/90/54/982339054.db2.gz WYGSCUIESVVBLI-JTHBVZDNSA-N 2 1 424.564 3.551 20 0 HHADMP CCOC(=O)Cn1nc(C)c(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1C ZINC000438087415 982580631 /nfs/dbraw/zinc/58/06/31/982580631.db2.gz LEKISBRIQHHZSL-GOSISDBHSA-N 2 1 412.578 3.727 20 0 HHADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000438097864 982586530 /nfs/dbraw/zinc/58/65/30/982586530.db2.gz USUXFYSUQMTOGL-FQEVSTJZSA-N 2 1 402.608 3.621 20 0 HHADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000438097864 982586533 /nfs/dbraw/zinc/58/65/33/982586533.db2.gz USUXFYSUQMTOGL-FQEVSTJZSA-N 2 1 402.608 3.621 20 0 HHADMP COCC[N@@H+](C)CCCC1CCN(C(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)CC1 ZINC000438159167 982622187 /nfs/dbraw/zinc/62/21/87/982622187.db2.gz YAVZMBLHJSYYFR-QHCPKHFHSA-N 2 1 422.658 3.564 20 0 HHADMP COCC[NH+](C)CCCC1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000438159167 982622191 /nfs/dbraw/zinc/62/21/91/982622191.db2.gz YAVZMBLHJSYYFR-QHCPKHFHSA-N 2 1 422.658 3.564 20 0 HHADMP COCC[NH+](C)CCCC1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000438159167 982622202 /nfs/dbraw/zinc/62/22/02/982622202.db2.gz YAVZMBLHJSYYFR-QHCPKHFHSA-N 2 1 422.658 3.564 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccnc(Oc2ccccc2)c1 ZINC000438502557 982843915 /nfs/dbraw/zinc/84/39/15/982843915.db2.gz CLRQYARVMVHFPE-HXUWFJFHSA-N 2 1 411.550 3.754 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1CC(F)(F)F ZINC000438635010 982954294 /nfs/dbraw/zinc/95/42/94/982954294.db2.gz ZTWAZBDKSQEIAA-QGZVFWFLSA-N 2 1 400.489 3.671 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000438837232 983105928 /nfs/dbraw/zinc/10/59/28/983105928.db2.gz INCGRXULOBEVBV-HXUWFJFHSA-N 2 1 423.605 3.947 20 0 HHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000438864268 983129815 /nfs/dbraw/zinc/12/98/15/983129815.db2.gz JOCLGXNKGOIQAE-KNQAVFIVSA-N 2 1 401.599 3.561 20 0 HHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000438865652 983130567 /nfs/dbraw/zinc/13/05/67/983130567.db2.gz RZHPEHZIJSNONN-WOJBJXKFSA-N 2 1 415.626 3.807 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(=O)NCc1ccccc1F ZINC000439595239 983464822 /nfs/dbraw/zinc/46/48/22/983464822.db2.gz JGFWWQGEBSXVQG-GOSISDBHSA-N 2 1 409.505 3.845 20 0 HHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000439765069 983529494 /nfs/dbraw/zinc/52/94/94/983529494.db2.gz DRKCYOLPWHJVDG-REWPJTCUSA-N 2 1 406.574 3.635 20 0 HHADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCc3ccccc3[C@@H](c3ccccc3)[C@@H]2C)CC1 ZINC000441057626 984047479 /nfs/dbraw/zinc/04/74/79/984047479.db2.gz AHRBZVQMDVVHEG-RXFWQSSRSA-N 2 1 405.586 3.666 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCC(=O)Nc1c(Cl)cccc1Cl ZINC000441252891 984139684 /nfs/dbraw/zinc/13/96/84/984139684.db2.gz GZYDKDGXHWNTGZ-COXVUDFISA-N 2 1 400.350 3.506 20 0 HHADMP C[N@H+]1CCN(CC[NH2+]Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)CC1(C)C ZINC000441382136 984221190 /nfs/dbraw/zinc/22/11/90/984221190.db2.gz NGXQKLKBLIIMKO-UHFFFAOYSA-N 2 1 418.029 3.939 20 0 HHADMP O=C(CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Br)cc1F ZINC000441400478 984231986 /nfs/dbraw/zinc/23/19/86/984231986.db2.gz LJDZWPZAVWQOHJ-KUHUBIRLSA-N 2 1 424.358 3.866 20 0 HHADMP O=C(CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Br)cc1F ZINC000441400478 984231991 /nfs/dbraw/zinc/23/19/91/984231991.db2.gz LJDZWPZAVWQOHJ-KUHUBIRLSA-N 2 1 424.358 3.866 20 0 HHADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(Br)cc1F ZINC000441400478 984231995 /nfs/dbraw/zinc/23/19/95/984231995.db2.gz LJDZWPZAVWQOHJ-KUHUBIRLSA-N 2 1 424.358 3.866 20 0 HHADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(Br)cc1F ZINC000441400478 984232004 /nfs/dbraw/zinc/23/20/04/984232004.db2.gz LJDZWPZAVWQOHJ-KUHUBIRLSA-N 2 1 424.358 3.866 20 0 HHADMP C[NH+](C)CC1CCC(NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000441533589 984308190 /nfs/dbraw/zinc/30/81/90/984308190.db2.gz NLKIHOZFPMWDIS-UHFFFAOYSA-N 2 1 400.611 3.660 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCC(F)(F)c1ccccc1 ZINC000462223077 985203538 /nfs/dbraw/zinc/20/35/38/985203538.db2.gz HIUFQICKSCVHBL-UHFFFAOYSA-N 2 1 422.564 3.616 20 0 HHADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000442874812 985254305 /nfs/dbraw/zinc/25/43/05/985254305.db2.gz NYLCEDXCBVMHFA-ZDUSSCGKSA-N 2 1 407.452 3.566 20 0 HHADMP Cc1cc(CNC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc(N2CCCC2)[nH+]1 ZINC000462279694 985268621 /nfs/dbraw/zinc/26/86/21/985268621.db2.gz NXWLTNUBSKNZPO-QHCPKHFHSA-N 2 1 421.589 3.796 20 0 HHADMP Cc1cc(CNC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(N2CCCC2)[nH+]1 ZINC000462279694 985268629 /nfs/dbraw/zinc/26/86/29/985268629.db2.gz NXWLTNUBSKNZPO-QHCPKHFHSA-N 2 1 421.589 3.796 20 0 HHADMP CC[NH+]1CCN(c2ccc(-c3noc([C@H](C)[N@H+]4[C@H](C)CC[C@@H]4C)n3)cc2F)CC1 ZINC000443190323 985434714 /nfs/dbraw/zinc/43/47/14/985434714.db2.gz BDEWCVNYSCQGGZ-BBWFWOEESA-N 2 1 401.530 3.951 20 0 HHADMP CC[NH+]1CCN(c2ccc(-c3noc([C@H](C)[N@@H+]4[C@H](C)CC[C@@H]4C)n3)cc2F)CC1 ZINC000443190323 985434720 /nfs/dbraw/zinc/43/47/20/985434720.db2.gz BDEWCVNYSCQGGZ-BBWFWOEESA-N 2 1 401.530 3.951 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000462520337 985470299 /nfs/dbraw/zinc/47/02/99/985470299.db2.gz HDTDJCAZWWLAFN-YADARESESA-N 2 1 424.564 3.610 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000462532005 985480689 /nfs/dbraw/zinc/48/06/89/985480689.db2.gz XZPJQMQMJKICHY-YKSBVNFPSA-N 2 1 406.574 3.602 20 0 HHADMP CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C1(C)C ZINC000463015381 985970398 /nfs/dbraw/zinc/97/03/98/985970398.db2.gz WZIACWMBCMAXBR-PKTZIBPZSA-N 2 1 404.595 3.858 20 0 HHADMP C[C@@H]1C[N@H+](C)C[C@H]1c1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000463058464 986016205 /nfs/dbraw/zinc/01/62/05/986016205.db2.gz UZGPACHFFCRSAZ-WZONZLPQSA-N 2 1 418.541 3.901 20 0 HHADMP C[C@@H]1C[N@@H+](C)C[C@H]1c1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000463058464 986016217 /nfs/dbraw/zinc/01/62/17/986016217.db2.gz UZGPACHFFCRSAZ-WZONZLPQSA-N 2 1 418.541 3.901 20 0 HHADMP C[C@H]1C[N@H+](C)C[C@H]1c1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000463058459 986016465 /nfs/dbraw/zinc/01/64/65/986016465.db2.gz UZGPACHFFCRSAZ-FDDCHVKYSA-N 2 1 418.541 3.901 20 0 HHADMP C[C@H]1C[N@@H+](C)C[C@H]1c1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000463058459 986016474 /nfs/dbraw/zinc/01/64/74/986016474.db2.gz UZGPACHFFCRSAZ-FDDCHVKYSA-N 2 1 418.541 3.901 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Cc1cccc(C(F)F)c1 ZINC000468329792 986025076 /nfs/dbraw/zinc/02/50/76/986025076.db2.gz UACRNEXYZNMSDQ-UHFFFAOYSA-N 2 1 407.549 3.821 20 0 HHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCc3cc(F)cc4c3OCOC4)CC2)cc1 ZINC000463110429 986072635 /nfs/dbraw/zinc/07/26/35/986072635.db2.gz BSCFVOVUTSEWHI-UHFFFAOYSA-N 2 1 402.485 3.671 20 0 HHADMP COCC[N@H+](C)CC[C@@H]([NH2+]C1CCN(c2nc(C)cs2)CC1)c1ccccc1 ZINC000463112994 986075090 /nfs/dbraw/zinc/07/50/90/986075090.db2.gz XJJCCAIIHLKKGU-OAQYLSRUSA-N 2 1 402.608 3.720 20 0 HHADMP COCC[N@@H+](C)CC[C@@H]([NH2+]C1CCN(c2nc(C)cs2)CC1)c1ccccc1 ZINC000463112994 986075094 /nfs/dbraw/zinc/07/50/94/986075094.db2.gz XJJCCAIIHLKKGU-OAQYLSRUSA-N 2 1 402.608 3.720 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463144626 986114130 /nfs/dbraw/zinc/11/41/30/986114130.db2.gz KWHIYVJPGYJFFW-RCXJIHSJSA-N 2 1 407.602 3.573 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000463144626 986114135 /nfs/dbraw/zinc/11/41/35/986114135.db2.gz KWHIYVJPGYJFFW-RCXJIHSJSA-N 2 1 407.602 3.573 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2)CN2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463144628 986114210 /nfs/dbraw/zinc/11/42/10/986114210.db2.gz KWHIYVJPGYJFFW-ZSQFBXSQSA-N 2 1 407.602 3.573 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2)CN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000463144628 986114213 /nfs/dbraw/zinc/11/42/13/986114213.db2.gz KWHIYVJPGYJFFW-ZSQFBXSQSA-N 2 1 407.602 3.573 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@H]3c3ccc(F)cc3)c2)C1 ZINC000468430616 986128949 /nfs/dbraw/zinc/12/89/49/986128949.db2.gz RWIIGBZTVXVORJ-NHTMILBNSA-N 2 1 409.549 3.949 20 0 HHADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)CC[N@H+]1Cc1ccccc1 ZINC000463189732 986161537 /nfs/dbraw/zinc/16/15/37/986161537.db2.gz KPJINYNAMUJVFK-DMKHAHDWSA-N 2 1 407.602 3.512 20 0 HHADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC[NH+]1Cc1ccccc1 ZINC000463189732 986161543 /nfs/dbraw/zinc/16/15/43/986161543.db2.gz KPJINYNAMUJVFK-DMKHAHDWSA-N 2 1 407.602 3.512 20 0 HHADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC[NH+]1Cc1ccccc1 ZINC000463189732 986161549 /nfs/dbraw/zinc/16/15/49/986161549.db2.gz KPJINYNAMUJVFK-DMKHAHDWSA-N 2 1 407.602 3.512 20 0 HHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000463241897 986210060 /nfs/dbraw/zinc/21/00/60/986210060.db2.gz DTJWDCZHDJQLSX-UHFFFAOYSA-N 2 1 416.161 3.869 20 0 HHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCCCn3cc(Br)cn3)CC2)cc1 ZINC000463245276 986213190 /nfs/dbraw/zinc/21/31/90/986213190.db2.gz RAMHOOVIRNELLK-UHFFFAOYSA-N 2 1 423.374 3.862 20 0 HHADMP C[C@H]1[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC(=O)N1Cc1ccccc1 ZINC000463247029 986215992 /nfs/dbraw/zinc/21/59/92/986215992.db2.gz SXNVBRZSUQRYSN-CYFREDJKSA-N 2 1 409.549 3.612 20 0 HHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444201684 986381289 /nfs/dbraw/zinc/38/12/89/986381289.db2.gz CLESYOXIVBLYPP-NRFANRHFSA-N 2 1 409.578 3.626 20 0 HHADMP CC[NH+](Cc1cc(Br)ccc1C[N@H+](CC)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000463447631 986427742 /nfs/dbraw/zinc/42/77/42/986427742.db2.gz ZQVGRUYCIZJGGB-UXHICEINSA-N 2 1 411.384 3.671 20 0 HHADMP CC[NH+](Cc1ccc(Br)cc1C[N@H+](CC)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000463447631 986427746 /nfs/dbraw/zinc/42/77/46/986427746.db2.gz ZQVGRUYCIZJGGB-UXHICEINSA-N 2 1 411.384 3.671 20 0 HHADMP CC[NH+](Cc1ccc(Br)cc1C[N@@H+](CC)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000463447631 986427750 /nfs/dbraw/zinc/42/77/50/986427750.db2.gz ZQVGRUYCIZJGGB-UXHICEINSA-N 2 1 411.384 3.671 20 0 HHADMP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000468764276 986478199 /nfs/dbraw/zinc/47/81/99/986478199.db2.gz ASIQBJCVXDJHNG-UHFFFAOYSA-N 2 1 417.435 3.548 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)c1ccco1 ZINC000468764057 986478235 /nfs/dbraw/zinc/47/82/35/986478235.db2.gz AOAZGESRWPCZHR-MRXNPFEDSA-N 2 1 403.433 3.611 20 0 HHADMP CC[C@H]1CCCC[C@@H]1OCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000463567041 986544053 /nfs/dbraw/zinc/54/40/53/986544053.db2.gz DNJIRFAWRFWPKA-GMAHTHKFSA-N 2 1 407.643 3.627 20 0 HHADMP Cc1cc(NC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n(C2CC[NH+](C)CC2)n1 ZINC000444432394 986617144 /nfs/dbraw/zinc/61/71/44/986617144.db2.gz NTWUVYJZXQQPMI-KRWDZBQOSA-N 2 1 421.549 3.835 20 0 HHADMP CC[N@H+]1CC[C@H]([NH2+]CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@H](C)C1 ZINC000469039537 986749354 /nfs/dbraw/zinc/74/93/54/986749354.db2.gz PIFXHPNKOJVCBI-NQIIRXRSSA-N 2 1 412.544 3.537 20 0 HHADMP O=C(Nc1cccc(Br)c1)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000444621864 986807474 /nfs/dbraw/zinc/80/74/74/986807474.db2.gz TVDPMOBHAFMNLH-UHFFFAOYSA-N 2 1 408.384 3.976 20 0 HHADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000469271390 986990261 /nfs/dbraw/zinc/99/02/61/986990261.db2.gz QPWAVXOOGQTAAE-XZOQPEGZSA-N 2 1 422.960 3.877 20 0 HHADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000469271390 986990264 /nfs/dbraw/zinc/99/02/64/986990264.db2.gz QPWAVXOOGQTAAE-XZOQPEGZSA-N 2 1 422.960 3.877 20 0 HHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000469433556 987120293 /nfs/dbraw/zinc/12/02/93/987120293.db2.gz FYJTXBKSPLQFPF-XMMPIXPASA-N 2 1 423.605 3.502 20 0 HHADMP CC(C)CC[NH+]1CCC(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CC1 ZINC000469528529 987203232 /nfs/dbraw/zinc/20/32/32/987203232.db2.gz FPBOBUBHQQYAQC-UHFFFAOYSA-N 2 1 405.493 3.693 20 0 HHADMP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000469673640 987331022 /nfs/dbraw/zinc/33/10/22/987331022.db2.gz FXYFKFCJWMUKTP-UHFFFAOYSA-N 2 1 413.472 3.845 20 0 HHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000469673640 987331025 /nfs/dbraw/zinc/33/10/25/987331025.db2.gz FXYFKFCJWMUKTP-UHFFFAOYSA-N 2 1 413.472 3.845 20 0 HHADMP COc1ccccc1[C@@H](C)N(C)C(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000469764595 987417294 /nfs/dbraw/zinc/41/72/94/987417294.db2.gz OQXIUPKTEAUYOK-MAUQACMESA-N 2 1 423.601 3.961 20 0 HHADMP COc1ccccc1[C@@H](C)N(C)C(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000469764595 987417299 /nfs/dbraw/zinc/41/72/99/987417299.db2.gz OQXIUPKTEAUYOK-MAUQACMESA-N 2 1 423.601 3.961 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000469768130 987420688 /nfs/dbraw/zinc/42/06/88/987420688.db2.gz JMBFTBWQIJHJKU-LDEHJYGBSA-N 2 1 409.618 3.818 20 0 HHADMP CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000469770172 987421917 /nfs/dbraw/zinc/42/19/17/987421917.db2.gz TTWGMGIJKNYZEA-FZWXVRBQSA-N 2 1 411.565 3.920 20 0 HHADMP CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000469770172 987421920 /nfs/dbraw/zinc/42/19/20/987421920.db2.gz TTWGMGIJKNYZEA-FZWXVRBQSA-N 2 1 411.565 3.920 20 0 HHADMP Cc1cc(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)n(C(C)(C)C)n1 ZINC000469775289 987425099 /nfs/dbraw/zinc/42/50/99/987425099.db2.gz LAVCJISBGGBBLA-CYGODWOOSA-N 2 1 411.594 3.631 20 0 HHADMP Cc1cc(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)n(C(C)(C)C)n1 ZINC000469775289 987425102 /nfs/dbraw/zinc/42/51/02/987425102.db2.gz LAVCJISBGGBBLA-CYGODWOOSA-N 2 1 411.594 3.631 20 0 HHADMP Cc1cccc(NC(=O)NC(=O)C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000469775332 987425541 /nfs/dbraw/zinc/42/55/41/987425541.db2.gz KRUQHSAWVHPYRP-HROJSSOGSA-N 2 1 422.573 3.698 20 0 HHADMP Cc1cccc(NC(=O)NC(=O)C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000469775332 987425546 /nfs/dbraw/zinc/42/55/46/987425546.db2.gz KRUQHSAWVHPYRP-HROJSSOGSA-N 2 1 422.573 3.698 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCCCOC1CCCCC1 ZINC000469776601 987425648 /nfs/dbraw/zinc/42/56/48/987425648.db2.gz RKZMKZMICUUWJW-ZZYHAFTGSA-N 2 1 415.622 3.588 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCCCOC1CCCCC1 ZINC000469776601 987425655 /nfs/dbraw/zinc/42/56/55/987425655.db2.gz RKZMKZMICUUWJW-ZZYHAFTGSA-N 2 1 415.622 3.588 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)[C@@H](C)C1 ZINC000469789607 987434330 /nfs/dbraw/zinc/43/43/30/987434330.db2.gz ZDBMTYHEPHUHSG-PXCRPINLSA-N 2 1 415.578 3.725 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)[C@@H](C)C1 ZINC000469789607 987434334 /nfs/dbraw/zinc/43/43/34/987434334.db2.gz ZDBMTYHEPHUHSG-PXCRPINLSA-N 2 1 415.578 3.725 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)[C@@H](C)C1 ZINC000469789328 987434587 /nfs/dbraw/zinc/43/45/87/987434587.db2.gz XZMFWZQQKGUSAI-IHPCNDPISA-N 2 1 407.986 3.562 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)[C@@H](C)C1 ZINC000469789328 987434591 /nfs/dbraw/zinc/43/45/91/987434591.db2.gz XZMFWZQQKGUSAI-IHPCNDPISA-N 2 1 407.986 3.562 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)C1 ZINC000469866698 987503281 /nfs/dbraw/zinc/50/32/81/987503281.db2.gz RBCMNKCDJZHZFO-QTEQDKRBSA-N 2 1 409.578 3.908 20 0 HHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Br)cc(Br)c2N)[C@@H](C)C1 ZINC000469959639 987580265 /nfs/dbraw/zinc/58/02/65/987580265.db2.gz NJOQDDOOHOVBKW-NHYWBVRUSA-N 2 1 419.205 3.956 20 0 HHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Br)cc(Br)c2N)[C@@H](C)C1 ZINC000469959639 987580269 /nfs/dbraw/zinc/58/02/69/987580269.db2.gz NJOQDDOOHOVBKW-NHYWBVRUSA-N 2 1 419.205 3.956 20 0 HHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Br)cc(Br)c2N)[C@@H](C)C1 ZINC000469959639 987580278 /nfs/dbraw/zinc/58/02/78/987580278.db2.gz NJOQDDOOHOVBKW-NHYWBVRUSA-N 2 1 419.205 3.956 20 0 HHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Br)cc(Br)c2N)[C@@H](C)C1 ZINC000469959639 987580282 /nfs/dbraw/zinc/58/02/82/987580282.db2.gz NJOQDDOOHOVBKW-NHYWBVRUSA-N 2 1 419.205 3.956 20 0 HHADMP O=C(C[NH2+][C@@H](c1cccnc1)C1CC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000445769087 987831595 /nfs/dbraw/zinc/83/15/95/987831595.db2.gz SZFHCAKUFPYSAF-JTHBVZDNSA-N 2 1 412.965 3.729 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000470154591 988064495 /nfs/dbraw/zinc/06/44/95/988064495.db2.gz IXSPWMQRYDEUAC-IRXDYDNUSA-N 2 1 412.456 3.503 20 0 HHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000470216220 988142269 /nfs/dbraw/zinc/14/22/69/988142269.db2.gz PXJWUAJDEYGBAR-LJQANCHMSA-N 2 1 406.368 3.930 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1 ZINC000470279396 988234523 /nfs/dbraw/zinc/23/45/23/988234523.db2.gz KKWHRVNOQXTDJZ-APWZRJJASA-N 2 1 414.516 3.681 20 0 HHADMP Cc1cccc(S(=O)(=O)CCC[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000464483822 988654716 /nfs/dbraw/zinc/65/47/16/988654716.db2.gz ZRHFUMXAZYQJQS-UHFFFAOYSA-N 2 1 415.603 3.792 20 0 HHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470738671 988776344 /nfs/dbraw/zinc/77/63/44/988776344.db2.gz XACRDVLMOBIEOE-UNMCSNQZSA-N 2 1 412.622 3.934 20 0 HHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470738671 988776357 /nfs/dbraw/zinc/77/63/57/988776357.db2.gz XACRDVLMOBIEOE-UNMCSNQZSA-N 2 1 412.622 3.934 20 0 HHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470738671 988776367 /nfs/dbraw/zinc/77/63/67/988776367.db2.gz XACRDVLMOBIEOE-UNMCSNQZSA-N 2 1 412.622 3.934 20 0 HHADMP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@H](C[N@@H+](C)CC4CC4)C3)cc2)CC1 ZINC000470754597 988796745 /nfs/dbraw/zinc/79/67/45/988796745.db2.gz IRZBJAVNKMLJIB-XMMPIXPASA-N 2 1 412.622 3.792 20 0 HHADMP CN(C(=O)NCCCCC[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470897160 988970191 /nfs/dbraw/zinc/97/01/91/988970191.db2.gz LVLQATIAZDDVAD-HSZRJFAPSA-N 2 1 400.611 3.949 20 0 HHADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000464781618 989008474 /nfs/dbraw/zinc/00/84/74/989008474.db2.gz TZRHTPKXKAGFNB-GDBMZVCRSA-N 2 1 419.791 3.506 20 0 HHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000464781618 989008482 /nfs/dbraw/zinc/00/84/82/989008482.db2.gz TZRHTPKXKAGFNB-GDBMZVCRSA-N 2 1 419.791 3.506 20 0 HHADMP C[C@@H](OC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000470998560 989064994 /nfs/dbraw/zinc/06/49/94/989064994.db2.gz YWPLWUGBPQKUQQ-MWIHYIROSA-N 2 1 414.977 3.842 20 0 HHADMP C[C@@H](OC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000470998560 989065007 /nfs/dbraw/zinc/06/50/07/989065007.db2.gz YWPLWUGBPQKUQQ-MWIHYIROSA-N 2 1 414.977 3.842 20 0 HHADMP C[C@@H](OC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000470998560 989065019 /nfs/dbraw/zinc/06/50/19/989065019.db2.gz YWPLWUGBPQKUQQ-MWIHYIROSA-N 2 1 414.977 3.842 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000464830835 989071614 /nfs/dbraw/zinc/07/16/14/989071614.db2.gz MPJWFGCNURPBCP-PMACEKPBSA-N 2 1 406.640 3.798 20 0 HHADMP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000471011622 989080606 /nfs/dbraw/zinc/08/06/06/989080606.db2.gz ZYTASBMGZZHMQK-KDURUIRLSA-N 2 1 413.949 3.741 20 0 HHADMP COc1ccc(Cl)cc1NC(=O)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471011622 989080616 /nfs/dbraw/zinc/08/06/16/989080616.db2.gz ZYTASBMGZZHMQK-KDURUIRLSA-N 2 1 413.949 3.741 20 0 HHADMP COc1ccc(Cl)cc1NC(=O)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471011622 989080626 /nfs/dbraw/zinc/08/06/26/989080626.db2.gz ZYTASBMGZZHMQK-KDURUIRLSA-N 2 1 413.949 3.741 20 0 HHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000471017590 989087880 /nfs/dbraw/zinc/08/78/80/989087880.db2.gz FRUZEFVGKYUVJM-FQEVSTJZSA-N 2 1 407.558 3.910 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000471017590 989087886 /nfs/dbraw/zinc/08/78/86/989087886.db2.gz FRUZEFVGKYUVJM-FQEVSTJZSA-N 2 1 407.558 3.910 20 0 HHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000471017590 989087894 /nfs/dbraw/zinc/08/78/94/989087894.db2.gz FRUZEFVGKYUVJM-FQEVSTJZSA-N 2 1 407.558 3.910 20 0 HHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000471017590 989087898 /nfs/dbraw/zinc/08/78/98/989087898.db2.gz FRUZEFVGKYUVJM-FQEVSTJZSA-N 2 1 407.558 3.910 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)C1 ZINC000464956219 989254033 /nfs/dbraw/zinc/25/40/33/989254033.db2.gz WWGGVCZTZNYDQT-REWPJTCUSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000464956219 989254053 /nfs/dbraw/zinc/25/40/53/989254053.db2.gz WWGGVCZTZNYDQT-REWPJTCUSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000464956219 989254061 /nfs/dbraw/zinc/25/40/61/989254061.db2.gz WWGGVCZTZNYDQT-REWPJTCUSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)C1 ZINC000464956216 989254571 /nfs/dbraw/zinc/25/45/71/989254571.db2.gz WWGGVCZTZNYDQT-NZQKXSOJSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000464956216 989254582 /nfs/dbraw/zinc/25/45/82/989254582.db2.gz WWGGVCZTZNYDQT-NZQKXSOJSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000464956216 989254593 /nfs/dbraw/zinc/25/45/93/989254593.db2.gz WWGGVCZTZNYDQT-NZQKXSOJSA-N 2 1 400.611 3.838 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[NH+](CC(C)C)C1 ZINC000465076694 989396609 /nfs/dbraw/zinc/39/66/09/989396609.db2.gz FDYMLEIDPASGIC-PKTZIBPZSA-N 2 1 400.611 3.518 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000465076694 989396617 /nfs/dbraw/zinc/39/66/17/989396617.db2.gz FDYMLEIDPASGIC-PKTZIBPZSA-N 2 1 400.611 3.518 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000465076694 989396628 /nfs/dbraw/zinc/39/66/28/989396628.db2.gz FDYMLEIDPASGIC-PKTZIBPZSA-N 2 1 400.611 3.518 20 0 HHADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccccc3OCC[NH+](C)C)cc2)C1 ZINC000465185716 989521382 /nfs/dbraw/zinc/52/13/82/989521382.db2.gz NSAYDFPNBHAEFD-LJQANCHMSA-N 2 1 411.546 3.600 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)C1 ZINC000465416865 989762970 /nfs/dbraw/zinc/76/29/70/989762970.db2.gz YFVAFOFYKUUETD-NZQKXSOJSA-N 2 1 416.610 3.596 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)C1 ZINC000465416867 989763226 /nfs/dbraw/zinc/76/32/26/989763226.db2.gz YFVAFOFYKUUETD-REWPJTCUSA-N 2 1 416.610 3.596 20 0 HHADMP C[C@@H]1CCN(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000465419393 989764692 /nfs/dbraw/zinc/76/46/92/989764692.db2.gz AXCMTPOHJMDEAW-AUSIDOKSSA-N 2 1 412.553 3.734 20 0 HHADMP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471603882 989807858 /nfs/dbraw/zinc/80/78/58/989807858.db2.gz VJWZAPFYUQHIKB-GVAUOCQISA-N 2 1 418.585 3.597 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000465520432 989872871 /nfs/dbraw/zinc/87/28/71/989872871.db2.gz AQIBECYJLLSFHN-NQIIRXRSSA-N 2 1 407.002 3.850 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000465521152 989873871 /nfs/dbraw/zinc/87/38/71/989873871.db2.gz AQIBECYJLLSFHN-RXVVDRJESA-N 2 1 407.002 3.850 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465534353 989895990 /nfs/dbraw/zinc/89/59/90/989895990.db2.gz PZWZLRNASAZTAL-FUPPJEDESA-N 2 1 400.611 3.518 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465534353 989895996 /nfs/dbraw/zinc/89/59/96/989895996.db2.gz PZWZLRNASAZTAL-FUPPJEDESA-N 2 1 400.611 3.518 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465534353 989896003 /nfs/dbraw/zinc/89/60/03/989896003.db2.gz PZWZLRNASAZTAL-FUPPJEDESA-N 2 1 400.611 3.518 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCC[C@H](C)C2)C1 ZINC000465558322 989923201 /nfs/dbraw/zinc/92/32/01/989923201.db2.gz OPQYAIVNLCCZQU-SFTDATJTSA-N 2 1 400.611 3.792 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000465558322 989923211 /nfs/dbraw/zinc/92/32/11/989923211.db2.gz OPQYAIVNLCCZQU-SFTDATJTSA-N 2 1 400.611 3.792 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)C1 ZINC000465558322 989923220 /nfs/dbraw/zinc/92/32/20/989923220.db2.gz OPQYAIVNLCCZQU-SFTDATJTSA-N 2 1 400.611 3.792 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000465569426 989937571 /nfs/dbraw/zinc/93/75/71/989937571.db2.gz MXJJMQVGBSEWQE-QFIPXVFZSA-N 2 1 400.611 3.660 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000465584148 989956500 /nfs/dbraw/zinc/95/65/00/989956500.db2.gz ZMADSZVTBQLJGP-FQEVSTJZSA-N 2 1 400.611 3.982 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000465609377 989992017 /nfs/dbraw/zinc/99/20/17/989992017.db2.gz UFQFGHITXLLGSU-CTNGQTDRSA-N 2 1 406.640 3.942 20 0 HHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000465623324 990008480 /nfs/dbraw/zinc/00/84/80/990008480.db2.gz FVEPEYRFWQQPHX-NRFANRHFSA-N 2 1 407.002 3.820 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000465739400 990124962 /nfs/dbraw/zinc/12/49/62/990124962.db2.gz DZVPRWBAKBPJLE-GBEXAXCTSA-N 2 1 414.638 3.906 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465745797 990130941 /nfs/dbraw/zinc/13/09/41/990130941.db2.gz GHGLDOSEIMVZPB-NMVJMZGASA-N 2 1 420.601 3.985 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465745797 990130948 /nfs/dbraw/zinc/13/09/48/990130948.db2.gz GHGLDOSEIMVZPB-NMVJMZGASA-N 2 1 420.601 3.985 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465745797 990130953 /nfs/dbraw/zinc/13/09/53/990130953.db2.gz GHGLDOSEIMVZPB-NMVJMZGASA-N 2 1 420.601 3.985 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472001179 990169459 /nfs/dbraw/zinc/16/94/59/990169459.db2.gz GIXPNVVXDDWLLA-NQHRYMMQSA-N 2 1 420.601 3.718 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472001179 990169470 /nfs/dbraw/zinc/16/94/70/990169470.db2.gz GIXPNVVXDDWLLA-NQHRYMMQSA-N 2 1 420.601 3.718 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472001179 990169480 /nfs/dbraw/zinc/16/94/80/990169480.db2.gz GIXPNVVXDDWLLA-NQHRYMMQSA-N 2 1 420.601 3.718 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472001180 990169604 /nfs/dbraw/zinc/16/96/04/990169604.db2.gz GIXPNVVXDDWLLA-SDUSCBPUSA-N 2 1 420.601 3.718 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472001180 990169608 /nfs/dbraw/zinc/16/96/08/990169608.db2.gz GIXPNVVXDDWLLA-SDUSCBPUSA-N 2 1 420.601 3.718 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472001180 990169613 /nfs/dbraw/zinc/16/96/13/990169613.db2.gz GIXPNVVXDDWLLA-SDUSCBPUSA-N 2 1 420.601 3.718 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)c1ccco1 ZINC000465816774 990199995 /nfs/dbraw/zinc/19/99/95/990199995.db2.gz QOMPIPPTCAWZJW-IFMALSPDSA-N 2 1 412.578 3.969 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000465822679 990206124 /nfs/dbraw/zinc/20/61/24/990206124.db2.gz ZJYLWSBOTVJSLQ-HSZRJFAPSA-N 2 1 400.611 3.936 20 0 HHADMP Cc1ccc2[nH]c(C[NH2+]Cc3cccc(NC(=O)CC[NH+]4CCOCC4)c3)cc2c1C ZINC000472064851 990226878 /nfs/dbraw/zinc/22/68/78/990226878.db2.gz UVVIZEYJBJSONH-UHFFFAOYSA-N 2 1 420.557 3.735 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000465866415 990977814 /nfs/dbraw/zinc/97/78/14/990977814.db2.gz WDSMPGJGBJXBDI-DLBZAZTESA-N 2 1 409.644 3.559 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC[N@@H+]1C ZINC000465878861 990996264 /nfs/dbraw/zinc/99/62/64/990996264.db2.gz YAPPDTDSLFPCOP-YOEHRIQHSA-N 2 1 413.393 3.740 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC[N@H+]1C ZINC000465878861 990996276 /nfs/dbraw/zinc/99/62/76/990996276.db2.gz YAPPDTDSLFPCOP-YOEHRIQHSA-N 2 1 413.393 3.740 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000465932750 991068630 /nfs/dbraw/zinc/06/86/30/991068630.db2.gz RNOJVBBXVPYHMA-DQEYMECFSA-N 2 1 420.601 3.815 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000465932750 991068633 /nfs/dbraw/zinc/06/86/33/991068633.db2.gz RNOJVBBXVPYHMA-DQEYMECFSA-N 2 1 420.601 3.815 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000465932750 991068643 /nfs/dbraw/zinc/06/86/43/991068643.db2.gz RNOJVBBXVPYHMA-DQEYMECFSA-N 2 1 420.601 3.815 20 0 HHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000465957863 991099042 /nfs/dbraw/zinc/09/90/42/991099042.db2.gz KIYSVUPTSFOORG-UHFFFAOYSA-N 2 1 409.578 3.652 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000465959052 991101730 /nfs/dbraw/zinc/10/17/30/991101730.db2.gz RYTJBLYUURRTEP-QHCPKHFHSA-N 2 1 400.611 3.806 20 0 HHADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000465964711 991111203 /nfs/dbraw/zinc/11/12/03/991111203.db2.gz ZPPRTWIQCNBYAT-JOCHJYFZSA-N 2 1 412.578 3.975 20 0 HHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000465964711 991111208 /nfs/dbraw/zinc/11/12/08/991111208.db2.gz ZPPRTWIQCNBYAT-JOCHJYFZSA-N 2 1 412.578 3.975 20 0 HHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000465964711 991111213 /nfs/dbraw/zinc/11/12/13/991111213.db2.gz ZPPRTWIQCNBYAT-JOCHJYFZSA-N 2 1 412.578 3.975 20 0 HHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000465964711 991111215 /nfs/dbraw/zinc/11/12/15/991111215.db2.gz ZPPRTWIQCNBYAT-JOCHJYFZSA-N 2 1 412.578 3.975 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000466079415 991254342 /nfs/dbraw/zinc/25/43/42/991254342.db2.gz OWXHAXHIBKJWBA-FPOVZHCZSA-N 2 1 406.640 3.894 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)[C@H]1c1cccs1 ZINC000466079040 991254589 /nfs/dbraw/zinc/25/45/89/991254589.db2.gz OHUJHMBPZSHIGI-SBHAEUEKSA-N 2 1 404.624 3.791 20 0 HHADMP CCCN(C(=O)NC1CC[NH+](CCC)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000466088748 991267951 /nfs/dbraw/zinc/26/79/51/991267951.db2.gz BQRVKZMFBBGABF-QHCPKHFHSA-N 2 1 400.611 3.947 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C[N@H+]1Cc1ccccc1 ZINC000466532431 991832441 /nfs/dbraw/zinc/83/24/41/991832441.db2.gz ITWDBXIRVCAVIE-IEZKXTBUSA-N 2 1 420.601 3.813 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[NH+]1Cc1ccccc1 ZINC000466532431 991832455 /nfs/dbraw/zinc/83/24/55/991832455.db2.gz ITWDBXIRVCAVIE-IEZKXTBUSA-N 2 1 420.601 3.813 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[NH+]1Cc1ccccc1 ZINC000466532431 991832468 /nfs/dbraw/zinc/83/24/68/991832468.db2.gz ITWDBXIRVCAVIE-IEZKXTBUSA-N 2 1 420.601 3.813 20 0 HHADMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000466721491 992032782 /nfs/dbraw/zinc/03/27/82/992032782.db2.gz FNEJPZALGGLHRK-INIZCTEOSA-N 2 1 415.500 3.855 20 0 HHADMP O=[S@@](CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1cc(Cl)ccc1Cl ZINC000466908904 992224336 /nfs/dbraw/zinc/22/43/36/992224336.db2.gz GHFRFMXETWAHNW-SANMLTNESA-N 2 1 419.418 3.678 20 0 HHADMP C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000467086517 992391788 /nfs/dbraw/zinc/39/17/88/992391788.db2.gz UVAUSKFLYBGBSB-OFVILXPXSA-N 2 1 422.617 3.985 20 0 HHADMP CCN(C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000467087579 992393998 /nfs/dbraw/zinc/39/39/98/992393998.db2.gz ZRDVMKAYEOPOJO-XMMPIXPASA-N 2 1 408.590 3.597 20 0 HHADMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000467161464 992480134 /nfs/dbraw/zinc/48/01/34/992480134.db2.gz WKXYFAANCMGDEF-IBGZPJMESA-N 2 1 415.578 3.775 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@H](c2cncc(F)c2)C2CC2)c1)C1CCOCC1 ZINC000467347287 992667565 /nfs/dbraw/zinc/66/75/65/992667565.db2.gz NVRWYAAFKBQVON-DEOSSOPVSA-N 2 1 413.537 3.951 20 0 HHADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000467354625 992672864 /nfs/dbraw/zinc/67/28/64/992672864.db2.gz NDBXOQVHSAPDSM-TZRRMPRUSA-N 2 1 420.601 3.903 20 0 HHADMP C[N@H+]1CCCN(CCC[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000467418981 992720604 /nfs/dbraw/zinc/72/06/04/992720604.db2.gz LSXMOOIGLLOXTL-NRFANRHFSA-N 2 1 424.427 3.534 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000467848807 993081194 /nfs/dbraw/zinc/08/11/94/993081194.db2.gz FBASTIUEPPAFJW-RBUKOAKNSA-N 2 1 415.603 3.813 20 0 HHADMP C[C@H]1CCN(C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000472293780 993308670 /nfs/dbraw/zinc/30/86/70/993308670.db2.gz CAVPKTCPKAVZNP-DHLKQENFSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000472293780 993308680 /nfs/dbraw/zinc/30/86/80/993308680.db2.gz CAVPKTCPKAVZNP-DHLKQENFSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000472293780 993308687 /nfs/dbraw/zinc/30/86/87/993308687.db2.gz CAVPKTCPKAVZNP-DHLKQENFSA-N 2 1 420.601 3.815 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472319215 993330242 /nfs/dbraw/zinc/33/02/42/993330242.db2.gz UHVNQOKJJACOEK-LOSJGSFVSA-N 2 1 420.601 3.672 20 0 HHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472319215 993330245 /nfs/dbraw/zinc/33/02/45/993330245.db2.gz UHVNQOKJJACOEK-LOSJGSFVSA-N 2 1 420.601 3.672 20 0 HHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472319215 993330257 /nfs/dbraw/zinc/33/02/57/993330257.db2.gz UHVNQOKJJACOEK-LOSJGSFVSA-N 2 1 420.601 3.672 20 0 HHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2cccc(N3CCOCC3)c2)CC1 ZINC000480714893 993583844 /nfs/dbraw/zinc/58/38/44/993583844.db2.gz NSSCIPQNQBDOHU-JOCHJYFZSA-N 2 1 422.617 3.512 20 0 HHADMP Ic1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCCO2 ZINC000480743918 993610636 /nfs/dbraw/zinc/61/06/36/993610636.db2.gz IYKYLOLOZMENND-HLLBOEOZSA-N 2 1 412.315 3.721 20 0 HHADMP Ic1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CCCO2 ZINC000480743918 993610648 /nfs/dbraw/zinc/61/06/48/993610648.db2.gz IYKYLOLOZMENND-HLLBOEOZSA-N 2 1 412.315 3.721 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000480745542 993612751 /nfs/dbraw/zinc/61/27/51/993612751.db2.gz CERROHHZRQORDU-IBGZPJMESA-N 2 1 415.603 3.918 20 0 HHADMP C[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[N@H+]1C ZINC000480781101 993648275 /nfs/dbraw/zinc/64/82/75/993648275.db2.gz SPUBOKNTBMTCLB-AZUAARDMSA-N 3 1 412.544 3.680 20 0 HHADMP C[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CCN1C ZINC000480781101 993648282 /nfs/dbraw/zinc/64/82/82/993648282.db2.gz SPUBOKNTBMTCLB-AZUAARDMSA-N 2 1 412.544 3.680 20 0 HHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000480781024 993648538 /nfs/dbraw/zinc/64/85/38/993648538.db2.gz PYJAOLCKPIQLPI-ATIYNZHBSA-N 2 1 422.617 3.553 20 0 HHADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000480861144 993734000 /nfs/dbraw/zinc/73/40/00/993734000.db2.gz CTVCHMFIBGWPMF-UHFFFAOYSA-N 2 1 423.399 3.896 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000480861144 993734001 /nfs/dbraw/zinc/73/40/01/993734001.db2.gz CTVCHMFIBGWPMF-UHFFFAOYSA-N 2 1 423.399 3.896 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1 ZINC000480883272 993746333 /nfs/dbraw/zinc/74/63/33/993746333.db2.gz KJUIQKDCPJBFSI-RDPSFJRHSA-N 2 1 417.557 3.522 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1 ZINC000480883272 993746341 /nfs/dbraw/zinc/74/63/41/993746341.db2.gz KJUIQKDCPJBFSI-RDPSFJRHSA-N 2 1 417.557 3.522 20 0 HHADMP CCc1nc(C)c([C@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)s1 ZINC000480897103 993755266 /nfs/dbraw/zinc/75/52/66/993755266.db2.gz FEGRGFGKUXLODO-INIZCTEOSA-N 2 1 416.591 3.526 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)C(C)(C)c1ccccc1 ZINC000480897057 993755441 /nfs/dbraw/zinc/75/54/41/993755441.db2.gz DNJQNLUAPPMMNA-FQEVSTJZSA-N 2 1 409.574 3.803 20 0 HHADMP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)N2CCOCC2)cc1 ZINC000480906479 993762926 /nfs/dbraw/zinc/76/29/26/993762926.db2.gz BMDVODFWANFAOQ-DFCKQENNSA-N 2 1 407.602 3.869 20 0 HHADMP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)N2CCOCC2)cc1 ZINC000480906481 993763489 /nfs/dbraw/zinc/76/34/89/993763489.db2.gz BMDVODFWANFAOQ-RCXJIHSJSA-N 2 1 407.602 3.869 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)[C@H](C)C1 ZINC000480908923 993764898 /nfs/dbraw/zinc/76/48/98/993764898.db2.gz LBOAOPMONVJXQX-XXBNENTESA-N 2 1 410.562 3.561 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)[C@H](C)C1 ZINC000480908923 993764909 /nfs/dbraw/zinc/76/49/09/993764909.db2.gz LBOAOPMONVJXQX-XXBNENTESA-N 2 1 410.562 3.561 20 0 HHADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]3CCOCC3)c1)CCCO2 ZINC000480916574 993772372 /nfs/dbraw/zinc/77/23/72/993772372.db2.gz ZWJOVJXHJRARHN-HSZRJFAPSA-N 2 1 423.557 3.659 20 0 HHADMP CCS[C@@H]1CCCC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000481019079 993861689 /nfs/dbraw/zinc/86/16/89/993861689.db2.gz SPXNEMARJLEZDP-HXUWFJFHSA-N 2 1 407.649 3.782 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000481189287 994021415 /nfs/dbraw/zinc/02/14/15/994021415.db2.gz MAXVRWZFSWIUGJ-UZLBHIALSA-N 2 1 403.473 3.727 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000481200946 994034522 /nfs/dbraw/zinc/03/45/22/994034522.db2.gz QSRBRXJEAZSEMW-PXNSSMCTSA-N 2 1 423.479 3.671 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000481200946 994034529 /nfs/dbraw/zinc/03/45/29/994034529.db2.gz QSRBRXJEAZSEMW-PXNSSMCTSA-N 2 1 423.479 3.671 20 0 HHADMP C[C@@H](NCc1cccnc1N1CCN(C)CC1)c1ccc(F)cc1Br ZINC000481207277 994040459 /nfs/dbraw/zinc/04/04/59/994040459.db2.gz JJQVOFNHSQCJSP-CQSZACIVSA-N 2 1 407.331 3.586 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)[C@@H](C)C1 ZINC000481306992 994123344 /nfs/dbraw/zinc/12/33/44/994123344.db2.gz NASGJIDKDTTWNS-FDDCHVKYSA-N 2 1 409.565 3.656 20 0 HHADMP C[C@H]1C[NH+](Cc2ccc(C(=O)NC3CC[NH+](C4CCCCC4)CC3)cc2)C[C@H](C)O1 ZINC000473542530 994403024 /nfs/dbraw/zinc/40/30/24/994403024.db2.gz AUZAAALSBHMXDP-PMACEKPBSA-N 2 1 413.606 3.823 20 0 HHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481667680 994527787 /nfs/dbraw/zinc/52/77/87/994527787.db2.gz HCZJAOFXLHPKFX-VQIMIIECSA-N 2 1 416.031 3.657 20 0 HHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481667680 994527796 /nfs/dbraw/zinc/52/77/96/994527796.db2.gz HCZJAOFXLHPKFX-VQIMIIECSA-N 2 1 416.031 3.657 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2Cc3ccccc3C3(CC3)C2)CC1 ZINC000481784562 994632836 /nfs/dbraw/zinc/63/28/36/994632836.db2.gz VTZGYMHITPTFJV-UHFFFAOYSA-N 2 1 403.570 3.623 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2Cc3ccccc3C3(CC3)C2)CC1 ZINC000481784562 994632867 /nfs/dbraw/zinc/63/28/67/994632867.db2.gz VTZGYMHITPTFJV-UHFFFAOYSA-N 2 1 403.570 3.623 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000481907030 994778728 /nfs/dbraw/zinc/77/87/28/994778728.db2.gz GRCXKAQINAAHDC-JWQCQUIFSA-N 2 1 420.601 3.944 20 0 HHADMP COc1cccc([C@H]2[C@@H](NC(=O)Nc3cccc(C[NH+](C)C)c3)CC[N@H+]2C2CC2)c1 ZINC000481924364 994796459 /nfs/dbraw/zinc/79/64/59/994796459.db2.gz PLEXERXCFTYFSM-GOTSBHOMSA-N 2 1 408.546 3.856 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000473881341 994828414 /nfs/dbraw/zinc/82/84/14/994828414.db2.gz CFBAVGVKWSHPND-OSZJIOELSA-N 2 1 414.619 3.807 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000473889074 994839191 /nfs/dbraw/zinc/83/91/91/994839191.db2.gz ZWQURZLICPTROC-YPAWHYETSA-N 2 1 414.638 3.954 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000473962924 994944457 /nfs/dbraw/zinc/94/44/57/994944457.db2.gz HEORZWNXYJKURW-PABCKOPISA-N 2 1 400.611 3.563 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000473962924 994944472 /nfs/dbraw/zinc/94/44/72/994944472.db2.gz HEORZWNXYJKURW-PABCKOPISA-N 2 1 400.611 3.563 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000473962924 994944486 /nfs/dbraw/zinc/94/44/86/994944486.db2.gz HEORZWNXYJKURW-PABCKOPISA-N 2 1 400.611 3.563 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C(=O)N2CCSCC2)CC1 ZINC000482096848 995039194 /nfs/dbraw/zinc/03/91/94/995039194.db2.gz HSBIWUSBWTZSJX-MALGCSLJSA-N 2 1 415.647 3.621 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C(=O)N2CCSCC2)CC1 ZINC000482096848 995039207 /nfs/dbraw/zinc/03/92/07/995039207.db2.gz HSBIWUSBWTZSJX-MALGCSLJSA-N 2 1 415.647 3.621 20 0 HHADMP CC[C@H]([NH2+]CCc1ccc(OCC[NH+]2CCN(C(C)=O)CC2)cc1)c1cccs1 ZINC000482245683 995226448 /nfs/dbraw/zinc/22/64/48/995226448.db2.gz OVPNLHDOTIGXKS-QFIPXVFZSA-N 2 1 415.603 3.574 20 0 HHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)C2)CC1 ZINC000474307913 995295915 /nfs/dbraw/zinc/29/59/15/995295915.db2.gz SVDAMXJTOMPDJG-FYYLOGMGSA-N 2 1 401.570 3.761 20 0 HHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccc(F)cc3)C2)CC1 ZINC000474307913 995295922 /nfs/dbraw/zinc/29/59/22/995295922.db2.gz SVDAMXJTOMPDJG-FYYLOGMGSA-N 2 1 401.570 3.761 20 0 HHADMP O=C(NC[C@@H]1CC[NH+](CCc2ccccc2)C1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000474310920 995297997 /nfs/dbraw/zinc/29/79/97/995297997.db2.gz KHRUJCXFINRUSK-UKILVPOCSA-N 2 1 423.576 3.861 20 0 HHADMP O=C(NC[C@@H]1CC[NH+](CCc2ccccc2)C1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474310920 995298003 /nfs/dbraw/zinc/29/80/03/995298003.db2.gz KHRUJCXFINRUSK-UKILVPOCSA-N 2 1 423.576 3.861 20 0 HHADMP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000474310920 995298007 /nfs/dbraw/zinc/29/80/07/995298007.db2.gz KHRUJCXFINRUSK-UKILVPOCSA-N 2 1 423.576 3.861 20 0 HHADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000474310920 995298018 /nfs/dbraw/zinc/29/80/18/995298018.db2.gz KHRUJCXFINRUSK-UKILVPOCSA-N 2 1 423.576 3.861 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474333460 995314082 /nfs/dbraw/zinc/31/40/82/995314082.db2.gz SNSJQCDLTAHZTA-HSZRJFAPSA-N 2 1 413.512 3.710 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474333460 995314085 /nfs/dbraw/zinc/31/40/85/995314085.db2.gz SNSJQCDLTAHZTA-HSZRJFAPSA-N 2 1 413.512 3.710 20 0 HHADMP C[C@@H](C1CC1)n1nccc1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000482433512 995425954 /nfs/dbraw/zinc/42/59/54/995425954.db2.gz CQUWBWOCQLIYDW-SFHVURJKSA-N 2 1 416.614 3.514 20 0 HHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1OC ZINC000474465939 995428142 /nfs/dbraw/zinc/42/81/42/995428142.db2.gz BAKSSMOTSMQNNH-WOJBJXKFSA-N 2 1 411.590 3.733 20 0 HHADMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000482436146 995428527 /nfs/dbraw/zinc/42/85/27/995428527.db2.gz IPKNQDIDROLMGE-FPOVZHCZSA-N 2 1 415.603 3.663 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000474517042 995480811 /nfs/dbraw/zinc/48/08/11/995480811.db2.gz PDNQIYSIVPTABG-JSRBNTPPSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000482555553 995562569 /nfs/dbraw/zinc/56/25/69/995562569.db2.gz ZFXKJTMXWLZLKS-NRFANRHFSA-N 2 1 421.589 3.592 20 0 HHADMP COCCC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Br)cc1 ZINC000482570121 995574803 /nfs/dbraw/zinc/57/48/03/995574803.db2.gz SMILQGXODFGALX-FQEVSTJZSA-N 2 1 412.416 3.534 20 0 HHADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000482587140 995589909 /nfs/dbraw/zinc/58/99/09/995589909.db2.gz XLCYJDGIHWOMAF-CQOQZXRMSA-N 2 1 410.606 3.699 20 0 HHADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482587140 995589917 /nfs/dbraw/zinc/58/99/17/995589917.db2.gz XLCYJDGIHWOMAF-CQOQZXRMSA-N 2 1 410.606 3.699 20 0 HHADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482587140 995589925 /nfs/dbraw/zinc/58/99/25/995589925.db2.gz XLCYJDGIHWOMAF-CQOQZXRMSA-N 2 1 410.606 3.699 20 0 HHADMP Cc1ccccc1C[NH+]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000482626402 995621045 /nfs/dbraw/zinc/62/10/45/995621045.db2.gz ATDMKVVIFABORR-UHFFFAOYSA-N 2 1 405.586 3.942 20 0 HHADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c1)CCC2 ZINC000482631656 995625558 /nfs/dbraw/zinc/62/55/58/995625558.db2.gz OEJPZPVRRUNVIU-XUZZJYLKSA-N 2 1 407.558 3.560 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCSc4ccc(F)cc43)c2)C1 ZINC000482636036 995631185 /nfs/dbraw/zinc/63/11/85/995631185.db2.gz LIPGILONEZTONQ-NQIIRXRSSA-N 2 1 413.562 3.850 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1OC(F)F ZINC000482653342 995646970 /nfs/dbraw/zinc/64/69/70/995646970.db2.gz WZTUWKKUECYLQR-VQIMIIECSA-N 2 1 417.500 3.836 20 0 HHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1c(F)ccc(I)c1F ZINC000474817574 995724233 /nfs/dbraw/zinc/72/42/33/995724233.db2.gz OAUFWMDAYAISED-UHFFFAOYSA-N 2 1 405.230 3.644 20 0 HHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cccc(N4CCCC4=O)c3)CC2)oc1C ZINC000482870837 995806241 /nfs/dbraw/zinc/80/62/41/995806241.db2.gz QBMKKGMIHPOEGF-GOSISDBHSA-N 2 1 410.562 3.981 20 0 HHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000482885147 995817182 /nfs/dbraw/zinc/81/71/82/995817182.db2.gz DEOKMTARZZLSIR-LJQANCHMSA-N 2 1 412.603 3.720 20 0 HHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C3CCN(Cc4ccccn4)CC3)CC2)cs1 ZINC000482903177 995832759 /nfs/dbraw/zinc/83/27/59/995832759.db2.gz PSQJGJDBOLLIBP-UHFFFAOYSA-N 2 1 413.635 3.567 20 0 HHADMP CCN(C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475001702 995858224 /nfs/dbraw/zinc/85/82/24/995858224.db2.gz XJBGQPFJKXNNEJ-QFIPXVFZSA-N 2 1 410.562 3.755 20 0 HHADMP CN(C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475006868 995863347 /nfs/dbraw/zinc/86/33/47/995863347.db2.gz AIRGRGOJXUALKV-FCHUYYIVSA-N 2 1 410.562 3.723 20 0 HHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000475016357 995872611 /nfs/dbraw/zinc/87/26/11/995872611.db2.gz ONAJHEFQXZQPCJ-DEOSSOPVSA-N 2 1 408.590 3.944 20 0 HHADMP CCN(C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475034139 995883712 /nfs/dbraw/zinc/88/37/12/995883712.db2.gz USSKDDFCZOMUOW-UXHICEINSA-N 2 1 400.592 3.657 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1)c1ccccc1 ZINC000475150870 995955942 /nfs/dbraw/zinc/95/59/42/995955942.db2.gz LFGAKTARLKOILJ-UKILVPOCSA-N 2 1 405.517 3.924 20 0 HHADMP CCN(C(=O)NCCCC[NH+]1CCC[C@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475175796 995973262 /nfs/dbraw/zinc/97/32/62/995973262.db2.gz RTNSJARQKBBXEC-GMAHTHKFSA-N 2 1 400.611 3.805 20 0 HHADMP CCN(C(=O)NCCCC[NH+]1CCCC[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475177582 995974758 /nfs/dbraw/zinc/97/47/58/995974758.db2.gz ZHPSMHQFLDZSEB-GMAHTHKFSA-N 2 1 400.611 3.947 20 0 HHADMP CCN(C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475177582 995974767 /nfs/dbraw/zinc/97/47/67/995974767.db2.gz ZHPSMHQFLDZSEB-GMAHTHKFSA-N 2 1 400.611 3.947 20 0 HHADMP CCN(C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475177582 995974777 /nfs/dbraw/zinc/97/47/77/995974777.db2.gz ZHPSMHQFLDZSEB-GMAHTHKFSA-N 2 1 400.611 3.947 20 0 HHADMP O=C(C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000483120004 995987961 /nfs/dbraw/zinc/98/79/61/995987961.db2.gz SSZPGUXHQPQVEU-FQEVSTJZSA-N 2 1 413.562 3.803 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000475266041 996033796 /nfs/dbraw/zinc/03/37/96/996033796.db2.gz CZXFPSWHFRSMNP-ZODMCCGTSA-N 2 1 420.601 3.955 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000475266041 996033802 /nfs/dbraw/zinc/03/38/02/996033802.db2.gz CZXFPSWHFRSMNP-ZODMCCGTSA-N 2 1 420.601 3.955 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000475266041 996033808 /nfs/dbraw/zinc/03/38/08/996033808.db2.gz CZXFPSWHFRSMNP-ZODMCCGTSA-N 2 1 420.601 3.955 20 0 HHADMP O=C(NC1CC([NH+]2CCCCC2)C1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475307988 996059174 /nfs/dbraw/zinc/05/91/74/996059174.db2.gz JXKOOYZMNFYIKE-OOEPIQFGSA-N 2 1 410.606 3.701 20 0 HHADMP CN(C(=O)c1ccc(C[NH+]2CCSCC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475321837 996069709 /nfs/dbraw/zinc/06/97/09/996069709.db2.gz MBJULHGQXYPLLJ-QHCPKHFHSA-N 2 1 409.599 3.582 20 0 HHADMP COc1ccccc1COC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483495446 996217383 /nfs/dbraw/zinc/21/73/83/996217383.db2.gz YNRPORWQHNFHGY-QLBJFCOMSA-N 2 1 424.585 3.559 20 0 HHADMP COc1ccccc1COC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483495446 996217388 /nfs/dbraw/zinc/21/73/88/996217388.db2.gz YNRPORWQHNFHGY-QLBJFCOMSA-N 2 1 424.585 3.559 20 0 HHADMP COc1ccccc1COC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483495446 996217392 /nfs/dbraw/zinc/21/73/92/996217392.db2.gz YNRPORWQHNFHGY-QLBJFCOMSA-N 2 1 424.585 3.559 20 0 HHADMP COc1ccccc1COC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483495445 996217497 /nfs/dbraw/zinc/21/74/97/996217497.db2.gz YNRPORWQHNFHGY-ICDZXHCJSA-N 2 1 424.585 3.559 20 0 HHADMP COc1ccccc1COC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483495445 996217503 /nfs/dbraw/zinc/21/75/03/996217503.db2.gz YNRPORWQHNFHGY-ICDZXHCJSA-N 2 1 424.585 3.559 20 0 HHADMP COc1ccccc1COC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483495445 996217508 /nfs/dbraw/zinc/21/75/08/996217508.db2.gz YNRPORWQHNFHGY-ICDZXHCJSA-N 2 1 424.585 3.559 20 0 HHADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000483669921 996318971 /nfs/dbraw/zinc/31/89/71/996318971.db2.gz KRWCBMATCDLVOK-UHFFFAOYSA-N 2 1 402.608 3.764 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000475718101 996320899 /nfs/dbraw/zinc/32/08/99/996320899.db2.gz XCTBWRBYQPIXTL-IXDOHACOSA-N 2 1 422.411 3.791 20 0 HHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000475718101 996320906 /nfs/dbraw/zinc/32/09/06/996320906.db2.gz XCTBWRBYQPIXTL-IXDOHACOSA-N 2 1 422.411 3.791 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC000483711351 996343136 /nfs/dbraw/zinc/34/31/36/996343136.db2.gz NOUKQDYMCJUKKT-JTAQYXEDSA-N 2 1 400.611 3.933 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC000483711351 996343142 /nfs/dbraw/zinc/34/31/42/996343142.db2.gz NOUKQDYMCJUKKT-JTAQYXEDSA-N 2 1 400.611 3.933 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC000483711351 996343149 /nfs/dbraw/zinc/34/31/49/996343149.db2.gz NOUKQDYMCJUKKT-JTAQYXEDSA-N 2 1 400.611 3.933 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000483713053 996344306 /nfs/dbraw/zinc/34/43/06/996344306.db2.gz LZOZGSOGNQPCMX-WFXMLNOXSA-N 2 1 407.624 3.821 20 0 HHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000483713053 996344311 /nfs/dbraw/zinc/34/43/11/996344311.db2.gz LZOZGSOGNQPCMX-WFXMLNOXSA-N 2 1 407.624 3.821 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@H]1c1cccs1 ZINC000483801223 996396427 /nfs/dbraw/zinc/39/64/27/996396427.db2.gz DRVNICZJLLMURP-UTKZUKDTSA-N 2 1 404.624 3.837 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C(C)C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000483877751 996443666 /nfs/dbraw/zinc/44/36/66/996443666.db2.gz TUDJQIYQJLBHLR-SFTDATJTSA-N 2 1 408.537 3.661 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C(C)C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000483877751 996443668 /nfs/dbraw/zinc/44/36/68/996443668.db2.gz TUDJQIYQJLBHLR-SFTDATJTSA-N 2 1 408.537 3.661 20 0 HHADMP COc1cccc([C@H]2[C@H](NC(=O)NCc3ccc(C[NH+](C)C)cc3)CC[N@H+]2C2CC2)c1 ZINC000483937586 996478623 /nfs/dbraw/zinc/47/86/23/996478623.db2.gz HJCSACJKJJIDRG-RPWUZVMVSA-N 2 1 422.573 3.534 20 0 HHADMP COc1cccc([C@H]2[C@@H](NC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC[N@H+]2C2CC2)c1 ZINC000483972876 996499493 /nfs/dbraw/zinc/49/94/93/996499493.db2.gz IWEVXTSBBZESON-SFTDATJTSA-N 2 1 414.594 3.581 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccco1 ZINC000475967910 996504630 /nfs/dbraw/zinc/50/46/30/996504630.db2.gz RGRQYRXDYVYBSG-URXFXBBRSA-N 2 1 410.562 3.580 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccco1 ZINC000475967910 996504634 /nfs/dbraw/zinc/50/46/34/996504634.db2.gz RGRQYRXDYVYBSG-URXFXBBRSA-N 2 1 410.562 3.580 20 0 HHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCC[NH+](C)Cc2ccc(F)cc2)C1 ZINC000484024147 996527750 /nfs/dbraw/zinc/52/77/50/996527750.db2.gz IEBCPJZQHIZJIL-FPOVZHCZSA-N 2 1 404.574 3.554 20 0 HHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000484024147 996527753 /nfs/dbraw/zinc/52/77/53/996527753.db2.gz IEBCPJZQHIZJIL-FPOVZHCZSA-N 2 1 404.574 3.554 20 0 HHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000484024147 996527760 /nfs/dbraw/zinc/52/77/60/996527760.db2.gz IEBCPJZQHIZJIL-FPOVZHCZSA-N 2 1 404.574 3.554 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCC[NH+](C)Cc2ccc(F)cc2)C1 ZINC000484024374 996527861 /nfs/dbraw/zinc/52/78/61/996527861.db2.gz IEBCPJZQHIZJIL-TZIWHRDSSA-N 2 1 404.574 3.554 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000484024374 996527874 /nfs/dbraw/zinc/52/78/74/996527874.db2.gz IEBCPJZQHIZJIL-TZIWHRDSSA-N 2 1 404.574 3.554 20 0 HHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000484024374 996527880 /nfs/dbraw/zinc/52/78/80/996527880.db2.gz IEBCPJZQHIZJIL-TZIWHRDSSA-N 2 1 404.574 3.554 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC000476041666 996561909 /nfs/dbraw/zinc/56/19/09/996561909.db2.gz HYKMDXRGTRRNEX-ZCYQVOJMSA-N 2 1 412.622 3.805 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000476041666 996561915 /nfs/dbraw/zinc/56/19/15/996561915.db2.gz HYKMDXRGTRRNEX-ZCYQVOJMSA-N 2 1 412.622 3.805 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000476041666 996561919 /nfs/dbraw/zinc/56/19/19/996561919.db2.gz HYKMDXRGTRRNEX-ZCYQVOJMSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@H]([NH2+]C1(CN[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCOCC1)c1ccccc1 ZINC000484124679 996583845 /nfs/dbraw/zinc/58/38/45/996583845.db2.gz DIDLJAHUZPITEI-HWBMXIPRSA-N 2 1 422.617 3.782 20 0 HHADMP C[C@H]([NH2+]C1(CN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCOCC1)c1ccccc1 ZINC000484124679 996583849 /nfs/dbraw/zinc/58/38/49/996583849.db2.gz DIDLJAHUZPITEI-HWBMXIPRSA-N 2 1 422.617 3.782 20 0 HHADMP C[C@@H]([NH2+]C1(CNC2CC[NH+](Cc3cccnc3)CC2)CCOCC1)c1ccccc1 ZINC000484128324 996585612 /nfs/dbraw/zinc/58/56/12/996585612.db2.gz KEIGIINMRPJXDP-OAQYLSRUSA-N 2 1 408.590 3.536 20 0 HHADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000484172873 996616301 /nfs/dbraw/zinc/61/63/01/996616301.db2.gz WUCVPWHBMKMZBN-NTKDMRAZSA-N 2 1 410.562 3.504 20 0 HHADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000484172873 996616304 /nfs/dbraw/zinc/61/63/04/996616304.db2.gz WUCVPWHBMKMZBN-NTKDMRAZSA-N 2 1 410.562 3.504 20 0 HHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(NC(=O)NC4CC4)cc3)CC2)nc(C)[nH+]1 ZINC000484303498 996691024 /nfs/dbraw/zinc/69/10/24/996691024.db2.gz ZGJRQLXZXONGOL-MRXNPFEDSA-N 2 1 408.550 3.697 20 0 HHADMP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)C2)c1 ZINC000484468584 996788380 /nfs/dbraw/zinc/78/83/80/996788380.db2.gz CBURAPDKZNIBHY-QVNIBDNGSA-N 2 1 409.574 3.783 20 0 HHADMP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)C2)c1 ZINC000484468584 996788434 /nfs/dbraw/zinc/78/84/34/996788434.db2.gz CBURAPDKZNIBHY-QVNIBDNGSA-N 2 1 409.574 3.783 20 0 HHADMP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000484493280 996816758 /nfs/dbraw/zinc/81/67/58/996816758.db2.gz BWOSRWMOIDNUNL-KCESLBEFSA-N 2 1 415.603 3.865 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H]2CCCCc3ccccc32)c1 ZINC000476533745 997023169 /nfs/dbraw/zinc/02/31/69/997023169.db2.gz KTJPUUPTDVEPLI-XMMPIXPASA-N 2 1 407.558 3.905 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)C1CC1 ZINC000476629783 997151258 /nfs/dbraw/zinc/15/12/58/997151258.db2.gz GNXFKPBYWDDTNT-FCHUYYIVSA-N 2 1 410.562 3.626 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NC(C)(C)CC[NH+]3CCCCCC3)CC2)cs1 ZINC000476775596 997333530 /nfs/dbraw/zinc/33/35/30/997333530.db2.gz PTFYGNPYKKYBIX-UHFFFAOYSA-N 2 1 406.640 3.824 20 0 HHADMP CC[NH+](CC)CCOc1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)ccc1OC ZINC000476807824 997360550 /nfs/dbraw/zinc/36/05/50/997360550.db2.gz NZFIPLAVUXPTBJ-AZUAARDMSA-N 2 1 420.598 3.610 20 0 HHADMP COc1ccccc1COC[C@@H](O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476981924 997603016 /nfs/dbraw/zinc/60/30/16/997603016.db2.gz IUEDKVGNCVNKRF-OFNKIYASSA-N 2 1 404.595 3.549 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000485287352 997685865 /nfs/dbraw/zinc/68/58/65/997685865.db2.gz KJAGNMNWNJMGSH-QEFHDYNCSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000485287352 997685875 /nfs/dbraw/zinc/68/58/75/997685875.db2.gz KJAGNMNWNJMGSH-QEFHDYNCSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000485287352 997685879 /nfs/dbraw/zinc/68/58/79/997685879.db2.gz KJAGNMNWNJMGSH-QEFHDYNCSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@H](C(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000477069421 997717601 /nfs/dbraw/zinc/71/76/01/997717601.db2.gz QVTQVPBVKFZCAZ-JOCHJYFZSA-N 2 1 417.597 3.948 20 0 HHADMP C[C@H](C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)[NH+]1CCc2ccccc2C1 ZINC000477069421 997717612 /nfs/dbraw/zinc/71/76/12/997717612.db2.gz QVTQVPBVKFZCAZ-JOCHJYFZSA-N 2 1 417.597 3.948 20 0 HHADMP C[C@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)[NH+]1CCc2ccccc2C1 ZINC000477069421 997717623 /nfs/dbraw/zinc/71/76/23/997717623.db2.gz QVTQVPBVKFZCAZ-JOCHJYFZSA-N 2 1 417.597 3.948 20 0 HHADMP CCCN(CC[NH+]1CCCCC1)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000485323798 997735792 /nfs/dbraw/zinc/73/57/92/997735792.db2.gz VPTCVFHIACLLNU-UHFFFAOYSA-N 2 1 401.530 3.727 20 0 HHADMP Cc1nccn1C[C@H](C)CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000485501786 997957649 /nfs/dbraw/zinc/95/76/49/997957649.db2.gz XKRYYCSDXMLTJL-OIBXWCBGSA-N 2 1 409.578 3.524 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485501786 997957662 /nfs/dbraw/zinc/95/76/62/997957662.db2.gz XKRYYCSDXMLTJL-OIBXWCBGSA-N 2 1 409.578 3.524 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000485501786 997957670 /nfs/dbraw/zinc/95/76/70/997957670.db2.gz XKRYYCSDXMLTJL-OIBXWCBGSA-N 2 1 409.578 3.524 20 0 HHADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NCC3CC[NH+](Cc4ccccc4Cl)CC3)CC[C@H]21 ZINC000485602084 998048778 /nfs/dbraw/zinc/04/87/78/998048778.db2.gz QCJYIKFJOSANML-IFMALSPDSA-N 2 1 419.013 3.678 20 0 HHADMP C[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000477377467 998064790 /nfs/dbraw/zinc/06/47/90/998064790.db2.gz GZZURWNSSVKMJC-JTHBVZDNSA-N 2 1 400.611 3.660 20 0 HHADMP CCCN(C(=O)c1cc(C[NH+]2CCCC2)on1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000486029392 998476674 /nfs/dbraw/zinc/47/66/74/998476674.db2.gz OSPNBNKLWHLANR-OAQYLSRUSA-N 2 1 410.562 3.787 20 0 HHADMP CCCN(C(=O)c1cc(C[NH+]2CCCC2)on1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000486029392 998476680 /nfs/dbraw/zinc/47/66/80/998476680.db2.gz OSPNBNKLWHLANR-OAQYLSRUSA-N 2 1 410.562 3.787 20 0 HHADMP C[C@H](NC(=O)NCCCC[N@H+]1CCCC[C@H]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486255350 998678723 /nfs/dbraw/zinc/67/87/23/998678723.db2.gz VDROZJUWGZTSDG-GIWBLDEGSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@H](NC(=O)NCCCC[NH+]1CCCC[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486255350 998678731 /nfs/dbraw/zinc/67/87/31/998678731.db2.gz VDROZJUWGZTSDG-GIWBLDEGSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@H](NC(=O)NCCCC[NH+]1CCCC[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486255350 998678737 /nfs/dbraw/zinc/67/87/37/998678737.db2.gz VDROZJUWGZTSDG-GIWBLDEGSA-N 2 1 400.611 3.851 20 0 HHADMP C[C@@H](NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486266795 998685226 /nfs/dbraw/zinc/68/52/26/998685226.db2.gz DVQMDWIXEFBCGQ-MQSCRBSSSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@@H](NC(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486266795 998685229 /nfs/dbraw/zinc/68/52/29/998685229.db2.gz DVQMDWIXEFBCGQ-MQSCRBSSSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@@H](NC(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486266795 998685236 /nfs/dbraw/zinc/68/52/36/998685236.db2.gz DVQMDWIXEFBCGQ-MQSCRBSSSA-N 2 1 400.611 3.708 20 0 HHADMP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000478033844 998725648 /nfs/dbraw/zinc/72/56/48/998725648.db2.gz CZVPKGLEOADVKT-OALUTQOASA-N 2 1 414.594 3.949 20 0 HHADMP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000478033844 998725653 /nfs/dbraw/zinc/72/56/53/998725653.db2.gz CZVPKGLEOADVKT-OALUTQOASA-N 2 1 414.594 3.949 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC000478045188 998732137 /nfs/dbraw/zinc/73/21/37/998732137.db2.gz WHPDCDQCHPDPSC-QPTUXGOLSA-N 2 1 410.606 3.555 20 0 HHADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CC1 ZINC000478045188 998732141 /nfs/dbraw/zinc/73/21/41/998732141.db2.gz WHPDCDQCHPDPSC-QPTUXGOLSA-N 2 1 410.606 3.555 20 0 HHADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CC1 ZINC000478045188 998732143 /nfs/dbraw/zinc/73/21/43/998732143.db2.gz WHPDCDQCHPDPSC-QPTUXGOLSA-N 2 1 410.606 3.555 20 0 HHADMP O=C([C@@H]1CCCc2[nH+]ccn21)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000486546407 998818392 /nfs/dbraw/zinc/81/83/92/998818392.db2.gz OHADSFLQRCNNMU-OALUTQOASA-N 2 1 420.479 3.674 20 0 HHADMP O=C([C@@H]1CCCc2[nH+]ccn21)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000486546407 998818398 /nfs/dbraw/zinc/81/83/98/998818398.db2.gz OHADSFLQRCNNMU-OALUTQOASA-N 2 1 420.479 3.674 20 0 HHADMP Cc1nc(COc2ccc(C[NH2+][C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)no1 ZINC000486567137 998830195 /nfs/dbraw/zinc/83/01/95/998830195.db2.gz PBFAVNPNZAIKAQ-GCJKJVERSA-N 2 1 406.530 3.957 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)cc1)C1CC1 ZINC000478322289 998887223 /nfs/dbraw/zinc/88/72/23/998887223.db2.gz BDPCINSZSWASPD-UHFFFAOYSA-N 2 1 421.589 3.849 20 0 HHADMP C[C@@H](NC(=O)NCCCCC[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486964353 999020537 /nfs/dbraw/zinc/02/05/37/999020537.db2.gz KBPIRQLNOAWNLC-GGAORHGYSA-N 2 1 400.611 3.852 20 0 HHADMP C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000487060781 999051084 /nfs/dbraw/zinc/05/10/84/999051084.db2.gz BPSLTCYYWJMEIJ-ZFGGDYGUSA-N 2 1 408.590 3.717 20 0 HHADMP C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000487060781 999051090 /nfs/dbraw/zinc/05/10/90/999051090.db2.gz BPSLTCYYWJMEIJ-ZFGGDYGUSA-N 2 1 408.590 3.717 20 0 HHADMP C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000487060781 999051094 /nfs/dbraw/zinc/05/10/94/999051094.db2.gz BPSLTCYYWJMEIJ-ZFGGDYGUSA-N 2 1 408.590 3.717 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000487159273 999084295 /nfs/dbraw/zinc/08/42/95/999084295.db2.gz NOHGXQPMXXOLBV-FGZHOGPDSA-N 2 1 401.501 3.980 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000487159273 999084299 /nfs/dbraw/zinc/08/42/99/999084299.db2.gz NOHGXQPMXXOLBV-FGZHOGPDSA-N 2 1 401.501 3.980 20 0 HHADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000478974671 999230298 /nfs/dbraw/zinc/23/02/98/999230298.db2.gz BPXUVTMSXBJXQL-LJQANCHMSA-N 2 1 404.352 3.607 20 0 HHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000479033648 999257038 /nfs/dbraw/zinc/25/70/38/999257038.db2.gz GMTUCULRBYRFAM-UHFFFAOYSA-N 2 1 412.578 3.833 20 0 HHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000479033648 999257043 /nfs/dbraw/zinc/25/70/43/999257043.db2.gz GMTUCULRBYRFAM-UHFFFAOYSA-N 2 1 412.578 3.833 20 0 HHADMP Cc1ccc(-c2cnc(C[NH+]3CCC(C(=O)NCCC[NH+]4CCCCC4)CC3)o2)cc1 ZINC000487725010 999266623 /nfs/dbraw/zinc/26/66/23/999266623.db2.gz LIPRCLKJNBGAFQ-UHFFFAOYSA-N 2 1 424.589 3.854 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000479067632 999278629 /nfs/dbraw/zinc/27/86/29/999278629.db2.gz MILWWLZRDDEKMC-QZTJIDSGSA-N 2 1 421.632 3.575 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000479067632 999278635 /nfs/dbraw/zinc/27/86/35/999278635.db2.gz MILWWLZRDDEKMC-QZTJIDSGSA-N 2 1 421.632 3.575 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000487814073 999299440 /nfs/dbraw/zinc/29/94/40/999299440.db2.gz FORUAEQYNUEVDQ-XPGWFJOJSA-N 2 1 410.553 3.764 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000487814073 999299443 /nfs/dbraw/zinc/29/94/43/999299443.db2.gz FORUAEQYNUEVDQ-XPGWFJOJSA-N 2 1 410.553 3.764 20 0 HHADMP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000487966746 999330566 /nfs/dbraw/zinc/33/05/66/999330566.db2.gz JEGHVNQIPPRZPB-TYCQWZJGSA-N 2 1 408.537 3.520 20 0 HHADMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000487966746 999330567 /nfs/dbraw/zinc/33/05/67/999330567.db2.gz JEGHVNQIPPRZPB-TYCQWZJGSA-N 2 1 408.537 3.520 20 0 HHADMP CCC[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000487966746 999330570 /nfs/dbraw/zinc/33/05/70/999330570.db2.gz JEGHVNQIPPRZPB-TYCQWZJGSA-N 2 1 408.537 3.520 20 0 HHADMP CCC[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000487966746 999330572 /nfs/dbraw/zinc/33/05/72/999330572.db2.gz JEGHVNQIPPRZPB-TYCQWZJGSA-N 2 1 408.537 3.520 20 0 HHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479333310 999389989 /nfs/dbraw/zinc/38/99/89/999389989.db2.gz WOKLYUARYXNCKX-UONOGXRCSA-N 2 1 422.422 3.804 20 0 HHADMP COc1c(Br)cccc1C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000479429957 999412607 /nfs/dbraw/zinc/41/26/07/999412607.db2.gz WDHFCQCZOOKLIF-UHFFFAOYSA-N 2 1 419.363 3.704 20 0 HHADMP CCCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CC3)[C@@H]2c2cccc(OC)c2)CC1 ZINC000488273077 999419165 /nfs/dbraw/zinc/41/91/65/999419165.db2.gz ODMWPPFKXPFMEI-XZOQPEGZSA-N 2 1 414.594 3.537 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479452874 999424299 /nfs/dbraw/zinc/42/42/99/999424299.db2.gz IKOHPKNNYIWQFB-ZJOUEHCJSA-N 2 1 415.603 3.512 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCn1cc(Br)cn1 ZINC000479463627 999428685 /nfs/dbraw/zinc/42/86/85/999428685.db2.gz JPLBEFKDVFFOMN-PXNSSMCTSA-N 2 1 405.384 3.926 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCn1cc(Br)cn1 ZINC000479463627 999428687 /nfs/dbraw/zinc/42/86/87/999428687.db2.gz JPLBEFKDVFFOMN-PXNSSMCTSA-N 2 1 405.384 3.926 20 0 HHADMP Cc1[nH+]ccn1CCNC(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000489225318 999725814 /nfs/dbraw/zinc/72/58/14/999725814.db2.gz ZIPHPEXVXPBZKW-UHFFFAOYSA-N 2 1 405.546 3.535 20 0 HHADMP Cc1[nH+]ccn1CCNC(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000489225318 999725817 /nfs/dbraw/zinc/72/58/17/999725817.db2.gz ZIPHPEXVXPBZKW-UHFFFAOYSA-N 2 1 405.546 3.535 20 0 HHADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)c1 ZINC000480365836 999781431 /nfs/dbraw/zinc/78/14/31/999781431.db2.gz QLDWBMWJEXJKLW-UHFFFAOYSA-N 2 1 413.468 3.806 20 0 HHADMP COc1cccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[NH+](C)C)c1 ZINC000489520250 999783074 /nfs/dbraw/zinc/78/30/74/999783074.db2.gz CLPPYHMNTAKVCU-FOVJLYNBSA-N 2 1 424.589 3.508 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000489528178 999784789 /nfs/dbraw/zinc/78/47/89/999784789.db2.gz HGMBSHLVSRGCFK-FYYLOGMGSA-N 2 1 400.611 3.852 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000489773166 999835426 /nfs/dbraw/zinc/83/54/26/999835426.db2.gz KOHYJPPWSSQSSK-RPBOFIJWSA-N 2 1 420.601 3.515 20 0 HHADMP O=C(NC[C@H]1CC[NH+](CCc2ccccc2)C1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000489773166 999835429 /nfs/dbraw/zinc/83/54/29/999835429.db2.gz KOHYJPPWSSQSSK-RPBOFIJWSA-N 2 1 420.601 3.515 20 0 HHADMP O=C(NC[C@H]1CC[NH+](CCc2ccccc2)C1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000489773166 999835430 /nfs/dbraw/zinc/83/54/30/999835430.db2.gz KOHYJPPWSSQSSK-RPBOFIJWSA-N 2 1 420.601 3.515 20 0 HHADMP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000480607160 999839395 /nfs/dbraw/zinc/83/93/95/999839395.db2.gz DLGGHEJAYVGERY-UXHICEINSA-N 2 1 409.640 3.880 20 0 HHADMP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000480609001 999839853 /nfs/dbraw/zinc/83/98/53/999839853.db2.gz IMBOPKNPNGRGIQ-RBUKOAKNSA-N 2 1 415.603 3.820 20 0 HHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000489806258 999841932 /nfs/dbraw/zinc/84/19/32/999841932.db2.gz IXRQMCPIICHCON-VWLOTQADSA-N 2 1 422.617 3.844 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC000489832920 999845971 /nfs/dbraw/zinc/84/59/71/999845971.db2.gz NGDRRHCBYHMGDM-OIBXWCBGSA-N 2 1 424.589 3.508 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC000489832920 999845973 /nfs/dbraw/zinc/84/59/73/999845973.db2.gz NGDRRHCBYHMGDM-OIBXWCBGSA-N 2 1 424.589 3.508 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@]3(CC[NH+](C)C3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000489834206 999846300 /nfs/dbraw/zinc/84/63/00/999846300.db2.gz AYMCVJKTLVZPHO-ONTIZHBOSA-N 2 1 422.976 3.740 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@]3(CC[NH+](C)C3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000489834206 999846302 /nfs/dbraw/zinc/84/63/02/999846302.db2.gz AYMCVJKTLVZPHO-ONTIZHBOSA-N 2 1 422.976 3.740 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000489834206 999846304 /nfs/dbraw/zinc/84/63/04/999846304.db2.gz AYMCVJKTLVZPHO-ONTIZHBOSA-N 2 1 422.976 3.740 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000489834206 999846305 /nfs/dbraw/zinc/84/63/05/999846305.db2.gz AYMCVJKTLVZPHO-ONTIZHBOSA-N 2 1 422.976 3.740 20 0 HHADMP C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000489874086 999852938 /nfs/dbraw/zinc/85/29/38/999852938.db2.gz OQRKHIZVICCIFV-QHCPKHFHSA-N 2 1 406.574 3.567 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000489895437 999857403 /nfs/dbraw/zinc/85/74/03/999857403.db2.gz BSMGMKKVJHXSCR-OAQYLSRUSA-N 2 1 400.611 3.947 20 0 HHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000480687019 999859493 /nfs/dbraw/zinc/85/94/93/999859493.db2.gz DACXWWXQUFROMJ-NRFANRHFSA-N 2 1 403.574 3.861 20 0 HHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000480708791 999864686 /nfs/dbraw/zinc/86/46/86/999864686.db2.gz WLDFRTMIAYKAMD-GGBSJPMNSA-N 2 1 407.602 3.603 20 0 HHADMP Brc1cnn(CCC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000490355640 999943626 /nfs/dbraw/zinc/94/36/26/999943626.db2.gz QSBLKVBTSRJBBF-YSIASYRMSA-N 2 1 403.368 3.536 20 0 HHADMP C[C@@H]1C[N@@H+](CCOC(c2ccccc2)c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490654857 999989452 /nfs/dbraw/zinc/98/94/52/999989452.db2.gz ZALHIRQLZDCHQD-RDGATRHJSA-N 2 1 407.602 3.750 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490991950 1000031176 /nfs/dbraw/zinc/03/11/76/1000031176.db2.gz YZYYXNADPVXONB-NBGIEHNGSA-N 2 1 411.565 3.863 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490991950 1000031178 /nfs/dbraw/zinc/03/11/78/1000031178.db2.gz YZYYXNADPVXONB-NBGIEHNGSA-N 2 1 411.565 3.863 20 0 HHADMP C[C@H]1C[C@@H](N(C)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@H+]1Cc1ccccc1 ZINC000491259899 1000059812 /nfs/dbraw/zinc/05/98/12/1000059812.db2.gz RWGWPWZMMPKXQO-UGKGYDQZSA-N 2 1 424.593 3.667 20 0 HHADMP CCN(C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000491336719 1000066500 /nfs/dbraw/zinc/06/65/00/1000066500.db2.gz WSDNWTAUVJVFJW-UGKGYDQZSA-N 2 1 424.593 3.839 20 0 HHADMP Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000492043718 1000106460 /nfs/dbraw/zinc/10/64/60/1000106460.db2.gz ODQKYHVPXFCZEC-RBBKRZOGSA-N 2 1 424.589 3.968 20 0 HHADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000492789308 1000144305 /nfs/dbraw/zinc/14/43/05/1000144305.db2.gz LPOUCEPUHHHBLT-UHFFFAOYSA-N 2 1 411.456 3.731 20 0 HHADMP COc1ccc([C@H]2CC[N@@H+](CC(=O)NC3CC[NH+](Cc4ccccc4C)CC3)C2)cc1 ZINC000504484102 1000228297 /nfs/dbraw/zinc/22/82/97/1000228297.db2.gz PJUBZFGRWGDTJB-QHCPKHFHSA-N 2 1 421.585 3.574 20 0 HHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000494060520 1000289007 /nfs/dbraw/zinc/28/90/07/1000289007.db2.gz NYOVXBIHHWVDPG-IBGZPJMESA-N 2 1 404.558 3.769 20 0 HHADMP CC(C)(CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[NH+]1CCc2ccccc2C1 ZINC000504736873 1000347898 /nfs/dbraw/zinc/34/78/98/1000347898.db2.gz HGOQUMVMBBBZIA-UHFFFAOYSA-N 2 1 420.601 3.741 20 0 HHADMP CC(C)(CNC(=O)N1CCC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000504736873 1000347906 /nfs/dbraw/zinc/34/79/06/1000347906.db2.gz HGOQUMVMBBBZIA-UHFFFAOYSA-N 2 1 420.601 3.741 20 0 HHADMP CC(C)(CNC(=O)N1CCC[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000504736873 1000347913 /nfs/dbraw/zinc/34/79/13/1000347913.db2.gz HGOQUMVMBBBZIA-UHFFFAOYSA-N 2 1 420.601 3.741 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000494261758 1000397123 /nfs/dbraw/zinc/39/71/23/1000397123.db2.gz IKNVZBFSZVSCHX-IYBDPMFKSA-N 2 1 405.493 3.693 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000494261758 1000397128 /nfs/dbraw/zinc/39/71/28/1000397128.db2.gz IKNVZBFSZVSCHX-IYBDPMFKSA-N 2 1 405.493 3.693 20 0 HHADMP C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000504914081 1000444916 /nfs/dbraw/zinc/44/49/16/1000444916.db2.gz KKWKRMSYQVZWMY-OAQYLSRUSA-N 2 1 420.601 3.919 20 0 HHADMP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000504919976 1000448702 /nfs/dbraw/zinc/44/87/02/1000448702.db2.gz MDINMVQTKBQISR-CVDCTZTESA-N 2 1 407.558 3.994 20 0 HHADMP C[NH+]1CCN(c2ncc(C[NH2+]CC3(c4ccc(F)cc4Cl)CCCC3)cn2)CC1 ZINC000494417369 1000482055 /nfs/dbraw/zinc/48/20/55/1000482055.db2.gz WYOMKEXTXVAYDC-UHFFFAOYSA-N 2 1 417.960 3.623 20 0 HHADMP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@@H+]1CCc2sccc2C1 ZINC000504988854 1000491263 /nfs/dbraw/zinc/49/12/63/1000491263.db2.gz PSBLFONPPKLEHW-SFHVURJKSA-N 2 1 412.603 3.590 20 0 HHADMP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@H+]1CCc2sccc2C1 ZINC000504988854 1000491267 /nfs/dbraw/zinc/49/12/67/1000491267.db2.gz PSBLFONPPKLEHW-SFHVURJKSA-N 2 1 412.603 3.590 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000494442665 1000494422 /nfs/dbraw/zinc/49/44/22/1000494422.db2.gz LJWOLILJRBYRHC-WZONZLPQSA-N 2 1 416.585 3.552 20 0 HHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc(C(=O)N(C)C)cc3)CC2)cs1 ZINC000495044842 1000796822 /nfs/dbraw/zinc/79/68/22/1000796822.db2.gz DDSLYLZHYNFDIE-KRWDZBQOSA-N 2 1 414.619 3.970 20 0 HHADMP CCc1ccc([C@@H]2CN(C(=O)c3ccc(N4CC[NH+](C(C)C)CC4)cc3)CC[NH2+]2)cc1 ZINC000505483638 1000810270 /nfs/dbraw/zinc/81/02/70/1000810270.db2.gz KREVOSOHKWGRPF-VWLOTQADSA-N 2 1 420.601 3.566 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495432661 1001010995 /nfs/dbraw/zinc/01/09/95/1001010995.db2.gz KDHPRENMZDANIY-SQGPQFPESA-N 2 1 404.551 3.790 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495432661 1001011002 /nfs/dbraw/zinc/01/10/02/1001011002.db2.gz KDHPRENMZDANIY-SQGPQFPESA-N 2 1 404.551 3.790 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc2cccc(F)c2c1COC ZINC000505783845 1001022326 /nfs/dbraw/zinc/02/23/26/1001022326.db2.gz LYYVTECLUOGKRO-INIZCTEOSA-N 2 1 421.582 3.675 20 0 HHADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000505996019 1001150960 /nfs/dbraw/zinc/15/09/60/1001150960.db2.gz KKENSRHRGWIDQW-WOJBJXKFSA-N 2 1 416.569 3.710 20 0 HHADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000505996019 1001150961 /nfs/dbraw/zinc/15/09/61/1001150961.db2.gz KKENSRHRGWIDQW-WOJBJXKFSA-N 2 1 416.569 3.710 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)CC1 ZINC000506148104 1001248887 /nfs/dbraw/zinc/24/88/87/1001248887.db2.gz OMTADXMSNYBKPV-QFIPXVFZSA-N 2 1 418.589 3.641 20 0 HHADMP COc1ccc(OC(F)F)c(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000497233738 1001282851 /nfs/dbraw/zinc/28/28/51/1001282851.db2.gz ZJAMWBDSKABOQE-OAQYLSRUSA-N 2 1 419.516 3.765 20 0 HHADMP CN(C(=O)N[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000497503584 1001406913 /nfs/dbraw/zinc/40/69/13/1001406913.db2.gz LDZLJCCWMKSBMX-WRURNZQNSA-N 2 1 424.511 3.546 20 0 HHADMP CN(C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000497503584 1001406914 /nfs/dbraw/zinc/40/69/14/1001406914.db2.gz LDZLJCCWMKSBMX-WRURNZQNSA-N 2 1 424.511 3.546 20 0 HHADMP CN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000497503584 1001406920 /nfs/dbraw/zinc/40/69/20/1001406920.db2.gz LDZLJCCWMKSBMX-WRURNZQNSA-N 2 1 424.511 3.546 20 0 HHADMP C[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+]3CCC2CC3)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000497594712 1001451543 /nfs/dbraw/zinc/45/15/43/1001451543.db2.gz CNBMSAJGYYORPF-PXNSSMCTSA-N 2 1 424.511 3.578 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC3CC[NH+](CC4CCCC4)CC3)cc2)C[C@H](C)O1 ZINC000497605408 1001455654 /nfs/dbraw/zinc/45/56/54/1001455654.db2.gz HQMGMMVWJZPGPC-BGYRXZFFSA-N 2 1 413.606 3.680 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC3CC[NH+](CC4CCCC4)CC3)cc2)C[C@H](C)O1 ZINC000497605408 1001455656 /nfs/dbraw/zinc/45/56/56/1001455656.db2.gz HQMGMMVWJZPGPC-BGYRXZFFSA-N 2 1 413.606 3.680 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)c1ccco1 ZINC000506623871 1001474870 /nfs/dbraw/zinc/47/48/70/1001474870.db2.gz FCEDXMNFYGVGPJ-QHAWAJNXSA-N 2 1 404.599 3.959 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+](C)Cc1ccccc1 ZINC000506793699 1001533473 /nfs/dbraw/zinc/53/34/73/1001533473.db2.gz BPQAATIPEMKSSA-XPNTWCBSSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)[N@H+](C)Cc1ccccc1 ZINC000506793699 1001533478 /nfs/dbraw/zinc/53/34/78/1001533478.db2.gz BPQAATIPEMKSSA-XPNTWCBSSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)[N@@H+](C)Cc1ccccc1 ZINC000506793699 1001533482 /nfs/dbraw/zinc/53/34/82/1001533482.db2.gz BPQAATIPEMKSSA-XPNTWCBSSA-N 2 1 400.611 3.803 20 0 HHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000497852008 1001537277 /nfs/dbraw/zinc/53/72/77/1001537277.db2.gz HGOLNRFBBMYGHB-HXUWFJFHSA-N 2 1 406.368 3.749 20 0 HHADMP COc1cccc([C@@H]2[C@H](NC(=O)NCCC[NH+]3CCCC[C@@H]3C)CC[N@H+]2C2CC2)c1 ZINC000498114141 1001646668 /nfs/dbraw/zinc/64/66/68/1001646668.db2.gz LNXVNUNFPFQFLJ-CDNPAEQRSA-N 2 1 414.594 3.537 20 0 HHADMP COc1cccc([C@@H]2[C@H](NC(=O)NCCC[N@@H+]3CCCC[C@@H]3C)CC[NH+]2C2CC2)c1 ZINC000498114141 1001646670 /nfs/dbraw/zinc/64/66/70/1001646670.db2.gz LNXVNUNFPFQFLJ-CDNPAEQRSA-N 2 1 414.594 3.537 20 0 HHADMP COc1cccc([C@@H]2[C@H](NC(=O)NCCC[N@H+]3CCCC[C@@H]3C)CC[NH+]2C2CC2)c1 ZINC000498114141 1001646673 /nfs/dbraw/zinc/64/66/73/1001646673.db2.gz LNXVNUNFPFQFLJ-CDNPAEQRSA-N 2 1 414.594 3.537 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000498121027 1001649960 /nfs/dbraw/zinc/64/99/60/1001649960.db2.gz LPOHJCXFGDQCNV-NHCUHLMSSA-N 2 1 408.537 3.664 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000498121027 1001649962 /nfs/dbraw/zinc/64/99/62/1001649962.db2.gz LPOHJCXFGDQCNV-NHCUHLMSSA-N 2 1 408.537 3.664 20 0 HHADMP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000498126619 1001652949 /nfs/dbraw/zinc/65/29/49/1001652949.db2.gz KZOFLSFLAPEVFQ-ZJSXRUAMSA-N 2 1 406.574 3.651 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000498273535 1001747660 /nfs/dbraw/zinc/74/76/60/1001747660.db2.gz CSZYWEGCWSKZOF-DEPWHIHDSA-N 2 1 422.976 3.598 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000498273535 1001747665 /nfs/dbraw/zinc/74/76/65/1001747665.db2.gz CSZYWEGCWSKZOF-DEPWHIHDSA-N 2 1 422.976 3.598 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000498273535 1001747671 /nfs/dbraw/zinc/74/76/71/1001747671.db2.gz CSZYWEGCWSKZOF-DEPWHIHDSA-N 2 1 422.976 3.598 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000498337492 1001783605 /nfs/dbraw/zinc/78/36/05/1001783605.db2.gz RWMLZGKUZIUJOH-JWOSDPRPSA-N 2 1 422.976 3.739 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000498337492 1001783608 /nfs/dbraw/zinc/78/36/08/1001783608.db2.gz RWMLZGKUZIUJOH-JWOSDPRPSA-N 2 1 422.976 3.739 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000498337492 1001783611 /nfs/dbraw/zinc/78/36/11/1001783611.db2.gz RWMLZGKUZIUJOH-JWOSDPRPSA-N 2 1 422.976 3.739 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000498337492 1001783615 /nfs/dbraw/zinc/78/36/15/1001783615.db2.gz RWMLZGKUZIUJOH-JWOSDPRPSA-N 2 1 422.976 3.739 20 0 HHADMP CC[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)C1 ZINC000507383260 1002038867 /nfs/dbraw/zinc/03/88/67/1002038867.db2.gz SJMCWZXNZQVDOW-SXWKCWPCSA-N 2 1 400.611 3.696 20 0 HHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000498694760 1002081297 /nfs/dbraw/zinc/08/12/97/1002081297.db2.gz MUJJAMOIVZRVSW-DHLKQENFSA-N 2 1 422.617 3.979 20 0 HHADMP O=C1C[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CN1Cc1ccccc1 ZINC000507457376 1002081693 /nfs/dbraw/zinc/08/16/93/1002081693.db2.gz BHIYBSLPXXPGNY-ZGFBMJKBSA-N 2 1 403.570 3.535 20 0 HHADMP O=C1C[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CN1Cc1ccccc1 ZINC000507457374 1002082233 /nfs/dbraw/zinc/08/22/33/1002082233.db2.gz BHIYBSLPXXPGNY-ZFFYZDHPSA-N 2 1 403.570 3.535 20 0 HHADMP O=c1ccccn1Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000507510911 1002121295 /nfs/dbraw/zinc/12/12/95/1002121295.db2.gz NNJOIVNWZDXVBS-JIMJEQGWSA-N 2 1 413.565 3.897 20 0 HHADMP O=C1[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCN1c1ccccc1Cl ZINC000507519819 1002129720 /nfs/dbraw/zinc/12/97/20/1002129720.db2.gz KLKLOFOOKKVGJG-UGESXGAOSA-N 2 1 409.961 3.946 20 0 HHADMP O=C1[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CCN1c1ccccc1Cl ZINC000507519819 1002129714 /nfs/dbraw/zinc/12/97/14/1002129714.db2.gz KLKLOFOOKKVGJG-UGESXGAOSA-N 2 1 409.961 3.946 20 0 HHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H](O)CO[C@H]3CCCc4ccccc43)C2)CC1 ZINC000498833693 1002219950 /nfs/dbraw/zinc/21/99/50/1002219950.db2.gz MDHRIMQITWRXLA-RSEQLOHWSA-N 2 1 400.607 3.885 20 0 HHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](O)CO[C@H]3CCCc4ccccc43)C2)CC1 ZINC000498833693 1002219953 /nfs/dbraw/zinc/21/99/53/1002219953.db2.gz MDHRIMQITWRXLA-RSEQLOHWSA-N 2 1 400.607 3.885 20 0 HHADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccc(Oc4ccccc4)nn3)CC2)C[C@@H](C)O1 ZINC000499053728 1002435825 /nfs/dbraw/zinc/43/58/25/1002435825.db2.gz OKCOSMHHECHYPF-WOJBJXKFSA-N 2 1 410.562 3.980 20 0 HHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](c3nccn3C)c3cccc(F)c3)CC2)oc1C ZINC000507940083 1002474584 /nfs/dbraw/zinc/47/45/84/1002474584.db2.gz UPXIFUUGRZQFCW-QFIPXVFZSA-N 2 1 411.525 3.755 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CCC(C(=O)OC(C)(C)C)CC3)c2)CCO1 ZINC000507941301 1002475773 /nfs/dbraw/zinc/47/57/73/1002475773.db2.gz XRUCWCNABJEJMR-OSFYOIPJSA-N 2 1 402.579 3.897 20 0 HHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C3CCC(C(=O)OC(C)(C)C)CC3)c2)CCO1 ZINC000507941301 1002475766 /nfs/dbraw/zinc/47/57/66/1002475766.db2.gz XRUCWCNABJEJMR-OSFYOIPJSA-N 2 1 402.579 3.897 20 0 HHADMP C[C@@H]1CN(c2ccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cn2)CCO1 ZINC000499164060 1002550540 /nfs/dbraw/zinc/55/05/40/1002550540.db2.gz YXYQLPRCDOGRNK-OUJCMCIWSA-N 2 1 406.574 3.592 20 0 HHADMP C[C@@H]1CN(c2ccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cn2)CCO1 ZINC000499164060 1002550550 /nfs/dbraw/zinc/55/05/50/1002550550.db2.gz YXYQLPRCDOGRNK-OUJCMCIWSA-N 2 1 406.574 3.592 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC000508037637 1002559139 /nfs/dbraw/zinc/55/91/39/1002559139.db2.gz IXZJQZPZERKCLR-UHFFFAOYSA-N 2 1 420.601 3.567 20 0 HHADMP O=C1C[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CN1Cc1ccccc1 ZINC000499187964 1002577420 /nfs/dbraw/zinc/57/74/20/1002577420.db2.gz FPZKALXSGSWIDJ-ZKGSSEMHSA-N 2 1 403.570 3.820 20 0 HHADMP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000508089606 1002612112 /nfs/dbraw/zinc/61/21/12/1002612112.db2.gz OZTVBXKOBZDOLL-UHFFFAOYSA-N 2 1 415.647 3.964 20 0 HHADMP C[C@@H]1CN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000499578753 1002955891 /nfs/dbraw/zinc/95/58/91/1002955891.db2.gz YNGIXGKGBVWAKE-UXHICEINSA-N 2 1 410.562 3.754 20 0 HHADMP C[C@@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508690310 1003127888 /nfs/dbraw/zinc/12/78/88/1003127888.db2.gz JNIFAZFASUOBDH-HYBUGGRVSA-N 2 1 420.601 3.706 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508698066 1003136285 /nfs/dbraw/zinc/13/62/85/1003136285.db2.gz NLTDMMLIAZHKGC-KWOQKUFVSA-N 2 1 407.558 3.804 20 0 HHADMP C[C@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508699970 1003137820 /nfs/dbraw/zinc/13/78/20/1003137820.db2.gz PKRGUNZVTGYIRH-RBBKRZOGSA-N 2 1 422.569 3.964 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508700486 1003138091 /nfs/dbraw/zinc/13/80/91/1003138091.db2.gz QTAGLROPBVQURF-BUUDZMLXSA-N 2 1 421.585 3.596 20 0 HHADMP Cc1cc(NC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)n(C2CC[NH+](C)CC2)n1 ZINC000499884565 1003220451 /nfs/dbraw/zinc/22/04/51/1003220451.db2.gz CUOJBKAYTCAVPQ-WOJBJXKFSA-N 2 1 424.593 3.585 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000499996272 1003314074 /nfs/dbraw/zinc/31/40/74/1003314074.db2.gz BFAQWEJJQQIYRK-IBGZPJMESA-N 2 1 406.619 3.542 20 0 HHADMP C[C@H](NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508897650 1003328782 /nfs/dbraw/zinc/32/87/82/1003328782.db2.gz OHIDZQXMIVMMGF-PMWMKWCKSA-N 2 1 420.601 3.985 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cccs1 ZINC000509131929 1003575196 /nfs/dbraw/zinc/57/51/96/1003575196.db2.gz MBGOEUAMHYMKOC-TZIWHRDSSA-N 2 1 414.619 3.951 20 0 HHADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c(Br)c1 ZINC000511923568 1003896526 /nfs/dbraw/zinc/89/65/26/1003896526.db2.gz QBUDVHBVZQXTQG-IBGZPJMESA-N 2 1 419.363 3.704 20 0 HHADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c(Br)c1 ZINC000511923568 1003896538 /nfs/dbraw/zinc/89/65/38/1003896538.db2.gz QBUDVHBVZQXTQG-IBGZPJMESA-N 2 1 419.363 3.704 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCC(C[NH+](C)C)CC3)cc2)C1 ZINC000500689330 1003896705 /nfs/dbraw/zinc/89/67/05/1003896705.db2.gz RXIBCKMNDVOIMF-BGYRXZFFSA-N 2 1 400.611 3.648 20 0 HHADMP Cn1cc(-c2ccc(C[NH2+]CCCN3CC[N@@H+](C)C[C@@H]3c3ccccc3)s2)cn1 ZINC000509526055 1003923825 /nfs/dbraw/zinc/92/38/25/1003923825.db2.gz PUVMQARVPQFDJY-JOCHJYFZSA-N 2 1 409.603 3.617 20 0 HHADMP CC[C@@H](C)[NH2+][C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)c1ccco1 ZINC000509566202 1003948505 /nfs/dbraw/zinc/94/85/05/1003948505.db2.gz DGTPBYFHGSDPLV-NQIIRXRSSA-N 2 1 416.541 3.765 20 0 HHADMP CC[C@@H](C)[NH2+][C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)c1ccco1 ZINC000509566202 1003948508 /nfs/dbraw/zinc/94/85/08/1003948508.db2.gz DGTPBYFHGSDPLV-NQIIRXRSSA-N 2 1 416.541 3.765 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000500830048 1003988196 /nfs/dbraw/zinc/98/81/96/1003988196.db2.gz FQJORNPGLOREDH-FQEVSTJZSA-N 2 1 401.599 3.594 20 0 HHADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)s1 ZINC000512082721 1004009652 /nfs/dbraw/zinc/00/96/52/1004009652.db2.gz GUIWOBKFXXQTAZ-CQSZACIVSA-N 2 1 409.397 3.583 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000509686773 1004030370 /nfs/dbraw/zinc/03/03/70/1004030370.db2.gz SJCQEOCFZUKDHC-DEOSSOPVSA-N 2 1 422.598 3.595 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000509686773 1004030384 /nfs/dbraw/zinc/03/03/84/1004030384.db2.gz SJCQEOCFZUKDHC-DEOSSOPVSA-N 2 1 422.598 3.595 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000509686773 1004030394 /nfs/dbraw/zinc/03/03/94/1004030394.db2.gz SJCQEOCFZUKDHC-DEOSSOPVSA-N 2 1 422.598 3.595 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000512155931 1004063632 /nfs/dbraw/zinc/06/36/32/1004063632.db2.gz LGEULARJFZARGR-FCHUYYIVSA-N 2 1 400.611 3.707 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000512155931 1004063637 /nfs/dbraw/zinc/06/36/37/1004063637.db2.gz LGEULARJFZARGR-FCHUYYIVSA-N 2 1 400.611 3.707 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000512155931 1004063644 /nfs/dbraw/zinc/06/36/44/1004063644.db2.gz LGEULARJFZARGR-FCHUYYIVSA-N 2 1 400.611 3.707 20 0 HHADMP C[NH+]1CCC([C@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)C2)CC1 ZINC000512163674 1004069265 /nfs/dbraw/zinc/06/92/65/1004069265.db2.gz GZDZRCLARSGOPN-XZOQPEGZSA-N 2 1 412.622 3.660 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cccc(OCc4ccccn4)c3)CC2)C[C@H](C)O1 ZINC000512179615 1004082160 /nfs/dbraw/zinc/08/21/60/1004082160.db2.gz LWNIIRKMQJNJEU-OYRHEFFESA-N 2 1 409.574 3.982 20 0 HHADMP CSc1cc2c(cc1C[NH+]1CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC1)OCCO2 ZINC000512182484 1004084677 /nfs/dbraw/zinc/08/46/77/1004084677.db2.gz RYOLGMMPHBQYTE-CALCHBBNSA-N 2 1 406.592 3.501 20 0 HHADMP CCOc1c(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(C)nn1CC(C)C ZINC000512196656 1004097344 /nfs/dbraw/zinc/09/73/44/1004097344.db2.gz QDHBDSHVTWWUSW-OALUTQOASA-N 2 1 406.615 3.567 20 0 HHADMP Cc1ccc(NCCCNC(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[nH+]c1 ZINC000509808581 1004114216 /nfs/dbraw/zinc/11/42/16/1004114216.db2.gz UYHLJEMLCMGLCR-RBBKRZOGSA-N 2 1 409.578 3.792 20 0 HHADMP Cc1ccc(NCCCNC(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[nH+]c1 ZINC000509808581 1004114220 /nfs/dbraw/zinc/11/42/20/1004114220.db2.gz UYHLJEMLCMGLCR-RBBKRZOGSA-N 2 1 409.578 3.792 20 0 HHADMP CC(C)[C@H](C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)[NH+]1CCCC1 ZINC000509827871 1004127615 /nfs/dbraw/zinc/12/76/15/1004127615.db2.gz PAXZIOQILARLSU-AOMIVXANSA-N 2 1 422.013 3.856 20 0 HHADMP C[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501029653 1004133463 /nfs/dbraw/zinc/13/34/63/1004133463.db2.gz IVBYIXHQCDDAFF-LJQANCHMSA-N 2 1 424.372 3.977 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2ccc3c(c2)OCO3)C2(C)CCCC2)CC1 ZINC000501036025 1004138902 /nfs/dbraw/zinc/13/89/02/1004138902.db2.gz MDXAKCCWEKOPCQ-UHFFFAOYSA-N 2 1 401.595 3.966 20 0 HHADMP CSc1ccc(CN(C)C(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501037603 1004141159 /nfs/dbraw/zinc/14/11/59/1004141159.db2.gz HIGYQNYTARBCNK-UHFFFAOYSA-N 2 1 412.603 3.610 20 0 HHADMP C[C@@H](C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501060156 1004162328 /nfs/dbraw/zinc/16/23/28/1004162328.db2.gz QNUIUGYPYWHPSH-KRWDZBQOSA-N 2 1 411.512 3.685 20 0 HHADMP C[N@@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501073733 1004176776 /nfs/dbraw/zinc/17/67/76/1004176776.db2.gz FZBDFHGJSNHHEN-XMMPIXPASA-N 2 1 406.574 3.814 20 0 HHADMP CCC[N@H+](C[C@@H](O)COc1ccccc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512282656 1004184064 /nfs/dbraw/zinc/18/40/64/1004184064.db2.gz MYTHKUQEAYPQJS-JOCHJYFZSA-N 2 1 412.578 3.523 20 0 HHADMP CCC[N@@H+](C[C@@H](O)COc1ccccc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512282656 1004184074 /nfs/dbraw/zinc/18/40/74/1004184074.db2.gz MYTHKUQEAYPQJS-JOCHJYFZSA-N 2 1 412.578 3.523 20 0 HHADMP c1ccc(C[NH+]2CC[C@@]3(CCN(C[C@@H]4C[N@@H+](Cc5ccccc5)CCCO4)C3)C2)cc1 ZINC000512284797 1004187249 /nfs/dbraw/zinc/18/72/49/1004187249.db2.gz DKCSGTMHDXJYSI-RRPNLBNLSA-N 2 1 419.613 3.876 20 0 HHADMP c1ccc(C[N@H+]2CC[C@@]3(CCN(C[C@@H]4C[NH+](Cc5ccccc5)CCCO4)C3)C2)cc1 ZINC000512284797 1004187252 /nfs/dbraw/zinc/18/72/52/1004187252.db2.gz DKCSGTMHDXJYSI-RRPNLBNLSA-N 2 1 419.613 3.876 20 0 HHADMP c1ccc(C[N@@H+]2CC[C@@]3(CCN(C[C@@H]4C[NH+](Cc5ccccc5)CCCO4)C3)C2)cc1 ZINC000512284797 1004187257 /nfs/dbraw/zinc/18/72/57/1004187257.db2.gz DKCSGTMHDXJYSI-RRPNLBNLSA-N 2 1 419.613 3.876 20 0 HHADMP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000501082717 1004187542 /nfs/dbraw/zinc/18/75/42/1004187542.db2.gz AKZOTTLNEMPTHZ-NQIIRXRSSA-N 2 1 424.992 3.989 20 0 HHADMP CN(C(=O)NC[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000501093675 1004198495 /nfs/dbraw/zinc/19/84/95/1004198495.db2.gz ZGEFRHOSMSTXEZ-QKZVEHONSA-N 2 1 422.976 3.739 20 0 HHADMP CN(C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000501093675 1004198499 /nfs/dbraw/zinc/19/84/99/1004198499.db2.gz ZGEFRHOSMSTXEZ-QKZVEHONSA-N 2 1 422.976 3.739 20 0 HHADMP CN(C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000501093675 1004198503 /nfs/dbraw/zinc/19/85/03/1004198503.db2.gz ZGEFRHOSMSTXEZ-QKZVEHONSA-N 2 1 422.976 3.739 20 0 HHADMP CC(C)CN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)C1CC[NH+](C)CC1 ZINC000512339706 1004227879 /nfs/dbraw/zinc/22/78/79/1004227879.db2.gz YZLQUDHXXOZQPS-OAQYLSRUSA-N 2 1 407.549 3.723 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000501172981 1004253763 /nfs/dbraw/zinc/25/37/63/1004253763.db2.gz JNSYTBJDUSLUMB-SFTDATJTSA-N 2 1 400.592 3.705 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000512423919 1004289580 /nfs/dbraw/zinc/28/95/80/1004289580.db2.gz LNBNMKPJVQIVMC-YFNKSVMNSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000512424414 1004290138 /nfs/dbraw/zinc/29/01/38/1004290138.db2.gz QEZCTSWPITYHFM-AGILITTLSA-N 2 1 412.622 3.660 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000512424414 1004290147 /nfs/dbraw/zinc/29/01/47/1004290147.db2.gz QEZCTSWPITYHFM-AGILITTLSA-N 2 1 412.622 3.660 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000512424414 1004290154 /nfs/dbraw/zinc/29/01/54/1004290154.db2.gz QEZCTSWPITYHFM-AGILITTLSA-N 2 1 412.622 3.660 20 0 HHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000501388899 1004384897 /nfs/dbraw/zinc/38/48/97/1004384897.db2.gz VLDFUBDMDRFMSI-BLKABHOGSA-N 2 1 412.578 3.919 20 0 HHADMP CCC[N@H+](CCC(=O)Nc1ccccc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510234852 1004413874 /nfs/dbraw/zinc/41/38/74/1004413874.db2.gz CSUYPTHGHGIRFV-UHFFFAOYSA-N 2 1 413.541 3.942 20 0 HHADMP CCC[N@@H+](CCC(=O)Nc1ccccc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510234852 1004413882 /nfs/dbraw/zinc/41/38/82/1004413882.db2.gz CSUYPTHGHGIRFV-UHFFFAOYSA-N 2 1 413.541 3.942 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@H]1c1ccc(F)c(F)c1 ZINC000501427739 1004414380 /nfs/dbraw/zinc/41/43/80/1004414380.db2.gz ZQOMQMDGTJJNTL-ZEYKOETJSA-N 2 1 420.548 3.755 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@H]1c1ccc(F)c(F)c1 ZINC000501427739 1004414385 /nfs/dbraw/zinc/41/43/85/1004414385.db2.gz ZQOMQMDGTJJNTL-ZEYKOETJSA-N 2 1 420.548 3.755 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H]1c1ccc(F)c(F)c1 ZINC000501427739 1004414389 /nfs/dbraw/zinc/41/43/89/1004414389.db2.gz ZQOMQMDGTJJNTL-ZEYKOETJSA-N 2 1 420.548 3.755 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1c1ccc(F)c(F)c1 ZINC000501427739 1004414394 /nfs/dbraw/zinc/41/43/94/1004414394.db2.gz ZQOMQMDGTJJNTL-ZEYKOETJSA-N 2 1 420.548 3.755 20 0 HHADMP CCC[N@H+](CC(=O)N[C@@H](C)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510238331 1004415784 /nfs/dbraw/zinc/41/57/84/1004415784.db2.gz DFUHOWBOOFAREM-IBGZPJMESA-N 2 1 409.578 3.652 20 0 HHADMP CCC[N@@H+](CC(=O)N[C@@H](C)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510238331 1004415793 /nfs/dbraw/zinc/41/57/93/1004415793.db2.gz DFUHOWBOOFAREM-IBGZPJMESA-N 2 1 409.578 3.652 20 0 HHADMP CCC[N@H+](CC(=O)Nc1ccc(CC)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510247751 1004423644 /nfs/dbraw/zinc/42/36/44/1004423644.db2.gz ZZGSYBOHPLFUGE-UHFFFAOYSA-N 2 1 409.578 3.975 20 0 HHADMP CCC[N@@H+](CC(=O)Nc1ccc(CC)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510247751 1004423649 /nfs/dbraw/zinc/42/36/49/1004423649.db2.gz ZZGSYBOHPLFUGE-UHFFFAOYSA-N 2 1 409.578 3.975 20 0 HHADMP O[C@]1(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC[NH+](Cc2ccccc2)C1 ZINC000512611230 1004424436 /nfs/dbraw/zinc/42/44/36/1004424436.db2.gz JAYJFOSZKBMCJD-NFGXINMFSA-N 2 1 419.613 3.514 20 0 HHADMP O[C@]1(CN[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)CC[N@H+](Cc2ccccc2)C1 ZINC000512611230 1004424445 /nfs/dbraw/zinc/42/44/45/1004424445.db2.gz JAYJFOSZKBMCJD-NFGXINMFSA-N 2 1 419.613 3.514 20 0 HHADMP O[C@]1(CN[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)CC[N@@H+](Cc2ccccc2)C1 ZINC000512611230 1004424450 /nfs/dbraw/zinc/42/44/50/1004424450.db2.gz JAYJFOSZKBMCJD-NFGXINMFSA-N 2 1 419.613 3.514 20 0 HHADMP O[C@]1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCN(Cc2ccccc2)C1 ZINC000512611230 1004424454 /nfs/dbraw/zinc/42/44/54/1004424454.db2.gz JAYJFOSZKBMCJD-NFGXINMFSA-N 2 1 419.613 3.514 20 0 HHADMP O[C@]1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCN(Cc2ccccc2)C1 ZINC000512611230 1004424459 /nfs/dbraw/zinc/42/44/59/1004424459.db2.gz JAYJFOSZKBMCJD-NFGXINMFSA-N 3 1 419.613 3.514 20 0 HHADMP COC(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512653966 1004466470 /nfs/dbraw/zinc/46/64/70/1004466470.db2.gz IGSFBTJYMCQLSB-OEMFJLHTSA-N 2 1 408.542 3.629 20 0 HHADMP CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000512667238 1004476904 /nfs/dbraw/zinc/47/69/04/1004476904.db2.gz OMXPWYFXHYMMOK-KMDXXIMOSA-N 2 1 412.599 3.622 20 0 HHADMP C[NH+]1CCN(c2ncc(C[NH+]3CCC(c4cccc5ccccc54)CC3)cn2)CC1 ZINC000512668810 1004478651 /nfs/dbraw/zinc/47/86/51/1004478651.db2.gz OBOGMFDFCCMCKE-UHFFFAOYSA-N 2 1 401.558 3.761 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000510324708 1004481955 /nfs/dbraw/zinc/48/19/55/1004481955.db2.gz RMHNGVPETMNCSV-NZQKXSOJSA-N 2 1 400.611 3.708 20 0 HHADMP COCC[N@@H+](C)CCCC1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000501646356 1004573324 /nfs/dbraw/zinc/57/33/24/1004573324.db2.gz LAYCPMCUPGBMAK-UHFFFAOYSA-N 2 1 415.578 3.705 20 0 HHADMP O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000512825820 1004584413 /nfs/dbraw/zinc/58/44/13/1004584413.db2.gz GYOJNRKVAPDNPR-WOJBJXKFSA-N 2 1 424.511 3.550 20 0 HHADMP C[C@H](NC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512829507 1004587550 /nfs/dbraw/zinc/58/75/50/1004587550.db2.gz VBQFLYTVFHEYDD-IRFCIJBXSA-N 2 1 414.594 3.854 20 0 HHADMP C[C@H](NC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512829507 1004587557 /nfs/dbraw/zinc/58/75/57/1004587557.db2.gz VBQFLYTVFHEYDD-IRFCIJBXSA-N 2 1 414.594 3.854 20 0 HHADMP O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000512839059 1004599456 /nfs/dbraw/zinc/59/94/56/1004599456.db2.gz QSJMWBQRMBBUJR-UXHICEINSA-N 2 1 424.511 3.550 20 0 HHADMP CC[NH+](CC)Cc1ccc(CNC(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000501753907 1004682853 /nfs/dbraw/zinc/68/28/53/1004682853.db2.gz DCNWKUHNJWFPPO-UHFFFAOYSA-N 2 1 408.590 3.776 20 0 HHADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000501756942 1004688302 /nfs/dbraw/zinc/68/83/02/1004688302.db2.gz TXAHHGUMEADSED-XMMPIXPASA-N 2 1 406.574 3.571 20 0 HHADMP C[NH+](C)CCCC1CC[NH+](Cc2csc(CNC(=O)c3ccccc3)n2)CC1 ZINC000501797095 1004739634 /nfs/dbraw/zinc/73/96/34/1004739634.db2.gz VVEWAYAGOLIUAK-UHFFFAOYSA-N 2 1 400.592 3.627 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000501823783 1004759245 /nfs/dbraw/zinc/75/92/45/1004759245.db2.gz GQMUHIXPHVUECL-XJUOHMSHSA-N 2 1 400.611 3.881 20 0 HHADMP C[N@@H+](Cc1ccccc1NC(=O)c1cccc(N2CC[NH+](C)CC2)n1)C1CCCCC1 ZINC000502084267 1004895449 /nfs/dbraw/zinc/89/54/49/1004895449.db2.gz BVBNKUXLNVDZNR-UHFFFAOYSA-N 2 1 421.589 3.850 20 0 HHADMP CC[NH+](CC)CCOc1ccc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000510976714 1004962521 /nfs/dbraw/zinc/96/25/21/1004962521.db2.gz VIQOIXFWFZKLRE-CTNGQTDRSA-N 2 1 401.595 3.790 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCO[C@H](c3cccc(OC)c3)C2)CC1 ZINC000513438927 1004966485 /nfs/dbraw/zinc/96/64/85/1004966485.db2.gz MLWJETHAMHYXLX-VWLOTQADSA-N 2 1 409.574 3.801 20 0 HHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCO[C@H](c3cccc(OC)c3)C2)CC1 ZINC000513438927 1004966492 /nfs/dbraw/zinc/96/64/92/1004966492.db2.gz MLWJETHAMHYXLX-VWLOTQADSA-N 2 1 409.574 3.801 20 0 HHADMP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511004300 1004975676 /nfs/dbraw/zinc/97/56/76/1004975676.db2.gz YEOUYAXOXKRWQU-APWZRJJASA-N 2 1 405.384 3.924 20 0 HHADMP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511004300 1004975679 /nfs/dbraw/zinc/97/56/79/1004975679.db2.gz YEOUYAXOXKRWQU-APWZRJJASA-N 2 1 405.384 3.924 20 0 HHADMP COc1cc(C)c(C[C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1OC ZINC000502274033 1004988944 /nfs/dbraw/zinc/98/89/44/1004988944.db2.gz MONSGIZDDYPEEH-WOJBJXKFSA-N 2 1 412.574 3.954 20 0 HHADMP COc1cc(C)c(C[C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1OC ZINC000502274033 1004988948 /nfs/dbraw/zinc/98/89/48/1004988948.db2.gz MONSGIZDDYPEEH-WOJBJXKFSA-N 2 1 412.574 3.954 20 0 HHADMP O=C(NC[C@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000513559744 1005022363 /nfs/dbraw/zinc/02/23/63/1005022363.db2.gz IMNHAVPSTIKJAJ-ISKFKSNPSA-N 2 1 409.549 3.819 20 0 HHADMP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000513559744 1005022369 /nfs/dbraw/zinc/02/23/69/1005022369.db2.gz IMNHAVPSTIKJAJ-ISKFKSNPSA-N 2 1 409.549 3.819 20 0 HHADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000513559744 1005022374 /nfs/dbraw/zinc/02/23/74/1005022374.db2.gz IMNHAVPSTIKJAJ-ISKFKSNPSA-N 2 1 409.549 3.819 20 0 HHADMP C[C@@H](NC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000511226683 1005081383 /nfs/dbraw/zinc/08/13/83/1005081383.db2.gz CJNJJKNNDBANPF-OAQYLSRUSA-N 2 1 412.622 3.671 20 0 HHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511228746 1005082680 /nfs/dbraw/zinc/08/26/80/1005082680.db2.gz OLJISTIEKXNDNB-KNQAVFIVSA-N 2 1 400.611 3.933 20 0 HHADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511232958 1005084408 /nfs/dbraw/zinc/08/44/08/1005084408.db2.gz XBHDZXPFOXXHAW-TYPHKJRUSA-N 2 1 401.570 3.807 20 0 HHADMP C[C@H](NC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511232958 1005084415 /nfs/dbraw/zinc/08/44/15/1005084415.db2.gz XBHDZXPFOXXHAW-TYPHKJRUSA-N 2 1 401.570 3.807 20 0 HHADMP C[C@H](NC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511232958 1005084421 /nfs/dbraw/zinc/08/44/21/1005084421.db2.gz XBHDZXPFOXXHAW-TYPHKJRUSA-N 2 1 401.570 3.807 20 0 HHADMP CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CC2 ZINC000513692306 1005084458 /nfs/dbraw/zinc/08/44/58/1005084458.db2.gz YYHAWTVUIDKVHO-GSPCLOLRSA-N 2 1 407.606 3.997 20 0 HHADMP C[C@H](NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511292750 1005111283 /nfs/dbraw/zinc/11/12/83/1005111283.db2.gz KBAPVHAQTGJLFJ-PMVMPFDFSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@H](NC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511292750 1005111286 /nfs/dbraw/zinc/11/12/86/1005111286.db2.gz KBAPVHAQTGJLFJ-PMVMPFDFSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@H](NC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511292750 1005111296 /nfs/dbraw/zinc/11/12/96/1005111296.db2.gz KBAPVHAQTGJLFJ-PMVMPFDFSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@H](NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511294750 1005112232 /nfs/dbraw/zinc/11/22/32/1005112232.db2.gz RVOWKWGZVKZBNA-UNMCSNQZSA-N 2 1 404.643 3.937 20 0 HHADMP C[C@H](NC(=O)N1CCC[NH+](CC2CCCCC2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511294750 1005112234 /nfs/dbraw/zinc/11/22/34/1005112234.db2.gz RVOWKWGZVKZBNA-UNMCSNQZSA-N 2 1 404.643 3.937 20 0 HHADMP C[C@H](NC(=O)N1CCC[NH+](CC2CCCCC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511294750 1005112235 /nfs/dbraw/zinc/11/22/35/1005112235.db2.gz RVOWKWGZVKZBNA-UNMCSNQZSA-N 2 1 404.643 3.937 20 0 HHADMP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)C1 ZINC000502591174 1005131003 /nfs/dbraw/zinc/13/10/03/1005131003.db2.gz KZUNLIIBSHXFLC-HXUWFJFHSA-N 2 1 418.585 3.816 20 0 HHADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)C1 ZINC000502591174 1005131007 /nfs/dbraw/zinc/13/10/07/1005131007.db2.gz KZUNLIIBSHXFLC-HXUWFJFHSA-N 2 1 418.585 3.816 20 0 HHADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000502670605 1005171835 /nfs/dbraw/zinc/17/18/35/1005171835.db2.gz PRHGSMRVHBZHFS-UHFFFAOYSA-N 2 1 412.622 3.732 20 0 HHADMP COc1ccc([C@H](CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)[NH+]2CCCC2)cc1 ZINC000502863394 1005248559 /nfs/dbraw/zinc/24/85/59/1005248559.db2.gz QCAVKUNAHYDOPY-OFNKIYASSA-N 2 1 416.610 3.786 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)cc1 ZINC000511636421 1005254515 /nfs/dbraw/zinc/25/45/15/1005254515.db2.gz NRDNLCGNSHQAMW-QHCPKHFHSA-N 2 1 422.573 3.621 20 0 HHADMP CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCC[C@H]3C(N)=O)c2)cc1 ZINC000511636421 1005254518 /nfs/dbraw/zinc/25/45/18/1005254518.db2.gz NRDNLCGNSHQAMW-QHCPKHFHSA-N 2 1 422.573 3.621 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCC[C@H]3C(N)=O)c2)cc1 ZINC000511636421 1005254522 /nfs/dbraw/zinc/25/45/22/1005254522.db2.gz NRDNLCGNSHQAMW-QHCPKHFHSA-N 2 1 422.573 3.621 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)cc1 ZINC000511636421 1005254524 /nfs/dbraw/zinc/25/45/24/1005254524.db2.gz NRDNLCGNSHQAMW-QHCPKHFHSA-N 2 1 422.573 3.621 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)cc1 ZINC000511636421 1005254525 /nfs/dbraw/zinc/25/45/25/1005254525.db2.gz NRDNLCGNSHQAMW-QHCPKHFHSA-N 2 1 422.573 3.621 20 0 HHADMP O=C([C@@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000511648102 1005260674 /nfs/dbraw/zinc/26/06/74/1005260674.db2.gz NNKWNEUKIVQHKI-HSZRJFAPSA-N 2 1 409.549 3.772 20 0 HHADMP O=C([C@@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000511648102 1005260678 /nfs/dbraw/zinc/26/06/78/1005260678.db2.gz NNKWNEUKIVQHKI-HSZRJFAPSA-N 2 1 409.549 3.772 20 0 HHADMP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000511648102 1005260682 /nfs/dbraw/zinc/26/06/82/1005260682.db2.gz NNKWNEUKIVQHKI-HSZRJFAPSA-N 2 1 409.549 3.772 20 0 HHADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000511648102 1005260686 /nfs/dbraw/zinc/26/06/86/1005260686.db2.gz NNKWNEUKIVQHKI-HSZRJFAPSA-N 2 1 409.549 3.772 20 0 HHADMP CN(C(=O)NCCC[N@@H+](C)C1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000502916760 1005273513 /nfs/dbraw/zinc/27/35/13/1005273513.db2.gz HIETYCFGIPQZEY-UHFFFAOYSA-N 2 1 400.611 3.947 20 0 HHADMP CO[C@H](C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(Cl)cc1 ZINC000514142691 1005286717 /nfs/dbraw/zinc/28/67/17/1005286717.db2.gz VLJHESFFLLGTRY-KGVIQGDOSA-N 2 1 410.986 3.618 20 0 HHADMP CO[C@H](C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(Cl)cc1 ZINC000514142691 1005286723 /nfs/dbraw/zinc/28/67/23/1005286723.db2.gz VLJHESFFLLGTRY-KGVIQGDOSA-N 2 1 410.986 3.618 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)Cc1ccccc1 ZINC000514171702 1005297896 /nfs/dbraw/zinc/29/78/96/1005297896.db2.gz FYVCQJZRULZFGT-RUZDIDTESA-N 2 1 422.617 3.509 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1F ZINC000514213032 1005316208 /nfs/dbraw/zinc/31/62/08/1005316208.db2.gz CKNVVWPBFOZWLQ-JOCHJYFZSA-N 2 1 421.520 3.956 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)NCC[N@@H+]1CCc2sccc2C1)c1ccsc1 ZINC000514217855 1005318346 /nfs/dbraw/zinc/31/83/46/1005318346.db2.gz GCJLEPUJKPCZKM-GOSISDBHSA-N 2 1 406.621 3.550 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)NCC[N@H+]1CCc2sccc2C1)c1ccsc1 ZINC000514217855 1005318350 /nfs/dbraw/zinc/31/83/50/1005318350.db2.gz GCJLEPUJKPCZKM-GOSISDBHSA-N 2 1 406.621 3.550 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@@H+]1CCc2sccc2C1)c1ccsc1 ZINC000514217856 1005318458 /nfs/dbraw/zinc/31/84/58/1005318458.db2.gz GCJLEPUJKPCZKM-SFHVURJKSA-N 2 1 406.621 3.550 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@H+]1CCc2sccc2C1)c1ccsc1 ZINC000514217856 1005318463 /nfs/dbraw/zinc/31/84/63/1005318463.db2.gz GCJLEPUJKPCZKM-SFHVURJKSA-N 2 1 406.621 3.550 20 0 HHADMP CCCOc1nc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)cc2ccccc21 ZINC000514237501 1005326741 /nfs/dbraw/zinc/32/67/41/1005326741.db2.gz JINWAUVGIHEKCW-FQEVSTJZSA-N 2 1 412.578 3.512 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000503050638 1005328285 /nfs/dbraw/zinc/32/82/85/1005328285.db2.gz OHZBYUNPHREGHI-FDFHNCONSA-N 2 1 424.614 3.774 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000503050638 1005328288 /nfs/dbraw/zinc/32/82/88/1005328288.db2.gz OHZBYUNPHREGHI-FDFHNCONSA-N 2 1 424.614 3.774 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000503050638 1005328292 /nfs/dbraw/zinc/32/82/92/1005328292.db2.gz OHZBYUNPHREGHI-FDFHNCONSA-N 2 1 424.614 3.774 20 0 HHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000503050638 1005328294 /nfs/dbraw/zinc/32/82/94/1005328294.db2.gz OHZBYUNPHREGHI-FDFHNCONSA-N 2 1 424.614 3.774 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000514312049 1005335606 /nfs/dbraw/zinc/33/56/06/1005335606.db2.gz VWPQYBZKVQSXOM-DQEYMECFSA-N 2 1 420.601 3.807 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000514312049 1005335614 /nfs/dbraw/zinc/33/56/14/1005335614.db2.gz VWPQYBZKVQSXOM-DQEYMECFSA-N 2 1 420.601 3.807 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000514312049 1005335619 /nfs/dbraw/zinc/33/56/19/1005335619.db2.gz VWPQYBZKVQSXOM-DQEYMECFSA-N 2 1 420.601 3.807 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000514312052 1005335830 /nfs/dbraw/zinc/33/58/30/1005335830.db2.gz VWPQYBZKVQSXOM-RPBOFIJWSA-N 2 1 420.601 3.807 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000514312052 1005335838 /nfs/dbraw/zinc/33/58/38/1005335838.db2.gz VWPQYBZKVQSXOM-RPBOFIJWSA-N 2 1 420.601 3.807 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000514312052 1005335845 /nfs/dbraw/zinc/33/58/45/1005335845.db2.gz VWPQYBZKVQSXOM-RPBOFIJWSA-N 2 1 420.601 3.807 20 0 HHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000503081977 1005342608 /nfs/dbraw/zinc/34/26/08/1005342608.db2.gz VLHSGVLRDUJTKL-HNNXBMFYSA-N 2 1 414.331 3.619 20 0 HHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000503356760 1005396981 /nfs/dbraw/zinc/39/69/81/1005396981.db2.gz OHVRRGBQEMWANZ-BKULYWANSA-N 2 1 408.590 3.808 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NCCC3CC[NH+](C)CC3)cc2)C1 ZINC000503466134 1005429103 /nfs/dbraw/zinc/42/91/03/1005429103.db2.gz RQVLQKDEBHPTAR-BGYRXZFFSA-N 2 1 400.611 3.696 20 0 HHADMP O=C(C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N[C@@H]1CCOc2ccccc21 ZINC000503888725 1005505296 /nfs/dbraw/zinc/50/52/96/1005505296.db2.gz BOWZYKSWYRSFEO-MSNJVRRCSA-N 2 1 419.569 3.517 20 0 HHADMP COc1cccc([C@@H]2[C@@H](NC(=O)N(C)CC[NH+](C(C)C)C(C)C)CC[N@H+]2C2CC2)c1 ZINC000504402476 1005619323 /nfs/dbraw/zinc/61/93/23/1005619323.db2.gz AMVPZFBKUKPJFP-XZOQPEGZSA-N 2 1 416.610 3.733 20 0 HHADMP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000514446077 1005994858 /nfs/dbraw/zinc/99/48/58/1005994858.db2.gz UOLIKXBLXQMTLG-DEOSSOPVSA-N 2 1 406.574 3.741 20 0 HHADMP C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000534054500 1006023783 /nfs/dbraw/zinc/02/37/83/1006023783.db2.gz CXDXIGZVKVTVMI-FKBYEOEOSA-N 2 1 412.965 3.659 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000534054500 1006023795 /nfs/dbraw/zinc/02/37/95/1006023795.db2.gz CXDXIGZVKVTVMI-FKBYEOEOSA-N 2 1 412.965 3.659 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000534054500 1006023806 /nfs/dbraw/zinc/02/38/06/1006023806.db2.gz CXDXIGZVKVTVMI-FKBYEOEOSA-N 2 1 412.965 3.659 20 0 HHADMP C[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000534054500 1006023817 /nfs/dbraw/zinc/02/38/17/1006023817.db2.gz CXDXIGZVKVTVMI-FKBYEOEOSA-N 2 1 412.965 3.659 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000534181162 1006169484 /nfs/dbraw/zinc/16/94/84/1006169484.db2.gz GSKNFKRPUXYISW-RPBOFIJWSA-N 2 1 423.601 3.531 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000534181162 1006169487 /nfs/dbraw/zinc/16/94/87/1006169487.db2.gz GSKNFKRPUXYISW-RPBOFIJWSA-N 2 1 423.601 3.531 20 0 HHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000534181162 1006169492 /nfs/dbraw/zinc/16/94/92/1006169492.db2.gz GSKNFKRPUXYISW-RPBOFIJWSA-N 2 1 423.601 3.531 20 0 HHADMP C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000534233886 1006235161 /nfs/dbraw/zinc/23/51/61/1006235161.db2.gz FXXFWEXPSDXRLH-LJQANCHMSA-N 2 1 412.553 3.693 20 0 HHADMP COc1ccc([C@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)N2CCOCC2)cc1 ZINC000531692493 1006357394 /nfs/dbraw/zinc/35/73/94/1006357394.db2.gz CNFNVYWOXWFFEJ-CLOONOSVSA-N 2 1 420.557 3.913 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CSCCc4ccccc43)c2)C1 ZINC000531714448 1006373222 /nfs/dbraw/zinc/37/32/22/1006373222.db2.gz QARYEOHTAXOFRJ-FYYLOGMGSA-N 2 1 409.599 3.504 20 0 HHADMP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1Cl ZINC000531719790 1006377135 /nfs/dbraw/zinc/37/71/35/1006377135.db2.gz PQMPQXDMWGCJLA-UZLBHIALSA-N 2 1 415.965 3.897 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000515291717 1006380839 /nfs/dbraw/zinc/38/08/39/1006380839.db2.gz HZZBHWGRFJEMRG-RXVVDRJESA-N 2 1 400.954 3.516 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000515291717 1006380853 /nfs/dbraw/zinc/38/08/53/1006380853.db2.gz HZZBHWGRFJEMRG-RXVVDRJESA-N 2 1 400.954 3.516 20 0 HHADMP C[NH+]1CCC([C@@H]2CCN(C(=O)[C@]3(C(F)(F)F)CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000534408908 1006384124 /nfs/dbraw/zinc/38/41/24/1006384124.db2.gz FBBHZMWNRFFNTQ-IRLDBZIGSA-N 2 1 423.523 3.631 20 0 HHADMP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1OCc1ccccc1 ZINC000531759441 1006403339 /nfs/dbraw/zinc/40/33/39/1006403339.db2.gz RAPIRMHDEDVQMF-PKTZIBPZSA-N 2 1 410.558 3.742 20 0 HHADMP Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000515476572 1006489540 /nfs/dbraw/zinc/48/95/40/1006489540.db2.gz LYZZKUZNROPSAQ-FPOVZHCZSA-N 2 1 410.562 3.720 20 0 HHADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000515547357 1006527352 /nfs/dbraw/zinc/52/73/52/1006527352.db2.gz VOCGFWVBYZDENF-DEOSSOPVSA-N 2 1 407.558 3.719 20 0 HHADMP COc1ccc([C@H](C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)N2CCOCC2)cc1 ZINC000531947735 1006537722 /nfs/dbraw/zinc/53/77/22/1006537722.db2.gz KYYZKNBIKSAVMA-PBXXJUDPSA-N 2 1 415.622 3.701 20 0 HHADMP OC[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(OC(F)(F)F)cc1 ZINC000532015642 1006577172 /nfs/dbraw/zinc/57/71/72/1006577172.db2.gz KUWOHQVESIUJAD-FQEVSTJZSA-N 2 1 422.491 3.990 20 0 HHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000532103233 1006637092 /nfs/dbraw/zinc/63/70/92/1006637092.db2.gz QERRGZMUKZWTMP-NRFANRHFSA-N 2 1 414.619 3.726 20 0 HHADMP CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)c1 ZINC000515756370 1006645715 /nfs/dbraw/zinc/64/57/15/1006645715.db2.gz AOOXJFVFGNHCFT-RTBURBONSA-N 2 1 422.573 3.537 20 0 HHADMP COc1cccc(CNC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000515757999 1006647871 /nfs/dbraw/zinc/64/78/71/1006647871.db2.gz TYGWHXUHMVZQJL-QHAWAJNXSA-N 2 1 423.601 3.968 20 0 HHADMP C[N@H+]1CC[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1c1ccccc1 ZINC000534682825 1006662021 /nfs/dbraw/zinc/66/20/21/1006662021.db2.gz MVRJEQZEMJRUEK-ZEQRLZLVSA-N 2 1 406.574 3.917 20 0 HHADMP C[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)[C@H]1c1ccccc1 ZINC000534682823 1006662424 /nfs/dbraw/zinc/66/24/24/1006662424.db2.gz MVRJEQZEMJRUEK-DNQXCXABSA-N 2 1 406.574 3.917 20 0 HHADMP CC[C@H](CNC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000515790534 1006673373 /nfs/dbraw/zinc/67/33/73/1006673373.db2.gz LNZFKJFHAXBNRS-DHIUTWEWSA-N 2 1 412.553 3.565 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)o1 ZINC000515804529 1006685580 /nfs/dbraw/zinc/68/55/80/1006685580.db2.gz RTSBWMFECLUFOU-FQEVSTJZSA-N 2 1 406.958 3.618 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)CC1 ZINC000532183869 1006702952 /nfs/dbraw/zinc/70/29/52/1006702952.db2.gz UGBFYTOOXIBSIW-XUZZJYLKSA-N 2 1 412.622 3.797 20 0 HHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000532183869 1006702966 /nfs/dbraw/zinc/70/29/66/1006702966.db2.gz UGBFYTOOXIBSIW-XUZZJYLKSA-N 2 1 412.622 3.797 20 0 HHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000532183869 1006702979 /nfs/dbraw/zinc/70/29/79/1006702979.db2.gz UGBFYTOOXIBSIW-XUZZJYLKSA-N 2 1 412.622 3.797 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc(OCCN3CCOCC3)c2)cc1 ZINC000532204518 1006719924 /nfs/dbraw/zinc/71/99/24/1006719924.db2.gz PWFMGJPYIZPWER-HXUWFJFHSA-N 2 1 420.557 3.743 20 0 HHADMP CC(=O)c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000515874119 1006729933 /nfs/dbraw/zinc/72/99/33/1006729933.db2.gz FDENRCGDCCAHII-DVECYGJZSA-N 2 1 410.558 3.651 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000534789013 1006789289 /nfs/dbraw/zinc/78/92/89/1006789289.db2.gz FLOJTUMTCZENTL-LEWJYISDSA-N 2 1 400.954 3.646 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000534789013 1006789302 /nfs/dbraw/zinc/78/93/02/1006789302.db2.gz FLOJTUMTCZENTL-LEWJYISDSA-N 2 1 400.954 3.646 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000538536057 1006797924 /nfs/dbraw/zinc/79/79/24/1006797924.db2.gz NCLKDTZNHSLZKK-NLFFAJNJSA-N 2 1 420.601 3.706 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000538536054 1006798087 /nfs/dbraw/zinc/79/80/87/1006798087.db2.gz NCLKDTZNHSLZKK-CJFMBICVSA-N 2 1 420.601 3.706 20 0 HHADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](CCc3ccccc3)c3ccccc3)cn2)CC1 ZINC000532394291 1006843002 /nfs/dbraw/zinc/84/30/02/1006843002.db2.gz YRNHWMTZTBJOBT-DEOSSOPVSA-N 2 1 401.558 3.692 20 0 HHADMP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000532482525 1006921998 /nfs/dbraw/zinc/92/19/98/1006921998.db2.gz JNFRTOQVDOKOIA-AUSIDOKSSA-N 2 1 421.651 3.647 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N2CCC(C[NH+](C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538664642 1006945178 /nfs/dbraw/zinc/94/51/78/1006945178.db2.gz SBXBGNNGVVDIOZ-NHCUHLMSSA-N 2 1 424.992 3.986 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N2CCC(C[NH+](C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538664642 1006945186 /nfs/dbraw/zinc/94/51/86/1006945186.db2.gz SBXBGNNGVVDIOZ-NHCUHLMSSA-N 2 1 424.992 3.986 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000532521064 1006959151 /nfs/dbraw/zinc/95/91/51/1006959151.db2.gz VKUWUCQOLJOPEH-SJORKVTESA-N 2 1 412.559 3.843 20 0 HHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[NH+](CCc3cccs3)CC2)c1 ZINC000516224696 1006959570 /nfs/dbraw/zinc/95/95/70/1006959570.db2.gz JLLQRCCSSQQOOS-UHFFFAOYSA-N 2 1 414.619 3.660 20 0 HHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c3ccc4ccccc4c3)C2)CC1 ZINC000532568029 1006999308 /nfs/dbraw/zinc/99/93/08/1006999308.db2.gz YARNQINEERPPJJ-STWLZBDKSA-N 2 1 422.617 3.506 20 0 HHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c3ccc4ccccc4c3)C2)CC1 ZINC000532568029 1006999318 /nfs/dbraw/zinc/99/93/18/1006999318.db2.gz YARNQINEERPPJJ-STWLZBDKSA-N 2 1 422.617 3.506 20 0 HHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534958839 1007004137 /nfs/dbraw/zinc/00/41/37/1007004137.db2.gz ISTJHCKZZIMTJH-QKLQHJQFSA-N 2 1 410.965 3.646 20 0 HHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534958839 1007004148 /nfs/dbraw/zinc/00/41/48/1007004148.db2.gz ISTJHCKZZIMTJH-QKLQHJQFSA-N 2 1 410.965 3.646 20 0 HHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534958839 1007004160 /nfs/dbraw/zinc/00/41/60/1007004160.db2.gz ISTJHCKZZIMTJH-QKLQHJQFSA-N 2 1 410.965 3.646 20 0 HHADMP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c(-c2ccncc2)n1 ZINC000538732564 1007013778 /nfs/dbraw/zinc/01/37/78/1007013778.db2.gz YYLZBOCPIQSVPP-VWLOTQADSA-N 2 1 401.558 3.970 20 0 HHADMP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c(-c2ccncc2)n1 ZINC000538732564 1007013785 /nfs/dbraw/zinc/01/37/85/1007013785.db2.gz YYLZBOCPIQSVPP-VWLOTQADSA-N 2 1 401.558 3.970 20 0 HHADMP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c(-c2ccncc2)n1 ZINC000538732564 1007013798 /nfs/dbraw/zinc/01/37/98/1007013798.db2.gz YYLZBOCPIQSVPP-VWLOTQADSA-N 2 1 401.558 3.970 20 0 HHADMP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c(-c2ccncc2)n1 ZINC000538732564 1007013811 /nfs/dbraw/zinc/01/38/11/1007013811.db2.gz YYLZBOCPIQSVPP-VWLOTQADSA-N 2 1 401.558 3.970 20 0 HHADMP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000532635574 1007056104 /nfs/dbraw/zinc/05/61/04/1007056104.db2.gz URMUAJCLSHXFBK-QFIPXVFZSA-N 2 1 422.573 3.797 20 0 HHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccccc2OCC[NH+](C)C)cc1 ZINC000516392329 1007057379 /nfs/dbraw/zinc/05/73/79/1007057379.db2.gz QDAFOKOHJCFANX-FQEVSTJZSA-N 2 1 409.574 3.931 20 0 HHADMP C[NH+]1CCN([C@@H](C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)c2cccs2)CC1 ZINC000535070713 1007091426 /nfs/dbraw/zinc/09/14/26/1007091426.db2.gz WPZLRELNOFZLDR-ACBHZAAOSA-N 2 1 407.624 3.527 20 0 HHADMP COc1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1Br ZINC000535085312 1007098704 /nfs/dbraw/zinc/09/87/04/1007098704.db2.gz ICZPOZAFFLKKJU-IYBDPMFKSA-N 2 1 411.384 3.779 20 0 HHADMP COc1ccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1Br ZINC000535085312 1007098718 /nfs/dbraw/zinc/09/87/18/1007098718.db2.gz ICZPOZAFFLKKJU-IYBDPMFKSA-N 2 1 411.384 3.779 20 0 HHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538854023 1007129158 /nfs/dbraw/zinc/12/91/58/1007129158.db2.gz LNPJXLKHCXVWNQ-QHCPKHFHSA-N 2 1 415.626 3.984 20 0 HHADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000516685489 1007231728 /nfs/dbraw/zinc/23/17/28/1007231728.db2.gz WHAFMRWGKUIUGJ-ATIYNZHBSA-N 2 1 407.602 3.573 20 0 HHADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000539042716 1007339457 /nfs/dbraw/zinc/33/94/57/1007339457.db2.gz GYMXPAPWRQSUPM-SVFBPWRDSA-N 2 1 415.603 3.546 20 0 HHADMP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000535294553 1007346428 /nfs/dbraw/zinc/34/64/28/1007346428.db2.gz NJOPFFPGVDGCPS-ZJSXRUAMSA-N 2 1 406.574 3.727 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000535294553 1007346441 /nfs/dbraw/zinc/34/64/41/1007346441.db2.gz NJOPFFPGVDGCPS-ZJSXRUAMSA-N 2 1 406.574 3.727 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000535294553 1007346456 /nfs/dbraw/zinc/34/64/56/1007346456.db2.gz NJOPFFPGVDGCPS-ZJSXRUAMSA-N 2 1 406.574 3.727 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000535294553 1007346470 /nfs/dbraw/zinc/34/64/70/1007346470.db2.gz NJOPFFPGVDGCPS-ZJSXRUAMSA-N 2 1 406.574 3.727 20 0 HHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCC(=O)Nc3ccccc3-c3ccccc3)C2)CC1 ZINC000532986447 1007356254 /nfs/dbraw/zinc/35/62/54/1007356254.db2.gz NGFXAIAVFZXWPR-HSZRJFAPSA-N 2 1 420.601 3.783 20 0 HHADMP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000539075735 1007367400 /nfs/dbraw/zinc/36/74/00/1007367400.db2.gz JWQZILSUTYWUGK-OAGGEKHMSA-N 2 1 401.364 3.998 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000539088028 1007376872 /nfs/dbraw/zinc/37/68/72/1007376872.db2.gz YJYSDYQHRKCNFS-YJMUNGTFSA-N 2 1 403.570 3.786 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000539088028 1007376886 /nfs/dbraw/zinc/37/68/86/1007376886.db2.gz YJYSDYQHRKCNFS-YJMUNGTFSA-N 2 1 403.570 3.786 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000533048077 1007409784 /nfs/dbraw/zinc/40/97/84/1007409784.db2.gz QUDKACVFSGZSQX-YKSBVNFPSA-N 2 1 406.574 3.778 20 0 HHADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1nc2ccc(Cl)cc2n1C ZINC000539161350 1007460720 /nfs/dbraw/zinc/46/07/20/1007460720.db2.gz MNTYIJRMUIDZLG-BEFAXECRSA-N 2 1 418.010 3.928 20 0 HHADMP Cc1cc(-c2nnc(C[NH+]3CCC(CC[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)o2)c(C)o1 ZINC000535552991 1007590696 /nfs/dbraw/zinc/59/06/96/1007590696.db2.gz GXMWQPSXAVPQKO-IRXDYDNUSA-N 2 1 402.539 3.658 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)o1 ZINC000535559498 1007594000 /nfs/dbraw/zinc/59/40/00/1007594000.db2.gz QNCKEXOWYMNQJA-LEWJYISDSA-N 2 1 418.969 3.760 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)o1 ZINC000535559498 1007594010 /nfs/dbraw/zinc/59/40/10/1007594010.db2.gz QNCKEXOWYMNQJA-LEWJYISDSA-N 2 1 418.969 3.760 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC(=O)Nc2ccc(F)cc2F)CC1 ZINC000539310198 1007608059 /nfs/dbraw/zinc/60/80/59/1007608059.db2.gz MQJPCVDOJSBVQB-HNNXBMFYSA-N 2 1 420.479 3.535 20 0 HHADMP C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2)c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000539377101 1007681929 /nfs/dbraw/zinc/68/19/29/1007681929.db2.gz LAHZGGCVPVMQHA-AWRGLXIESA-N 2 1 420.601 3.717 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535677588 1007704414 /nfs/dbraw/zinc/70/44/14/1007704414.db2.gz VLBQKLHKDFLQKA-PLMNBDQRSA-N 2 1 422.976 3.786 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535677588 1007704425 /nfs/dbraw/zinc/70/44/25/1007704425.db2.gz VLBQKLHKDFLQKA-PLMNBDQRSA-N 2 1 422.976 3.786 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535677588 1007704433 /nfs/dbraw/zinc/70/44/33/1007704433.db2.gz VLBQKLHKDFLQKA-PLMNBDQRSA-N 2 1 422.976 3.786 20 0 HHADMP CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535681866 1007711362 /nfs/dbraw/zinc/71/13/62/1007711362.db2.gz QQXHCOWQQBSWDV-DYESRHJHSA-N 2 1 424.992 3.892 20 0 HHADMP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535699299 1007735947 /nfs/dbraw/zinc/73/59/47/1007735947.db2.gz IBIRPNJTUPBRBL-LAUBAEHRSA-N 2 1 424.992 3.988 20 0 HHADMP CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535699951 1007736095 /nfs/dbraw/zinc/73/60/95/1007736095.db2.gz KVSINEKRAILDBA-UZLBHIALSA-N 2 1 410.965 3.644 20 0 HHADMP CC(C)[NH+](CCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000535700539 1007737722 /nfs/dbraw/zinc/73/77/22/1007737722.db2.gz LUUHTQVREJEQKN-PXNSSMCTSA-N 2 1 412.981 3.890 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000535702604 1007740226 /nfs/dbraw/zinc/74/02/26/1007740226.db2.gz UUOFUUMVMPMTBP-QUJKESNLSA-N 2 1 424.992 3.986 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000535702604 1007740240 /nfs/dbraw/zinc/74/02/40/1007740240.db2.gz UUOFUUMVMPMTBP-QUJKESNLSA-N 2 1 424.992 3.986 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000535702604 1007740258 /nfs/dbraw/zinc/74/02/58/1007740258.db2.gz UUOFUUMVMPMTBP-QUJKESNLSA-N 2 1 424.992 3.986 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535706882 1007746136 /nfs/dbraw/zinc/74/61/36/1007746136.db2.gz BCHDNIRRTPDVBH-UHFFFAOYSA-N 2 1 409.578 3.669 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535706882 1007746150 /nfs/dbraw/zinc/74/61/50/1007746150.db2.gz BCHDNIRRTPDVBH-UHFFFAOYSA-N 2 1 409.578 3.669 20 0 HHADMP CN(C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000535709087 1007748936 /nfs/dbraw/zinc/74/89/36/1007748936.db2.gz ZALYXJQUWUWJEM-JOCHJYFZSA-N 2 1 412.553 3.693 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000517541724 1007758482 /nfs/dbraw/zinc/75/84/82/1007758482.db2.gz RVQXURNJAXGKGQ-HYBUGGRVSA-N 2 1 406.574 3.917 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000517566874 1007774163 /nfs/dbraw/zinc/77/41/63/1007774163.db2.gz USSMMQSYVPARDF-VAMGGRTRSA-N 2 1 411.594 3.805 20 0 HHADMP CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C12CCC2 ZINC000539496410 1007807742 /nfs/dbraw/zinc/80/77/42/1007807742.db2.gz MDZPWVGFJVYRAM-PKTZIBPZSA-N 2 1 402.579 3.614 20 0 HHADMP C[C@@H]([NH2+][C@H](c1ccccc1)C1CCC1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000533505665 1007818141 /nfs/dbraw/zinc/81/81/41/1007818141.db2.gz UPOGVGODNOCBLL-CJFMBICVSA-N 2 1 421.585 3.655 20 0 HHADMP C[C@H]([NH2+][C@@H](c1ccccc1)C1CCC1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000533505667 1007819131 /nfs/dbraw/zinc/81/91/31/1007819131.db2.gz UPOGVGODNOCBLL-CPJSRVTESA-N 2 1 421.585 3.655 20 0 HHADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000539576610 1007892269 /nfs/dbraw/zinc/89/22/69/1007892269.db2.gz PLFDCUCPLRVQCQ-PMACEKPBSA-N 2 1 411.512 3.874 20 0 HHADMP C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)C2)CC1 ZINC000535935038 1007963344 /nfs/dbraw/zinc/96/33/44/1007963344.db2.gz GPPXWEFGOPPFLW-ZVDOUQERSA-N 2 1 404.624 3.504 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000539651691 1007969447 /nfs/dbraw/zinc/96/94/47/1007969447.db2.gz RKSCIKTVOJFUOR-NLFFAJNJSA-N 2 1 408.590 3.608 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000535942446 1007975145 /nfs/dbraw/zinc/97/51/45/1007975145.db2.gz HYNGBNBQUMHIRC-HYBUGGRVSA-N 2 1 412.622 3.792 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)CC1 ZINC000517806141 1007982685 /nfs/dbraw/zinc/98/26/85/1007982685.db2.gz LSYTZIVLCAJPKX-UHFFFAOYSA-N 2 1 401.530 3.583 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000539810863 1008109072 /nfs/dbraw/zinc/10/90/72/1008109072.db2.gz GKURABPMEJEBAA-TYCQWZJGSA-N 2 1 408.537 3.518 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000539810863 1008109079 /nfs/dbraw/zinc/10/90/79/1008109079.db2.gz GKURABPMEJEBAA-TYCQWZJGSA-N 2 1 408.537 3.518 20 0 HHADMP CC(C)[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000539810863 1008109086 /nfs/dbraw/zinc/10/90/86/1008109086.db2.gz GKURABPMEJEBAA-TYCQWZJGSA-N 2 1 408.537 3.518 20 0 HHADMP CC(C)[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000539810863 1008109092 /nfs/dbraw/zinc/10/90/92/1008109092.db2.gz GKURABPMEJEBAA-TYCQWZJGSA-N 2 1 408.537 3.518 20 0 HHADMP CC[NH+](CC)CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000536100535 1008124689 /nfs/dbraw/zinc/12/46/89/1008124689.db2.gz VWNHIRNWKMZRRP-VWNXMTODSA-N 2 1 424.589 3.652 20 0 HHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000539896969 1008170532 /nfs/dbraw/zinc/17/05/32/1008170532.db2.gz SXLMJMSTKDGRIT-AJSBUHFISA-N 2 1 416.997 3.885 20 0 HHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000539896969 1008170536 /nfs/dbraw/zinc/17/05/36/1008170536.db2.gz SXLMJMSTKDGRIT-AJSBUHFISA-N 2 1 416.997 3.885 20 0 HHADMP C[C@H](c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1)[NH+]1CCOCC1 ZINC000518421425 1008298258 /nfs/dbraw/zinc/29/82/58/1008298258.db2.gz BBYXMDUWFPIYQB-HXUWFJFHSA-N 2 1 407.558 3.931 20 0 HHADMP COc1cc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1SC ZINC000540244630 1008350750 /nfs/dbraw/zinc/35/07/50/1008350750.db2.gz CQRVLWQATFCPAB-HDICACEKSA-N 2 1 408.608 3.507 20 0 HHADMP COc1cc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1SC ZINC000540244630 1008350754 /nfs/dbraw/zinc/35/07/54/1008350754.db2.gz CQRVLWQATFCPAB-HDICACEKSA-N 2 1 408.608 3.507 20 0 HHADMP CC[N@@H+](CCC1CCN(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CC1)CC(C)C ZINC000540260080 1008358282 /nfs/dbraw/zinc/35/82/82/1008358282.db2.gz VDDZMCQSCAVOIQ-UHFFFAOYSA-N 2 1 424.674 3.665 20 0 HHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3c[nH]nc3-c3cccnc3)cc2)C[C@H]1C ZINC000540328179 1008381640 /nfs/dbraw/zinc/38/16/40/1008381640.db2.gz MWGCPAVWHXPCNE-BGYRXZFFSA-N 2 1 419.573 3.771 20 0 HHADMP CCc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000518760635 1008415917 /nfs/dbraw/zinc/41/59/17/1008415917.db2.gz GXISVCZXUAGJNH-XMMPIXPASA-N 2 1 404.558 3.648 20 0 HHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1C ZINC000518760779 1008415967 /nfs/dbraw/zinc/41/59/67/1008415967.db2.gz YHUKDLZXVLKOOQ-XMMPIXPASA-N 2 1 404.558 3.702 20 0 HHADMP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000519012095 1008500798 /nfs/dbraw/zinc/50/07/98/1008500798.db2.gz OPOLGMPKKLPKDQ-UODIDJSMSA-N 3 1 412.666 3.540 20 0 HHADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000519012095 1008500800 /nfs/dbraw/zinc/50/08/00/1008500800.db2.gz OPOLGMPKKLPKDQ-UODIDJSMSA-N 3 1 412.666 3.540 20 0 HHADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000519012095 1008500802 /nfs/dbraw/zinc/50/08/02/1008500802.db2.gz OPOLGMPKKLPKDQ-UODIDJSMSA-N 3 1 412.666 3.540 20 0 HHADMP C[N@@H+](CC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@@H]1CCSC1 ZINC000549028382 1008597869 /nfs/dbraw/zinc/59/78/69/1008597869.db2.gz FJEXCQLDTRHHMY-JZLTWYBRSA-N 2 1 422.038 3.807 20 0 HHADMP C[NH+](CC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CCSC1 ZINC000549028382 1008597879 /nfs/dbraw/zinc/59/78/79/1008597879.db2.gz FJEXCQLDTRHHMY-JZLTWYBRSA-N 2 1 422.038 3.807 20 0 HHADMP C[NH+](CC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCSC1 ZINC000549028382 1008597885 /nfs/dbraw/zinc/59/78/85/1008597885.db2.gz FJEXCQLDTRHHMY-JZLTWYBRSA-N 2 1 422.038 3.807 20 0 HHADMP c1ccc(C[N@@H+]2CCO[C@H](c3nc(-c4ccccc4C[NH+]4CCCC4)no3)C2)cc1 ZINC000545530541 1008631431 /nfs/dbraw/zinc/63/14/31/1008631431.db2.gz VZAGAESIWGYSSY-QFIPXVFZSA-N 2 1 404.514 3.906 20 0 HHADMP c1ccc(C[N@H+]2CCO[C@H](c3nc(-c4ccccc4C[NH+]4CCCC4)no3)C2)cc1 ZINC000545530541 1008631438 /nfs/dbraw/zinc/63/14/38/1008631438.db2.gz VZAGAESIWGYSSY-QFIPXVFZSA-N 2 1 404.514 3.906 20 0 HHADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000519227123 1008633236 /nfs/dbraw/zinc/63/32/36/1008633236.db2.gz PRXUTRDOAPWPSL-IBGZPJMESA-N 2 1 404.352 3.606 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000519227123 1008633245 /nfs/dbraw/zinc/63/32/45/1008633245.db2.gz PRXUTRDOAPWPSL-IBGZPJMESA-N 2 1 404.352 3.606 20 0 HHADMP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000543078513 1008656281 /nfs/dbraw/zinc/65/62/81/1008656281.db2.gz WCOYORHWXATEJQ-SFYKDHMMSA-N 2 1 423.557 3.833 20 0 HHADMP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000543078513 1008656288 /nfs/dbraw/zinc/65/62/88/1008656288.db2.gz WCOYORHWXATEJQ-SFYKDHMMSA-N 2 1 423.557 3.833 20 0 HHADMP CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c2ccccc21 ZINC000549142748 1008711100 /nfs/dbraw/zinc/71/11/00/1008711100.db2.gz NZXSLGLNOQQYPL-LOSJGSFVSA-N 2 1 421.585 3.705 20 0 HHADMP CCOC(=O)c1ccc(NC(=O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000549164527 1008735799 /nfs/dbraw/zinc/73/57/99/1008735799.db2.gz HGGZURXRILWNEA-JOCHJYFZSA-N 2 1 423.557 3.692 20 0 HHADMP CCOC(=O)c1ccc(NC(=O)C[NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)cc1 ZINC000549164527 1008735810 /nfs/dbraw/zinc/73/58/10/1008735810.db2.gz HGGZURXRILWNEA-JOCHJYFZSA-N 2 1 423.557 3.692 20 0 HHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000549165699 1008738505 /nfs/dbraw/zinc/73/85/05/1008738505.db2.gz NDEZSROHKNLTCS-DENIHFKCSA-N 2 1 402.966 3.970 20 0 HHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000549165699 1008738514 /nfs/dbraw/zinc/73/85/14/1008738514.db2.gz NDEZSROHKNLTCS-DENIHFKCSA-N 2 1 402.966 3.970 20 0 HHADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](c3ccccc3)[C@H]2c2cccc(OC)c2)CC1 ZINC000543190590 1008763823 /nfs/dbraw/zinc/76/38/23/1008763823.db2.gz UYSSWIRDEBVDFZ-AOYPEHQESA-N 2 1 421.585 3.826 20 0 HHADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)[NH+]1CCc2sccc2C1 ZINC000519420139 1008801287 /nfs/dbraw/zinc/80/12/87/1008801287.db2.gz OJEWEZWNQZPTMR-XLIONFOSSA-N 2 1 415.578 3.662 20 0 HHADMP C[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[NH+]1CCc2sccc2C1 ZINC000519420139 1008801295 /nfs/dbraw/zinc/80/12/95/1008801295.db2.gz OJEWEZWNQZPTMR-XLIONFOSSA-N 2 1 415.578 3.662 20 0 HHADMP C[C@H](CNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1)[N@@H+]1CCc2sccc2C1 ZINC000519420139 1008801313 /nfs/dbraw/zinc/80/13/13/1008801313.db2.gz OJEWEZWNQZPTMR-XLIONFOSSA-N 2 1 415.578 3.662 20 0 HHADMP C[C@H](CNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1)[N@H+]1CCc2sccc2C1 ZINC000519420139 1008801325 /nfs/dbraw/zinc/80/13/25/1008801325.db2.gz OJEWEZWNQZPTMR-XLIONFOSSA-N 2 1 415.578 3.662 20 0 HHADMP C[NH+]1CCN(c2ccccc2-c2noc([C@H]3CCC[N@@H+]3Cc3ccccc3)n2)CC1 ZINC000545709934 1008804464 /nfs/dbraw/zinc/80/44/64/1008804464.db2.gz JCRWNSIWZLGPKZ-JOCHJYFZSA-N 2 1 403.530 3.826 20 0 HHADMP C[NH+]1CCN(c2ccccc2-c2noc([C@H]3CCC[N@H+]3Cc3ccccc3)n2)CC1 ZINC000545709934 1008804483 /nfs/dbraw/zinc/80/44/83/1008804483.db2.gz JCRWNSIWZLGPKZ-JOCHJYFZSA-N 2 1 403.530 3.826 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000543256517 1008825092 /nfs/dbraw/zinc/82/50/92/1008825092.db2.gz GZVFGLZANHZRDQ-ZVDOUQERSA-N 2 1 400.611 3.977 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000543256517 1008825109 /nfs/dbraw/zinc/82/51/09/1008825109.db2.gz GZVFGLZANHZRDQ-ZVDOUQERSA-N 2 1 400.611 3.977 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)CCC[NH+]2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000543399203 1008990706 /nfs/dbraw/zinc/99/07/06/1008990706.db2.gz INBPCXUFZDVFRL-LEWJYISDSA-N 2 1 408.537 3.616 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N(C)CCC[NH+]2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000543399203 1008990713 /nfs/dbraw/zinc/99/07/13/1008990713.db2.gz INBPCXUFZDVFRL-LEWJYISDSA-N 2 1 408.537 3.616 20 0 HHADMP Cc1cc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n(-c2ccc(F)cc2)n1 ZINC000543459965 1009045089 /nfs/dbraw/zinc/04/50/89/1009045089.db2.gz FGIMWJYILJTZHA-QZTJIDSGSA-N 2 1 413.541 3.501 20 0 HHADMP Cc1cc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n(-c2ccc(F)cc2)n1 ZINC000543459965 1009045100 /nfs/dbraw/zinc/04/51/00/1009045100.db2.gz FGIMWJYILJTZHA-QZTJIDSGSA-N 2 1 413.541 3.501 20 0 HHADMP C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1=O ZINC000549613828 1009241386 /nfs/dbraw/zinc/24/13/86/1009241386.db2.gz QFLCRRNOSGVXQT-VGSWGCGISA-N 2 1 410.537 3.900 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000520111930 1009267905 /nfs/dbraw/zinc/26/79/05/1009267905.db2.gz MMKWHELHIVQRSA-RZUBCFFCSA-N 2 1 403.586 3.912 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000520111930 1009267914 /nfs/dbraw/zinc/26/79/14/1009267914.db2.gz MMKWHELHIVQRSA-RZUBCFFCSA-N 2 1 403.586 3.912 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000520111930 1009267928 /nfs/dbraw/zinc/26/79/28/1009267928.db2.gz MMKWHELHIVQRSA-RZUBCFFCSA-N 2 1 403.586 3.912 20 0 HHADMP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc(OC)c1OC ZINC000543775955 1009344782 /nfs/dbraw/zinc/34/47/82/1009344782.db2.gz SJMTUURQWDAFJF-UTKZUKDTSA-N 2 1 414.546 3.520 20 0 HHADMP CC(C)[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(F)c(F)c1 ZINC000543777708 1009346313 /nfs/dbraw/zinc/34/63/13/1009346313.db2.gz XTABOFRDQBLTPG-JOCHJYFZSA-N 2 1 401.501 3.839 20 0 HHADMP O=C(c1ccccc1)N1CC[C@H](C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000549718877 1009347640 /nfs/dbraw/zinc/34/76/40/1009347640.db2.gz FRFPJISJVGHJOP-VJTSUQJLSA-N 2 1 403.570 3.603 20 0 HHADMP O=C(c1ccccc1)N1CC[C@H](C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000549718877 1009347650 /nfs/dbraw/zinc/34/76/50/1009347650.db2.gz FRFPJISJVGHJOP-VJTSUQJLSA-N 2 1 403.570 3.603 20 0 HHADMP O=C(c1ccccc1)N1CC[C@H](C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000549718877 1009347676 /nfs/dbraw/zinc/34/76/76/1009347676.db2.gz FRFPJISJVGHJOP-VJTSUQJLSA-N 2 1 403.570 3.603 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccccc3OC(F)(F)F)c2)C1 ZINC000520227035 1009352162 /nfs/dbraw/zinc/35/21/62/1009352162.db2.gz AGYLKHRHOZJSFC-IBGZPJMESA-N 2 1 421.463 3.572 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000543812829 1009375340 /nfs/dbraw/zinc/37/53/40/1009375340.db2.gz DELMSKZIMVDTEX-HXOBKFHXSA-N 2 1 422.504 3.571 20 0 HHADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CC2(C[NH+](C)[C@H]3C[C@@H](OCC)C34CCC4)COC2)C12CCC2 ZINC000543859939 1009425961 /nfs/dbraw/zinc/42/59/61/1009425961.db2.gz KURIAZDCAZAZHE-CIAFKFPVSA-N 2 1 420.638 3.562 20 0 HHADMP CCO[C@@H]1C[C@@H]([NH+](C)CC2(C[N@H+](C)[C@H]3C[C@@H](OCC)C34CCC4)COC2)C12CCC2 ZINC000543859939 1009425970 /nfs/dbraw/zinc/42/59/70/1009425970.db2.gz KURIAZDCAZAZHE-CIAFKFPVSA-N 2 1 420.638 3.562 20 0 HHADMP CCO[C@@H]1C[C@@H]([NH+](C)CC2(C[N@@H+](C)[C@H]3C[C@@H](OCC)C34CCC4)COC2)C12CCC2 ZINC000543859939 1009425978 /nfs/dbraw/zinc/42/59/78/1009425978.db2.gz KURIAZDCAZAZHE-CIAFKFPVSA-N 2 1 420.638 3.562 20 0 HHADMP c1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549868533 1009489432 /nfs/dbraw/zinc/48/94/32/1009489432.db2.gz YKBDNFREANNKNO-DEOSSOPVSA-N 2 1 416.569 3.891 20 0 HHADMP Cn1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c(C(C)(C)C)n1 ZINC000549877205 1009498529 /nfs/dbraw/zinc/49/85/29/1009498529.db2.gz HGNFNJICEQGNNL-JOCHJYFZSA-N 2 1 410.606 3.736 20 0 HHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]C3CCN(CC(F)F)CC3)cc2)C[C@H]1C ZINC000544004508 1009605163 /nfs/dbraw/zinc/60/51/63/1009605163.db2.gz SYKRHQVFSFBITM-KDURUIRLSA-N 2 1 409.565 3.515 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000544040031 1009641825 /nfs/dbraw/zinc/64/18/25/1009641825.db2.gz TXYXZIUXUQOLQY-MOPGFXCFSA-N 2 1 414.594 3.710 20 0 HHADMP COc1cc(Br)ccc1CCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000544072040 1009676449 /nfs/dbraw/zinc/67/64/49/1009676449.db2.gz PSBDUGNPZZDJKW-CMKODMSKSA-N 2 1 411.384 3.574 20 0 HHADMP Cc1ccc(CCC[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000544147011 1009755865 /nfs/dbraw/zinc/75/58/65/1009755865.db2.gz YGGODBGXIXHYSH-UHFFFAOYSA-N 2 1 407.602 3.888 20 0 HHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3nnc(-c4cccc(Cl)c4)o3)CC2)C[C@H](C)O1 ZINC000520747739 1009816726 /nfs/dbraw/zinc/81/67/26/1009816726.db2.gz VLVQAKPEOXWDCW-HOTGVXAUSA-N 2 1 404.942 3.711 20 0 HHADMP COC1CC[NH+](C(C)(C)CNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000544223970 1009833035 /nfs/dbraw/zinc/83/30/35/1009833035.db2.gz WVJKXJVLCWXHHP-UHFFFAOYSA-N 2 1 423.601 3.938 20 0 HHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)CC1 ZINC000520793351 1009862526 /nfs/dbraw/zinc/86/25/26/1009862526.db2.gz YLGWRBWJXQJRIH-LJQANCHMSA-N 2 1 414.594 3.584 20 0 HHADMP COCCn1cc2c(n1)[C@H]([NH2+][C@@H]1CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)CCC2 ZINC000546936187 1009894388 /nfs/dbraw/zinc/89/43/88/1009894388.db2.gz VRDHTHSZMZVNNW-GNLZIIPMSA-N 2 1 408.590 3.797 20 0 HHADMP COCCn1cc2c(n1)[C@H]([NH2+][C@@H]1CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CCC2 ZINC000546936187 1009894407 /nfs/dbraw/zinc/89/44/07/1009894407.db2.gz VRDHTHSZMZVNNW-GNLZIIPMSA-N 2 1 408.590 3.797 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccco1 ZINC000520855996 1009909578 /nfs/dbraw/zinc/90/95/78/1009909578.db2.gz DIEJZCOXHARPJD-WOIUINJBSA-N 2 1 413.562 3.702 20 0 HHADMP Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000550507555 1009987404 /nfs/dbraw/zinc/98/74/04/1009987404.db2.gz NVGYMCAWEBILMN-NXCFDTQHSA-N 2 1 417.597 3.907 20 0 HHADMP Cc1cc([C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2cccnc2)ccc1F ZINC000544386022 1010008575 /nfs/dbraw/zinc/00/85/75/1010008575.db2.gz LVUBEBRSKORUPY-UKILVPOCSA-N 2 1 405.517 3.975 20 0 HHADMP Cc1cc([C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c2cccnc2)ccc1F ZINC000544386022 1010008593 /nfs/dbraw/zinc/00/85/93/1010008593.db2.gz LVUBEBRSKORUPY-UKILVPOCSA-N 2 1 405.517 3.975 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000520983277 1010022874 /nfs/dbraw/zinc/02/28/74/1010022874.db2.gz GMQWMEILJAHEJM-SLFFLAALSA-N 2 1 411.594 3.805 20 0 HHADMP C[C@H]([NH2+]CC(=O)NCc1ccc(F)cc1C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544420566 1010038389 /nfs/dbraw/zinc/03/83/89/1010038389.db2.gz IOJLRMDEHQTBJL-HOCLYGCPSA-N 2 1 415.475 3.703 20 0 HHADMP C[C@H]([NH2+]CC(=O)NCc1ccc(F)cc1C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544420566 1010038401 /nfs/dbraw/zinc/03/84/01/1010038401.db2.gz IOJLRMDEHQTBJL-HOCLYGCPSA-N 2 1 415.475 3.703 20 0 HHADMP CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000544420413 1010039372 /nfs/dbraw/zinc/03/93/72/1010039372.db2.gz DOHREKQVKVQGQF-CMKODMSKSA-N 2 1 415.578 3.821 20 0 HHADMP CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000544420413 1010039387 /nfs/dbraw/zinc/03/93/87/1010039387.db2.gz DOHREKQVKVQGQF-CMKODMSKSA-N 2 1 415.578 3.821 20 0 HHADMP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000521070351 1010087269 /nfs/dbraw/zinc/08/72/69/1010087269.db2.gz QVNMWQYQHJIIBY-QHCPKHFHSA-N 2 1 412.553 3.564 20 0 HHADMP COc1cc(Cl)c(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1Cl ZINC000544594892 1010220384 /nfs/dbraw/zinc/22/03/84/1010220384.db2.gz OFJZCPDBUKUNEV-UHFFFAOYSA-N 2 1 400.394 3.852 20 0 HHADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)CC3 ZINC000547310615 1010249007 /nfs/dbraw/zinc/24/90/07/1010249007.db2.gz XZMBMDDNBPBAMB-HXOBKFHXSA-N 2 1 424.614 3.674 20 0 HHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)C[C@H]1c1ccccc1 ZINC000551009203 1010313941 /nfs/dbraw/zinc/31/39/41/1010313941.db2.gz RHRRVUQPSSDOEE-ZJOUEHCJSA-N 2 1 408.464 3.870 20 0 HHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)C[C@H]1c1ccccc1 ZINC000551009203 1010313956 /nfs/dbraw/zinc/31/39/56/1010313956.db2.gz RHRRVUQPSSDOEE-ZJOUEHCJSA-N 2 1 408.464 3.870 20 0 HHADMP C[C@H]([NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547827842 1010441043 /nfs/dbraw/zinc/44/10/43/1010441043.db2.gz IKFIANIAKSHWSE-DSKINZAPSA-N 2 1 422.491 3.945 20 0 HHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](C)c3c(C)cccc3C)CC2)cc1 ZINC000544898431 1010473999 /nfs/dbraw/zinc/47/39/99/1010473999.db2.gz NPXOIZMDLNSGER-OAQYLSRUSA-N 2 1 409.574 3.697 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](C)c3c(C)cccc3C)CC2)cc1 ZINC000544898431 1010474005 /nfs/dbraw/zinc/47/40/05/1010474005.db2.gz NPXOIZMDLNSGER-OAQYLSRUSA-N 2 1 409.574 3.697 20 0 HHADMP O=C1CC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c2ccccc2N1 ZINC000551264825 1010481301 /nfs/dbraw/zinc/48/13/01/1010481301.db2.gz OGUGNBLALAWFON-GMAHTHKFSA-N 2 1 419.569 3.978 20 0 HHADMP C[C@H]([NH2+]CCCNc1ccc(C(F)(F)F)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483852 1010642575 /nfs/dbraw/zinc/64/25/75/1010642575.db2.gz JCMXDJYKHRRANC-HKUYNNGSSA-N 2 1 406.496 4.403 20 0 HHADMP C[C@@H]([NH2+]CCCNc1ccc(C(F)(F)F)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483853 1010642866 /nfs/dbraw/zinc/64/28/66/1010642866.db2.gz JCMXDJYKHRRANC-IEBWSBKVSA-N 2 1 406.496 4.403 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548487170 1010643474 /nfs/dbraw/zinc/64/34/74/1010643474.db2.gz BBYHXRGQHIOTBL-PMWMKWCKSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC[C@@H]1CO)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548487170 1010643483 /nfs/dbraw/zinc/64/34/83/1010643483.db2.gz BBYHXRGQHIOTBL-PMWMKWCKSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC[C@@H]1CO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548487170 1010643488 /nfs/dbraw/zinc/64/34/88/1010643488.db2.gz BBYHXRGQHIOTBL-PMWMKWCKSA-N 3 1 407.602 3.644 20 0 HHADMP C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548487170 1010643494 /nfs/dbraw/zinc/64/34/94/1010643494.db2.gz BBYHXRGQHIOTBL-PMWMKWCKSA-N 2 1 407.602 3.644 20 0 HHADMP C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548487170 1010643499 /nfs/dbraw/zinc/64/34/99/1010643499.db2.gz BBYHXRGQHIOTBL-PMWMKWCKSA-N 2 1 407.602 3.644 20 0 HHADMP C[C@H](NCc1ccccc1C[NH+]1CCC[C@@H]1CO)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548487170 1010643507 /nfs/dbraw/zinc/64/35/07/1010643507.db2.gz BBYHXRGQHIOTBL-PMWMKWCKSA-N 2 1 407.602 3.644 20 0 HHADMP C[C@H](NCc1ccccc1C[NH+]1CCC[C@@H]1CO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548487170 1010643515 /nfs/dbraw/zinc/64/35/15/1010643515.db2.gz BBYHXRGQHIOTBL-PMWMKWCKSA-N 2 1 407.602 3.644 20 0 HHADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)CC3 ZINC000545189484 1010678066 /nfs/dbraw/zinc/67/80/66/1010678066.db2.gz ONHFRTNHAVPRQQ-OAQYLSRUSA-N 2 1 418.585 3.571 20 0 HHADMP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000545246244 1010701480 /nfs/dbraw/zinc/70/14/80/1010701480.db2.gz HEFHJGSYRAGKFI-ZWKOTPCHSA-N 2 1 411.571 3.625 20 0 HHADMP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000545246244 1010701488 /nfs/dbraw/zinc/70/14/88/1010701488.db2.gz HEFHJGSYRAGKFI-ZWKOTPCHSA-N 2 1 411.571 3.625 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000545247153 1010702220 /nfs/dbraw/zinc/70/22/20/1010702220.db2.gz JAHQRTACOOXFLU-SJORKVTESA-N 2 1 402.498 3.906 20 0 HHADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000522048222 1010777530 /nfs/dbraw/zinc/77/75/30/1010777530.db2.gz IHLILJFRMAMJKO-IWUGNULFSA-N 2 1 418.585 3.756 20 0 HHADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000522048222 1010777537 /nfs/dbraw/zinc/77/75/37/1010777537.db2.gz IHLILJFRMAMJKO-IWUGNULFSA-N 2 1 418.585 3.756 20 0 HHADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000522048222 1010777542 /nfs/dbraw/zinc/77/75/42/1010777542.db2.gz IHLILJFRMAMJKO-IWUGNULFSA-N 2 1 418.585 3.756 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000522088612 1010802248 /nfs/dbraw/zinc/80/22/48/1010802248.db2.gz RQAKVUOBNUXRDY-GHTZIAJQSA-N 2 1 400.592 3.562 20 0 HHADMP CCCC[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000522173823 1010847215 /nfs/dbraw/zinc/84/72/15/1010847215.db2.gz KHSCCBSWXDVEDS-FQEVSTJZSA-N 2 1 400.611 3.982 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000522270746 1010897210 /nfs/dbraw/zinc/89/72/10/1010897210.db2.gz DMHWXGUURQZLSI-UHFFFAOYSA-N 2 1 408.590 3.918 20 0 HHADMP CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000522270746 1010897216 /nfs/dbraw/zinc/89/72/16/1010897216.db2.gz DMHWXGUURQZLSI-UHFFFAOYSA-N 2 1 408.590 3.918 20 0 HHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000522270746 1010897220 /nfs/dbraw/zinc/89/72/20/1010897220.db2.gz DMHWXGUURQZLSI-UHFFFAOYSA-N 2 1 408.590 3.918 20 0 HHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000522308810 1010921191 /nfs/dbraw/zinc/92/11/91/1010921191.db2.gz HXSVTDDRLICYRV-IBGZPJMESA-N 2 1 414.619 3.577 20 0 HHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000522308810 1010921194 /nfs/dbraw/zinc/92/11/94/1010921194.db2.gz HXSVTDDRLICYRV-IBGZPJMESA-N 2 1 414.619 3.577 20 0 HHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H](c3ccccc3)[NH+]3CCSCC3)C2)CC1 ZINC000522703209 1011167339 /nfs/dbraw/zinc/16/73/39/1011167339.db2.gz VCPBQJKMYHDQNZ-GMAHTHKFSA-N 2 1 415.647 3.747 20 0 HHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000522782077 1011215742 /nfs/dbraw/zinc/21/57/42/1011215742.db2.gz DUCVFRZLDLTBBD-NRFANRHFSA-N 2 1 401.599 3.523 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000522823341 1011257264 /nfs/dbraw/zinc/25/72/64/1011257264.db2.gz NYNHWDQLFCZTFP-HXUWFJFHSA-N 2 1 400.611 3.840 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3CCC[NH+](Cc4cccnc4)C3)cc2)C1 ZINC000522829279 1011264952 /nfs/dbraw/zinc/26/49/52/1011264952.db2.gz HGJLRLRKLZNVCW-BWKNWUBXSA-N 2 1 420.601 3.842 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)cc2)C1 ZINC000522829279 1011264968 /nfs/dbraw/zinc/26/49/68/1011264968.db2.gz HGJLRLRKLZNVCW-BWKNWUBXSA-N 2 1 420.601 3.842 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)cc2)C1 ZINC000522829279 1011264983 /nfs/dbraw/zinc/26/49/83/1011264983.db2.gz HGJLRLRKLZNVCW-BWKNWUBXSA-N 2 1 420.601 3.842 20 0 HHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000540667000 1011321187 /nfs/dbraw/zinc/32/11/87/1011321187.db2.gz IDYJVAIZTIPDFT-IBGZPJMESA-N 2 1 408.468 3.723 20 0 HHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000540667000 1011321197 /nfs/dbraw/zinc/32/11/97/1011321197.db2.gz IDYJVAIZTIPDFT-IBGZPJMESA-N 2 1 408.468 3.723 20 0 HHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000536304303 1011495846 /nfs/dbraw/zinc/49/58/46/1011495846.db2.gz ZSHCRYGVCXAUDB-SFHVURJKSA-N 2 1 400.792 3.707 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)CC[C@H]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540862265 1011531319 /nfs/dbraw/zinc/53/13/19/1011531319.db2.gz NQQSTEDPSBFISV-CDHQVMDDSA-N 2 1 410.965 3.739 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)CC[C@H]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540862265 1011531333 /nfs/dbraw/zinc/53/13/33/1011531333.db2.gz NQQSTEDPSBFISV-CDHQVMDDSA-N 2 1 410.965 3.739 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N2CC[N@H+](C)CC[C@H]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540862265 1011531344 /nfs/dbraw/zinc/53/13/44/1011531344.db2.gz NQQSTEDPSBFISV-CDHQVMDDSA-N 2 1 410.965 3.739 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N2CC[N@@H+](C)CC[C@H]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540862265 1011531360 /nfs/dbraw/zinc/53/13/60/1011531360.db2.gz NQQSTEDPSBFISV-CDHQVMDDSA-N 2 1 410.965 3.739 20 0 HHADMP C[NH+](C)Cc1cccc(CNC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000523064861 1011534229 /nfs/dbraw/zinc/53/42/29/1011534229.db2.gz WMFXCQCXBWAEJB-JOCHJYFZSA-N 2 1 419.491 3.819 20 0 HHADMP CCCO[C@@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000536378676 1011586392 /nfs/dbraw/zinc/58/63/92/1011586392.db2.gz QDGUEFOSKINXET-DENIHFKCSA-N 2 1 422.013 3.874 20 0 HHADMP CCCO[C@@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000536378676 1011586406 /nfs/dbraw/zinc/58/64/06/1011586406.db2.gz QDGUEFOSKINXET-DENIHFKCSA-N 2 1 422.013 3.874 20 0 HHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000523130554 1011600078 /nfs/dbraw/zinc/60/00/78/1011600078.db2.gz GDPPRTVYPAHJMB-QHAWAJNXSA-N 2 1 400.611 3.694 20 0 HHADMP CC(C)[NH+]1CC[C@H](CNC(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000523130554 1011600091 /nfs/dbraw/zinc/60/00/91/1011600091.db2.gz GDPPRTVYPAHJMB-QHAWAJNXSA-N 2 1 400.611 3.694 20 0 HHADMP CC(C)[NH+]1CC[C@H](CNC(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000523130554 1011600101 /nfs/dbraw/zinc/60/01/01/1011600101.db2.gz GDPPRTVYPAHJMB-QHAWAJNXSA-N 2 1 400.611 3.694 20 0 HHADMP CCCN(C(=O)NC[C@H](C)C[NH+]1CCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000523134274 1011603744 /nfs/dbraw/zinc/60/37/44/1011603744.db2.gz WQUXBZLCXLTWNG-GMAHTHKFSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@H]1C[C@H]([NH2+]CCCCN2C(=O)c3ccccc3C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000540983974 1011617527 /nfs/dbraw/zinc/61/75/27/1011617527.db2.gz NXRIOQSDZYRJKX-PZJWPPBQSA-N 2 1 405.542 3.706 20 0 HHADMP C[C@H]1C[C@H]([NH2+]CCCCN2C(=O)c3ccccc3C2=O)CC[N@H+]1Cc1ccccc1 ZINC000540983974 1011617533 /nfs/dbraw/zinc/61/75/33/1011617533.db2.gz NXRIOQSDZYRJKX-PZJWPPBQSA-N 2 1 405.542 3.706 20 0 HHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000540991773 1011625109 /nfs/dbraw/zinc/62/51/09/1011625109.db2.gz KMKKEUCSBJFLKA-WIYYLYMNSA-N 2 1 406.448 3.929 20 0 HHADMP COc1cc(F)c([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1OC ZINC000540992395 1011625931 /nfs/dbraw/zinc/62/59/31/1011625931.db2.gz WLGMVPAKHBBYGG-LPHOPBHVSA-N 2 1 402.510 3.650 20 0 HHADMP COc1cc(F)c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1OC ZINC000540992395 1011625940 /nfs/dbraw/zinc/62/59/40/1011625940.db2.gz WLGMVPAKHBBYGG-LPHOPBHVSA-N 2 1 402.510 3.650 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)NCCC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536460771 1011680970 /nfs/dbraw/zinc/68/09/70/1011680970.db2.gz YIOCYMZMINURDP-XLIONFOSSA-N 2 1 410.965 3.503 20 0 HHADMP C[N@H+]1CC[C@@H](CNC(=O)NCCC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536460769 1011681220 /nfs/dbraw/zinc/68/12/20/1011681220.db2.gz YIOCYMZMINURDP-FXAWDEMLSA-N 2 1 410.965 3.503 20 0 HHADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000523340137 1011817663 /nfs/dbraw/zinc/81/76/63/1011817663.db2.gz HMQKRUOWPCXOSJ-XMMPIXPASA-N 2 1 408.590 3.664 20 0 HHADMP CCOc1ccccc1C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000536678573 1011841954 /nfs/dbraw/zinc/84/19/54/1011841954.db2.gz HLLFZSSZDQSLEO-UHFFFAOYSA-N 2 1 409.574 3.546 20 0 HHADMP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c1 ZINC000541213445 1011884921 /nfs/dbraw/zinc/88/49/21/1011884921.db2.gz VBWVUPOWCXTLNH-HNNXBMFYSA-N 2 1 424.476 3.613 20 0 HHADMP Cc1ccc(NC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000523445355 1011939837 /nfs/dbraw/zinc/93/98/37/1011939837.db2.gz GXWPMZSHZPIYDH-FPOVZHCZSA-N 2 1 410.562 3.892 20 0 HHADMP C[C@H]1C[C@H](N(C)C(=O)NCC[NH+](C)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000523472956 1011982408 /nfs/dbraw/zinc/98/24/08/1011982408.db2.gz HWCHDBTWTKYHHI-XUZZJYLKSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@H]1C[C@H](N(C)C(=O)NCC[N@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000523472956 1011982424 /nfs/dbraw/zinc/98/24/24/1011982424.db2.gz HWCHDBTWTKYHHI-XUZZJYLKSA-N 2 1 408.590 3.813 20 0 HHADMP C[C@H]1C[C@H](N(C)C(=O)NCC[N@@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000523472956 1011982440 /nfs/dbraw/zinc/98/24/40/1011982440.db2.gz HWCHDBTWTKYHHI-XUZZJYLKSA-N 2 1 408.590 3.813 20 0 HHADMP CC[N@H+](CCNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)C1CC1 ZINC000541321843 1012032078 /nfs/dbraw/zinc/03/20/78/1012032078.db2.gz DDWLIEASGWXCIG-UHFFFAOYSA-N 2 1 413.393 3.741 20 0 HHADMP CC[N@@H+](CCNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)C1CC1 ZINC000541321843 1012032087 /nfs/dbraw/zinc/03/20/87/1012032087.db2.gz DDWLIEASGWXCIG-UHFFFAOYSA-N 2 1 413.393 3.741 20 0 HHADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000536828897 1012059215 /nfs/dbraw/zinc/05/92/15/1012059215.db2.gz SOAZDKYLLOCDQP-SVFBPWRDSA-N 2 1 415.603 3.546 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)C1 ZINC000536839934 1012069419 /nfs/dbraw/zinc/06/94/19/1012069419.db2.gz QUOQWBFKILQIPU-NJDAHSKKSA-N 2 1 411.590 3.942 20 0 HHADMP COc1ccccc1N1CC[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000552061758 1012079848 /nfs/dbraw/zinc/07/98/48/1012079848.db2.gz YUBSHRQSMUWIPI-LZBANZJXSA-N 2 1 407.558 3.833 20 0 HHADMP COc1ccc(Oc2ccc(C[NH2+]CCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)cc2)cc1 ZINC000541377081 1012093471 /nfs/dbraw/zinc/09/34/71/1012093471.db2.gz MLMOXPYPLJZKOO-QHCPKHFHSA-N 2 1 411.546 3.520 20 0 HHADMP COc1ccc(Oc2ccc(C[NH2+]CCC[N@H+]3CCC[C@H]3C(=O)N(C)C)cc2)cc1 ZINC000541377081 1012093488 /nfs/dbraw/zinc/09/34/88/1012093488.db2.gz MLMOXPYPLJZKOO-QHCPKHFHSA-N 2 1 411.546 3.520 20 0 HHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000541434345 1012188885 /nfs/dbraw/zinc/18/88/85/1012188885.db2.gz SDQZJDMGMBHLIY-HSZRJFAPSA-N 2 1 421.585 3.549 20 0 HHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3c(Cl)ccc4cccnc43)CC2)C[C@H](C)O1 ZINC000536933485 1012223217 /nfs/dbraw/zinc/22/32/17/1012223217.db2.gz AGHABGFTZNZXKF-HDICACEKSA-N 2 1 417.981 3.978 20 0 HHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3c(Cl)ccc4cccnc43)CC2)C[C@H](C)O1 ZINC000536933485 1012223241 /nfs/dbraw/zinc/22/32/41/1012223241.db2.gz AGHABGFTZNZXKF-HDICACEKSA-N 2 1 417.981 3.978 20 0 HHADMP COC(=O)c1csc([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000552223258 1012235320 /nfs/dbraw/zinc/23/53/20/1012235320.db2.gz KEWYEEABOKXBDF-PXNSSMCTSA-N 2 1 401.576 3.564 20 0 HHADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000536948223 1012248933 /nfs/dbraw/zinc/24/89/33/1012248933.db2.gz KZJJRZACQXSHME-SFHVURJKSA-N 2 1 415.965 3.722 20 0 HHADMP CC(C)[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000536951506 1012250347 /nfs/dbraw/zinc/25/03/47/1012250347.db2.gz QWBZJTVASQFUCX-NQIIRXRSSA-N 2 1 414.575 3.870 20 0 HHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000552244555 1012256113 /nfs/dbraw/zinc/25/61/13/1012256113.db2.gz FJFZIRSNJFCWKW-UHFFFAOYSA-N 3 1 412.666 3.970 20 0 HHADMP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)o1 ZINC000552278114 1012291330 /nfs/dbraw/zinc/29/13/30/1012291330.db2.gz TURMUWLKRLXYCI-XXBNENTESA-N 2 1 409.574 3.863 20 0 HHADMP C[C@H](CCNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)[NH+]1CCCCC1 ZINC000541522686 1012304501 /nfs/dbraw/zinc/30/45/01/1012304501.db2.gz XJXATAOCXPQTDA-RDGATRHJSA-N 2 1 412.622 3.949 20 0 HHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](c3cccs3)C3CC3)CC2)cc1 ZINC000541580035 1012371003 /nfs/dbraw/zinc/37/10/03/1012371003.db2.gz OLCXNMOQQCJPHN-HSZRJFAPSA-N 2 1 413.587 3.532 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](c3cccs3)C3CC3)CC2)cc1 ZINC000541580035 1012371022 /nfs/dbraw/zinc/37/10/22/1012371022.db2.gz OLCXNMOQQCJPHN-HSZRJFAPSA-N 2 1 413.587 3.532 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(O[C@H](C)c2ccccc2)nc1 ZINC000523749452 1012372517 /nfs/dbraw/zinc/37/25/17/1012372517.db2.gz QEKUWCOMQUFSED-OFNKIYASSA-N 2 1 424.589 3.710 20 0 HHADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000552365596 1012375785 /nfs/dbraw/zinc/37/57/85/1012375785.db2.gz JXMKCBCKCLRFQL-ILWGZMRPSA-N 2 1 417.544 3.619 20 0 HHADMP O=C([C@@H]1C[NH+](Cc2ccccc2)CCC1(F)F)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000552365596 1012375800 /nfs/dbraw/zinc/37/58/00/1012375800.db2.gz JXMKCBCKCLRFQL-ILWGZMRPSA-N 2 1 417.544 3.619 20 0 HHADMP O=C([C@@H]1C[NH+](Cc2ccccc2)CCC1(F)F)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000552365596 1012375817 /nfs/dbraw/zinc/37/58/17/1012375817.db2.gz JXMKCBCKCLRFQL-ILWGZMRPSA-N 2 1 417.544 3.619 20 0 HHADMP C[C@H](NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(Br)cc1 ZINC000541600071 1012396388 /nfs/dbraw/zinc/39/63/88/1012396388.db2.gz XGFZXSSLXXZBGC-XYJFISCASA-N 2 1 422.411 3.869 20 0 HHADMP C[C@H](NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(Br)cc1 ZINC000541600071 1012396401 /nfs/dbraw/zinc/39/64/01/1012396401.db2.gz XGFZXSSLXXZBGC-XYJFISCASA-N 2 1 422.411 3.869 20 0 HHADMP C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541600809 1012397684 /nfs/dbraw/zinc/39/76/84/1012397684.db2.gz YAHODXKPGOOFJN-KBPBESRZSA-N 2 1 412.347 3.769 20 0 HHADMP C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541600809 1012397702 /nfs/dbraw/zinc/39/77/02/1012397702.db2.gz YAHODXKPGOOFJN-KBPBESRZSA-N 2 1 412.347 3.769 20 0 HHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541600810 1012397864 /nfs/dbraw/zinc/39/78/64/1012397864.db2.gz YAHODXKPGOOFJN-KGLIPLIRSA-N 2 1 412.347 3.769 20 0 HHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541600810 1012397878 /nfs/dbraw/zinc/39/78/78/1012397878.db2.gz YAHODXKPGOOFJN-KGLIPLIRSA-N 2 1 412.347 3.769 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000552437819 1012456895 /nfs/dbraw/zinc/45/68/95/1012456895.db2.gz WEJOBTDAWSVVEA-OAQYLSRUSA-N 2 1 408.546 3.541 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000537132984 1012518779 /nfs/dbraw/zinc/51/87/79/1012518779.db2.gz YKTKSNYLVJRUHI-SLSDLSHTSA-N 2 1 421.585 3.649 20 0 HHADMP CN(c1ccccc1C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1)C1CC[NH+](C)CC1 ZINC000552522745 1012541299 /nfs/dbraw/zinc/54/12/99/1012541299.db2.gz CTKYBQMLXTVIFI-HXUWFJFHSA-N 2 1 408.594 3.592 20 0 HHADMP CN(c1ccccc1C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1)C1CC[NH+](C)CC1 ZINC000552522745 1012541315 /nfs/dbraw/zinc/54/13/15/1012541315.db2.gz CTKYBQMLXTVIFI-HXUWFJFHSA-N 2 1 408.594 3.592 20 0 HHADMP CN(c1ccccc1C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1)C1CC[NH+](C)CC1 ZINC000552522745 1012541320 /nfs/dbraw/zinc/54/13/20/1012541320.db2.gz CTKYBQMLXTVIFI-HXUWFJFHSA-N 2 1 408.594 3.592 20 0 HHADMP CC[C@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cc(F)ccc1F ZINC000537156214 1012551274 /nfs/dbraw/zinc/55/12/74/1012551274.db2.gz AGKZORUBTQWEGU-QFIPXVFZSA-N 2 1 401.501 3.918 20 0 HHADMP COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1OC ZINC000537167343 1012569963 /nfs/dbraw/zinc/56/99/63/1012569963.db2.gz FAGUMOTXTVFIJY-HZPDHXFCSA-N 2 1 408.502 3.876 20 0 HHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000523876593 1012573694 /nfs/dbraw/zinc/57/36/94/1012573694.db2.gz MISWDNNKHPEPRD-ZGXWSNOMSA-N 2 1 406.640 3.626 20 0 HHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000523876593 1012573700 /nfs/dbraw/zinc/57/37/00/1012573700.db2.gz MISWDNNKHPEPRD-ZGXWSNOMSA-N 2 1 406.640 3.626 20 0 HHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000523876593 1012573704 /nfs/dbraw/zinc/57/37/04/1012573704.db2.gz MISWDNNKHPEPRD-ZGXWSNOMSA-N 2 1 406.640 3.626 20 0 HHADMP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000541743326 1012599918 /nfs/dbraw/zinc/59/99/18/1012599918.db2.gz HPOQQGSJPZJKHR-YXPKMTABSA-N 2 1 422.635 3.559 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000541911308 1012770012 /nfs/dbraw/zinc/77/00/12/1012770012.db2.gz FRJSCRLVHDDLNI-GUSDDNLUSA-N 2 1 413.512 3.879 20 0 HHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000541911308 1012770019 /nfs/dbraw/zinc/77/00/19/1012770019.db2.gz FRJSCRLVHDDLNI-GUSDDNLUSA-N 2 1 413.512 3.879 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OCCN3CCOCC3)c(Cl)c2)C1 ZINC000537326315 1012783926 /nfs/dbraw/zinc/78/39/26/1012783926.db2.gz UVIDCDQORLUMMT-OAQYLSRUSA-N 2 1 424.029 3.509 20 0 HHADMP C[N@@H+]1CC[C@@]2(CCN(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCc4sccc4C3)C2)C1 ZINC000487838153 1072099251 /nfs/dbraw/zinc/09/92/51/1072099251.db2.gz LJBISNYQCOSDBT-XUZZJYLKSA-N 2 1 424.614 3.585 20 0 HHADMP C[N@H+]1CC[C@@]2(CCN(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCc4sccc4C3)C2)C1 ZINC000487838153 1072099264 /nfs/dbraw/zinc/09/92/64/1072099264.db2.gz LJBISNYQCOSDBT-XUZZJYLKSA-N 2 1 424.614 3.585 20 0 HHADMP C[NH+]1CC[C@@]2(CCN(C(=O)NC[C@@H](c3ccccc3)[N@@H+]3CCc4sccc4C3)C2)C1 ZINC000487838153 1072099276 /nfs/dbraw/zinc/09/92/76/1072099276.db2.gz LJBISNYQCOSDBT-XUZZJYLKSA-N 2 1 424.614 3.585 20 0 HHADMP C[NH+]1CC[C@@]2(CCN(C(=O)NC[C@@H](c3ccccc3)[N@H+]3CCc4sccc4C3)C2)C1 ZINC000487838153 1072099286 /nfs/dbraw/zinc/09/92/86/1072099286.db2.gz LJBISNYQCOSDBT-XUZZJYLKSA-N 2 1 424.614 3.585 20 0 HHADMP COc1ccc2c(c1)C[C@H]([NH+]1CCC3(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO3)C2 ZINC001168274373 1072149341 /nfs/dbraw/zinc/14/93/41/1072149341.db2.gz SIOBPTNAKVJYLS-XMMPIXPASA-N 2 1 406.570 3.838 20 0 HHADMP CC[N@@H+](CCC1CC[NH+](C[C@H](O)Cn2cnc3cc(C)c(C)cc32)CC1)CC1CC1 ZINC000536738832 1072194608 /nfs/dbraw/zinc/19/46/08/1072194608.db2.gz UHJLUXMPYHSXDS-QHCPKHFHSA-N 2 1 412.622 3.848 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCCOc1ccc(Br)cc1 ZINC001168285026 1072424381 /nfs/dbraw/zinc/42/43/81/1072424381.db2.gz QIQGEMHIBVZHOK-MISYRCLQSA-N 2 1 411.384 3.792 20 0 HHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000586855770 1072477235 /nfs/dbraw/zinc/47/72/35/1072477235.db2.gz IKLGYNXASNRKQX-IFMALSPDSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000586855770 1072477236 /nfs/dbraw/zinc/47/72/36/1072477236.db2.gz IKLGYNXASNRKQX-IFMALSPDSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000586855770 1072477237 /nfs/dbraw/zinc/47/72/37/1072477237.db2.gz IKLGYNXASNRKQX-IFMALSPDSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000586857880 1072480057 /nfs/dbraw/zinc/48/00/57/1072480057.db2.gz LXTBJWFUCQBUFF-KGSLCBSSSA-N 2 1 400.611 3.564 20 0 HHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000586857880 1072480060 /nfs/dbraw/zinc/48/00/60/1072480060.db2.gz LXTBJWFUCQBUFF-KGSLCBSSSA-N 2 1 400.611 3.564 20 0 HHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000586857880 1072480063 /nfs/dbraw/zinc/48/00/63/1072480063.db2.gz LXTBJWFUCQBUFF-KGSLCBSSSA-N 2 1 400.611 3.564 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000586869372 1072492479 /nfs/dbraw/zinc/49/24/79/1072492479.db2.gz WREIZRVQQKSGQR-FCHUYYIVSA-N 2 1 412.578 3.874 20 0 HHADMP Cc1cccc(COC[C@@]23CCCO[C@@H]2CC[N@H+](C2CCC([NH+](C)C)CC2)C3)n1 ZINC001168323447 1072504435 /nfs/dbraw/zinc/50/44/35/1072504435.db2.gz ZMZZMGOOKIZCNK-ZQHBMWIYSA-N 2 1 401.595 3.651 20 0 HHADMP Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000586941424 1072504436 /nfs/dbraw/zinc/50/44/36/1072504436.db2.gz GHVOQJVYPBCSFE-PKTZIBPZSA-N 2 1 424.589 3.936 20 0 HHADMP C[NH+](C)C1CCC([N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(c3ccccc3)C2)CC1 ZINC001168326545 1072506982 /nfs/dbraw/zinc/50/69/82/1072506982.db2.gz ATYVGGAPWLZKFQ-AENCRQEPSA-N 2 1 413.606 3.980 20 0 HHADMP C[NH+](C)C1CCC([N@@H+](Cc2ccncc2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001168329906 1072509777 /nfs/dbraw/zinc/50/97/77/1072509777.db2.gz KLJAODCHDVVXRC-XVAXZDLZSA-N 2 1 402.583 3.766 20 0 HHADMP CC(=O)c1ccc(Br)c(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c1 ZINC001212144926 1072525386 /nfs/dbraw/zinc/52/53/86/1072525386.db2.gz HLPVHICWIWVFLK-INIZCTEOSA-N 2 1 409.328 3.870 20 0 HHADMP COc1cccc([C@@H]2CC(=O)N(C[NH+]3CCC(C[N@@H+](C)Cc4ccccc4)CC3)C2)c1 ZINC000760531249 1072557010 /nfs/dbraw/zinc/55/70/10/1072557010.db2.gz SAGGQCZPKCFWAO-XMMPIXPASA-N 2 1 421.585 3.813 20 0 HHADMP COc1cccc(-c2nn(C)c3c2[C@H]2C[N@H+](C4CC[NH+](CC5CC5)CC4)C[C@H]2C3)c1 ZINC001168378711 1072645894 /nfs/dbraw/zinc/64/58/94/1072645894.db2.gz QZJLORZDRICWTQ-KNQAVFIVSA-N 2 1 406.574 3.542 20 0 HHADMP Fc1cccnc1N1CC[C@@]2(C1)C[N@@H+](C1CC[NH+](CC3CC3)CC1)CCC2(F)F ZINC001168379258 1072656882 /nfs/dbraw/zinc/65/68/82/1072656882.db2.gz GCQTXPJNYDKSTE-NRFANRHFSA-N 2 1 408.512 3.633 20 0 HHADMP Fc1cccnc1N1CC[C@@]2(C1)C[N@H+](C1CC[NH+](CC3CC3)CC1)CCC2(F)F ZINC001168379258 1072656887 /nfs/dbraw/zinc/65/68/87/1072656887.db2.gz GCQTXPJNYDKSTE-NRFANRHFSA-N 2 1 408.512 3.633 20 0 HHADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000554875826 1072919847 /nfs/dbraw/zinc/91/98/47/1072919847.db2.gz SKTNERYODJIRNI-UHFFFAOYSA-N 2 1 417.491 3.905 20 0 HHADMP CC[C@H](C(=O)N1CCC[C@H]([NH+](C)Cc2ccccn2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000555088869 1073149016 /nfs/dbraw/zinc/14/90/16/1073149016.db2.gz AIEQIVWEQPMUDW-BJKOFHAPSA-N 2 1 408.590 3.805 20 0 HHADMP CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1)[NH+](C)Cc1ccccc1 ZINC000555088869 1073149022 /nfs/dbraw/zinc/14/90/22/1073149022.db2.gz AIEQIVWEQPMUDW-BJKOFHAPSA-N 2 1 408.590 3.805 20 0 HHADMP CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1)[NH+](C)Cc1ccccc1 ZINC000555088869 1073149024 /nfs/dbraw/zinc/14/90/24/1073149024.db2.gz AIEQIVWEQPMUDW-BJKOFHAPSA-N 2 1 408.590 3.805 20 0 HHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cc(Cl)c4c(c3)OCCCO4)CC2)C[C@@H](C)O1 ZINC000588708625 1073154587 /nfs/dbraw/zinc/15/45/87/1073154587.db2.gz AOENXWOXKSBPJP-IAGOWNOFSA-N 2 1 408.970 3.823 20 0 HHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc21 ZINC000555169107 1073213895 /nfs/dbraw/zinc/21/38/95/1073213895.db2.gz AXLBWGLNZURNHQ-RPWUZVMVSA-N 2 1 408.542 3.790 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)N3CCC(C[NH+]4CCCCCC4)CC3)CC2)cs1 ZINC000588763470 1073218381 /nfs/dbraw/zinc/21/83/81/1073218381.db2.gz IAQIPVASNUQESF-UHFFFAOYSA-N 2 1 418.651 3.778 20 0 HHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000555210585 1073264609 /nfs/dbraw/zinc/26/46/09/1073264609.db2.gz CUGVOELKFKYWNB-FCHUYYIVSA-N 2 1 423.605 3.920 20 0 HHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000555210585 1073264612 /nfs/dbraw/zinc/26/46/12/1073264612.db2.gz CUGVOELKFKYWNB-FCHUYYIVSA-N 2 1 423.605 3.920 20 0 HHADMP C[C@H](c1ccc(F)cc1)N1CC[C@@H](N2CCC[C@@H](c3ncc4n3CCCC4)C2)C1=O ZINC000555501248 1073564904 /nfs/dbraw/zinc/56/49/04/1073564904.db2.gz JDGIXDAHEXLJNM-SFGWALBWSA-N 2 1 410.537 3.900 20 0 HHADMP C[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(-n2cccn2)c(F)c1 ZINC000555620831 1073686533 /nfs/dbraw/zinc/68/65/33/1073686533.db2.gz PRTLBNBVKTWPPS-SIKLNZKXSA-N 2 1 408.521 3.953 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000567771365 1073883901 /nfs/dbraw/zinc/88/39/01/1073883901.db2.gz APNSKPFDNCAJHD-FYYLOGMGSA-N 2 1 415.647 3.575 20 0 HHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+]C2(c3ccc(F)cc3)CCC2)CC1 ZINC000591376268 1074273464 /nfs/dbraw/zinc/27/34/64/1074273464.db2.gz TVGCICDBNCTBAD-UHFFFAOYSA-N 2 1 409.549 3.837 20 0 HHADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000760834217 1074324286 /nfs/dbraw/zinc/32/42/86/1074324286.db2.gz NTQRVOMBAGPMRG-NRFANRHFSA-N 2 1 402.583 3.636 20 0 HHADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000760834217 1074324293 /nfs/dbraw/zinc/32/42/93/1074324293.db2.gz NTQRVOMBAGPMRG-NRFANRHFSA-N 2 1 402.583 3.636 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000591545360 1074381362 /nfs/dbraw/zinc/38/13/62/1074381362.db2.gz FZPNTZQLOZMDOS-NQIIRXRSSA-N 2 1 407.002 3.897 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000591548799 1074383871 /nfs/dbraw/zinc/38/38/71/1074383871.db2.gz RCNMCVLGUCKTJE-IBGZPJMESA-N 2 1 407.002 3.724 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)C1 ZINC000591554618 1074404057 /nfs/dbraw/zinc/40/40/57/1074404057.db2.gz AYRFBQCSULRWQS-NHCUHLMSSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000591554618 1074404060 /nfs/dbraw/zinc/40/40/60/1074404060.db2.gz AYRFBQCSULRWQS-NHCUHLMSSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000591554618 1074404064 /nfs/dbraw/zinc/40/40/64/1074404064.db2.gz AYRFBQCSULRWQS-NHCUHLMSSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000591590461 1074452682 /nfs/dbraw/zinc/45/26/82/1074452682.db2.gz IOAQJXZFLJPZGA-HSZRJFAPSA-N 2 1 400.611 3.838 20 0 HHADMP C[N@@H+]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[C@H]1Cc1ccccc1 ZINC000574181350 1075171270 /nfs/dbraw/zinc/17/12/70/1075171270.db2.gz DPGVTKMKRXOLCK-XMMPIXPASA-N 2 1 405.586 3.674 20 0 HHADMP C[N@H+]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[C@H]1Cc1ccccc1 ZINC000574181350 1075171274 /nfs/dbraw/zinc/17/12/74/1075171274.db2.gz DPGVTKMKRXOLCK-XMMPIXPASA-N 2 1 405.586 3.674 20 0 HHADMP O=C(N1CCC[C@H]([NH+]2CCCC2)C1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000593829941 1075229305 /nfs/dbraw/zinc/22/93/05/1075229305.db2.gz GDVRIJRWALGJFO-PZJWPPBQSA-N 2 1 409.496 3.528 20 0 HHADMP CC(C)Oc1ccc([C@H](CNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)[NH+](C)C)cc1 ZINC000575208287 1075485759 /nfs/dbraw/zinc/48/57/59/1075485759.db2.gz CYKGSOYNRPGLOH-QHCPKHFHSA-N 2 1 418.626 3.838 20 0 HHADMP CC[NH+]1CCN(c2ccc(C(=O)N(c3ccccc3)C3CC[NH+](C)CC3)cc2F)CC1 ZINC000601962079 1075677542 /nfs/dbraw/zinc/67/75/42/1075677542.db2.gz KIHDZUVAWROKPP-UHFFFAOYSA-N 2 1 424.564 3.709 20 0 HHADMP [NH3+]C1CC2(C1)CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)CC2 ZINC001164388081 718802271 /nfs/dbraw/zinc/80/22/71/718802271.db2.gz RUSQAEWALBXAMO-UHFFFAOYSA-N 2 1 411.619 3.874 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cc(Cl)nc(Cl)c2)c2c1CC[NH2+]C2 ZINC001164681799 719604906 /nfs/dbraw/zinc/60/49/06/719604906.db2.gz ANWLYAMHMGPMTP-UHFFFAOYSA-N 2 1 404.292 3.668 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cc(Cl)nc(Cl)c2)c2c1CC[NH2+]C2 ZINC001164681799 719604917 /nfs/dbraw/zinc/60/49/17/719604917.db2.gz ANWLYAMHMGPMTP-UHFFFAOYSA-N 2 1 404.292 3.668 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2ccc3ncnc(Cl)c3c2)c2c1CC[NH2+]C2 ZINC001164682331 719616240 /nfs/dbraw/zinc/61/62/40/719616240.db2.gz CJRITBQVDCKWQO-UHFFFAOYSA-N 2 1 420.895 3.563 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2ccc3ncnc(Cl)c3c2)c2c1CC[NH2+]C2 ZINC001164682331 719616246 /nfs/dbraw/zinc/61/62/46/719616246.db2.gz CJRITBQVDCKWQO-UHFFFAOYSA-N 2 1 420.895 3.563 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)cc3c(Cl)ccnc32)c2c1CC[NH2+]C2 ZINC001164682011 719619136 /nfs/dbraw/zinc/61/91/36/719619136.db2.gz KZCQAJKUMJRWFH-UHFFFAOYSA-N 2 1 405.333 3.608 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)cc3c(Cl)ccnc32)c2c1CC[NH2+]C2 ZINC001164682011 719619139 /nfs/dbraw/zinc/61/91/39/719619139.db2.gz KZCQAJKUMJRWFH-UHFFFAOYSA-N 2 1 405.333 3.608 20 0 HHADMP COc1ccc2c(cc[nH+]c2N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164836589 720521594 /nfs/dbraw/zinc/52/15/94/720521594.db2.gz NGKSYTHSUFITAQ-ZRCGQRJVSA-N 2 1 405.546 3.818 20 0 HHADMP COc1ccc2c(cc[nH+]c2N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164836589 720521605 /nfs/dbraw/zinc/52/16/05/720521605.db2.gz NGKSYTHSUFITAQ-ZRCGQRJVSA-N 2 1 405.546 3.818 20 0 HHADMP c1cc2c[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)cc2[nH]1 ZINC001164754828 720875705 /nfs/dbraw/zinc/87/57/05/720875705.db2.gz SXXXKURLUYNYSP-WIOPSUGQSA-N 2 1 417.557 3.713 20 0 HHADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3[nH+]c(C)cc4[nH]ccc43)C2)C1 ZINC001164777179 721353484 /nfs/dbraw/zinc/35/34/84/721353484.db2.gz DXTLUVSVZPQHFW-QHCPKHFHSA-N 2 1 409.534 3.595 20 0 HHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164795471 721500243 /nfs/dbraw/zinc/50/02/43/721500243.db2.gz ICPZEKAJQTVIFX-UHFFFAOYSA-N 2 1 405.590 3.953 20 0 HHADMP Cc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001165019582 721802488 /nfs/dbraw/zinc/80/24/88/721802488.db2.gz DCZLQIYYLYKKQC-NNWRFLSQSA-N 2 1 406.578 3.517 20 0 HHADMP Cc1nc(N2CCCC2)cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]1 ZINC001165019582 721802490 /nfs/dbraw/zinc/80/24/90/721802490.db2.gz DCZLQIYYLYKKQC-NNWRFLSQSA-N 2 1 406.578 3.517 20 0 HHADMP Cc1nc(N2CCCC2)cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]1 ZINC001165019582 721802491 /nfs/dbraw/zinc/80/24/91/721802491.db2.gz DCZLQIYYLYKKQC-NNWRFLSQSA-N 2 1 406.578 3.517 20 0 HHADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncccc4C[NH+]4CCCC4)CC3)C2)cc1 ZINC001164941842 721933220 /nfs/dbraw/zinc/93/32/20/721933220.db2.gz JYHGPPFZKOVATK-UHFFFAOYSA-N 2 1 420.601 3.857 20 0 HHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@@H]23)nc1 ZINC001164961931 722051388 /nfs/dbraw/zinc/05/13/88/722051388.db2.gz ZDRHVYSMROUJSD-IYXIZZNPSA-N 2 1 421.589 3.929 20 0 HHADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000303011470 971453205 /nfs/dbraw/zinc/45/32/05/971453205.db2.gz OUWUOBACPOXMOY-MZKRTTBSSA-N 2 1 400.611 3.696 20 0 HHADMP CCC[NH+]1CC[C@@H](CNC(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000303011470 971453214 /nfs/dbraw/zinc/45/32/14/971453214.db2.gz OUWUOBACPOXMOY-MZKRTTBSSA-N 2 1 400.611 3.696 20 0 HHADMP CCC[NH+]1CC[C@@H](CNC(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000303011470 971453218 /nfs/dbraw/zinc/45/32/18/971453218.db2.gz OUWUOBACPOXMOY-MZKRTTBSSA-N 2 1 400.611 3.696 20 0 HHADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)CC1 ZINC000542161569 1013097351 /nfs/dbraw/zinc/09/73/51/1013097351.db2.gz TZPLSJSYNZNEQK-GOSISDBHSA-N 2 1 410.002 3.556 20 0 HHADMP C[C@H](C(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000303443726 971734659 /nfs/dbraw/zinc/73/46/59/971734659.db2.gz GHPVWIKYKKQYKT-OAQYLSRUSA-N 2 1 405.586 3.804 20 0 HHADMP C[C@H](C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)[NH+]1CCc2ccccc2C1 ZINC000303443726 971734665 /nfs/dbraw/zinc/73/46/65/971734665.db2.gz GHPVWIKYKKQYKT-OAQYLSRUSA-N 2 1 405.586 3.804 20 0 HHADMP C[C@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)[NH+]1CCc2ccccc2C1 ZINC000303443726 971734675 /nfs/dbraw/zinc/73/46/75/971734675.db2.gz GHPVWIKYKKQYKT-OAQYLSRUSA-N 2 1 405.586 3.804 20 0 HHADMP CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000524300482 1013111867 /nfs/dbraw/zinc/11/18/67/1013111867.db2.gz RVFRQGIXOIVZNB-APWZRJJASA-N 2 1 400.394 3.860 20 0 HHADMP C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000303494047 971791636 /nfs/dbraw/zinc/79/16/36/971791636.db2.gz STMNVBKMCMWKOI-BXABGAQFSA-N 2 1 403.570 3.745 20 0 HHADMP C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000303494047 971791640 /nfs/dbraw/zinc/79/16/40/971791640.db2.gz STMNVBKMCMWKOI-BXABGAQFSA-N 2 1 403.570 3.745 20 0 HHADMP C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[NH+]1CCc2ccccc2C1 ZINC000303494047 971791644 /nfs/dbraw/zinc/79/16/44/971791644.db2.gz STMNVBKMCMWKOI-BXABGAQFSA-N 2 1 403.570 3.745 20 0 HHADMP C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCc2ccccc2C1 ZINC000303494047 971791652 /nfs/dbraw/zinc/79/16/52/971791652.db2.gz STMNVBKMCMWKOI-BXABGAQFSA-N 2 1 403.570 3.745 20 0 HHADMP C[C@H](C(=O)N1CCC[NH+](CCCc2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000303521840 971822663 /nfs/dbraw/zinc/82/26/63/971822663.db2.gz ZFABBSMIWRWESJ-JOCHJYFZSA-N 2 1 405.586 3.600 20 0 HHADMP C[C@H](C(=O)N1CCC[NH+](CCCc2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000303521840 971822666 /nfs/dbraw/zinc/82/26/66/971822666.db2.gz ZFABBSMIWRWESJ-JOCHJYFZSA-N 2 1 405.586 3.600 20 0 HHADMP C[C@H](C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)[NH+]1CCc2ccccc2C1 ZINC000303521840 971822667 /nfs/dbraw/zinc/82/26/67/971822667.db2.gz ZFABBSMIWRWESJ-JOCHJYFZSA-N 2 1 405.586 3.600 20 0 HHADMP C[C@H](C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)[NH+]1CCc2ccccc2C1 ZINC000303521840 971822670 /nfs/dbraw/zinc/82/26/70/971822670.db2.gz ZFABBSMIWRWESJ-JOCHJYFZSA-N 2 1 405.586 3.600 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000303705339 971971586 /nfs/dbraw/zinc/97/15/86/971971586.db2.gz XYTUTLLZSSHYHS-LEWJYISDSA-N 2 1 420.601 3.958 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2OCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000303765695 972015873 /nfs/dbraw/zinc/01/58/73/972015873.db2.gz PNYRESSIYWBKCS-IRLDBZIGSA-N 2 1 409.574 3.752 20 0 HHADMP C[C@@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)C(=O)N1CCc2ccccc21 ZINC000303788972 972029072 /nfs/dbraw/zinc/02/90/72/972029072.db2.gz JQOQRZODBJJHLH-LJQANCHMSA-N 2 1 406.574 3.854 20 0 HHADMP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000303799339 972035831 /nfs/dbraw/zinc/03/58/31/972035831.db2.gz ALDDRBTUVAKQFT-VWLOTQADSA-N 2 1 421.585 3.580 20 0 HHADMP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000303799339 972035837 /nfs/dbraw/zinc/03/58/37/972035837.db2.gz ALDDRBTUVAKQFT-VWLOTQADSA-N 2 1 421.585 3.580 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccccc2OCC(=O)N(C)C)CC1 ZINC000537623163 1013170927 /nfs/dbraw/zinc/17/09/27/1013170927.db2.gz YTQOQDDPPAEMHV-HXUWFJFHSA-N 2 1 401.595 3.630 20 0 HHADMP COc1c(C)cc(C[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)cc1C ZINC000537631262 1013184088 /nfs/dbraw/zinc/18/40/88/1013184088.db2.gz PYNDOLHJZHQUTB-UHFFFAOYSA-N 2 1 423.601 3.772 20 0 HHADMP COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]C2CC[NH+](C)CC2)c1 ZINC000017314026 963184782 /nfs/dbraw/zinc/18/47/82/963184782.db2.gz YIEWUJOYNNFKHQ-UHFFFAOYSA-N 2 1 406.530 3.740 20 0 HHADMP C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537843675 1013406754 /nfs/dbraw/zinc/40/67/54/1013406754.db2.gz SNSMOTRRWAKRJJ-IBGZPJMESA-N 2 1 412.553 3.506 20 0 HHADMP Cc1ccc(NC(=O)NC(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000537845766 1013410744 /nfs/dbraw/zinc/41/07/44/1013410744.db2.gz MSIWIFXXRVXRLR-UHFFFAOYSA-N 2 1 423.561 3.585 20 0 HHADMP Cc1cc([C@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)c2cccnc2)ccc1F ZINC000542472723 1013419670 /nfs/dbraw/zinc/41/96/70/1013419670.db2.gz PCNLTSNDCDYHIO-DEOSSOPVSA-N 2 1 420.532 3.700 20 0 HHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](c3ccc(F)cc3)c3cnccn3)CC2)oc1C ZINC000542474792 1013422346 /nfs/dbraw/zinc/42/23/46/1013422346.db2.gz NPNATNMPRNGMDF-HSZRJFAPSA-N 2 1 409.509 3.812 20 0 HHADMP C[NH+]1CCN([C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)c2cccs2)CC1 ZINC000542477566 1013425452 /nfs/dbraw/zinc/42/54/52/1013425452.db2.gz FMFQVRQFESIGBM-GGAORHGYSA-N 2 1 410.562 3.950 20 0 HHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)CC1 ZINC000537863127 1013435715 /nfs/dbraw/zinc/43/57/15/1013435715.db2.gz MMCMIDBAGHTCLW-HNNXBMFYSA-N 2 1 401.624 3.951 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)CC1 ZINC000537863127 1013435723 /nfs/dbraw/zinc/43/57/23/1013435723.db2.gz MMCMIDBAGHTCLW-HNNXBMFYSA-N 2 1 401.624 3.951 20 0 HHADMP CCOc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc1OCC(=O)Nc1ccccc1 ZINC000022820357 963722962 /nfs/dbraw/zinc/72/29/62/963722962.db2.gz BIXVJBFQPNHSMC-UHFFFAOYSA-N 2 1 423.557 3.819 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537876000 1013453230 /nfs/dbraw/zinc/45/32/30/1013453230.db2.gz WSMNDQKITFPGPE-YKSBVNFPSA-N 2 1 421.589 3.508 20 0 HHADMP Cc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c(C)s1 ZINC000542532458 1013475969 /nfs/dbraw/zinc/47/59/69/1013475969.db2.gz OUJHJVIOHXJJJQ-MSOLQXFVSA-N 2 1 415.603 3.553 20 0 HHADMP COc1ccc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1Br ZINC000025362090 964251416 /nfs/dbraw/zinc/25/14/16/964251416.db2.gz ZBWYXTNLNKYOEY-QGZVFWFLSA-N 2 1 424.408 3.598 20 0 HHADMP CCOc1cc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc(Cl)c1OC ZINC000025362139 964252516 /nfs/dbraw/zinc/25/25/16/964252516.db2.gz LLSBQCYGMULKCA-SFHVURJKSA-N 2 1 424.010 3.887 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)c1 ZINC000050136907 964273945 /nfs/dbraw/zinc/27/39/45/964273945.db2.gz YHNSRIQOVQAOKD-NRFANRHFSA-N 2 1 414.619 3.911 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000050136907 964273956 /nfs/dbraw/zinc/27/39/56/964273956.db2.gz YHNSRIQOVQAOKD-NRFANRHFSA-N 2 1 414.619 3.911 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000050136907 964273964 /nfs/dbraw/zinc/27/39/64/964273964.db2.gz YHNSRIQOVQAOKD-NRFANRHFSA-N 2 1 414.619 3.911 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(F)c1 ZINC000050137159 964275362 /nfs/dbraw/zinc/27/53/62/964275362.db2.gz INRDCHYKSJUYII-UTKZUKDTSA-N 2 1 418.582 3.701 20 0 HHADMP COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]CCn2cc[nH+]c2C)c1 ZINC000052120017 964817206 /nfs/dbraw/zinc/81/72/06/964817206.db2.gz IJQFPWHYMUYCIJ-UHFFFAOYSA-N 2 1 417.513 3.851 20 0 HHADMP Cc1[nH+]ccn1CCNC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000052288967 964859956 /nfs/dbraw/zinc/85/99/56/964859956.db2.gz VDOXCUYWJUVMAI-UHFFFAOYSA-N 2 1 417.557 3.954 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)cc2)C[C@@H](C)O1 ZINC000028843806 965199250 /nfs/dbraw/zinc/19/92/50/965199250.db2.gz RDKNVXVDNQOLAV-DNRQZRRGSA-N 2 1 421.585 3.863 20 0 HHADMP COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)c2)cc1 ZINC000537979303 1013555818 /nfs/dbraw/zinc/55/58/18/1013555818.db2.gz AMRQBCDTIVCDTR-PMAPCBKXSA-N 2 1 411.546 3.645 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)cc1 ZINC000537983463 1013558675 /nfs/dbraw/zinc/55/86/75/1013558675.db2.gz MYEAIQUEHOLAKK-UMWDTMKUSA-N 2 1 400.526 3.988 20 0 HHADMP COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000029173945 965296012 /nfs/dbraw/zinc/29/60/12/965296012.db2.gz ONHGSFONSQHRNW-ROUUACIJSA-N 2 1 411.546 3.618 20 0 HHADMP Cc1cccc(C[NH+]2CCN(C(=O)NCc3ccccc3C[NH+]3CCCC3)CC2)c1 ZINC000029655821 965447400 /nfs/dbraw/zinc/44/74/00/965447400.db2.gz SEQMQXCWRGZKKE-UHFFFAOYSA-N 2 1 406.574 3.618 20 0 HHADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889400 965573009 /nfs/dbraw/zinc/57/30/09/965573009.db2.gz JWIKYDJENNRTMG-IBGZPJMESA-N 2 1 415.578 3.763 20 0 HHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cccc(OCc3ccccn3)c2)c2cccs2)CC1 ZINC000030543801 965723960 /nfs/dbraw/zinc/72/39/60/965723960.db2.gz QKVGSYPJJQIAHK-HSZRJFAPSA-N 2 1 422.598 3.800 20 0 HHADMP CC(C)[N@H+](Cc1ccc(NC(=O)N(C)CCC[NH+](C)C)cc1)C[C@@H]1CCCCO1 ZINC000542732608 1013644740 /nfs/dbraw/zinc/64/47/40/1013644740.db2.gz CZVSGMOIXBTZNC-QFIPXVFZSA-N 2 1 404.599 3.882 20 0 HHADMP C[C@H](CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000061231694 966404328 /nfs/dbraw/zinc/40/43/28/966404328.db2.gz XAUCSCVBVVJFCQ-WIYYLYMNSA-N 2 1 412.603 3.631 20 0 HHADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)c(OC)c(Br)c2)C1 ZINC000037644499 966476271 /nfs/dbraw/zinc/47/62/71/966476271.db2.gz SIKWTOSXXHGGRQ-LLVKDONJSA-N 2 1 406.162 3.652 20 0 HHADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)c(OC)c(Br)c2)C1 ZINC000037644499 966476279 /nfs/dbraw/zinc/47/62/79/966476279.db2.gz SIKWTOSXXHGGRQ-LLVKDONJSA-N 2 1 406.162 3.652 20 0 HHADMP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000061788258 966552133 /nfs/dbraw/zinc/55/21/33/966552133.db2.gz ZAXSZWGJYCHDHX-GOSISDBHSA-N 2 1 404.624 3.867 20 0 HHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000061788258 966552141 /nfs/dbraw/zinc/55/21/41/966552141.db2.gz ZAXSZWGJYCHDHX-GOSISDBHSA-N 2 1 404.624 3.867 20 0 HHADMP CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000061788895 966553221 /nfs/dbraw/zinc/55/32/21/966553221.db2.gz OCHMXBMJFLTBKX-UHFFFAOYSA-N 2 1 404.624 3.820 20 0 HHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000061788895 966553230 /nfs/dbraw/zinc/55/32/30/966553230.db2.gz OCHMXBMJFLTBKX-UHFFFAOYSA-N 2 1 404.624 3.820 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000061908024 966578539 /nfs/dbraw/zinc/57/85/39/966578539.db2.gz POSXWANBDLQFFV-UHFFFAOYSA-N 2 1 408.590 3.911 20 0 HHADMP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000062487533 966689381 /nfs/dbraw/zinc/68/93/81/966689381.db2.gz QVNMWQYQHJIIBY-HSZRJFAPSA-N 2 1 412.553 3.564 20 0 HHADMP CN(CCC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1cc[nH+]cc1 ZINC000542784825 1013680993 /nfs/dbraw/zinc/68/09/93/1013680993.db2.gz RCTRJUKKFBQFBB-IERDGZPVSA-N 2 1 404.917 3.510 20 0 HHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000043167038 966922550 /nfs/dbraw/zinc/92/25/50/966922550.db2.gz GGEIGMATQCBCDS-JOCHJYFZSA-N 2 1 410.562 3.642 20 0 HHADMP CSC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000542846041 1013705068 /nfs/dbraw/zinc/70/50/68/1013705068.db2.gz JFGCHUBGFIMAEB-LJQANCHMSA-N 2 1 403.558 3.973 20 0 HHADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c(Br)c1 ZINC000542850554 1013709409 /nfs/dbraw/zinc/70/94/09/1013709409.db2.gz YXESRPITXBBMHA-YJBOKZPZSA-N 2 1 419.363 3.875 20 0 HHADMP O[C@@H](C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000065274805 967423275 /nfs/dbraw/zinc/42/32/75/967423275.db2.gz VPPROHCAVQTZPX-QHCPKHFHSA-N 2 1 424.976 3.798 20 0 HHADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000045975914 967613937 /nfs/dbraw/zinc/61/39/37/967613937.db2.gz VCTDHGMQDHKIDR-FQEVSTJZSA-N 2 1 401.599 3.523 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)cc1)C1CC1 ZINC000538222365 1013772253 /nfs/dbraw/zinc/77/22/53/1013772253.db2.gz AEAZFHVYPFHRLG-UHFFFAOYSA-N 2 1 407.558 3.880 20 0 HHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000047571298 968242346 /nfs/dbraw/zinc/24/23/46/968242346.db2.gz CTEUEZCSXAREJF-UHFFFAOYSA-N 2 1 404.518 3.804 20 0 HHADMP CC[NH+]1CCN(c2ccc(C(=O)Nc3cccc(CC[N@@H+](C)C4CC4)c3)cc2)CC1 ZINC000538232382 1013780572 /nfs/dbraw/zinc/78/05/72/1013780572.db2.gz BWCZHMWZOJDCRG-UHFFFAOYSA-N 2 1 406.574 3.718 20 0 HHADMP COc1cc2c(cc1C[NH2+]Cc1ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc1)O[C@@H](C)C2 ZINC000047609665 968258033 /nfs/dbraw/zinc/25/80/33/968258033.db2.gz YGKLNFGJLJCEJN-GBESFXJTSA-N 2 1 410.558 3.918 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)NCc1ccccc1C[N@H+](C)C(C)C)[NH+](C)C ZINC000047914250 968361005 /nfs/dbraw/zinc/36/10/05/968361005.db2.gz RUFVBXWGFNFEOL-JOCHJYFZSA-N 2 1 412.578 3.638 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)NCc1ccccc1C[N@@H+](C)C(C)C)[NH+](C)C ZINC000047914250 968361020 /nfs/dbraw/zinc/36/10/20/968361020.db2.gz RUFVBXWGFNFEOL-JOCHJYFZSA-N 2 1 412.578 3.638 20 0 HHADMP Brc1cccc(-c2noc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)n2)c1 ZINC000047969415 968380786 /nfs/dbraw/zinc/38/07/86/968380786.db2.gz LUOGWHRJCDYNAB-UHFFFAOYSA-N 2 1 405.340 3.807 20 0 HHADMP C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)[N@@H+]1CCc2sccc2C1 ZINC000048220650 968489750 /nfs/dbraw/zinc/48/97/50/968489750.db2.gz NOPKROSPKHFCBX-GOSISDBHSA-N 2 1 412.603 3.590 20 0 HHADMP C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)[N@H+]1CCc2sccc2C1 ZINC000048220650 968489756 /nfs/dbraw/zinc/48/97/56/968489756.db2.gz NOPKROSPKHFCBX-GOSISDBHSA-N 2 1 412.603 3.590 20 0 HHADMP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]Cc1cccc(N3CCCC3=O)c1)c1ccccc1O2 ZINC000538262342 1013803818 /nfs/dbraw/zinc/80/38/18/1013803818.db2.gz UYPISQBUPTUKRI-JOCHJYFZSA-N 2 1 405.542 3.891 20 0 HHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)[NH+](C)C ZINC000554146489 1013821941 /nfs/dbraw/zinc/82/19/41/1013821941.db2.gz XXMJZMOBFIXVDU-RDPSFJRHSA-N 2 1 424.589 3.683 20 0 HHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)c1 ZINC000065976490 968746992 /nfs/dbraw/zinc/74/69/92/968746992.db2.gz VYSQPLQFLDVVJK-UHFFFAOYSA-N 2 1 406.530 3.978 20 0 HHADMP Cc1cccc(C[NH+]2CCN(C(=O)NCCCC[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)c1 ZINC000071935855 968896577 /nfs/dbraw/zinc/89/65/77/968896577.db2.gz LQLJWEDAPZSUFD-FGZHOGPDSA-N 2 1 400.611 3.580 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000097549223 969157731 /nfs/dbraw/zinc/15/77/31/969157731.db2.gz TVXWIIZQHMUYKK-JWQCQUIFSA-N 2 1 405.586 3.579 20 0 HHADMP O=C(NC[C@H]1CC[NH+](CCc2ccccc2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000097549223 969157737 /nfs/dbraw/zinc/15/77/37/969157737.db2.gz TVXWIIZQHMUYKK-JWQCQUIFSA-N 2 1 405.586 3.579 20 0 HHADMP O=C(NC[C@H]1CC[NH+](CCc2ccccc2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000097549223 969157762 /nfs/dbraw/zinc/15/77/62/969157762.db2.gz TVXWIIZQHMUYKK-JWQCQUIFSA-N 2 1 405.586 3.579 20 0 HHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nn(-c4ccccc4)c4c3CCC4)CC2)C[C@@H](C)O1 ZINC000112516187 969813247 /nfs/dbraw/zinc/81/32/47/969813247.db2.gz GFHRCJWBLRDBBF-WOJBJXKFSA-N 2 1 408.590 3.682 20 0 HHADMP C[N@@H+](Cc1ccccc1NC(=O)NCCCC[NH+]1CCC[C@@H]1CO)C1CCCCC1 ZINC000112680436 969823990 /nfs/dbraw/zinc/82/39/90/969823990.db2.gz OJIQNZHSHLBJLD-JOCHJYFZSA-N 2 1 416.610 3.810 20 0 HHADMP C[NH+](Cc1ccccc1NC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)C1CCCCC1 ZINC000112680436 969823995 /nfs/dbraw/zinc/82/39/95/969823995.db2.gz OJIQNZHSHLBJLD-JOCHJYFZSA-N 2 1 416.610 3.810 20 0 HHADMP C[NH+](Cc1ccccc1NC(=O)NCCCC[N@H+]1CCC[C@@H]1CO)C1CCCCC1 ZINC000112680436 969823999 /nfs/dbraw/zinc/82/39/99/969823999.db2.gz OJIQNZHSHLBJLD-JOCHJYFZSA-N 2 1 416.610 3.810 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000195648248 969932226 /nfs/dbraw/zinc/93/22/26/969932226.db2.gz VNVGWFDGHQDDLP-OAQYLSRUSA-N 2 1 418.585 3.588 20 0 HHADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000195648248 969932231 /nfs/dbraw/zinc/93/22/31/969932231.db2.gz VNVGWFDGHQDDLP-OAQYLSRUSA-N 2 1 418.585 3.588 20 0 HHADMP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2ccccc2Br)cc1 ZINC000236574455 970141964 /nfs/dbraw/zinc/14/19/64/970141964.db2.gz SYOQBJKWBOVYOJ-UHFFFAOYSA-N 2 1 416.363 3.565 20 0 HHADMP c1ccc2nc(N3CCCCC3)c(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)cc2c1 ZINC000236614373 970147267 /nfs/dbraw/zinc/14/72/67/970147267.db2.gz SKMJZDRAXSUGSH-FQEVSTJZSA-N 2 1 408.590 3.816 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)[C@@H](C)C1 ZINC000236866262 970182009 /nfs/dbraw/zinc/18/20/09/970182009.db2.gz PPJVELHZMQLFHY-JXFKEZNVSA-N 2 1 423.395 3.952 20 0 HHADMP COCCC[NH+]1CCC([NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)CC1 ZINC000237205507 970241347 /nfs/dbraw/zinc/24/13/47/970241347.db2.gz LRRDAZUPMVSOGH-UHFFFAOYSA-N 2 1 404.986 3.792 20 0 HHADMP COCCC[NH+]1CCC([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000237210845 970242159 /nfs/dbraw/zinc/24/21/59/970242159.db2.gz HELQVGUHTBZPKZ-UHFFFAOYSA-N 2 1 419.573 3.584 20 0 HHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000237418978 970281838 /nfs/dbraw/zinc/28/18/38/970281838.db2.gz HITLHIFPSLSNKG-IBGZPJMESA-N 2 1 400.530 3.924 20 0 HHADMP COc1ccc2cc(C[NH2+]Cc3cccc(C[N@H+]4CCC[C@@H](C(N)=O)C4)c3)ccc2c1 ZINC000237469880 970293706 /nfs/dbraw/zinc/29/37/06/970293706.db2.gz KLOXHRILGYRSDV-XMMPIXPASA-N 2 1 417.553 3.836 20 0 HHADMP COc1ccc2cc(C[NH2+]Cc3cccc(C[N@H+]4CCC[C@H](C(N)=O)C4)c3)ccc2c1 ZINC000237469913 970294575 /nfs/dbraw/zinc/29/45/75/970294575.db2.gz KLOXHRILGYRSDV-DEOSSOPVSA-N 2 1 417.553 3.836 20 0 HHADMP Clc1ccccc1[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)N1CCOCC1 ZINC000237644837 970328002 /nfs/dbraw/zinc/32/80/02/970328002.db2.gz SEIBJUHVCRIATH-XMMPIXPASA-N 2 1 413.993 3.968 20 0 HHADMP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc(Cl)cc3Cl)c2)C1 ZINC000237934184 970397736 /nfs/dbraw/zinc/39/77/36/970397736.db2.gz RZNFLQOWDSXMNI-SFHVURJKSA-N 2 1 406.357 3.981 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(Cl)cc3Cl)c2)C1 ZINC000237934184 970397742 /nfs/dbraw/zinc/39/77/42/970397742.db2.gz RZNFLQOWDSXMNI-SFHVURJKSA-N 2 1 406.357 3.981 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccccc3C(F)(F)F)c2)C1 ZINC000237934834 970399102 /nfs/dbraw/zinc/39/91/02/970399102.db2.gz JWYWCNUGLRFQQT-IBGZPJMESA-N 2 1 405.464 3.693 20 0 HHADMP COc1cccc([C@H](CNC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)[NH+]2CCCC2)c1 ZINC000255958487 970611252 /nfs/dbraw/zinc/61/12/52/970611252.db2.gz XWGUUOPZAGNVJO-UGKGYDQZSA-N 2 1 416.610 3.642 20 0 HHADMP C[C@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381303943 972780703 /nfs/dbraw/zinc/78/07/03/972780703.db2.gz BHEAXQRKRQPIAP-NBHGPNQESA-N 2 1 403.364 3.983 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000398164277 972878201 /nfs/dbraw/zinc/87/82/01/972878201.db2.gz SRXLERZEWMWTEX-TYCQWZJGSA-N 2 1 403.364 3.983 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCc3ccc(C[NH+](C)C)cc3)cc2)C1 ZINC000410350187 973939180 /nfs/dbraw/zinc/93/91/80/973939180.db2.gz BAVSOTAJLVWIRQ-FQEVSTJZSA-N 2 1 408.590 3.980 20 0 HHADMP CC[N@@H+](CCNC(=O)N1CCC[NH+](CC2CCCCC2)CC1)CCC(F)(F)F ZINC000425973017 974079238 /nfs/dbraw/zinc/07/92/38/974079238.db2.gz FFXXCIUSJOEMFG-UHFFFAOYSA-N 2 1 406.537 3.558 20 0 HHADMP CC[NH+](CCNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)CCC(F)(F)F ZINC000425973017 974079245 /nfs/dbraw/zinc/07/92/45/974079245.db2.gz FFXXCIUSJOEMFG-UHFFFAOYSA-N 2 1 406.537 3.558 20 0 HHADMP CC[NH+](CCNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)CCC(F)(F)F ZINC000425973017 974079247 /nfs/dbraw/zinc/07/92/47/974079247.db2.gz FFXXCIUSJOEMFG-UHFFFAOYSA-N 2 1 406.537 3.558 20 0 HHADMP Cc1cccc(C)c1NC(=O)CCC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425998319 974112782 /nfs/dbraw/zinc/11/27/82/974112782.db2.gz HWQHFSKLEAADRM-RUZDIDTESA-N 2 1 409.574 3.591 20 0 HHADMP Cc1cccc(C)c1NC(=O)CCC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425998319 974112789 /nfs/dbraw/zinc/11/27/89/974112789.db2.gz HWQHFSKLEAADRM-RUZDIDTESA-N 2 1 409.574 3.591 20 0 HHADMP Cc1cccc(C)c1NC(=O)CCC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425998319 974112796 /nfs/dbraw/zinc/11/27/96/974112796.db2.gz HWQHFSKLEAADRM-RUZDIDTESA-N 2 1 409.574 3.591 20 0 HHADMP Cc1cccc(C)c1NC(=O)CCC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425998319 974112798 /nfs/dbraw/zinc/11/27/98/974112798.db2.gz HWQHFSKLEAADRM-RUZDIDTESA-N 2 1 409.574 3.591 20 0 HHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2ccnc2)C1 ZINC000426012223 974130520 /nfs/dbraw/zinc/13/05/20/974130520.db2.gz CGHFYUATANJIIN-BVYCBKJFSA-N 2 1 409.578 3.921 20 0 HHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000426134917 974255879 /nfs/dbraw/zinc/25/58/79/974255879.db2.gz BJMHUCWDMVPPGA-NRFANRHFSA-N 2 1 402.583 3.889 20 0 HHADMP CSc1ccc(NC(=O)C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000426765354 974643318 /nfs/dbraw/zinc/64/33/18/974643318.db2.gz MVMWDSJIEBGLTI-QZTJIDSGSA-N 2 1 405.608 3.558 20 0 HHADMP Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000426769465 974646008 /nfs/dbraw/zinc/64/60/08/974646008.db2.gz JEAAPLQYQASRMB-ROUUACIJSA-N 2 1 407.986 3.798 20 0 HHADMP Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000426799214 974669389 /nfs/dbraw/zinc/66/93/89/974669389.db2.gz KJOZNKDGNAZTDK-ROUUACIJSA-N 2 1 407.986 3.798 20 0 HHADMP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426830670 974695918 /nfs/dbraw/zinc/69/59/18/974695918.db2.gz ZZGIDGCEUYLVLY-BBWFWOEESA-N 2 1 409.521 3.503 20 0 HHADMP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426830670 974695923 /nfs/dbraw/zinc/69/59/23/974695923.db2.gz ZZGIDGCEUYLVLY-BBWFWOEESA-N 2 1 409.521 3.503 20 0 HHADMP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426837503 974701976 /nfs/dbraw/zinc/70/19/76/974701976.db2.gz YHSIZKDUDQZSNH-HSALFYBXSA-N 2 1 419.585 3.556 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000426884846 974730871 /nfs/dbraw/zinc/73/08/71/974730871.db2.gz WIWDXIKTPYSSPV-UXPWSPDFSA-N 2 1 409.496 3.831 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000426884846 974730873 /nfs/dbraw/zinc/73/08/73/974730873.db2.gz WIWDXIKTPYSSPV-UXPWSPDFSA-N 2 1 409.496 3.831 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000426884846 974730878 /nfs/dbraw/zinc/73/08/78/974730878.db2.gz WIWDXIKTPYSSPV-UXPWSPDFSA-N 2 1 409.496 3.831 20 0 HHADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000427611219 975210760 /nfs/dbraw/zinc/21/07/60/975210760.db2.gz YKBPSUJNLVBEEH-XMMPIXPASA-N 2 1 409.574 3.704 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCc4nnc5n4CCCCC5)[C@@H]3C2)cc1 ZINC000428204071 975529187 /nfs/dbraw/zinc/52/91/87/975529187.db2.gz HWMXJODTTPMZFC-ZRBLBEILSA-N 2 1 407.606 3.827 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(C(F)(F)F)s3)c2)C1 ZINC000428880605 976171445 /nfs/dbraw/zinc/17/14/45/976171445.db2.gz LFSBEMGARXESJU-INIZCTEOSA-N 2 1 411.493 3.754 20 0 HHADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000429049091 976335008 /nfs/dbraw/zinc/33/50/08/976335008.db2.gz OECSLBBTOSGSQB-IBGZPJMESA-N 2 1 423.582 3.842 20 0 HHADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000429049091 976335024 /nfs/dbraw/zinc/33/50/24/976335024.db2.gz OECSLBBTOSGSQB-IBGZPJMESA-N 2 1 423.582 3.842 20 0 HHADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000429484939 976745130 /nfs/dbraw/zinc/74/51/30/976745130.db2.gz COSMTQCHEPUZQW-PKTZIBPZSA-N 2 1 423.605 3.839 20 0 HHADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000429484939 976745138 /nfs/dbraw/zinc/74/51/38/976745138.db2.gz COSMTQCHEPUZQW-PKTZIBPZSA-N 2 1 423.605 3.839 20 0 HHADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000429555911 976824400 /nfs/dbraw/zinc/82/44/00/976824400.db2.gz NUUZUQJTDSCQNV-GOTSBHOMSA-N 2 1 418.528 3.848 20 0 HHADMP COc1cccc([C@@H](C)[NH+]2CCN(C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)c1 ZINC000429686967 976980155 /nfs/dbraw/zinc/98/01/55/976980155.db2.gz UMZDWVLTUWXSDW-ATIYNZHBSA-N 2 1 423.601 3.665 20 0 HHADMP COc1cccc([C@@H](C)[NH+]2CCN(C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)c1 ZINC000429686967 976980160 /nfs/dbraw/zinc/98/01/60/976980160.db2.gz UMZDWVLTUWXSDW-ATIYNZHBSA-N 2 1 423.601 3.665 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000430669105 977680217 /nfs/dbraw/zinc/68/02/17/977680217.db2.gz JWGKOXQKBSNEBF-UHFFFAOYSA-N 2 1 411.512 3.974 20 0 HHADMP COc1ccc([C@H](C)CC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000430671160 977681922 /nfs/dbraw/zinc/68/19/22/977681922.db2.gz PLEXFIVQRZRBRE-HXUWFJFHSA-N 2 1 415.622 3.844 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1sccc1-n1cccc1 ZINC000430675763 977686902 /nfs/dbraw/zinc/68/69/02/977686902.db2.gz AIAOXZMCUCSLGO-UHFFFAOYSA-N 2 1 414.619 3.807 20 0 HHADMP Cc1nc2ccccc2cc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430682000 977691834 /nfs/dbraw/zinc/69/18/34/977691834.db2.gz WKDKBMCOLPIZEC-UHFFFAOYSA-N 2 1 408.590 3.812 20 0 HHADMP C[C@H](CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc(F)c1 ZINC000430683228 977692558 /nfs/dbraw/zinc/69/25/58/977692558.db2.gz YYMYLFTWFXHLID-LJQANCHMSA-N 2 1 403.586 3.974 20 0 HHADMP CCCOc1cccc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430682406 977692610 /nfs/dbraw/zinc/69/26/10/977692610.db2.gz SPXQNMXEPCLDPE-UHFFFAOYSA-N 2 1 401.595 3.744 20 0 HHADMP CN(C(=O)[C@@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000430872511 977837788 /nfs/dbraw/zinc/83/77/88/977837788.db2.gz JPKSDRFVKUJDPG-JOCHJYFZSA-N 2 1 420.601 3.702 20 0 HHADMP Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1C ZINC000430932463 977897182 /nfs/dbraw/zinc/89/71/82/977897182.db2.gz YWDGJLVEESLSFA-OAQYLSRUSA-N 2 1 414.638 3.759 20 0 HHADMP Cc1c2ccccc2[nH]c(=O)c1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430995113 977940262 /nfs/dbraw/zinc/94/02/62/977940262.db2.gz BSZWHKLSPUJXJY-UHFFFAOYSA-N 2 1 424.589 3.517 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cc2cc(F)ccc2[nH]1 ZINC000431052197 977980869 /nfs/dbraw/zinc/98/08/69/977980869.db2.gz UWHBTQZKSHAKET-UHFFFAOYSA-N 2 1 400.542 3.575 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1cccc(-n2cccn2)c1 ZINC000431062012 977992341 /nfs/dbraw/zinc/99/23/41/977992341.db2.gz NCOVRESIVMIQQI-UHFFFAOYSA-N 2 1 424.593 3.532 20 0 HHADMP CCOCc1cccc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000431189949 978085280 /nfs/dbraw/zinc/08/52/80/978085280.db2.gz AMBBAPZYGSTCIZ-UHFFFAOYSA-N 2 1 416.610 3.883 20 0 HHADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431383876 978258344 /nfs/dbraw/zinc/25/83/44/978258344.db2.gz QIUNBIIBPUIZJX-OAQYLSRUSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H](Cc1cccs1)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431659506 978417567 /nfs/dbraw/zinc/41/75/67/978417567.db2.gz SRHKIKPYASSUIZ-SFHVURJKSA-N 2 1 406.640 3.517 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[NH+](C)C ZINC000431675915 978429017 /nfs/dbraw/zinc/42/90/17/978429017.db2.gz JZVCSOMDFMJJER-WPYKKVEZSA-N 2 1 424.589 3.650 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[NH+](C)C ZINC000431675915 978429019 /nfs/dbraw/zinc/42/90/19/978429019.db2.gz JZVCSOMDFMJJER-WPYKKVEZSA-N 2 1 424.589 3.650 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000431688853 978436734 /nfs/dbraw/zinc/43/67/34/978436734.db2.gz FIWMEYUQANMPDW-HUVFLSCGSA-N 2 1 406.574 3.738 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000431688853 978436735 /nfs/dbraw/zinc/43/67/35/978436735.db2.gz FIWMEYUQANMPDW-HUVFLSCGSA-N 2 1 406.574 3.738 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000431688853 978436738 /nfs/dbraw/zinc/43/67/38/978436738.db2.gz FIWMEYUQANMPDW-HUVFLSCGSA-N 2 1 406.574 3.738 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000431688853 978436739 /nfs/dbraw/zinc/43/67/39/978436739.db2.gz FIWMEYUQANMPDW-HUVFLSCGSA-N 2 1 406.574 3.738 20 0 HHADMP CC(C)(C)[N@H+]1C[C@@H](C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)[C@H](C(F)(F)F)C1 ZINC000431792902 978516686 /nfs/dbraw/zinc/51/66/86/978516686.db2.gz XVPILSSJNSRRBZ-GUDVDZBRSA-N 2 1 411.512 3.849 20 0 HHADMP CC(C)(C)[N@H+]1C[C@@H](C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)[C@H](C(F)(F)F)C1 ZINC000431792903 978516758 /nfs/dbraw/zinc/51/67/58/978516758.db2.gz XVPILSSJNSRRBZ-QRVBRYPASA-N 2 1 411.512 3.849 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000431800757 978523533 /nfs/dbraw/zinc/52/35/33/978523533.db2.gz MFDSOLXSNPCEJE-DHIUTWEWSA-N 2 1 416.585 3.519 20 0 HHADMP Cc1nc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc(C)c1CC(C)C ZINC000431835404 978545111 /nfs/dbraw/zinc/54/51/11/978545111.db2.gz PAQVQMJSFCQNGR-UHFFFAOYSA-N 2 1 401.643 3.924 20 0 HHADMP C[C@H](CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)[N@H+]1CCC[C@H](C)C1 ZINC000431920820 978602263 /nfs/dbraw/zinc/60/22/63/978602263.db2.gz VKLDBZDPELXNDY-FCHUYYIVSA-N 2 1 412.622 3.805 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NC[C@H]1CCc2ccccc21 ZINC000431976230 978626773 /nfs/dbraw/zinc/62/67/73/978626773.db2.gz BDEUTBFXFBYOJC-JOCHJYFZSA-N 2 1 412.622 3.554 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cc(N(C)c2ccccc2)ncn1 ZINC000432315956 978758214 /nfs/dbraw/zinc/75/82/14/978758214.db2.gz XLZAEESFZOAPEK-UHFFFAOYSA-N 2 1 422.621 3.877 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(-c2cccnc2)ccc1C ZINC000432805981 978980026 /nfs/dbraw/zinc/98/00/26/978980026.db2.gz RBEWJRUHHKOINA-JOCHJYFZSA-N 2 1 409.578 3.937 20 0 HHADMP COc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433051628 979052602 /nfs/dbraw/zinc/05/26/02/979052602.db2.gz IBAIOLVQCGBSTE-NRFANRHFSA-N 2 1 421.585 3.688 20 0 HHADMP CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433055461 979053769 /nfs/dbraw/zinc/05/37/69/979053769.db2.gz WDFIACLNALPBOH-HXUWFJFHSA-N 2 1 409.578 3.779 20 0 HHADMP CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433055461 979053776 /nfs/dbraw/zinc/05/37/76/979053776.db2.gz WDFIACLNALPBOH-HXUWFJFHSA-N 2 1 409.578 3.779 20 0 HHADMP COc1cccc(COC[C@H](O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433132341 979090646 /nfs/dbraw/zinc/09/06/46/979090646.db2.gz XAHMPNDLDQMLIY-XMMPIXPASA-N 2 1 424.585 3.561 20 0 HHADMP O=C1[C@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCCN1CC(F)(F)F ZINC000433168990 979113320 /nfs/dbraw/zinc/11/33/20/979113320.db2.gz PHGOXJOZYASBEU-LJQANCHMSA-N 2 1 409.496 3.528 20 0 HHADMP CCOc1ccc(OC[C@@H](O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000433215105 979147879 /nfs/dbraw/zinc/14/78/79/979147879.db2.gz WXEQHZKJCHUIII-QHCPKHFHSA-N 2 1 424.585 3.813 20 0 HHADMP CC(C)[NH+]1CCC(N2CCN(c3cc[nH+]c4ccc(Br)cc43)CC2)CC1 ZINC000433533310 979363087 /nfs/dbraw/zinc/36/30/87/979363087.db2.gz JZDNPJRHAIOLOV-UHFFFAOYSA-N 2 1 417.395 3.992 20 0 HHADMP O[C@@H](CO[C@H]1CCCc2ccccc21)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434689594 980341533 /nfs/dbraw/zinc/34/15/33/980341533.db2.gz WRYVEDHHDOLFOI-VWNXMTODSA-N 2 1 409.574 3.854 20 0 HHADMP O=C(CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)N[C@@H]1CCCc2ccccc21 ZINC000434691997 980343479 /nfs/dbraw/zinc/34/34/79/980343479.db2.gz VKFRNTBQSVFIOG-HSZRJFAPSA-N 2 1 406.574 3.983 20 0 HHADMP O=C(CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)N[C@H]1CCCc2ccccc21 ZINC000434691998 980343885 /nfs/dbraw/zinc/34/38/85/980343885.db2.gz VKFRNTBQSVFIOG-QHCPKHFHSA-N 2 1 406.574 3.983 20 0 HHADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@H+](CCO)C1CCN(C)CC1 ZINC000434992001 980554252 /nfs/dbraw/zinc/55/42/52/980554252.db2.gz PWSUHVTYFPJBIE-UHFFFAOYSA-N 2 1 404.558 3.736 20 0 HHADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1CN(CCO)C1CC[NH+](C)CC1 ZINC000434992001 980554256 /nfs/dbraw/zinc/55/42/56/980554256.db2.gz PWSUHVTYFPJBIE-UHFFFAOYSA-N 2 1 404.558 3.736 20 0 HHADMP Nc1ccc(F)c(NC(=O)CC[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000435028412 980581901 /nfs/dbraw/zinc/58/19/01/980581901.db2.gz UTXVFZCXOIPKPM-DEOSSOPVSA-N 2 1 410.537 3.725 20 0 HHADMP Nc1ccc(F)c(NC(=O)CC[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000435028412 980581907 /nfs/dbraw/zinc/58/19/07/980581907.db2.gz UTXVFZCXOIPKPM-DEOSSOPVSA-N 2 1 410.537 3.725 20 0 HHADMP Nc1ccc(F)c(NC(=O)CC[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000435028412 980581912 /nfs/dbraw/zinc/58/19/12/980581912.db2.gz UTXVFZCXOIPKPM-DEOSSOPVSA-N 2 1 410.537 3.725 20 0 HHADMP Cc1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)n([C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000435521263 980916930 /nfs/dbraw/zinc/91/69/30/980916930.db2.gz GJKPJZOGXPMARF-FCEUIQTBSA-N 2 1 424.593 3.585 20 0 HHADMP Cc1cc(NC(=O)N2CCC([NH2+]C(C)C)CC2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435526398 980920410 /nfs/dbraw/zinc/92/04/10/980920410.db2.gz HTJJEDAMVGUNEQ-QFIPXVFZSA-N 2 1 424.593 3.633 20 0 HHADMP Cc1cc(NC(=O)NCC[N@H+](C)C2CCCC2)n([C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000435527373 980921539 /nfs/dbraw/zinc/92/15/39/980921539.db2.gz LRDQCGSZHUOHBL-QFIPXVFZSA-N 2 1 424.593 3.634 20 0 HHADMP Cc1cc(NC(=O)NCC[NH+](C)C2CCCC2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435527373 980921550 /nfs/dbraw/zinc/92/15/50/980921550.db2.gz LRDQCGSZHUOHBL-QFIPXVFZSA-N 2 1 424.593 3.634 20 0 HHADMP Cc1cc(NC(=O)NCC[NH+](C)C2CCCC2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435527373 980921555 /nfs/dbraw/zinc/92/15/55/980921555.db2.gz LRDQCGSZHUOHBL-QFIPXVFZSA-N 2 1 424.593 3.634 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(C)nn1[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000435532020 980925347 /nfs/dbraw/zinc/92/53/47/980925347.db2.gz CVYSDTRZCMBWEA-YADHBBJMSA-N 2 1 424.593 3.587 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435532020 980925350 /nfs/dbraw/zinc/92/53/50/980925350.db2.gz CVYSDTRZCMBWEA-YADHBBJMSA-N 2 1 424.593 3.587 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(C)nn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000435532020 980925351 /nfs/dbraw/zinc/92/53/51/980925351.db2.gz CVYSDTRZCMBWEA-YADHBBJMSA-N 2 1 424.593 3.587 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000435785863 981030688 /nfs/dbraw/zinc/03/06/88/981030688.db2.gz QOZHPOWGMIHEHG-DSNGMDLFSA-N 2 1 424.633 3.553 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3cnn(Cc4ccc(F)cc4)c3)cc2)C[C@H](C)O1 ZINC000436274744 981280530 /nfs/dbraw/zinc/28/05/30/981280530.db2.gz MVUPKEYRSWIGTK-BGYRXZFFSA-N 2 1 422.548 3.970 20 0 HHADMP Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@H]3CCC[N@H+]3C3CCCCC3)CC2)cc1 ZINC000436289431 981284930 /nfs/dbraw/zinc/28/49/30/981284930.db2.gz MXICZKRKAYSMEY-QFIPXVFZSA-N 2 1 419.635 3.535 20 0 HHADMP Cn1cc[nH+]c1CC1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000448214548 981629153 /nfs/dbraw/zinc/62/91/53/981629153.db2.gz QWOOVRNBXLDINA-UHFFFAOYSA-N 2 1 409.578 3.570 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@@H]3CCC[N@@H+](CC(C)C)C3)c(C)c2)CC1 ZINC000448222936 981637543 /nfs/dbraw/zinc/63/75/43/981637543.db2.gz AUVBMMRQHOIHNX-NRFANRHFSA-N 2 1 415.626 3.626 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc2c(c1O)CCCC2 ZINC000436959855 981648689 /nfs/dbraw/zinc/64/86/89/981648689.db2.gz IQYBEHXSUKXPGT-UHFFFAOYSA-N 2 1 413.606 3.539 20 0 HHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000448365747 981725804 /nfs/dbraw/zinc/72/58/04/981725804.db2.gz JUQVWUMRZUEICR-WMZHIEFXSA-N 2 1 414.594 3.888 20 0 HHADMP C[C@H](c1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1)[NH+]1CCOCC1 ZINC000448369234 981729142 /nfs/dbraw/zinc/72/91/42/981729142.db2.gz ZDTSRSLZHSSQNB-RFWXGWTQSA-N 2 1 412.578 3.560 20 0 HHADMP C[C@H](c1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1)[NH+]1CCOCC1 ZINC000448369234 981729149 /nfs/dbraw/zinc/72/91/49/981729149.db2.gz ZDTSRSLZHSSQNB-RFWXGWTQSA-N 2 1 412.578 3.560 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)[C@@H](C)C1 ZINC000448461686 981795471 /nfs/dbraw/zinc/79/54/71/981795471.db2.gz NGBYUQGICAQBLX-LAUBAEHRSA-N 2 1 407.002 3.676 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000448463824 981797400 /nfs/dbraw/zinc/79/74/00/981797400.db2.gz DRAYJHWYVKWSJP-HSZRJFAPSA-N 2 1 400.611 3.840 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)[NH+]2CCCC2)cc1 ZINC000448465420 981799750 /nfs/dbraw/zinc/79/97/50/981799750.db2.gz IEGDBMITQIIJRJ-JOCHJYFZSA-N 2 1 409.578 3.530 20 0 HHADMP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448466111 981801183 /nfs/dbraw/zinc/80/11/83/981801183.db2.gz MIGILULBEDXFGB-MISYRCLQSA-N 2 1 402.608 3.543 20 0 HHADMP Cn1cc[nH+]c1CC1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000448467755 981804274 /nfs/dbraw/zinc/80/42/74/981804274.db2.gz SCXVURJEWKARHR-UHFFFAOYSA-N 2 1 401.599 3.573 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)[C@@H](C)C1 ZINC000448468167 981806192 /nfs/dbraw/zinc/80/61/92/981806192.db2.gz UMYRMALVNNXQIA-NZQKXSOJSA-N 2 1 400.611 3.790 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)[C@H](C)C1 ZINC000448468507 981806700 /nfs/dbraw/zinc/80/67/00/981806700.db2.gz VLBWCCBUGWWFAQ-VIZSFHNOSA-N 2 1 400.611 3.933 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)[C@H](C)C1 ZINC000448468507 981806713 /nfs/dbraw/zinc/80/67/13/981806713.db2.gz VLBWCCBUGWWFAQ-VIZSFHNOSA-N 2 1 400.611 3.933 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)[C@H](C)C1 ZINC000448468507 981806728 /nfs/dbraw/zinc/80/67/28/981806728.db2.gz VLBWCCBUGWWFAQ-VIZSFHNOSA-N 2 1 400.611 3.933 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000448468725 981806834 /nfs/dbraw/zinc/80/68/34/981806834.db2.gz WGZVCPJFWVKEAG-QTEQDKRBSA-N 2 1 400.611 3.790 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000448468725 981806843 /nfs/dbraw/zinc/80/68/43/981806843.db2.gz WGZVCPJFWVKEAG-QTEQDKRBSA-N 2 1 400.611 3.790 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000448468725 981806853 /nfs/dbraw/zinc/80/68/53/981806853.db2.gz WGZVCPJFWVKEAG-QTEQDKRBSA-N 2 1 400.611 3.790 20 0 HHADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000437634695 982254875 /nfs/dbraw/zinc/25/48/75/982254875.db2.gz MPUJVGXGXTVSLS-HSZRJFAPSA-N 2 1 416.585 3.886 20 0 HHADMP C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000437644063 982263426 /nfs/dbraw/zinc/26/34/26/982263426.db2.gz USTGNCNNYVBZLJ-QFIPXVFZSA-N 2 1 416.610 3.613 20 0 HHADMP O=C(NC1CC[NH+](C2CCCC2)CC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000460472876 982266211 /nfs/dbraw/zinc/26/62/11/982266211.db2.gz ZLKDIZHHPNGJPA-VXKWHMMOSA-N 2 1 410.606 3.557 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000437772634 982347117 /nfs/dbraw/zinc/34/71/17/982347117.db2.gz KGCHNHMNKKDLHE-QZTJIDSGSA-N 2 1 413.484 3.558 20 0 HHADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000437852039 982409442 /nfs/dbraw/zinc/40/94/42/982409442.db2.gz LREJJROFXZVTKS-JOCHJYFZSA-N 2 1 401.620 3.762 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cnn(Cc4ccc(F)cc4)c3)CC2)C[C@H](C)O1 ZINC000438114902 982595179 /nfs/dbraw/zinc/59/51/79/982595179.db2.gz PLYOQCRFOHRSBD-BGYRXZFFSA-N 2 1 414.569 3.782 20 0 HHADMP COC(=O)c1ccc(COc2ccccc2C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000438119285 982597462 /nfs/dbraw/zinc/59/74/62/982597462.db2.gz OWLJJYWRFLGFPC-NRFANRHFSA-N 2 1 408.542 3.970 20 0 HHADMP COC(=O)c1ccc(COc2ccccc2C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000438119285 982597468 /nfs/dbraw/zinc/59/74/68/982597468.db2.gz OWLJJYWRFLGFPC-NRFANRHFSA-N 2 1 408.542 3.970 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000438168960 982628787 /nfs/dbraw/zinc/62/87/87/982628787.db2.gz MKXXQCCQXBTXOV-HXUWFJFHSA-N 2 1 411.550 3.754 20 0 HHADMP Cc1ccc2c(C)cc(NCc3cccc(C[N@@H+]4CCC[C@@H](C(N)=O)C4)c3)[nH+]c2c1 ZINC000460939070 982676998 /nfs/dbraw/zinc/67/69/98/982676998.db2.gz MPZSQZNZLYPGAV-OAQYLSRUSA-N 2 1 402.542 4.161 20 0 HHADMP Cc1ccc2c(C)cc(NCc3cccc(C[N@H+]4CCC[C@@H](C(N)=O)C4)c3)[nH+]c2c1 ZINC000460939070 982677003 /nfs/dbraw/zinc/67/70/03/982677003.db2.gz MPZSQZNZLYPGAV-OAQYLSRUSA-N 2 1 402.542 4.161 20 0 HHADMP O=C(c1ccc(Cn2ccnc2)cc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461451813 983117482 /nfs/dbraw/zinc/11/74/82/983117482.db2.gz TVJLIYYADXNOPH-ZEQRLZLVSA-N 2 1 400.526 3.526 20 0 HHADMP C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000461467401 983129512 /nfs/dbraw/zinc/12/95/12/983129512.db2.gz OJQNAIXTQGUBQI-QFIPXVFZSA-N 2 1 409.574 3.659 20 0 HHADMP CCC[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccc(C)nc3)C[C@@H]2[C@@H](C)CC)CC1 ZINC000438954527 983175333 /nfs/dbraw/zinc/17/53/33/983175333.db2.gz AINZLXACHAIINN-WMZHIEFXSA-N 2 1 415.626 3.506 20 0 HHADMP CCC[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccc(C)nc3)C[C@@H]2[C@@H](C)CC)CC1 ZINC000438954527 983175337 /nfs/dbraw/zinc/17/53/37/983175337.db2.gz AINZLXACHAIINN-WMZHIEFXSA-N 2 1 415.626 3.506 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(=O)N1CCc2ccccc21 ZINC000439600217 983466703 /nfs/dbraw/zinc/46/67/03/983466703.db2.gz VIMGMMDBIMQDKE-IBGZPJMESA-N 2 1 403.526 3.979 20 0 HHADMP CCC[N@H+](CC(=O)N(CC)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000440462475 983766101 /nfs/dbraw/zinc/76/61/01/983766101.db2.gz WCUSDFAJPAAHOW-UHFFFAOYSA-N 2 1 409.578 3.827 20 0 HHADMP CCC[N@@H+](CC(=O)N(CC)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000440462475 983766104 /nfs/dbraw/zinc/76/61/04/983766104.db2.gz WCUSDFAJPAAHOW-UHFFFAOYSA-N 2 1 409.578 3.827 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC3CCC(C[NH+](C)C)CC3)cc2)C1 ZINC000440827772 983925940 /nfs/dbraw/zinc/92/59/40/983925940.db2.gz AHFZQMAPNZSPQP-VWRAKTAISA-N 2 1 400.611 3.838 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)NCC[NH+]3CCC4(CCCCC4)CC3)CC2)[nH+]c1 ZINC000441019662 984025727 /nfs/dbraw/zinc/02/57/27/984025727.db2.gz KWPITYBGMQCNCZ-UHFFFAOYSA-N 2 1 413.610 3.704 20 0 HHADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ncc(-c3ccc(C)cc3)o2)CC1 ZINC000441207231 984115738 /nfs/dbraw/zinc/11/57/38/984115738.db2.gz WUBAERMIAMRALB-UHFFFAOYSA-N 2 1 412.578 3.710 20 0 HHADMP C[N@H+]1CCN(CC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC1(C)C ZINC000441337682 984193555 /nfs/dbraw/zinc/19/35/55/984193555.db2.gz BPQQWOREFNAHSG-UHFFFAOYSA-N 2 1 423.630 3.776 20 0 HHADMP C[N@H+]1CCN(CC[NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1(C)C ZINC000441368294 984212759 /nfs/dbraw/zinc/21/27/59/984212759.db2.gz SGBNEYPQNVBFNH-UHFFFAOYSA-N 2 1 414.981 3.708 20 0 HHADMP CCN(C(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000442247481 984768859 /nfs/dbraw/zinc/76/88/59/984768859.db2.gz DNRDMXKWDHDFJJ-DVRPDQNBSA-N 2 1 400.611 3.974 20 0 HHADMP Cc1cccc(N2CC[NH+](CCC(=O)NCc3ccccc3C[N@H+](C)C(C)C)CC2)c1 ZINC000461877950 984902277 /nfs/dbraw/zinc/90/22/77/984902277.db2.gz WXOUDMMJSVAIDB-UHFFFAOYSA-N 2 1 422.617 3.664 20 0 HHADMP C[C@H](c1ccc(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)cc1)[NH+]1CCOCC1 ZINC000462018425 984996400 /nfs/dbraw/zinc/99/64/00/984996400.db2.gz WSQICIWWSRRCTK-GOSISDBHSA-N 2 1 402.498 3.893 20 0 HHADMP C[N@H+]1CCN(CC[NH2+]C(Cc2ccccc2F)Cc2ccccc2F)CC1(C)C ZINC000442872893 985253737 /nfs/dbraw/zinc/25/37/37/985253737.db2.gz JGAHADKFBITWNC-UHFFFAOYSA-N 2 1 401.545 3.734 20 0 HHADMP COc1ccc(C[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c2ccc(OC)cc2)cc1 ZINC000442878674 985255723 /nfs/dbraw/zinc/25/57/23/985255723.db2.gz UITGMPCGRYKAQQ-XMMPIXPASA-N 2 1 411.590 3.603 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc(-c2ccc(N3CCC[NH+](C)CC3)c(Cl)c2)no1 ZINC000443200231 985440047 /nfs/dbraw/zinc/44/00/47/985440047.db2.gz GCCBONRAZMVCOK-IYBDPMFKSA-N 2 1 403.958 3.905 20 0 HHADMP C[C@@H]1CC[C@H](C)[NH+]1Cc1nc(-c2ccc(N3CCC[N@H+](C)CC3)c(Cl)c2)no1 ZINC000443200231 985440051 /nfs/dbraw/zinc/44/00/51/985440051.db2.gz GCCBONRAZMVCOK-IYBDPMFKSA-N 2 1 403.958 3.905 20 0 HHADMP C[C@@H]1CC[C@H](C)[NH+]1Cc1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1 ZINC000443200231 985440052 /nfs/dbraw/zinc/44/00/52/985440052.db2.gz GCCBONRAZMVCOK-IYBDPMFKSA-N 2 1 403.958 3.905 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000462532004 985480473 /nfs/dbraw/zinc/48/04/73/985480473.db2.gz XZPJQMQMJKICHY-RDPSFJRHSA-N 2 1 406.574 3.602 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000462532002 985480657 /nfs/dbraw/zinc/48/06/57/985480657.db2.gz XZPJQMQMJKICHY-GBXCKJPGSA-N 2 1 406.574 3.602 20 0 HHADMP Cc1ccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000462679998 985619041 /nfs/dbraw/zinc/61/90/41/985619041.db2.gz SQIOZHVGARGNDD-UGKGYDQZSA-N 2 1 410.562 3.577 20 0 HHADMP Cc1ccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000462679995 985619099 /nfs/dbraw/zinc/61/90/99/985619099.db2.gz SQIOZHVGARGNDD-DENIHFKCSA-N 2 1 410.562 3.577 20 0 HHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000462735471 985680470 /nfs/dbraw/zinc/68/04/70/985680470.db2.gz BHMHBBOYUPRUMK-GOTSBHOMSA-N 2 1 400.611 3.805 20 0 HHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462735471 985680475 /nfs/dbraw/zinc/68/04/75/985680475.db2.gz BHMHBBOYUPRUMK-GOTSBHOMSA-N 2 1 400.611 3.805 20 0 HHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462735471 985680481 /nfs/dbraw/zinc/68/04/81/985680481.db2.gz BHMHBBOYUPRUMK-GOTSBHOMSA-N 2 1 400.611 3.805 20 0 HHADMP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000468060802 985719143 /nfs/dbraw/zinc/71/91/43/985719143.db2.gz SRIXPSLLVNFFJJ-YTFSRNRJSA-N 2 1 409.574 3.988 20 0 HHADMP C[C@H](CCc1ccsc1)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000462785378 985720200 /nfs/dbraw/zinc/72/02/00/985720200.db2.gz PFDHHLPNGXOERH-GOSISDBHSA-N 2 1 401.576 3.520 20 0 HHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3coc(-c4c(F)cccc4F)n3)CC2)C[C@@H](C)O1 ZINC000443624565 985802737 /nfs/dbraw/zinc/80/27/37/985802737.db2.gz NKZQLGPAJZMLED-HZPDHXFCSA-N 2 1 405.489 3.941 20 0 HHADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000443635396 985817452 /nfs/dbraw/zinc/81/74/52/985817452.db2.gz YCWJHWSSSYWQHN-XUZZJYLKSA-N 2 1 414.638 3.703 20 0 HHADMP C[C@@H]1C[N@H+](C)C[C@@H]1c1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000463058461 986016399 /nfs/dbraw/zinc/01/63/99/986016399.db2.gz UZGPACHFFCRSAZ-JPYJTQIMSA-N 2 1 418.541 3.901 20 0 HHADMP C[C@@H]1C[N@@H+](C)C[C@@H]1c1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000463058461 986016412 /nfs/dbraw/zinc/01/64/12/986016412.db2.gz UZGPACHFFCRSAZ-JPYJTQIMSA-N 2 1 418.541 3.901 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)Cn3cccn3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463073854 986030621 /nfs/dbraw/zinc/03/06/21/986030621.db2.gz ZKHRZQBZJMLVNP-OFNKIYASSA-N 2 1 417.557 3.665 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)Cn3cccn3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463073854 986030626 /nfs/dbraw/zinc/03/06/26/986030626.db2.gz ZKHRZQBZJMLVNP-OFNKIYASSA-N 2 1 417.557 3.665 20 0 HHADMP CCC(CC)[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)N1CCOCC1 ZINC000463136441 986104206 /nfs/dbraw/zinc/10/42/06/986104206.db2.gz DYUZVKHCQFUQOE-DEOSSOPVSA-N 2 1 405.602 3.559 20 0 HHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463153212 986124107 /nfs/dbraw/zinc/12/41/07/986124107.db2.gz AUJQGDBIDVLFIR-OFVILXPXSA-N 3 1 407.602 3.786 20 0 HHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463153212 986124109 /nfs/dbraw/zinc/12/41/09/986124109.db2.gz AUJQGDBIDVLFIR-OFVILXPXSA-N 3 1 407.602 3.786 20 0 HHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000468450776 986145940 /nfs/dbraw/zinc/14/59/40/986145940.db2.gz PYGJGYDDALSNED-SZPZYZBQSA-N 2 1 420.601 3.816 20 0 HHADMP C[C@H]1C[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)C[N@@H+](Cc2ccccc2)C1 ZINC000468509830 986211321 /nfs/dbraw/zinc/21/13/21/986211321.db2.gz IIVXHBQNCGPFQK-RBBKRZOGSA-N 2 1 407.606 3.935 20 0 HHADMP C[C@H](CCc1ccccc1F)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000468510745 986211843 /nfs/dbraw/zinc/21/18/43/986211843.db2.gz IDMUSRFNJHKOJW-LJQANCHMSA-N 2 1 413.537 3.597 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000468511527 986212702 /nfs/dbraw/zinc/21/27/02/986212702.db2.gz NAQMBFXJSKYFFO-ILBGXUMGSA-N 2 1 421.585 3.848 20 0 HHADMP Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463270701 986237490 /nfs/dbraw/zinc/23/74/90/986237490.db2.gz YZDMGQFWHAHGIU-SZOBAZRNSA-N 2 1 414.569 3.847 20 0 HHADMP Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463270701 986237504 /nfs/dbraw/zinc/23/75/04/986237504.db2.gz YZDMGQFWHAHGIU-SZOBAZRNSA-N 2 1 414.569 3.847 20 0 HHADMP C[C@@H](C[NH2+]Cc1cc(Br)cc(Br)c1N)C[NH+]1CCCC1 ZINC000463292373 986259168 /nfs/dbraw/zinc/25/91/68/986259168.db2.gz STXCGBKNPNFGSZ-NSHDSACASA-N 2 1 405.178 3.615 20 0 HHADMP C[C@H]1CCc2c(sc3nc(CC[N@H+](C)CC[C@H]4CCCC[NH+]4C)nc(N)c23)C1 ZINC000444169450 986345867 /nfs/dbraw/zinc/34/58/67/986345867.db2.gz KFJJWEMLTNROPC-JKSUJKDBSA-N 2 1 401.624 3.747 20 0 HHADMP C[C@H]1CCc2c(sc3nc(CC[N@@H+](C)CC[C@H]4CCCC[NH+]4C)nc(N)c23)C1 ZINC000444169450 986345877 /nfs/dbraw/zinc/34/58/77/986345877.db2.gz KFJJWEMLTNROPC-JKSUJKDBSA-N 2 1 401.624 3.747 20 0 HHADMP C[C@H]1CCc2c(sc3nc(CC[NH+](C)CC[C@H]4CCCC[N@@H+]4C)nc(N)c23)C1 ZINC000444169450 986345888 /nfs/dbraw/zinc/34/58/88/986345888.db2.gz KFJJWEMLTNROPC-JKSUJKDBSA-N 2 1 401.624 3.747 20 0 HHADMP C[C@H]1CCc2c(sc3nc(CC[NH+](C)CC[C@H]4CCCC[N@H+]4C)nc(N)c23)C1 ZINC000444169450 986345897 /nfs/dbraw/zinc/34/58/97/986345897.db2.gz KFJJWEMLTNROPC-JKSUJKDBSA-N 2 1 401.624 3.747 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000444345700 986528388 /nfs/dbraw/zinc/52/83/88/986528388.db2.gz VJQHITOVMAMKRA-GOSISDBHSA-N 2 1 421.545 3.682 20 0 HHADMP C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CC1 ZINC000468885744 986592489 /nfs/dbraw/zinc/59/24/89/986592489.db2.gz HFORGWXQSNKCMH-UHFFFAOYSA-N 2 1 415.444 3.535 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)cc1)C1CC1 ZINC000444464105 986646335 /nfs/dbraw/zinc/64/63/35/986646335.db2.gz ZLRJERTXKOQNLL-UHFFFAOYSA-N 2 1 407.558 3.880 20 0 HHADMP COc1ccc(Cn2nc(C)c(C[NH2+]CCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2C)cc1 ZINC000463736359 986722550 /nfs/dbraw/zinc/72/25/50/986722550.db2.gz OJIGXFFXECYXCC-KDURUIRLSA-N 2 1 414.594 3.536 20 0 HHADMP O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000444543193 986733034 /nfs/dbraw/zinc/73/30/34/986733034.db2.gz JAQLUAMJFSKCBY-XMMPIXPASA-N 2 1 421.585 3.742 20 0 HHADMP CC[N@H+]1CC[C@H]([NH2+]CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H](C)C1 ZINC000469039557 986749235 /nfs/dbraw/zinc/74/92/35/986749235.db2.gz PIFXHPNKOJVCBI-RXVVDRJESA-N 2 1 412.544 3.537 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cc1 ZINC000444592954 986780097 /nfs/dbraw/zinc/78/00/97/986780097.db2.gz QEHRMAFUBZVZPN-KRWDZBQOSA-N 2 1 409.509 3.812 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)cc1 ZINC000444592954 986780107 /nfs/dbraw/zinc/78/01/07/986780107.db2.gz QEHRMAFUBZVZPN-KRWDZBQOSA-N 2 1 409.509 3.812 20 0 HHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000469116602 986833393 /nfs/dbraw/zinc/83/33/93/986833393.db2.gz BVSQCGOWTYUIDA-UHFFFAOYSA-N 2 1 413.472 3.929 20 0 HHADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000469176214 986901550 /nfs/dbraw/zinc/90/15/50/986901550.db2.gz XLJIIMCPMIKXHH-RZUBCFFCSA-N 2 1 409.574 3.976 20 0 HHADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000469176214 986901556 /nfs/dbraw/zinc/90/15/56/986901556.db2.gz XLJIIMCPMIKXHH-RZUBCFFCSA-N 2 1 409.574 3.976 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000469201657 986925896 /nfs/dbraw/zinc/92/58/96/986925896.db2.gz SGGTVNRXUCWJIK-HUUCEWRRSA-N 2 1 405.493 3.691 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC000469220081 986942343 /nfs/dbraw/zinc/94/23/43/986942343.db2.gz FCINESBCVUUMQO-WTIAFYNJSA-N 2 1 411.977 3.624 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC000469220081 986942345 /nfs/dbraw/zinc/94/23/45/986942345.db2.gz FCINESBCVUUMQO-WTIAFYNJSA-N 2 1 411.977 3.624 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC000469220081 986942347 /nfs/dbraw/zinc/94/23/47/986942347.db2.gz FCINESBCVUUMQO-WTIAFYNJSA-N 2 1 411.977 3.624 20 0 HHADMP CN(CCN1CCOC(C)(C)C1)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000469245946 986965113 /nfs/dbraw/zinc/96/51/13/986965113.db2.gz TUYZYQOQLPEGCN-UHFFFAOYSA-N 2 1 409.574 3.501 20 0 HHADMP COc1ccc2[nH]c(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CCN(C)CC3)cc2c1 ZINC000469367108 987064751 /nfs/dbraw/zinc/06/47/51/987064751.db2.gz JKVZYQIGWXERQP-PKTZIBPZSA-N 2 1 412.578 3.586 20 0 HHADMP O=C(NCC1CC[NH+](C2CC2)CC1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000444989396 987117710 /nfs/dbraw/zinc/11/77/10/987117710.db2.gz RWEYNONMJHNFLP-VWNXMTODSA-N 2 1 410.606 3.557 20 0 HHADMP C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000469465559 987149356 /nfs/dbraw/zinc/14/93/56/987149356.db2.gz XDUKDWIUHDGAIS-INIZCTEOSA-N 2 1 411.456 3.551 20 0 HHADMP CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)c1ccc(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000469561820 987231919 /nfs/dbraw/zinc/23/19/19/987231919.db2.gz HTXSLGBVKUEBJI-IYWMVGAKSA-N 2 1 414.594 3.724 20 0 HHADMP CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccc(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC000469561822 987232133 /nfs/dbraw/zinc/23/21/33/987232133.db2.gz HTXSLGBVKUEBJI-WTGUMLROSA-N 2 1 414.594 3.724 20 0 HHADMP CC[C@H](C[N@H+](C)CC(=O)NC1CC[NH+](CC)CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000469749096 987400274 /nfs/dbraw/zinc/40/02/74/987400274.db2.gz RFSJOMUOIPTGSQ-MRXNPFEDSA-N 2 1 416.393 3.683 20 0 HHADMP CC[C@H](C[N@@H+](C)CC(=O)NC1CC[NH+](CC)CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000469749096 987400276 /nfs/dbraw/zinc/40/02/76/987400276.db2.gz RFSJOMUOIPTGSQ-MRXNPFEDSA-N 2 1 416.393 3.683 20 0 HHADMP CC(C)CN(CC(F)(F)F)C(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000469760153 987413628 /nfs/dbraw/zinc/41/36/28/987413628.db2.gz HMLMSIRPLMLHKR-WGMWDUQUSA-N 2 1 413.528 3.780 20 0 HHADMP CC(C)CN(CC(F)(F)F)C(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000469760153 987413629 /nfs/dbraw/zinc/41/36/29/987413629.db2.gz HMLMSIRPLMLHKR-WGMWDUQUSA-N 2 1 413.528 3.780 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(I)cc2)[C@@H](C)C1 ZINC000469761597 987414975 /nfs/dbraw/zinc/41/49/75/987414975.db2.gz AOJCYXCFGXFKNA-YJBOKZPZSA-N 2 1 416.347 3.518 20 0 HHADMP COC(=O)c1cc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc(C(=O)OC)c1 ZINC000469782025 987428578 /nfs/dbraw/zinc/42/85/78/987428578.db2.gz XSEMYKIKVVIAES-QZTJIDSGSA-N 2 1 424.541 3.506 20 0 HHADMP COc1ccc2c(c1)CCCN2C(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000469783023 987429302 /nfs/dbraw/zinc/42/93/02/987429302.db2.gz IRRZKOUUOXRIIW-PMACEKPBSA-N 2 1 421.585 3.721 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[S@@](=O)c2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC000469787793 987433057 /nfs/dbraw/zinc/43/30/57/987433057.db2.gz RIFLGBOARPYGQL-XOETXKDRSA-N 2 1 421.434 3.828 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)Cn2c3ccccc3c3ccccc32)[C@@H](C)C1 ZINC000469794159 987437609 /nfs/dbraw/zinc/43/76/09/987437609.db2.gz NDMDLQMSRCPPOT-IMSXRSKXSA-N 2 1 423.601 3.882 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000463965855 988078528 /nfs/dbraw/zinc/07/85/28/988078528.db2.gz BFDHCIPLMXUFGQ-WOJBJXKFSA-N 2 1 400.592 3.514 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cccs1 ZINC000463972358 988085006 /nfs/dbraw/zinc/08/50/06/988085006.db2.gz VYWKAIUOSXLMSK-GPMSIDNRSA-N 2 1 406.621 3.795 20 0 HHADMP CC(C)[NH+](CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC000470469312 988457047 /nfs/dbraw/zinc/45/70/47/988457047.db2.gz ZTNKMRRTELJCPJ-NOTZXAQLSA-N 2 1 400.611 3.990 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000470721912 988747780 /nfs/dbraw/zinc/74/77/80/988747780.db2.gz DKPGWNBOOJNERT-DNQXCXABSA-N 2 1 408.590 3.904 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000470721914 988747863 /nfs/dbraw/zinc/74/78/63/988747863.db2.gz DKPGWNBOOJNERT-ZEQRLZLVSA-N 2 1 408.590 3.904 20 0 HHADMP CN(C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470737996 988773330 /nfs/dbraw/zinc/77/33/30/988773330.db2.gz RSBXVYPWAVAJSW-NHCUHLMSSA-N 2 1 400.592 3.657 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H](C[NH+](C)CC4CC4)C3)cc2)C1 ZINC000470738014 988774677 /nfs/dbraw/zinc/77/46/77/988774677.db2.gz RTUPOORHIKECDX-GBXCKJPGSA-N 2 1 412.622 3.792 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CC[C@H](C[N@H+](C)CC4CC4)C3)cc2)C1 ZINC000470738014 988774681 /nfs/dbraw/zinc/77/46/81/988774681.db2.gz RTUPOORHIKECDX-GBXCKJPGSA-N 2 1 412.622 3.792 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CC[C@H](C[N@@H+](C)CC4CC4)C3)cc2)C1 ZINC000470738014 988774692 /nfs/dbraw/zinc/77/46/92/988774692.db2.gz RTUPOORHIKECDX-GBXCKJPGSA-N 2 1 412.622 3.792 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000471041971 989119445 /nfs/dbraw/zinc/11/94/45/989119445.db2.gz FYJPVILYRQPOGG-CQSZACIVSA-N 2 1 400.336 3.581 20 0 HHADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000471041971 989119452 /nfs/dbraw/zinc/11/94/52/989119452.db2.gz FYJPVILYRQPOGG-CQSZACIVSA-N 2 1 400.336 3.581 20 0 HHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000471041971 989119457 /nfs/dbraw/zinc/11/94/57/989119457.db2.gz FYJPVILYRQPOGG-CQSZACIVSA-N 2 1 400.336 3.581 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](CCc2ccccc2Cl)CC1)Cc1ccccc1 ZINC000471238594 989383864 /nfs/dbraw/zinc/38/38/64/989383864.db2.gz VLGLOSGNYCVTHP-UHFFFAOYSA-N 2 1 413.993 3.843 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)C1 ZINC000465076502 989396270 /nfs/dbraw/zinc/39/62/70/989396270.db2.gz MVNYTNZXJDUTPQ-QHCPKHFHSA-N 2 1 400.611 3.518 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000465076502 989396274 /nfs/dbraw/zinc/39/62/74/989396274.db2.gz MVNYTNZXJDUTPQ-QHCPKHFHSA-N 2 1 400.611 3.518 20 0 HHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000465076502 989396283 /nfs/dbraw/zinc/39/62/83/989396283.db2.gz MVNYTNZXJDUTPQ-QHCPKHFHSA-N 2 1 400.611 3.518 20 0 HHADMP O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471507143 989705490 /nfs/dbraw/zinc/70/54/90/989705490.db2.gz WYRZAMPAUBCERX-QFIPXVFZSA-N 2 1 406.574 3.604 20 0 HHADMP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471530994 989730283 /nfs/dbraw/zinc/73/02/83/989730283.db2.gz ZSFNNHKXADWIPL-VWLOTQADSA-N 2 1 420.601 3.994 20 0 HHADMP COc1ccc([C@H](CNC(=O)NCCCCn2cc[nH+]c2C)[NH+]2CCCCC2)cc1 ZINC000465412447 989759468 /nfs/dbraw/zinc/75/94/68/989759468.db2.gz PNPHJWDDZANLNL-QFIPXVFZSA-N 2 1 413.566 3.507 20 0 HHADMP CC[C@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471564029 989764854 /nfs/dbraw/zinc/76/48/54/989764854.db2.gz RANRYZUIPFSCRX-GOTSBHOMSA-N 2 1 410.562 3.549 20 0 HHADMP CC[C@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471564029 989764857 /nfs/dbraw/zinc/76/48/57/989764857.db2.gz RANRYZUIPFSCRX-GOTSBHOMSA-N 2 1 410.562 3.549 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000465477591 989825046 /nfs/dbraw/zinc/82/50/46/989825046.db2.gz PAZHEDOUHRYCDA-SFTDATJTSA-N 2 1 407.002 3.849 20 0 HHADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000465523128 989876651 /nfs/dbraw/zinc/87/66/51/989876651.db2.gz KRZVYHQSYZAQNV-PMACEKPBSA-N 2 1 411.594 3.949 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000465523679 989876927 /nfs/dbraw/zinc/87/69/27/989876927.db2.gz LGHIIRGVSMOSBH-CTNGQTDRSA-N 2 1 400.592 3.514 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C)[NH+]1CCCC[C@@H]1C ZINC000465530014 989890069 /nfs/dbraw/zinc/89/00/69/989890069.db2.gz XYXNTLFRXBQKCP-QNWVGRARSA-N 2 1 400.611 3.803 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000465530014 989890078 /nfs/dbraw/zinc/89/00/78/989890078.db2.gz XYXNTLFRXBQKCP-QNWVGRARSA-N 2 1 400.611 3.803 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000465530014 989890086 /nfs/dbraw/zinc/89/00/86/989890086.db2.gz XYXNTLFRXBQKCP-QNWVGRARSA-N 2 1 400.611 3.803 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000465531585 989891018 /nfs/dbraw/zinc/89/10/18/989891018.db2.gz BFZPOTQSLCIXGD-QHCPKHFHSA-N 2 1 420.601 3.598 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000465531585 989891024 /nfs/dbraw/zinc/89/10/24/989891024.db2.gz BFZPOTQSLCIXGD-QHCPKHFHSA-N 2 1 420.601 3.598 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000465531585 989891031 /nfs/dbraw/zinc/89/10/31/989891031.db2.gz BFZPOTQSLCIXGD-QHCPKHFHSA-N 2 1 420.601 3.598 20 0 HHADMP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000465541243 989905106 /nfs/dbraw/zinc/90/51/06/989905106.db2.gz LZWFIYIOWYIPHY-YADHBBJMSA-N 2 1 416.610 3.564 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000465542390 989905822 /nfs/dbraw/zinc/90/58/22/989905822.db2.gz KCZSRKAQMLNYOD-RBBKRZOGSA-N 2 1 414.619 3.904 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000465542388 989905934 /nfs/dbraw/zinc/90/59/34/989905934.db2.gz KCZSRKAQMLNYOD-IRLDBZIGSA-N 2 1 414.619 3.904 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)CC[C@@H]3CCCC[NH+]3C)cc2)C1 ZINC000465555710 989919026 /nfs/dbraw/zinc/91/90/26/989919026.db2.gz YTUMEWAKMNNPCI-REWPJTCUSA-N 2 1 400.611 3.934 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N(C)CC[C@@H]3CCCC[N@@H+]3C)cc2)C1 ZINC000465555710 989919038 /nfs/dbraw/zinc/91/90/38/989919038.db2.gz YTUMEWAKMNNPCI-REWPJTCUSA-N 2 1 400.611 3.934 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N(C)CC[C@@H]3CCCC[N@H+]3C)cc2)C1 ZINC000465555710 989919046 /nfs/dbraw/zinc/91/90/46/989919046.db2.gz YTUMEWAKMNNPCI-REWPJTCUSA-N 2 1 400.611 3.934 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000471729380 989924783 /nfs/dbraw/zinc/92/47/83/989924783.db2.gz UQVJCABBBOOADP-KIFXHHALSA-N 2 1 406.574 3.643 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000471729380 989924788 /nfs/dbraw/zinc/92/47/88/989924788.db2.gz UQVJCABBBOOADP-KIFXHHALSA-N 2 1 406.574 3.643 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000471729380 989924792 /nfs/dbraw/zinc/92/47/92/989924792.db2.gz UQVJCABBBOOADP-KIFXHHALSA-N 2 1 406.574 3.643 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)C1 ZINC000465579938 989950596 /nfs/dbraw/zinc/95/05/96/989950596.db2.gz PRIWCIRJDAAZGJ-NFBKMPQASA-N 2 1 400.611 3.792 20 0 HHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000465579938 989950608 /nfs/dbraw/zinc/95/06/08/989950608.db2.gz PRIWCIRJDAAZGJ-NFBKMPQASA-N 2 1 400.611 3.792 20 0 HHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000465579938 989950615 /nfs/dbraw/zinc/95/06/15/989950615.db2.gz PRIWCIRJDAAZGJ-NFBKMPQASA-N 2 1 400.611 3.792 20 0 HHADMP CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000465596065 989976554 /nfs/dbraw/zinc/97/65/54/989976554.db2.gz JSNBSNFVQAAKDF-LEWJYISDSA-N 2 1 412.603 3.631 20 0 HHADMP CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000465596065 989976576 /nfs/dbraw/zinc/97/65/76/989976576.db2.gz JSNBSNFVQAAKDF-LEWJYISDSA-N 2 1 412.603 3.631 20 0 HHADMP CC[NH+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000465596065 989976591 /nfs/dbraw/zinc/97/65/91/989976591.db2.gz JSNBSNFVQAAKDF-LEWJYISDSA-N 2 1 412.603 3.631 20 0 HHADMP CC[NH+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000465596065 989976603 /nfs/dbraw/zinc/97/66/03/989976603.db2.gz JSNBSNFVQAAKDF-LEWJYISDSA-N 2 1 412.603 3.631 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)CC2)[nH+]c1 ZINC000465604273 989985536 /nfs/dbraw/zinc/98/55/36/989985536.db2.gz QELVYAPARKLWKX-UHFFFAOYSA-N 2 1 421.589 3.844 20 0 HHADMP C[N@@H+](CCCNC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000465617852 990003806 /nfs/dbraw/zinc/00/38/06/990003806.db2.gz DPLUOXJESIUMTF-IRLDBZIGSA-N 2 1 414.619 3.952 20 0 HHADMP C[NH+](CCCNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000465617852 990003820 /nfs/dbraw/zinc/00/38/20/990003820.db2.gz DPLUOXJESIUMTF-IRLDBZIGSA-N 2 1 414.619 3.952 20 0 HHADMP C[NH+](CCCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000465617852 990003830 /nfs/dbraw/zinc/00/38/30/990003830.db2.gz DPLUOXJESIUMTF-IRLDBZIGSA-N 2 1 414.619 3.952 20 0 HHADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000465623325 990008821 /nfs/dbraw/zinc/00/88/21/990008821.db2.gz FVEPEYRFWQQPHX-OAQYLSRUSA-N 2 1 407.002 3.820 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000465632449 990018687 /nfs/dbraw/zinc/01/86/87/990018687.db2.gz NUQFQCDREPOLJM-FPOVZHCZSA-N 2 1 400.592 3.692 20 0 HHADMP CC[NH+](CC)[C@H](C)CNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000471871010 990042760 /nfs/dbraw/zinc/04/27/60/990042760.db2.gz KOAPOUHDXPZUFA-OAHLLOKOSA-N 2 1 415.409 3.987 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000465713088 990098064 /nfs/dbraw/zinc/09/80/64/990098064.db2.gz BBRVDDVTAMUCNE-AYOQOUSVSA-N 2 1 414.516 3.870 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000465820546 990203464 /nfs/dbraw/zinc/20/34/64/990203464.db2.gz XWPIDDUSNUAZJM-XZOQPEGZSA-N 2 1 424.589 3.888 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000465824630 990208244 /nfs/dbraw/zinc/20/82/44/990208244.db2.gz ZXVRZLWRABWGIO-VWNXMTODSA-N 2 1 408.590 3.761 20 0 HHADMP CCn1nc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000472044477 990213053 /nfs/dbraw/zinc/21/30/53/990213053.db2.gz TWBNFENTGICAGF-UHFFFAOYSA-N 2 1 405.590 3.744 20 0 HHADMP CC(C)CC[NH+]1CCC(CNC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000472051820 990218359 /nfs/dbraw/zinc/21/83/59/990218359.db2.gz BIBSPPOHEJQZPB-PSWAGMNNSA-N 2 1 412.622 3.518 20 0 HHADMP C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[NH+](C)Cc1ccccc1 ZINC000465876945 990992684 /nfs/dbraw/zinc/99/26/84/990992684.db2.gz MKYLQSAOZDBVGB-UZKOGDIHSA-N 2 1 414.619 3.951 20 0 HHADMP C[C@H](CNC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1)[N@H+](C)Cc1ccccc1 ZINC000465876945 990992693 /nfs/dbraw/zinc/99/26/93/990992693.db2.gz MKYLQSAOZDBVGB-UZKOGDIHSA-N 2 1 414.619 3.951 20 0 HHADMP C[C@H](CNC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1)[N@@H+](C)Cc1ccccc1 ZINC000465876945 990992706 /nfs/dbraw/zinc/99/27/06/990992706.db2.gz MKYLQSAOZDBVGB-UZKOGDIHSA-N 2 1 414.619 3.951 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000465907279 991037000 /nfs/dbraw/zinc/03/70/00/991037000.db2.gz ILEUQCBDWLIGSE-HXUWFJFHSA-N 2 1 421.029 3.925 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000466054390 991225898 /nfs/dbraw/zinc/22/58/98/991225898.db2.gz WSTFWYIRUIKWQM-WBVHZDCISA-N 2 1 415.409 3.939 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000466199558 991396732 /nfs/dbraw/zinc/39/67/32/991396732.db2.gz FDTYNGBGHCYSLR-NTKDMRAZSA-N 2 1 424.564 3.752 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000466289119 991537984 /nfs/dbraw/zinc/53/79/84/991537984.db2.gz TXKKXEFOMWEQMS-AGILITTLSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000466289119 991537995 /nfs/dbraw/zinc/53/79/95/991537995.db2.gz TXKKXEFOMWEQMS-AGILITTLSA-N 2 1 412.622 3.945 20 0 HHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000466289119 991538005 /nfs/dbraw/zinc/53/80/05/991538005.db2.gz TXKKXEFOMWEQMS-AGILITTLSA-N 2 1 412.622 3.945 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000466291960 991541715 /nfs/dbraw/zinc/54/17/15/991541715.db2.gz WQTQVYLTGJWRPR-DNQXCXABSA-N 2 1 412.622 3.805 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466291960 991541725 /nfs/dbraw/zinc/54/17/25/991541725.db2.gz WQTQVYLTGJWRPR-DNQXCXABSA-N 2 1 412.622 3.805 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466291960 991541736 /nfs/dbraw/zinc/54/17/36/991541736.db2.gz WQTQVYLTGJWRPR-DNQXCXABSA-N 2 1 412.622 3.805 20 0 HHADMP O=C(N1CC[C@H](n2c[nH+]c3c2CCCC3)C1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000466340046 991596648 /nfs/dbraw/zinc/59/66/48/991596648.db2.gz NXPQMOFUSNDYMN-TVZXLZGTSA-N 2 1 418.585 3.838 20 0 HHADMP O=C(N1CC[C@H](n2c[nH+]c3c2CCCC3)C1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000466340046 991596654 /nfs/dbraw/zinc/59/66/54/991596654.db2.gz NXPQMOFUSNDYMN-TVZXLZGTSA-N 2 1 418.585 3.838 20 0 HHADMP C[C@H]1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[N@H+]1Cc1ccccc1 ZINC000466400990 991694652 /nfs/dbraw/zinc/69/46/52/991694652.db2.gz XOUCBBYPDNSRMM-RDPSFJRHSA-N 2 1 406.574 3.745 20 0 HHADMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)CC1 ZINC000466730961 992040816 /nfs/dbraw/zinc/04/08/16/992040816.db2.gz JKFGXNXIWBODBA-MOPGFXCFSA-N 2 1 415.578 3.821 20 0 HHADMP C[C@@H](NC(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000466796707 992103161 /nfs/dbraw/zinc/10/31/61/992103161.db2.gz RFBAWUKNMMPOAO-YKSBVNFPSA-N 2 1 408.590 3.501 20 0 HHADMP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466934494 992245594 /nfs/dbraw/zinc/24/55/94/992245594.db2.gz PJJGVQWAMBBVKG-MRXNPFEDSA-N 2 1 413.484 3.609 20 0 HHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)CC1 ZINC000467167691 992486575 /nfs/dbraw/zinc/48/65/75/992486575.db2.gz DRKBWNHBKZAYQD-UHFFFAOYSA-N 2 1 414.569 3.823 20 0 HHADMP COCC[C@H]1CCCC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000467266013 992588277 /nfs/dbraw/zinc/58/82/77/992588277.db2.gz LTRBFPLGXLRYIP-DENIHFKCSA-N 2 1 422.013 3.732 20 0 HHADMP COCC[C@H]1CCCC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000467266013 992588290 /nfs/dbraw/zinc/58/82/90/992588290.db2.gz LTRBFPLGXLRYIP-DENIHFKCSA-N 2 1 422.013 3.732 20 0 HHADMP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000467360468 992679026 /nfs/dbraw/zinc/67/90/26/992679026.db2.gz XZSXSBVORMGCSS-GOTSBHOMSA-N 2 1 406.574 3.594 20 0 HHADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1ccc([C@H](C)N3CCOCC3)cc1)CC2 ZINC000467695371 992951993 /nfs/dbraw/zinc/95/19/93/992951993.db2.gz QXKLKWDWDHPDMQ-BWAGFHJFSA-N 2 1 400.567 3.559 20 0 HHADMP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1ccc([C@H](C)[NH+]3CCOCC3)cc1)CC2 ZINC000467695371 992952001 /nfs/dbraw/zinc/95/20/01/992952001.db2.gz QXKLKWDWDHPDMQ-BWAGFHJFSA-N 2 1 400.567 3.559 20 0 HHADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1ccc([C@H](C)[NH+]3CCOCC3)cc1)CC2 ZINC000467695371 992952010 /nfs/dbraw/zinc/95/20/10/992952010.db2.gz QXKLKWDWDHPDMQ-BWAGFHJFSA-N 2 1 400.567 3.559 20 0 HHADMP C[NH+](C)Cc1cc(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)ccc1Cl ZINC000467757024 993001793 /nfs/dbraw/zinc/00/17/93/993001793.db2.gz CEVAVUQOHPUNHD-UHFFFAOYSA-N 2 1 400.954 3.552 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1cccc2c1OCCC2 ZINC000467780419 993018671 /nfs/dbraw/zinc/01/86/71/993018671.db2.gz PTWZPFJRLFRJPH-UHFFFAOYSA-N 2 1 414.594 3.672 20 0 HHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467842955 993074938 /nfs/dbraw/zinc/07/49/38/993074938.db2.gz FYPNTAOVVUYKGT-ZWKOTPCHSA-N 2 1 421.632 3.561 20 0 HHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467842955 993074949 /nfs/dbraw/zinc/07/49/49/993074949.db2.gz FYPNTAOVVUYKGT-ZWKOTPCHSA-N 2 1 421.632 3.561 20 0 HHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000472265895 993289264 /nfs/dbraw/zinc/28/92/64/993289264.db2.gz PAXUJOKFGWVFRP-HNNXBMFYSA-N 2 1 402.366 3.755 20 0 HHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000472281590 993300627 /nfs/dbraw/zinc/30/06/27/993300627.db2.gz UMLIGCCZUOOCNM-KRWDZBQOSA-N 2 1 412.456 3.688 20 0 HHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000472281590 993300632 /nfs/dbraw/zinc/30/06/32/993300632.db2.gz UMLIGCCZUOOCNM-KRWDZBQOSA-N 2 1 412.456 3.688 20 0 HHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000472313977 993325240 /nfs/dbraw/zinc/32/52/40/993325240.db2.gz LEOXRJMTPRVQES-RPWUZVMVSA-N 2 1 412.622 3.662 20 0 HHADMP CCN(C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472386999 993382521 /nfs/dbraw/zinc/38/25/21/993382521.db2.gz XKWFYEAFDDNVSO-DQEYMECFSA-N 2 1 420.601 3.815 20 0 HHADMP CCN(C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472386999 993382528 /nfs/dbraw/zinc/38/25/28/993382528.db2.gz XKWFYEAFDDNVSO-DQEYMECFSA-N 2 1 420.601 3.815 20 0 HHADMP CCN(C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472386999 993382535 /nfs/dbraw/zinc/38/25/35/993382535.db2.gz XKWFYEAFDDNVSO-DQEYMECFSA-N 2 1 420.601 3.815 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000480757914 993623776 /nfs/dbraw/zinc/62/37/76/993623776.db2.gz REMDZNYMRAMQOA-SFHVURJKSA-N 2 1 403.592 3.628 20 0 HHADMP Ic1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCCO2 ZINC000480759848 993625006 /nfs/dbraw/zinc/62/50/06/993625006.db2.gz PSSWREHEYICWLZ-DYVFJYSZSA-N 2 1 412.315 3.579 20 0 HHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000480783059 993650696 /nfs/dbraw/zinc/65/06/96/993650696.db2.gz YJEOKFGLVDHRAB-NVQXNPDNSA-N 2 1 417.601 3.961 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)[C@@H](C)C1 ZINC000480904694 993761585 /nfs/dbraw/zinc/76/15/85/993761585.db2.gz YITSPHCBWNHDQD-UGKGYDQZSA-N 2 1 410.562 3.561 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)[C@@H](C)C1 ZINC000480904694 993761594 /nfs/dbraw/zinc/76/15/94/993761594.db2.gz YITSPHCBWNHDQD-UGKGYDQZSA-N 2 1 410.562 3.561 20 0 HHADMP CCCOc1ccc(CNC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481168241 993999179 /nfs/dbraw/zinc/99/91/79/993999179.db2.gz DDIKDMUIGWQYEZ-YKSBVNFPSA-N 2 1 409.574 3.592 20 0 HHADMP CCCOc1ccc(CNC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481168241 993999193 /nfs/dbraw/zinc/99/91/93/993999193.db2.gz DDIKDMUIGWQYEZ-YKSBVNFPSA-N 2 1 409.574 3.592 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000481168566 993999237 /nfs/dbraw/zinc/99/92/37/993999237.db2.gz MOBLXNJEJZPAGY-APWZRJJASA-N 2 1 405.995 3.860 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000481168566 993999245 /nfs/dbraw/zinc/99/92/45/993999245.db2.gz MOBLXNJEJZPAGY-APWZRJJASA-N 2 1 405.995 3.860 20 0 HHADMP CC(C[NH+]1CC[C@]2(C1)OCc1ccccc12)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473155664 994027130 /nfs/dbraw/zinc/02/71/30/994027130.db2.gz AONGFJGVCLWXFC-CLJLJLNGSA-N 2 1 404.554 3.885 20 0 HHADMP CC(C[NH+]1CC[C@]2(C1)OCc1ccccc12)C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473155664 994027143 /nfs/dbraw/zinc/02/71/43/994027143.db2.gz AONGFJGVCLWXFC-CLJLJLNGSA-N 2 1 404.554 3.885 20 0 HHADMP C(=C\C[N@H+]1CC[C@]2(C1)OCc1ccccc12)\C[NH+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473157794 994028983 /nfs/dbraw/zinc/02/89/83/994028983.db2.gz GLAGBFCIXIEDBZ-VRUTXKRASA-N 2 1 402.538 3.805 20 0 HHADMP CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)c2C1 ZINC000473281368 994130460 /nfs/dbraw/zinc/13/04/60/994130460.db2.gz FLPZQDZANCCWNR-LJQANCHMSA-N 2 1 416.610 3.610 20 0 HHADMP CC[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000473369651 994230331 /nfs/dbraw/zinc/23/03/31/994230331.db2.gz DPFWHXVUDNORLR-DQEYMECFSA-N 2 1 421.585 3.692 20 0 HHADMP CC[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000473369651 994230343 /nfs/dbraw/zinc/23/03/43/994230343.db2.gz DPFWHXVUDNORLR-DQEYMECFSA-N 2 1 421.585 3.692 20 0 HHADMP Cc1noc(-c2ccccc2)c1NC(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000481479525 994313296 /nfs/dbraw/zinc/31/32/96/994313296.db2.gz LFKJNQZWCPUOSE-UHFFFAOYSA-N 2 1 411.550 3.722 20 0 HHADMP O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000473517083 994370743 /nfs/dbraw/zinc/37/07/43/994370743.db2.gz GVFUEKJSYTWPOS-CBNMVNINSA-N 2 1 423.523 3.963 20 0 HHADMP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1NC(C)=O ZINC000481551814 994385017 /nfs/dbraw/zinc/38/50/17/994385017.db2.gz JPXSQAOVTDRGKZ-ROUUACIJSA-N 2 1 411.546 3.725 20 0 HHADMP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1NC(C)=O ZINC000481551814 994385025 /nfs/dbraw/zinc/38/50/25/994385025.db2.gz JPXSQAOVTDRGKZ-ROUUACIJSA-N 2 1 411.546 3.725 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)c2)CC1 ZINC000473820037 994748554 /nfs/dbraw/zinc/74/85/54/994748554.db2.gz IKQZPDDEBWNKGC-UXHICEINSA-N 2 1 413.610 3.603 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)c2)CC1 ZINC000473820038 994748690 /nfs/dbraw/zinc/74/86/90/994748690.db2.gz IKQZPDDEBWNKGC-VQTJNVASSA-N 2 1 413.610 3.603 20 0 HHADMP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)cc21 ZINC000473869897 994810390 /nfs/dbraw/zinc/81/03/90/994810390.db2.gz AEDDSSKLARHUAA-JOCHJYFZSA-N 2 1 408.521 3.945 20 0 HHADMP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccc(F)cc3)cc21 ZINC000473869897 994810398 /nfs/dbraw/zinc/81/03/98/994810398.db2.gz AEDDSSKLARHUAA-JOCHJYFZSA-N 2 1 408.521 3.945 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N(C)CC[NH+](C)C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474014416 995005077 /nfs/dbraw/zinc/00/50/77/995005077.db2.gz WCEVUMRBPKBTLN-WOJBJXKFSA-N 2 1 410.965 3.739 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N(C)CC[NH+](C)C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474014416 995005082 /nfs/dbraw/zinc/00/50/82/995005082.db2.gz WCEVUMRBPKBTLN-WOJBJXKFSA-N 2 1 410.965 3.739 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474014416 995005087 /nfs/dbraw/zinc/00/50/87/995005087.db2.gz WCEVUMRBPKBTLN-WOJBJXKFSA-N 2 1 410.965 3.739 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474014416 995005092 /nfs/dbraw/zinc/00/50/92/995005092.db2.gz WCEVUMRBPKBTLN-WOJBJXKFSA-N 2 1 410.965 3.739 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)c3ccncc3)cc2)[C@H](C)C1 ZINC000482124482 995073157 /nfs/dbraw/zinc/07/31/57/995073157.db2.gz YRNKSDRPOSJHSW-AUSIDOKSSA-N 2 1 410.562 3.561 20 0 HHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000482134352 995084325 /nfs/dbraw/zinc/08/43/25/995084325.db2.gz LOJLPGKCECOANF-QZTJIDSGSA-N 2 1 421.632 3.561 20 0 HHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000482134352 995084336 /nfs/dbraw/zinc/08/43/36/995084336.db2.gz LOJLPGKCECOANF-QZTJIDSGSA-N 2 1 421.632 3.561 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N[C@H](C)c2cccc3ccccc32)[C@H](C)C1 ZINC000482141079 995091334 /nfs/dbraw/zinc/09/13/34/995091334.db2.gz XYUQFPXTLRDBMT-REHUZNOOSA-N 2 1 411.590 3.744 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N[C@H](C)c2cccc3ccccc32)[C@H](C)C1 ZINC000482141079 995091344 /nfs/dbraw/zinc/09/13/44/995091344.db2.gz XYUQFPXTLRDBMT-REHUZNOOSA-N 2 1 411.590 3.744 20 0 HHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000482158090 995113704 /nfs/dbraw/zinc/11/37/04/995113704.db2.gz RFXOMUNQRBTIJW-TUNNFDKTSA-N 2 1 414.619 3.839 20 0 HHADMP CC(C)(C)[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000482267069 995245156 /nfs/dbraw/zinc/24/51/56/995245156.db2.gz HXFXKVIDOJILKK-GMAHTHKFSA-N 2 1 412.622 3.945 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)c(C)c2)CC1 ZINC000474345771 995325946 /nfs/dbraw/zinc/32/59/46/995325946.db2.gz OIJSMGCJUAONLX-XMMPIXPASA-N 2 1 424.564 3.879 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccc(F)cc3)c(C)c2)CC1 ZINC000474345771 995325954 /nfs/dbraw/zinc/32/59/54/995325954.db2.gz OIJSMGCJUAONLX-XMMPIXPASA-N 2 1 424.564 3.879 20 0 HHADMP COc1ccc2nc(C[NH2+]CCCN3CC[N@@H+](C)C[C@H]3c3ccccc3)sc2c1 ZINC000474367596 995347632 /nfs/dbraw/zinc/34/76/32/995347632.db2.gz FGYSYUUNPIOFQX-NRFANRHFSA-N 2 1 410.587 3.773 20 0 HHADMP Cc1c([C@H](C)[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)nnn1-c1ccc(F)cc1 ZINC000482460164 995464192 /nfs/dbraw/zinc/46/41/92/995464192.db2.gz POJNWJUDBQBGDU-KRWDZBQOSA-N 2 1 411.525 3.896 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000474527382 995492952 /nfs/dbraw/zinc/49/29/52/995492952.db2.gz XIMZWMIXPYFMHZ-VIZSFHNOSA-N 2 1 412.622 3.516 20 0 HHADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000482531378 995540364 /nfs/dbraw/zinc/54/03/64/995540364.db2.gz PYMBABHAAZIMIA-GOTSBHOMSA-N 2 1 410.606 3.696 20 0 HHADMP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000482544388 995552939 /nfs/dbraw/zinc/55/29/39/995552939.db2.gz RWLSFMVNSHUDMT-LPHOPBHVSA-N 2 1 400.592 3.665 20 0 HHADMP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCC3)cc1 ZINC000482550386 995558199 /nfs/dbraw/zinc/55/81/99/995558199.db2.gz QGWWYLVDJSKVDX-MOPGFXCFSA-N 2 1 412.603 3.673 20 0 HHADMP Cc1c([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)nnn1-c1ccc(F)cc1 ZINC000482555491 995562534 /nfs/dbraw/zinc/56/25/34/995562534.db2.gz MBEMLVCLUFLKOA-KRWDZBQOSA-N 2 1 423.536 3.522 20 0 HHADMP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)CCC3)cc1 ZINC000482566616 995571476 /nfs/dbraw/zinc/57/14/76/995571476.db2.gz NRSSKKMYLJNFQN-FQEVSTJZSA-N 2 1 414.619 3.813 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000482584436 995586507 /nfs/dbraw/zinc/58/65/07/995586507.db2.gz WGDFLWAVUZXJIK-RPWUZVMVSA-N 2 1 412.622 3.805 20 0 HHADMP COC1CC[NH+](C2(C[NH2+]C3CCC4(CC3)c3ccccc3NC4=O)CCCC2)CC1 ZINC000482627728 995622834 /nfs/dbraw/zinc/62/28/34/995622834.db2.gz HSCBJDYPDMSUEV-UHFFFAOYSA-N 2 1 411.590 3.832 20 0 HHADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482633331 995627353 /nfs/dbraw/zinc/62/73/53/995627353.db2.gz QHTHYRFSUVYDTR-ISKFKSNPSA-N 2 1 411.565 3.880 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CC4(CCC4)Oc4ccccc43)c2)C1 ZINC000482636707 995631256 /nfs/dbraw/zinc/63/12/56/995631256.db2.gz WPFFCURTADBJSQ-JTHBVZDNSA-N 2 1 419.569 3.920 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cnc2ccsc2c1 ZINC000482636316 995631329 /nfs/dbraw/zinc/63/13/29/995631329.db2.gz VTZTWMMASDBBBR-QFBILLFUSA-N 2 1 408.571 3.844 20 0 HHADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000482644425 995639359 /nfs/dbraw/zinc/63/93/59/995639359.db2.gz VBSJYGCCJWREHK-JTHBVZDNSA-N 2 1 407.558 3.696 20 0 HHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cccc(N4CCCC4=O)c3)CC2)oc1C ZINC000482870839 995806180 /nfs/dbraw/zinc/80/61/80/995806180.db2.gz QBMKKGMIHPOEGF-SFHVURJKSA-N 2 1 410.562 3.981 20 0 HHADMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000482884424 995816479 /nfs/dbraw/zinc/81/64/79/995816479.db2.gz DXQJSKMBVCYBTD-HXUWFJFHSA-N 2 1 409.574 3.859 20 0 HHADMP CN(C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475130707 995941568 /nfs/dbraw/zinc/94/15/68/995941568.db2.gz QPDSBHJPKBVCEM-RPWUZVMVSA-N 2 1 406.574 3.739 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000475138298 995947355 /nfs/dbraw/zinc/94/73/55/995947355.db2.gz UWVPYBFKTGLGRF-AREMUKBSSA-N 2 1 420.601 3.946 20 0 HHADMP CCN(C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475175426 995972588 /nfs/dbraw/zinc/97/25/88/995972588.db2.gz XYBBPTXNTBINFA-SFTDATJTSA-N 2 1 400.592 3.657 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)CC1 ZINC000483139217 995998143 /nfs/dbraw/zinc/99/81/43/995998143.db2.gz XGHJKNPOJHYBFP-ZWKOTPCHSA-N 2 1 401.576 3.934 20 0 HHADMP Cc1ccc(NCCCNC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)[nH+]c1 ZINC000475258267 996029310 /nfs/dbraw/zinc/02/93/10/996029310.db2.gz KNCJVFQLIWFCOZ-HXUWFJFHSA-N 2 1 401.599 3.878 20 0 HHADMP Cc1ccc(NCCCNC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)[nH+]c1 ZINC000475258267 996029312 /nfs/dbraw/zinc/02/93/12/996029312.db2.gz KNCJVFQLIWFCOZ-HXUWFJFHSA-N 2 1 401.599 3.878 20 0 HHADMP Brc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCCO2 ZINC000483200160 996033568 /nfs/dbraw/zinc/03/35/68/996033568.db2.gz NNBBVTNUOKCBGI-HNAYVOBHSA-N 2 1 409.368 3.753 20 0 HHADMP Brc1cccc2c1OCCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000483218442 996044035 /nfs/dbraw/zinc/04/40/35/996044035.db2.gz ZNTMUFGPYMWHHT-HNAYVOBHSA-N 2 1 409.368 3.753 20 0 HHADMP C[C@H](NC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000483238316 996053974 /nfs/dbraw/zinc/05/39/74/996053974.db2.gz WQKMZAOXKJPFAZ-KWOQKUFVSA-N 2 1 412.622 3.849 20 0 HHADMP C[C@H](NC(=O)NC[C@@H](C1CC1)[NH+](C)Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000483238316 996053976 /nfs/dbraw/zinc/05/39/76/996053976.db2.gz WQKMZAOXKJPFAZ-KWOQKUFVSA-N 2 1 412.622 3.849 20 0 HHADMP C[C@H](NC(=O)NC[C@@H](C1CC1)[NH+](C)Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000483238316 996053982 /nfs/dbraw/zinc/05/39/82/996053982.db2.gz WQKMZAOXKJPFAZ-KWOQKUFVSA-N 2 1 412.622 3.849 20 0 HHADMP CC(C)[N@H+]1CCc2nc(CNC3CC([NH+]4CCC(C(F)(F)F)CC4)C3)sc2C1 ZINC000475351175 996084237 /nfs/dbraw/zinc/08/42/37/996084237.db2.gz KYDMWNLMCOYXQD-UHFFFAOYSA-N 2 1 416.557 3.805 20 0 HHADMP CS[C@H]1CN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C[C@H]1[NH+]1CCCC1 ZINC000483387983 996144833 /nfs/dbraw/zinc/14/48/33/996144833.db2.gz CTKMPEZWGCKMDR-RPWUZVMVSA-N 2 1 423.626 3.970 20 0 HHADMP CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000483409617 996159823 /nfs/dbraw/zinc/15/98/23/996159823.db2.gz ULFNQXYRRXRIIB-INIZCTEOSA-N 2 1 411.512 3.701 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCCCc1ccccc1F ZINC000475484497 996170043 /nfs/dbraw/zinc/17/00/43/996170043.db2.gz HELMABAQJVJIRE-UHFFFAOYSA-N 2 1 418.601 3.596 20 0 HHADMP C[N@H+]1CCC[C@@H]2CN(CC(=O)N(CCc3ccccc3)Cc3ccccc3)CC[C@H]21 ZINC000483470818 996201111 /nfs/dbraw/zinc/20/11/11/996201111.db2.gz HEQWYXXKXMWSMR-JWQCQUIFSA-N 2 1 405.586 3.674 20 0 HHADMP O[C@H](COCc1ccccc1F)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483484263 996210959 /nfs/dbraw/zinc/21/09/59/996210959.db2.gz IZQHNRFOFAAMBS-RSEQLOHWSA-N 2 1 412.549 3.690 20 0 HHADMP O[C@H](COCc1ccccc1F)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483484263 996210965 /nfs/dbraw/zinc/21/09/65/996210965.db2.gz IZQHNRFOFAAMBS-RSEQLOHWSA-N 2 1 412.549 3.690 20 0 HHADMP O[C@H](COCc1ccccc1F)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483484263 996210971 /nfs/dbraw/zinc/21/09/71/996210971.db2.gz IZQHNRFOFAAMBS-RSEQLOHWSA-N 2 1 412.549 3.690 20 0 HHADMP O[C@H](COCc1ccccc1F)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483484263 996210977 /nfs/dbraw/zinc/21/09/77/996210977.db2.gz IZQHNRFOFAAMBS-RSEQLOHWSA-N 2 1 412.549 3.690 20 0 HHADMP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)CC[C@@H]21 ZINC000483503272 996222055 /nfs/dbraw/zinc/22/20/55/996222055.db2.gz LUWSWFYFADTUNN-XLIONFOSSA-N 2 1 409.496 3.613 20 0 HHADMP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)CC[C@@H]21 ZINC000483503272 996222058 /nfs/dbraw/zinc/22/20/58/996222058.db2.gz LUWSWFYFADTUNN-XLIONFOSSA-N 2 1 409.496 3.613 20 0 HHADMP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)CC[C@@H]21 ZINC000483503272 996222062 /nfs/dbraw/zinc/22/20/62/996222062.db2.gz LUWSWFYFADTUNN-XLIONFOSSA-N 2 1 409.496 3.613 20 0 HHADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)CC[C@@H]21 ZINC000483503272 996222065 /nfs/dbraw/zinc/22/20/65/996222065.db2.gz LUWSWFYFADTUNN-XLIONFOSSA-N 2 1 409.496 3.613 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1 ZINC000483660370 996314050 /nfs/dbraw/zinc/31/40/50/996314050.db2.gz JXYHTCIVJDRYMP-UHFFFAOYSA-N 2 1 418.651 3.689 20 0 HHADMP COc1cccc(COC[C@@H](O)C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475736927 996335729 /nfs/dbraw/zinc/33/57/29/996335729.db2.gz XYYUOGGBNRBXBD-AZGAKELHSA-N 2 1 424.585 3.561 20 0 HHADMP COc1cccc(COC[C@@H](O)C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000475736927 996335741 /nfs/dbraw/zinc/33/57/41/996335741.db2.gz XYYUOGGBNRBXBD-AZGAKELHSA-N 2 1 424.585 3.561 20 0 HHADMP COc1cccc(COC[C@@H](O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000475736927 996335749 /nfs/dbraw/zinc/33/57/49/996335749.db2.gz XYYUOGGBNRBXBD-AZGAKELHSA-N 2 1 424.585 3.561 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC000483711354 996343426 /nfs/dbraw/zinc/34/34/26/996343426.db2.gz NOUKQDYMCJUKKT-VIZSFHNOSA-N 2 1 400.611 3.933 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC000483711354 996343428 /nfs/dbraw/zinc/34/34/28/996343428.db2.gz NOUKQDYMCJUKKT-VIZSFHNOSA-N 2 1 400.611 3.933 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC000483711354 996343434 /nfs/dbraw/zinc/34/34/34/996343434.db2.gz NOUKQDYMCJUKKT-VIZSFHNOSA-N 2 1 400.611 3.933 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@@H]1c1cccs1 ZINC000483801208 996396403 /nfs/dbraw/zinc/39/64/03/996396403.db2.gz DRVNICZJLLMURP-DYESRHJHSA-N 2 1 404.624 3.837 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000483834082 996416484 /nfs/dbraw/zinc/41/64/84/996416484.db2.gz ZFRUQYVBQKOZGU-FQEVSTJZSA-N 2 1 410.672 3.692 20 0 HHADMP CCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000483878671 996444223 /nfs/dbraw/zinc/44/42/23/996444223.db2.gz WZVWCUVORPCBAL-LEWJYISDSA-N 2 1 408.537 3.662 20 0 HHADMP CCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000483878671 996444224 /nfs/dbraw/zinc/44/42/24/996444224.db2.gz WZVWCUVORPCBAL-LEWJYISDSA-N 2 1 408.537 3.662 20 0 HHADMP O[C@]1(C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000484130123 996587160 /nfs/dbraw/zinc/58/71/60/996587160.db2.gz DPLCIBLRSJJGJZ-SFTDATJTSA-N 2 1 406.448 3.799 20 0 HHADMP O[C@]1(C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000484130123 996587163 /nfs/dbraw/zinc/58/71/63/996587163.db2.gz DPLCIBLRSJJGJZ-SFTDATJTSA-N 2 1 406.448 3.799 20 0 HHADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000484172875 996616458 /nfs/dbraw/zinc/61/64/58/996616458.db2.gz WUCVPWHBMKMZBN-YADARESESA-N 2 1 410.562 3.504 20 0 HHADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000484172875 996616463 /nfs/dbraw/zinc/61/64/63/996616463.db2.gz WUCVPWHBMKMZBN-YADARESESA-N 2 1 410.562 3.504 20 0 HHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C[C@H]1C ZINC000485016568 997381581 /nfs/dbraw/zinc/38/15/81/997381581.db2.gz KNAWDDVSJRMYEZ-WIYYLYMNSA-N 2 1 404.624 3.614 20 0 HHADMP COc1ccccc1COC[C@H](O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476981921 997602832 /nfs/dbraw/zinc/60/28/32/997602832.db2.gz IUEDKVGNCVNKRF-NFBKMPQASA-N 2 1 404.595 3.549 20 0 HHADMP COc1ccc([C@@H](CNC(=O)C[N@H+]2CC[C@H](c3ccccc3)C2)[NH+]2CCCCC2)cc1 ZINC000477218152 997891542 /nfs/dbraw/zinc/89/15/42/997891542.db2.gz FXNVLSMUNWVVQS-UKILVPOCSA-N 2 1 421.585 3.828 20 0 HHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000477314945 998002955 /nfs/dbraw/zinc/00/29/55/998002955.db2.gz FLHWTPBAUHCWSA-CWAQXLGLSA-N 2 1 410.606 3.699 20 0 HHADMP Cc1cc(C)c2c(c1)C[N@H+]([C@H](C)C(=O)NC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000485856772 998318505 /nfs/dbraw/zinc/31/85/05/998318505.db2.gz HGNFJKCMSGGNPB-OAQYLSRUSA-N 2 1 405.586 3.831 20 0 HHADMP Cc1cc(C)c2c(c1)C[N@@H+]([C@H](C)C(=O)NC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000485856772 998318517 /nfs/dbraw/zinc/31/85/17/998318517.db2.gz HGNFJKCMSGGNPB-OAQYLSRUSA-N 2 1 405.586 3.831 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1ccc(C(F)(F)F)cc1 ZINC000485965947 998406481 /nfs/dbraw/zinc/40/64/81/998406481.db2.gz IIXFJYRMWRPNPJ-QZTJIDSGSA-N 2 1 417.541 3.642 20 0 HHADMP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000477910432 998650671 /nfs/dbraw/zinc/65/06/71/998650671.db2.gz GLSDGYSMRZRWAG-SFHVURJKSA-N 2 1 419.591 3.531 20 0 HHADMP OC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)Cc1ccc(F)c(F)c1 ZINC000477941259 998670846 /nfs/dbraw/zinc/67/08/46/998670846.db2.gz RYUAGEBRTXEKTE-FBHSLPMESA-N 2 1 400.513 3.616 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000486272109 998689536 /nfs/dbraw/zinc/68/95/36/998689536.db2.gz AYIVHSXHBJDCPJ-FGZHOGPDSA-N 2 1 420.548 3.662 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000486272109 998689538 /nfs/dbraw/zinc/68/95/38/998689538.db2.gz AYIVHSXHBJDCPJ-FGZHOGPDSA-N 2 1 420.548 3.662 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cccs1 ZINC000478031565 998723965 /nfs/dbraw/zinc/72/39/65/998723965.db2.gz VFOXQDKYZXCQKS-VQTJNVASSA-N 2 1 400.592 3.561 20 0 HHADMP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC000478033846 998725485 /nfs/dbraw/zinc/72/54/85/998725485.db2.gz CZVPKGLEOADVKT-RTBURBONSA-N 2 1 414.594 3.949 20 0 HHADMP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000478033846 998725486 /nfs/dbraw/zinc/72/54/86/998725486.db2.gz CZVPKGLEOADVKT-RTBURBONSA-N 2 1 414.594 3.949 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000487159277 999084325 /nfs/dbraw/zinc/08/43/25/999084325.db2.gz NOHGXQPMXXOLBV-YADHBBJMSA-N 2 1 401.501 3.980 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000487159277 999084330 /nfs/dbraw/zinc/08/43/30/999084330.db2.gz NOHGXQPMXXOLBV-YADHBBJMSA-N 2 1 401.501 3.980 20 0 HHADMP Cc1cnccc1OC1CCN(C(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000487282101 999123358 /nfs/dbraw/zinc/12/33/58/999123358.db2.gz OGOMKEYXRGJHGC-BGYRXZFFSA-N 2 1 423.557 3.683 20 0 HHADMP CCOc1c(Cl)cccc1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000487325143 999136136 /nfs/dbraw/zinc/13/61/36/999136136.db2.gz QQIJDMHOXDQCFU-HXUWFJFHSA-N 2 1 415.965 3.726 20 0 HHADMP CCOc1c(Cl)cccc1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000487325143 999136137 /nfs/dbraw/zinc/13/61/37/999136137.db2.gz QQIJDMHOXDQCFU-HXUWFJFHSA-N 2 1 415.965 3.726 20 0 HHADMP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000478791383 999142693 /nfs/dbraw/zinc/14/26/93/999142693.db2.gz DJGSAJDEQWJWAT-NFBKMPQASA-N 2 1 424.589 3.604 20 0 HHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000479049641 999267204 /nfs/dbraw/zinc/26/72/04/999267204.db2.gz BDEGVPUQHRZMRE-IBGZPJMESA-N 2 1 422.411 3.704 20 0 HHADMP CC(C)(CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000479073366 999281012 /nfs/dbraw/zinc/28/10/12/999281012.db2.gz XUFUTZMPOHJVQL-GOTSBHOMSA-N 2 1 412.622 3.805 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000487814061 999299224 /nfs/dbraw/zinc/29/92/24/999299224.db2.gz FORUAEQYNUEVDQ-RYGJVYDSSA-N 2 1 410.553 3.764 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000487814061 999299231 /nfs/dbraw/zinc/29/92/31/999299231.db2.gz FORUAEQYNUEVDQ-RYGJVYDSSA-N 2 1 410.553 3.764 20 0 HHADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000487881071 999303280 /nfs/dbraw/zinc/30/32/80/999303280.db2.gz NPQRPBQPGIKRIV-ZPMCFJSWSA-N 2 1 422.564 3.766 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000487881071 999303285 /nfs/dbraw/zinc/30/32/85/999303285.db2.gz NPQRPBQPGIKRIV-ZPMCFJSWSA-N 2 1 422.564 3.766 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000487881071 999303291 /nfs/dbraw/zinc/30/32/91/999303291.db2.gz NPQRPBQPGIKRIV-ZPMCFJSWSA-N 2 1 422.564 3.766 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000487881071 999303295 /nfs/dbraw/zinc/30/32/95/999303295.db2.gz NPQRPBQPGIKRIV-ZPMCFJSWSA-N 2 1 422.564 3.766 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000487950303 999325824 /nfs/dbraw/zinc/32/58/24/999325824.db2.gz GWDPMGFPVFYVQW-NKIPYUMQSA-N 2 1 422.564 3.908 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000487950303 999325830 /nfs/dbraw/zinc/32/58/30/999325830.db2.gz GWDPMGFPVFYVQW-NKIPYUMQSA-N 2 1 422.564 3.908 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488014269 999348983 /nfs/dbraw/zinc/34/89/83/999348983.db2.gz MWMCDXODQBOYCT-ZMUKGBGYSA-N 2 1 406.574 3.642 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488014269 999348988 /nfs/dbraw/zinc/34/89/88/999348988.db2.gz MWMCDXODQBOYCT-ZMUKGBGYSA-N 2 1 406.574 3.642 20 0 HHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488014269 999348993 /nfs/dbraw/zinc/34/89/93/999348993.db2.gz MWMCDXODQBOYCT-ZMUKGBGYSA-N 2 1 406.574 3.642 20 0 HHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488077176 999368975 /nfs/dbraw/zinc/36/89/75/999368975.db2.gz RYABQTAEUFILMW-LGVFNWMJSA-N 2 1 408.590 3.717 20 0 HHADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488077176 999368979 /nfs/dbraw/zinc/36/89/79/999368979.db2.gz RYABQTAEUFILMW-LGVFNWMJSA-N 2 1 408.590 3.717 20 0 HHADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488077176 999368984 /nfs/dbraw/zinc/36/89/84/999368984.db2.gz RYABQTAEUFILMW-LGVFNWMJSA-N 2 1 408.590 3.717 20 0 HHADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1C(F)(F)F ZINC000479367598 999406581 /nfs/dbraw/zinc/40/65/81/999406581.db2.gz ZXJNQLMGLOHKMC-CJNGLKHVSA-N 2 1 409.290 3.965 20 0 HHADMP COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000479442557 999419579 /nfs/dbraw/zinc/41/95/79/999419579.db2.gz DEXDOIQXVDDYIG-DEOSSOPVSA-N 2 1 403.526 3.614 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@@H](C)C1 ZINC000479478535 999434939 /nfs/dbraw/zinc/43/49/39/999434939.db2.gz NKIZRSBLBKBERQ-CMTQZCSUSA-N 2 1 405.549 3.518 20 0 HHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)[C@@H](C)C1 ZINC000479478535 999434941 /nfs/dbraw/zinc/43/49/41/999434941.db2.gz NKIZRSBLBKBERQ-CMTQZCSUSA-N 2 1 405.549 3.518 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)[C@@H](C)C1 ZINC000479478535 999434942 /nfs/dbraw/zinc/43/49/42/999434942.db2.gz NKIZRSBLBKBERQ-CMTQZCSUSA-N 2 1 405.549 3.518 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000488478905 999501607 /nfs/dbraw/zinc/50/16/07/999501607.db2.gz NNVZXSAZVSDLPC-NTKDMRAZSA-N 2 1 400.526 3.888 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000488605767 999543924 /nfs/dbraw/zinc/54/39/24/999543924.db2.gz BUVKPKQTQLNMSB-VOQZNFBZSA-N 2 1 422.564 3.908 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000488605767 999543928 /nfs/dbraw/zinc/54/39/28/999543928.db2.gz BUVKPKQTQLNMSB-VOQZNFBZSA-N 2 1 422.564 3.908 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000488605767 999543931 /nfs/dbraw/zinc/54/39/31/999543931.db2.gz BUVKPKQTQLNMSB-VOQZNFBZSA-N 2 1 422.564 3.908 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000488605767 999543940 /nfs/dbraw/zinc/54/39/40/999543940.db2.gz BUVKPKQTQLNMSB-VOQZNFBZSA-N 2 1 422.564 3.908 20 0 HHADMP COc1cc2c(NCc3cccc(C[N@H+]4CCC[C@H](C(N)=O)C4)c3)cc[nH+]c2cc1F ZINC000479959036 999663465 /nfs/dbraw/zinc/66/34/65/999663465.db2.gz DOSILEPPYMUAAI-SFHVURJKSA-N 2 1 422.504 3.692 20 0 HHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000489236147 999728108 /nfs/dbraw/zinc/72/81/08/999728108.db2.gz RTUUTEVSLZPOOY-HSZRJFAPSA-N 2 1 400.611 3.947 20 0 HHADMP C[N@@H+](CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000489333073 999747348 /nfs/dbraw/zinc/74/73/48/999747348.db2.gz PXICZLVFBLCJEJ-RPBOFIJWSA-N 2 1 420.601 3.957 20 0 HHADMP C[NH+](CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000489333073 999747351 /nfs/dbraw/zinc/74/73/51/999747351.db2.gz PXICZLVFBLCJEJ-RPBOFIJWSA-N 2 1 420.601 3.957 20 0 HHADMP C[NH+](CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000489333073 999747353 /nfs/dbraw/zinc/74/73/53/999747353.db2.gz PXICZLVFBLCJEJ-RPBOFIJWSA-N 2 1 420.601 3.957 20 0 HHADMP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)c1 ZINC000480339100 999774917 /nfs/dbraw/zinc/77/49/17/999774917.db2.gz VSYICZKQBLOWJE-GOSISDBHSA-N 2 1 423.376 3.519 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000489530365 999785570 /nfs/dbraw/zinc/78/55/70/999785570.db2.gz LZGABVWSEMATAQ-CVDCTZTESA-N 2 1 410.562 3.659 20 0 HHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000480387204 999786686 /nfs/dbraw/zinc/78/66/86/999786686.db2.gz DOUWMPFSYKPRKP-BKJQLSFMSA-N 2 1 408.586 3.878 20 0 HHADMP Cc1ccccc1[C@H](OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000480387204 999786689 /nfs/dbraw/zinc/78/66/89/999786689.db2.gz DOUWMPFSYKPRKP-BKJQLSFMSA-N 2 1 408.586 3.878 20 0 HHADMP Cc1ccccc1[C@H](OC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000480387204 999786692 /nfs/dbraw/zinc/78/66/92/999786692.db2.gz DOUWMPFSYKPRKP-BKJQLSFMSA-N 2 1 408.586 3.878 20 0 HHADMP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489631687 999806558 /nfs/dbraw/zinc/80/65/58/999806558.db2.gz DYXGGSRDMAUDMN-YKSBVNFPSA-N 2 1 421.585 3.859 20 0 HHADMP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000489682931 999816875 /nfs/dbraw/zinc/81/68/75/999816875.db2.gz ZKJIFZBEQHLCES-LJQANCHMSA-N 2 1 422.573 3.816 20 0 HHADMP c1c[nH]c([C@H]2CCC[NH+](Cc3cccc(C[N@H+]4CCC[C@H](c5ncc[nH]5)C4)c3)C2)n1 ZINC000489735806 999827908 /nfs/dbraw/zinc/82/79/08/999827908.db2.gz GUDJQTUJUXHRIX-VXKWHMMOSA-N 2 1 404.562 3.892 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000489748315 999830261 /nfs/dbraw/zinc/83/02/61/999830261.db2.gz SVCRWWTZCMULTF-QZNHQXDQSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000489748315 999830264 /nfs/dbraw/zinc/83/02/64/999830264.db2.gz SVCRWWTZCMULTF-QZNHQXDQSA-N 2 1 412.622 3.803 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000489748315 999830266 /nfs/dbraw/zinc/83/02/66/999830266.db2.gz SVCRWWTZCMULTF-QZNHQXDQSA-N 2 1 412.622 3.803 20 0 HHADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000480600799 999837590 /nfs/dbraw/zinc/83/75/90/999837590.db2.gz LVDTUCXMTBSIDA-MOPGFXCFSA-N 2 1 415.603 3.677 20 0 HHADMP CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(OC(F)F)cc1 ZINC000480600868 999837680 /nfs/dbraw/zinc/83/76/80/999837680.db2.gz KDQMSHVXLKYBON-OAQYLSRUSA-N 2 1 417.500 3.917 20 0 HHADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000480608998 999839798 /nfs/dbraw/zinc/83/97/98/999839798.db2.gz IMBOPKNPNGRGIQ-OALUTQOASA-N 2 1 415.603 3.820 20 0 HHADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000480613992 999841719 /nfs/dbraw/zinc/84/17/19/999841719.db2.gz UYZIDMHKDPELRM-OALUTQOASA-N 2 1 415.603 3.677 20 0 HHADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1 ZINC000480613992 999841722 /nfs/dbraw/zinc/84/17/22/999841722.db2.gz UYZIDMHKDPELRM-OALUTQOASA-N 2 1 415.603 3.677 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000489844557 999848144 /nfs/dbraw/zinc/84/81/44/999848144.db2.gz YBABQMZSMOTRCF-QPPBQGQZSA-N 2 1 408.590 3.670 20 0 HHADMP C[C@@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[N@H+]1CCCC[C@@H]1C ZINC000490953758 1000027111 /nfs/dbraw/zinc/02/71/11/1000027111.db2.gz XBNZOTFVRRSMOR-OALUTQOASA-N 2 1 404.624 3.662 20 0 HHADMP Cc1ccc([C@H](CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)[NH+](C)C)cc1 ZINC000490970728 1000029256 /nfs/dbraw/zinc/02/92/56/1000029256.db2.gz FCZLASJLYCVCBQ-QFIPXVFZSA-N 2 1 412.603 3.968 20 0 HHADMP C[NH+]1CCC(CC[NH2+][C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)cc2F)CC1 ZINC000491009668 1000033745 /nfs/dbraw/zinc/03/37/45/1000033745.db2.gz RBUOWZZZRIVKDR-QFIPXVFZSA-N 2 1 422.541 3.779 20 0 HHADMP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000491022503 1000034957 /nfs/dbraw/zinc/03/49/57/1000034957.db2.gz SBIFCMCKTRCRLD-HTAPYJJXSA-N 2 1 413.997 3.563 20 0 HHADMP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000491022503 1000034958 /nfs/dbraw/zinc/03/49/58/1000034958.db2.gz SBIFCMCKTRCRLD-HTAPYJJXSA-N 2 1 413.997 3.563 20 0 HHADMP C[C@H](NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000492578501 1000133421 /nfs/dbraw/zinc/13/34/21/1000133421.db2.gz IEUVMCREKNTGDZ-BGWNEDDSSA-N 2 1 408.590 3.542 20 0 HHADMP COC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(Cl)cc1 ZINC000493978614 1000249820 /nfs/dbraw/zinc/24/98/20/1000249820.db2.gz TWMVMCWPDYSDSQ-RBBKRZOGSA-N 2 1 415.965 3.515 20 0 HHADMP COC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(Cl)cc1 ZINC000493978611 1000250125 /nfs/dbraw/zinc/25/01/25/1000250125.db2.gz TWMVMCWPDYSDSQ-IFMALSPDSA-N 2 1 415.965 3.515 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000504653616 1000310414 /nfs/dbraw/zinc/31/04/14/1000310414.db2.gz DXJWLIFYGNXIDU-NRFANRHFSA-N 2 1 411.512 3.679 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494129439 1000322018 /nfs/dbraw/zinc/32/20/18/1000322018.db2.gz XYOYSPXCEXBNJO-VXKWHMMOSA-N 2 1 401.501 3.980 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494129439 1000322022 /nfs/dbraw/zinc/32/20/22/1000322022.db2.gz XYOYSPXCEXBNJO-VXKWHMMOSA-N 2 1 401.501 3.980 20 0 HHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000494189773 1000352134 /nfs/dbraw/zinc/35/21/34/1000352134.db2.gz UTTOQVBJZUAWMX-ZWKOTPCHSA-N 2 1 401.776 3.960 20 0 HHADMP CC(C)[C@H](CNC(=O)Nc1cccc(OCC[NH+](C)C)c1)[N@H+]1CCc2ccccc2C1 ZINC000504816891 1000382862 /nfs/dbraw/zinc/38/28/62/1000382862.db2.gz FXZIXZJAJYUXHT-DEOSSOPVSA-N 2 1 424.589 3.831 20 0 HHADMP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000494261756 1000397021 /nfs/dbraw/zinc/39/70/21/1000397021.db2.gz IKNVZBFSZVSCHX-HOTGVXAUSA-N 2 1 405.493 3.693 20 0 HHADMP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000504922428 1000449424 /nfs/dbraw/zinc/44/94/24/1000449424.db2.gz AWQOIINGRAUENT-HXUWFJFHSA-N 2 1 406.574 3.528 20 0 HHADMP CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)[C@H](C)c1cccc(O)c1 ZINC000494541924 1000545948 /nfs/dbraw/zinc/54/59/48/1000545948.db2.gz IGLKWSUBFURPJE-OAQYLSRUSA-N 2 1 409.574 3.818 20 0 HHADMP CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)[C@H](C)c1cccc(O)c1 ZINC000494541924 1000545954 /nfs/dbraw/zinc/54/59/54/1000545954.db2.gz IGLKWSUBFURPJE-OAQYLSRUSA-N 2 1 409.574 3.818 20 0 HHADMP CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)[C@H](C)c1cccc(O)c1 ZINC000494541924 1000545957 /nfs/dbraw/zinc/54/59/57/1000545957.db2.gz IGLKWSUBFURPJE-OAQYLSRUSA-N 2 1 409.574 3.818 20 0 HHADMP CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)[C@H](C)c1cccc(O)c1 ZINC000494541924 1000545965 /nfs/dbraw/zinc/54/59/65/1000545965.db2.gz IGLKWSUBFURPJE-OAQYLSRUSA-N 2 1 409.574 3.818 20 0 HHADMP CC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@@H](C)c1cccc(O)c1 ZINC000494560322 1000554881 /nfs/dbraw/zinc/55/48/81/1000554881.db2.gz ANNNVQJXHUUFQT-FQEVSTJZSA-N 2 1 409.574 3.864 20 0 HHADMP CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@@H](C)c1cccc(O)c1 ZINC000494560322 1000554885 /nfs/dbraw/zinc/55/48/85/1000554885.db2.gz ANNNVQJXHUUFQT-FQEVSTJZSA-N 2 1 409.574 3.864 20 0 HHADMP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000494593030 1000567109 /nfs/dbraw/zinc/56/71/09/1000567109.db2.gz VQDRBZUQEITBEN-LJQANCHMSA-N 2 1 411.456 3.772 20 0 HHADMP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000505137511 1000570796 /nfs/dbraw/zinc/57/07/96/1000570796.db2.gz ZNSHWTVHDMTCMU-FQEVSTJZSA-N 2 1 415.419 3.660 20 0 HHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@H]2CCC[NH+]2C2CC2)CC1 ZINC000495184490 1000906024 /nfs/dbraw/zinc/90/60/24/1000906024.db2.gz OJMRODDEHUUOKK-HXUWFJFHSA-N 2 1 409.496 3.755 20 0 HHADMP C[NH+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000495184490 1000906030 /nfs/dbraw/zinc/90/60/30/1000906030.db2.gz OJMRODDEHUUOKK-HXUWFJFHSA-N 2 1 409.496 3.755 20 0 HHADMP C[NH+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000495184490 1000906041 /nfs/dbraw/zinc/90/60/41/1000906041.db2.gz OJMRODDEHUUOKK-HXUWFJFHSA-N 2 1 409.496 3.755 20 0 HHADMP O=C(N[C@@H]1CC[NH+]2CCCC[C@@H]12)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000505691510 1000977417 /nfs/dbraw/zinc/97/74/17/1000977417.db2.gz HGKVPWXWQMWBFN-UXHICEINSA-N 2 1 424.511 3.550 20 0 HHADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000505691510 1000977423 /nfs/dbraw/zinc/97/74/23/1000977423.db2.gz HGKVPWXWQMWBFN-UXHICEINSA-N 2 1 424.511 3.550 20 0 HHADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000505691510 1000977431 /nfs/dbraw/zinc/97/74/31/1000977431.db2.gz HGKVPWXWQMWBFN-UXHICEINSA-N 2 1 424.511 3.550 20 0 HHADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000505761459 1001010725 /nfs/dbraw/zinc/01/07/25/1001010725.db2.gz HAPAMEHLFOMFPR-RCZVLFRGSA-N 2 1 422.573 3.724 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495434207 1001011757 /nfs/dbraw/zinc/01/17/57/1001011757.db2.gz QRNOZASETIEKPM-WAOWUJCRSA-N 2 1 401.576 3.619 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1cccs1 ZINC000505766047 1001012395 /nfs/dbraw/zinc/01/23/95/1001012395.db2.gz KTBPNLWBGGHXNR-NZQKXSOJSA-N 2 1 412.603 3.658 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Sc2ccccn2)cc1 ZINC000505801637 1001033773 /nfs/dbraw/zinc/03/37/73/1001033773.db2.gz KUXBCQKULSOXRN-HXUWFJFHSA-N 2 1 412.603 3.721 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Sc2ccccn2)cc1 ZINC000505801636 1001033984 /nfs/dbraw/zinc/03/39/84/1001033984.db2.gz KUXBCQKULSOXRN-FQEVSTJZSA-N 2 1 412.603 3.721 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccc(Cl)cc1 ZINC000495590616 1001049187 /nfs/dbraw/zinc/04/91/87/1001049187.db2.gz IXLCNKUHJVHYNE-KRWDZBQOSA-N 2 1 401.938 3.852 20 0 HHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000506266762 1001317988 /nfs/dbraw/zinc/31/79/88/1001317988.db2.gz DRPLJKWVLAQGAV-UHFFFAOYSA-N 2 1 416.591 3.649 20 0 HHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000506266762 1001317995 /nfs/dbraw/zinc/31/79/95/1001317995.db2.gz DRPLJKWVLAQGAV-UHFFFAOYSA-N 2 1 416.591 3.649 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCC1(F)F ZINC000506511228 1001446134 /nfs/dbraw/zinc/44/61/34/1001446134.db2.gz OKPMWSSVXHDMJE-CTNGQTDRSA-N 2 1 407.549 3.915 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000506511228 1001446138 /nfs/dbraw/zinc/44/61/38/1001446138.db2.gz OKPMWSSVXHDMJE-CTNGQTDRSA-N 2 1 407.549 3.915 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000506511228 1001446140 /nfs/dbraw/zinc/44/61/40/1001446140.db2.gz OKPMWSSVXHDMJE-CTNGQTDRSA-N 2 1 407.549 3.915 20 0 HHADMP Cc1ccc(C[N@@H+](CCc2ccccc2)Cc2cnc(N3CC[NH+](C)CC3)nc2)s1 ZINC000506728476 1001507003 /nfs/dbraw/zinc/50/70/03/1001507003.db2.gz FHTKAGIXOWTHPX-UHFFFAOYSA-N 2 1 421.614 3.843 20 0 HHADMP Cc1ccc(C[N@H+](CCc2ccccc2)Cc2cnc(N3CC[NH+](C)CC3)nc2)s1 ZINC000506728476 1001507006 /nfs/dbraw/zinc/50/70/06/1001507006.db2.gz FHTKAGIXOWTHPX-UHFFFAOYSA-N 2 1 421.614 3.843 20 0 HHADMP O=C([C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)N1CCC([NH+]2CCCCC2)CC1 ZINC000506744917 1001511631 /nfs/dbraw/zinc/51/16/31/1001511631.db2.gz UQMJVTVUDCSRML-OAQYLSRUSA-N 2 1 405.533 3.621 20 0 HHADMP COc1cccc([C@@H]2[C@@H](NC(=O)NCCC[NH+]3CCCC[C@@H]3C)CC[N@H+]2C2CC2)c1 ZINC000498114142 1001646605 /nfs/dbraw/zinc/64/66/05/1001646605.db2.gz LNXVNUNFPFQFLJ-OFAXGOBFSA-N 2 1 414.594 3.537 20 0 HHADMP COc1cccc([C@@H]2[C@@H](NC(=O)NCCC[N@@H+]3CCCC[C@@H]3C)CC[NH+]2C2CC2)c1 ZINC000498114142 1001646606 /nfs/dbraw/zinc/64/66/06/1001646606.db2.gz LNXVNUNFPFQFLJ-OFAXGOBFSA-N 2 1 414.594 3.537 20 0 HHADMP COc1cccc([C@@H]2[C@@H](NC(=O)NCCC[N@H+]3CCCC[C@@H]3C)CC[NH+]2C2CC2)c1 ZINC000498114142 1001646611 /nfs/dbraw/zinc/64/66/11/1001646611.db2.gz LNXVNUNFPFQFLJ-OFAXGOBFSA-N 2 1 414.594 3.537 20 0 HHADMP COc1cccc([C@H](CNC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)c1 ZINC000498121461 1001650441 /nfs/dbraw/zinc/65/04/41/1001650441.db2.gz QOFXOPFBGVZHPM-CKUXNOBLSA-N 2 1 424.589 3.508 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000498121468 1001650521 /nfs/dbraw/zinc/65/05/21/1001650521.db2.gz QPFGRPDJOSBKRD-NWSQWKLXSA-N 2 1 424.589 3.508 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000498121468 1001650524 /nfs/dbraw/zinc/65/05/24/1001650524.db2.gz QPFGRPDJOSBKRD-NWSQWKLXSA-N 2 1 424.589 3.508 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000498121470 1001650666 /nfs/dbraw/zinc/65/06/66/1001650666.db2.gz QPFGRPDJOSBKRD-WPYKKVEZSA-N 2 1 424.589 3.508 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000498121470 1001650670 /nfs/dbraw/zinc/65/06/70/1001650670.db2.gz QPFGRPDJOSBKRD-WPYKKVEZSA-N 2 1 424.589 3.508 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000498158217 1001667747 /nfs/dbraw/zinc/66/77/47/1001667747.db2.gz YEIVMKJIDIWWKC-KZTDQWPFSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000498158217 1001667751 /nfs/dbraw/zinc/66/77/51/1001667751.db2.gz YEIVMKJIDIWWKC-KZTDQWPFSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000498158217 1001667753 /nfs/dbraw/zinc/66/77/53/1001667753.db2.gz YEIVMKJIDIWWKC-KZTDQWPFSA-N 2 1 412.622 3.790 20 0 HHADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)C1 ZINC000498166247 1001671261 /nfs/dbraw/zinc/67/12/61/1001671261.db2.gz NCUSLXAHQXNWCL-NSISKUIASA-N 2 1 422.976 3.742 20 0 HHADMP C[C@H](C[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1)CN1CC[NH+](C)CC1 ZINC000498456088 1001883718 /nfs/dbraw/zinc/88/37/18/1001883718.db2.gz ZYJUOAQUFUVIAQ-OXQOHEQNSA-N 2 1 406.368 3.605 20 0 HHADMP CCCC[N@H+](C)CC1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000498507705 1001930332 /nfs/dbraw/zinc/93/03/32/1001930332.db2.gz DFURLFDKXMEVNR-QFIPXVFZSA-N 2 1 403.636 3.747 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000498507705 1001930340 /nfs/dbraw/zinc/93/03/40/1001930340.db2.gz DFURLFDKXMEVNR-QFIPXVFZSA-N 2 1 403.636 3.747 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000507272855 1001956076 /nfs/dbraw/zinc/95/60/76/1001956076.db2.gz HDONMZQQIIVCIJ-OAQYLSRUSA-N 2 1 409.578 3.760 20 0 HHADMP COc1cccc([C@H]2[C@@H](NC(=O)NCCC[NH2+]C3CCCCC3)CC[N@H+]2C2CC2)c1 ZINC000498555054 1001969640 /nfs/dbraw/zinc/96/96/40/1001969640.db2.gz NYJTZPHSYUZCEI-GOTSBHOMSA-N 2 1 414.594 3.585 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498671564 1002063996 /nfs/dbraw/zinc/06/39/96/1002063996.db2.gz NQLWXNPMEHICHZ-HSQYWUDLSA-N 2 1 420.548 3.616 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498671564 1002064005 /nfs/dbraw/zinc/06/40/05/1002064005.db2.gz NQLWXNPMEHICHZ-HSQYWUDLSA-N 2 1 420.548 3.616 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000498671565 1002064393 /nfs/dbraw/zinc/06/43/93/1002064393.db2.gz NQLWXNPMEHICHZ-VOQZNFBZSA-N 2 1 420.548 3.616 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000498671565 1002064399 /nfs/dbraw/zinc/06/43/99/1002064399.db2.gz NQLWXNPMEHICHZ-VOQZNFBZSA-N 2 1 420.548 3.616 20 0 HHADMP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1cccc(Br)c1 ZINC000507488535 1002102146 /nfs/dbraw/zinc/10/21/46/1002102146.db2.gz VAKXSQQHSRLCDO-ZDFPQIBNSA-N 2 1 415.375 3.983 20 0 HHADMP CC(C)C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C(=O)Nc1nccs1 ZINC000507490157 1002103341 /nfs/dbraw/zinc/10/33/41/1002103341.db2.gz ZYOAPAQDFOKOIQ-NCYKPQTJSA-N 2 1 412.603 3.997 20 0 HHADMP CC(C)C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C(=O)Nc1nccs1 ZINC000507490157 1002103345 /nfs/dbraw/zinc/10/33/45/1002103345.db2.gz ZYOAPAQDFOKOIQ-NCYKPQTJSA-N 2 1 412.603 3.997 20 0 HHADMP O[C@H](C(F)F)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000507505478 1002117227 /nfs/dbraw/zinc/11/72/27/1002117227.db2.gz DUKKHUMGKGEXTF-NQQQLTFYSA-N 2 1 400.513 3.724 20 0 HHADMP O=C(NC1CCCCC1)N1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000507513875 1002125173 /nfs/dbraw/zinc/12/51/73/1002125173.db2.gz RTOBICLHCSPRRE-NQHRYMMQSA-N 2 1 424.633 3.993 20 0 HHADMP COC1CCN(C2(C[NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)CCCC2)CC1 ZINC000507537427 1002145937 /nfs/dbraw/zinc/14/59/37/1002145937.db2.gz YBGIBMONPAOFFR-ZKMPZPQNSA-N 2 1 411.634 3.910 20 0 HHADMP COC1CC[NH+](C2(CN[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)CCCC2)CC1 ZINC000507537427 1002145929 /nfs/dbraw/zinc/14/59/29/1002145929.db2.gz YBGIBMONPAOFFR-ZKMPZPQNSA-N 2 1 411.634 3.910 20 0 HHADMP COC1CCN(C2(C[NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)CCCC2)CC1 ZINC000507537427 1002145943 /nfs/dbraw/zinc/14/59/43/1002145943.db2.gz YBGIBMONPAOFFR-ZKMPZPQNSA-N 2 1 411.634 3.910 20 0 HHADMP C[C@H](NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000498798961 1002184451 /nfs/dbraw/zinc/18/44/51/1002184451.db2.gz MHUAVBQMFLFMIV-CWLKWCNXSA-N 2 1 403.533 3.664 20 0 HHADMP C[C@H](NC(=O)[C@@H]1C[NH+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000498798961 1002184455 /nfs/dbraw/zinc/18/44/55/1002184455.db2.gz MHUAVBQMFLFMIV-CWLKWCNXSA-N 2 1 403.533 3.664 20 0 HHADMP C[C@H](NC(=O)[C@@H]1C[NH+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000498798961 1002184461 /nfs/dbraw/zinc/18/44/61/1002184461.db2.gz MHUAVBQMFLFMIV-CWLKWCNXSA-N 2 1 403.533 3.664 20 0 HHADMP C/C=C/c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(OC)c1 ZINC000498851640 1002235763 /nfs/dbraw/zinc/23/57/63/1002235763.db2.gz RMXYBIIZFACNTP-BWJXHPBQSA-N 2 1 416.606 3.912 20 0 HHADMP C/C=C/c1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(OC)c1 ZINC000498851640 1002235776 /nfs/dbraw/zinc/23/57/76/1002235776.db2.gz RMXYBIIZFACNTP-BWJXHPBQSA-N 2 1 416.606 3.912 20 0 HHADMP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC000507691077 1002283616 /nfs/dbraw/zinc/28/36/16/1002283616.db2.gz YNDHSWZYMACYMP-NRFANRHFSA-N 2 1 417.500 3.723 20 0 HHADMP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2csc(-c3ccco3)n2)CC1 ZINC000507919658 1002454467 /nfs/dbraw/zinc/45/44/67/1002454467.db2.gz FDHDEKKRAFGLFQ-UHFFFAOYSA-N 2 1 416.591 3.607 20 0 HHADMP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cn2)C[C@@H](C)O1 ZINC000499138314 1002523492 /nfs/dbraw/zinc/52/34/92/1002523492.db2.gz DNEKXTNSPGJANG-QEYZJBADSA-N 2 1 420.601 3.980 20 0 HHADMP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cn2)C[C@@H](C)O1 ZINC000499138314 1002523499 /nfs/dbraw/zinc/52/34/99/1002523499.db2.gz DNEKXTNSPGJANG-QEYZJBADSA-N 2 1 420.601 3.980 20 0 HHADMP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)N2CCOCC2)o1 ZINC000499154091 1002538104 /nfs/dbraw/zinc/53/81/04/1002538104.db2.gz TWAOMTWZLAFZLU-XQUALCHDSA-N 2 1 409.574 3.747 20 0 HHADMP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)N2CCOCC2)o1 ZINC000499154091 1002538112 /nfs/dbraw/zinc/53/81/12/1002538112.db2.gz TWAOMTWZLAFZLU-XQUALCHDSA-N 2 1 409.574 3.747 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000508041148 1002562745 /nfs/dbraw/zinc/56/27/45/1002562745.db2.gz BTZDXAGVUPFJKS-LJQANCHMSA-N 2 1 414.585 3.650 20 0 HHADMP c1ccc(C[C@H](CN2CCOCC2)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000499237858 1002628001 /nfs/dbraw/zinc/62/80/01/1002628001.db2.gz PFWJDZLYDUXICL-CWTOASCOSA-N 2 1 419.613 3.715 20 0 HHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CC1 ZINC000508371866 1002869479 /nfs/dbraw/zinc/86/94/79/1002869479.db2.gz VGNATNQMJXFUKT-IAGOWNOFSA-N 2 1 413.484 3.669 20 0 HHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CC1 ZINC000508371866 1002869494 /nfs/dbraw/zinc/86/94/94/1002869494.db2.gz VGNATNQMJXFUKT-IAGOWNOFSA-N 2 1 413.484 3.669 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc(-c2ccc(C)cc2)n1 ZINC000499510522 1002899767 /nfs/dbraw/zinc/89/97/67/1002899767.db2.gz WIEHDEBPRCBTPO-IBGZPJMESA-N 2 1 400.592 3.607 20 0 HHADMP COc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc(Br)c1OC(F)F ZINC000508544719 1003019549 /nfs/dbraw/zinc/01/95/49/1003019549.db2.gz MLCLYNNRFFCIDA-GFCCVEGCSA-N 2 1 407.299 3.833 20 0 HHADMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc(Br)c1OC(F)F ZINC000508544719 1003019582 /nfs/dbraw/zinc/01/95/82/1003019582.db2.gz MLCLYNNRFFCIDA-GFCCVEGCSA-N 2 1 407.299 3.833 20 0 HHADMP COc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc(Br)c1OC(F)F ZINC000508544719 1003019559 /nfs/dbraw/zinc/01/95/59/1003019559.db2.gz MLCLYNNRFFCIDA-GFCCVEGCSA-N 2 1 407.299 3.833 20 0 HHADMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc(Br)c1OC(F)F ZINC000508544719 1003019572 /nfs/dbraw/zinc/01/95/72/1003019572.db2.gz MLCLYNNRFFCIDA-GFCCVEGCSA-N 2 1 407.299 3.833 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508700494 1003137881 /nfs/dbraw/zinc/13/78/81/1003137881.db2.gz QTAGLROPBVQURF-OPXMRZJTSA-N 2 1 421.585 3.596 20 0 HHADMP C[C@H]([NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508700490 1003137983 /nfs/dbraw/zinc/13/79/83/1003137983.db2.gz QTAGLROPBVQURF-KSNOWIBYSA-N 2 1 421.585 3.596 20 0 HHADMP C[C@@H]([NH2+]C1CCN(C(=O)NC2CCCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508712679 1003150961 /nfs/dbraw/zinc/15/09/61/1003150961.db2.gz ROMYTALSLJVDQV-IFMALSPDSA-N 2 1 412.622 3.993 20 0 HHADMP C[C@H]([NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508716822 1003156330 /nfs/dbraw/zinc/15/63/30/1003156330.db2.gz LFJRDIGJZYALLF-QUURXOELSA-N 2 1 411.565 3.699 20 0 HHADMP COc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)N2CCOCC2)cc1 ZINC000508722295 1003162483 /nfs/dbraw/zinc/16/24/83/1003162483.db2.gz XBPUZPKKHFTBIO-QQSVUBKYSA-N 2 1 423.601 3.569 20 0 HHADMP c1ncn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000508730265 1003170048 /nfs/dbraw/zinc/17/00/48/1003170048.db2.gz OCJQYWRVAWRNRP-CCDWMCETSA-N 2 1 401.558 3.717 20 0 HHADMP c1ncn(Cc2ccccc2C[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000508730266 1003170174 /nfs/dbraw/zinc/17/01/74/1003170174.db2.gz OCJQYWRVAWRNRP-GVAUOCQISA-N 2 1 401.558 3.717 20 0 HHADMP C[C@H](NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508849353 1003270257 /nfs/dbraw/zinc/27/02/57/1003270257.db2.gz BMWXPMJUUJYWOU-FJIJXJHWSA-N 2 1 408.590 3.841 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(OC[C@@H]4CCCO4)cc3)CC2)C[C@H](C)O1 ZINC000508894898 1003325437 /nfs/dbraw/zinc/32/54/37/1003325437.db2.gz ONCUEROBNHKBTE-BKSPAHHJSA-N 2 1 416.606 3.956 20 0 HHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CCCC12CC[NH+](C)CC2)c1ccc(Cl)cc1 ZINC000509042061 1003511505 /nfs/dbraw/zinc/51/15/05/1003511505.db2.gz YDQXUSSOWXGKBC-HXUWFJFHSA-N 2 1 407.002 3.993 20 0 HHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cccc(C(=O)N(C)C)c3)CC2)c1C ZINC000509083666 1003540726 /nfs/dbraw/zinc/54/07/26/1003540726.db2.gz NIDFJKNEJPWSSN-UHFFFAOYSA-N 2 1 424.589 3.505 20 0 HHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cccc(C(=O)N(C)C)c3)CC2)c1C ZINC000509083666 1003540718 /nfs/dbraw/zinc/54/07/18/1003540718.db2.gz NIDFJKNEJPWSSN-UHFFFAOYSA-N 2 1 424.589 3.505 20 0 HHADMP C[NH+](C)C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000500550987 1003777594 /nfs/dbraw/zinc/77/75/94/1003777594.db2.gz FYEAARRUYBAIQW-ACRUOGEOSA-N 2 1 418.944 3.826 20 0 HHADMP C[NH+](C)C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000500550987 1003777600 /nfs/dbraw/zinc/77/76/00/1003777600.db2.gz FYEAARRUYBAIQW-ACRUOGEOSA-N 2 1 418.944 3.826 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000509370239 1003798088 /nfs/dbraw/zinc/79/80/88/1003798088.db2.gz FUXZFOZWUKEUDT-IFMALSPDSA-N 2 1 422.598 3.593 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000509370239 1003798097 /nfs/dbraw/zinc/79/80/97/1003798097.db2.gz FUXZFOZWUKEUDT-IFMALSPDSA-N 2 1 422.598 3.593 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000509370239 1003798108 /nfs/dbraw/zinc/79/81/08/1003798108.db2.gz FUXZFOZWUKEUDT-IFMALSPDSA-N 2 1 422.598 3.593 20 0 HHADMP Cc1nc2sccn2c(=O)c1CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000509370239 1003798118 /nfs/dbraw/zinc/79/81/18/1003798118.db2.gz FUXZFOZWUKEUDT-IFMALSPDSA-N 2 1 422.598 3.593 20 0 HHADMP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000500601322 1003816080 /nfs/dbraw/zinc/81/60/80/1003816080.db2.gz SFBOWKDTZNNGHB-DEOSSOPVSA-N 2 1 424.589 3.606 20 0 HHADMP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000500601322 1003816095 /nfs/dbraw/zinc/81/60/95/1003816095.db2.gz SFBOWKDTZNNGHB-DEOSSOPVSA-N 2 1 424.589 3.606 20 0 HHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cc(N2CCCC[C@H]2CO)ncn1 ZINC000509527015 1003924265 /nfs/dbraw/zinc/92/42/65/1003924265.db2.gz MKEATENXYFMQJE-LEWJYISDSA-N 2 1 409.578 3.540 20 0 HHADMP C[NH+](C)CCOc1cccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000509531793 1003926756 /nfs/dbraw/zinc/92/67/56/1003926756.db2.gz GJDMTPXWUZOVPY-NRFANRHFSA-N 2 1 417.500 3.723 20 0 HHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)c1ccco1 ZINC000509566199 1003948360 /nfs/dbraw/zinc/94/83/60/1003948360.db2.gz DGTPBYFHGSDPLV-GHTZIAJQSA-N 2 1 416.541 3.765 20 0 HHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)c1ccco1 ZINC000509566199 1003948365 /nfs/dbraw/zinc/94/83/65/1003948365.db2.gz DGTPBYFHGSDPLV-GHTZIAJQSA-N 2 1 416.541 3.765 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)cc1F ZINC000500786365 1003955740 /nfs/dbraw/zinc/95/57/40/1003955740.db2.gz LSJCMCQPRKFDLZ-UHFFFAOYSA-N 2 1 401.530 3.583 20 0 HHADMP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000512170785 1004074220 /nfs/dbraw/zinc/07/42/20/1004074220.db2.gz DNHLHXVBCMUYCO-JOCHJYFZSA-N 2 1 400.611 3.851 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000512171291 1004074898 /nfs/dbraw/zinc/07/48/98/1004074898.db2.gz GPSUOHDFRWCXSN-DHIUTWEWSA-N 2 1 408.590 3.889 20 0 HHADMP CC[N@H+](Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1)C(C)C ZINC000512187842 1004089314 /nfs/dbraw/zinc/08/93/14/1004089314.db2.gz ZJCXILUTZPSBEO-UHFFFAOYSA-N 2 1 409.574 3.679 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1)C(C)C ZINC000512187842 1004089316 /nfs/dbraw/zinc/08/93/16/1004089316.db2.gz ZJCXILUTZPSBEO-UHFFFAOYSA-N 2 1 409.574 3.679 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000509778331 1004089498 /nfs/dbraw/zinc/08/94/98/1004089498.db2.gz QNCSEFUAKOMLME-QUCCMNQESA-N 2 1 400.611 3.896 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3ccccc3-c3ccnn3C)cc2)C[C@H](C)O1 ZINC000509788450 1004097615 /nfs/dbraw/zinc/09/76/15/1004097615.db2.gz RLLHYGSPXPSATK-BGYRXZFFSA-N 2 1 404.558 3.986 20 0 HHADMP CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501036327 1004138787 /nfs/dbraw/zinc/13/87/87/1004138787.db2.gz YOEVJPNGUPPXIN-NRFANRHFSA-N 2 1 412.603 3.827 20 0 HHADMP C[N@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501043966 1004145480 /nfs/dbraw/zinc/14/54/80/1004145480.db2.gz FIENBARPDFYGIZ-UHFFFAOYSA-N 2 1 421.570 3.652 20 0 HHADMP COC[C@H](C)n1c(C)cc(C(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000501048965 1004150559 /nfs/dbraw/zinc/15/05/59/1004150559.db2.gz ACHHRUDHCTYZSJ-IBGZPJMESA-N 2 1 412.578 3.738 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H](c2ccc(Cl)cc2)c2cnccn2)CC1 ZINC000501059665 1004161767 /nfs/dbraw/zinc/16/17/67/1004161767.db2.gz NZQAOLBQFXOYJX-JOCHJYFZSA-N 2 1 401.986 3.567 20 0 HHADMP C[C@H]1C[C@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000501070466 1004173434 /nfs/dbraw/zinc/17/34/34/1004173434.db2.gz DLGLORQXJOMCRS-NZQKXSOJSA-N 2 1 400.611 3.803 20 0 HHADMP CCC[N@H+](CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512283440 1004185125 /nfs/dbraw/zinc/18/51/25/1004185125.db2.gz PQWATNJEQAJDMX-PGRDOPGGSA-N 2 1 415.626 3.811 20 0 HHADMP CCC[N@@H+](CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512283440 1004185129 /nfs/dbraw/zinc/18/51/29/1004185129.db2.gz PQWATNJEQAJDMX-PGRDOPGGSA-N 2 1 415.626 3.811 20 0 HHADMP CCC[N@H+](CC(=O)Nc1c(F)cccc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512284382 1004187196 /nfs/dbraw/zinc/18/71/96/1004187196.db2.gz XSBOOUJVUULLGK-UHFFFAOYSA-N 2 1 417.504 3.691 20 0 HHADMP CCC[N@@H+](CC(=O)Nc1c(F)cccc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512284382 1004187198 /nfs/dbraw/zinc/18/71/98/1004187198.db2.gz XSBOOUJVUULLGK-UHFFFAOYSA-N 2 1 417.504 3.691 20 0 HHADMP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000501082716 1004187661 /nfs/dbraw/zinc/18/76/61/1004187661.db2.gz AKZOTTLNEMPTHZ-GHTZIAJQSA-N 2 1 424.992 3.989 20 0 HHADMP O[C@@H](COCc1ccccc1Cl)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512293935 1004198134 /nfs/dbraw/zinc/19/81/34/1004198134.db2.gz NIZSXLUAOYYQQK-VWNXMTODSA-N 2 1 414.977 3.816 20 0 HHADMP O[C@@H](COCc1ccccc1Cl)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512293935 1004198141 /nfs/dbraw/zinc/19/81/41/1004198141.db2.gz NIZSXLUAOYYQQK-VWNXMTODSA-N 2 1 414.977 3.816 20 0 HHADMP O[C@@H](COCc1ccccc1Cl)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512293935 1004198147 /nfs/dbraw/zinc/19/81/47/1004198147.db2.gz NIZSXLUAOYYQQK-VWNXMTODSA-N 2 1 414.977 3.816 20 0 HHADMP C[C@@H](c1ccc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1)[NH+]1CCOCC1 ZINC000501231503 1004300160 /nfs/dbraw/zinc/30/01/60/1004300160.db2.gz HZRPKFPSPMQEEQ-IBGZPJMESA-N 2 1 414.594 3.856 20 0 HHADMP Fc1cc(OCCN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)ccc1Cl ZINC000512443333 1004305232 /nfs/dbraw/zinc/30/52/32/1004305232.db2.gz AVAZASRDQYOLOQ-FQEVSTJZSA-N 2 1 417.956 3.750 20 0 HHADMP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000501276976 1004328601 /nfs/dbraw/zinc/32/86/01/1004328601.db2.gz SLACNUODZSPOHO-HXUWFJFHSA-N 2 1 422.411 3.794 20 0 HHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000501276976 1004328606 /nfs/dbraw/zinc/32/86/06/1004328606.db2.gz SLACNUODZSPOHO-HXUWFJFHSA-N 2 1 422.411 3.794 20 0 HHADMP CC[C@@H](CNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000501357180 1004364716 /nfs/dbraw/zinc/36/47/16/1004364716.db2.gz JNDKOVUHKMYTCQ-GOTSBHOMSA-N 2 1 412.553 3.565 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000501387923 1004383402 /nfs/dbraw/zinc/38/34/02/1004383402.db2.gz CBVGHGWTJJJSAR-IDZYALCFSA-N 2 1 420.548 3.757 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000501387923 1004383407 /nfs/dbraw/zinc/38/34/07/1004383407.db2.gz CBVGHGWTJJJSAR-IDZYALCFSA-N 2 1 420.548 3.757 20 0 HHADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000501391649 1004386936 /nfs/dbraw/zinc/38/69/36/1004386936.db2.gz MXORZUICMDFBIS-APTRMMRNSA-N 2 1 424.589 3.508 20 0 HHADMP O=C([C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000510244548 1004420882 /nfs/dbraw/zinc/42/08/82/1004420882.db2.gz UDCNKIMQBJMFCD-LEWJYISDSA-N 2 1 405.533 3.621 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@H](c4cccnc4)C3)c2)C1 ZINC000501472917 1004447453 /nfs/dbraw/zinc/44/74/53/1004447453.db2.gz FYSABNPBIQHLFW-QTJGBDASSA-N 2 1 406.574 3.595 20 0 HHADMP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)cn2)CCO1 ZINC000512646646 1004458213 /nfs/dbraw/zinc/45/82/13/1004458213.db2.gz BWEOXQFKYCMBKE-ZBCONREDSA-N 2 1 420.601 3.697 20 0 HHADMP O=C(NCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1c(F)cccc1F ZINC000512664572 1004475416 /nfs/dbraw/zinc/47/54/16/1004475416.db2.gz AGGAYOSRUVRURH-WOIUINJBSA-N 2 1 413.512 3.585 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000510325185 1004481872 /nfs/dbraw/zinc/48/18/72/1004481872.db2.gz GAIBKAKHJRWMHC-OYRHEFFESA-N 2 1 412.622 3.934 20 0 HHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000512686071 1004492222 /nfs/dbraw/zinc/49/22/22/1004492222.db2.gz FRQFRMKOOYRGFU-QZTJIDSGSA-N 2 1 401.986 3.721 20 0 HHADMP C[C@H](NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000512687962 1004494146 /nfs/dbraw/zinc/49/41/46/1004494146.db2.gz AAEQLKXAPKLTEM-PZJWPPBQSA-N 2 1 400.611 3.849 20 0 HHADMP C[C@H](NC(=O)NC(C)(C)C[NH+](C)Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512687962 1004494151 /nfs/dbraw/zinc/49/41/51/1004494151.db2.gz AAEQLKXAPKLTEM-PZJWPPBQSA-N 2 1 400.611 3.849 20 0 HHADMP C[C@H](NC(=O)NC(C)(C)C[NH+](C)Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512687962 1004494156 /nfs/dbraw/zinc/49/41/56/1004494156.db2.gz AAEQLKXAPKLTEM-PZJWPPBQSA-N 2 1 400.611 3.849 20 0 HHADMP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512693162 1004499238 /nfs/dbraw/zinc/49/92/38/1004499238.db2.gz HKRGDGYUIVFUFX-QZTJIDSGSA-N 2 1 422.564 3.691 20 0 HHADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000501615362 1004554592 /nfs/dbraw/zinc/55/45/92/1004554592.db2.gz LZINWTGKCHWKRS-NRFANRHFSA-N 2 1 400.954 3.713 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N2CC[NH+](Cc3ccccc3C)CC2)[NH+]2CCCC2)o1 ZINC000510428920 1004560151 /nfs/dbraw/zinc/56/01/51/1004560151.db2.gz OEEWEJNLRUBPNP-QFIPXVFZSA-N 2 1 410.562 3.561 20 0 HHADMP CC[C@@H](CNC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000510455496 1004578007 /nfs/dbraw/zinc/57/80/07/1004578007.db2.gz GPWOAFRWDKRUMM-GOTSBHOMSA-N 2 1 424.589 3.861 20 0 HHADMP O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000512825817 1004584029 /nfs/dbraw/zinc/58/40/29/1004584029.db2.gz GYOJNRKVAPDNPR-PMACEKPBSA-N 2 1 424.511 3.550 20 0 HHADMP C[C@H](NC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512829509 1004587290 /nfs/dbraw/zinc/58/72/90/1004587290.db2.gz VBQFLYTVFHEYDD-ZJOUEHCJSA-N 2 1 414.594 3.854 20 0 HHADMP C[C@H](NC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512829509 1004587299 /nfs/dbraw/zinc/58/72/99/1004587299.db2.gz VBQFLYTVFHEYDD-ZJOUEHCJSA-N 2 1 414.594 3.854 20 0 HHADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCC[C@H]3c3cccc(C(F)(F)F)c3)cn2)CC1 ZINC000512856013 1004618308 /nfs/dbraw/zinc/61/83/08/1004618308.db2.gz KYFCMUSYDLECIC-PMACEKPBSA-N 2 1 419.495 3.673 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000510508904 1004631097 /nfs/dbraw/zinc/63/10/97/1004631097.db2.gz CBJFQOUTLFNYKQ-PZJWPPBQSA-N 2 1 400.611 3.979 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510508904 1004631102 /nfs/dbraw/zinc/63/11/02/1004631102.db2.gz CBJFQOUTLFNYKQ-PZJWPPBQSA-N 2 1 400.611 3.979 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510508904 1004631107 /nfs/dbraw/zinc/63/11/07/1004631107.db2.gz CBJFQOUTLFNYKQ-PZJWPPBQSA-N 2 1 400.611 3.979 20 0 HHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000510509484 1004632026 /nfs/dbraw/zinc/63/20/26/1004632026.db2.gz DLBLHANNDOCWJR-KNQAVFIVSA-N 2 1 400.611 3.981 20 0 HHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000501770155 1004707618 /nfs/dbraw/zinc/70/76/18/1004707618.db2.gz NGLGWDDVZZMCBN-CTNGQTDRSA-N 2 1 421.651 3.871 20 0 HHADMP Cc1cc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)n([C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000501782858 1004724136 /nfs/dbraw/zinc/72/41/36/1004724136.db2.gz WVCOUOZXZZHEMJ-VXKWHMMOSA-N 2 1 409.578 3.842 20 0 HHADMP Cc1cc(NC(=O)CC[C@@H]2CCCC[NH+]2C)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000501782858 1004724142 /nfs/dbraw/zinc/72/41/42/1004724142.db2.gz WVCOUOZXZZHEMJ-VXKWHMMOSA-N 2 1 409.578 3.842 20 0 HHADMP Cc1cc(NC(=O)CC[C@@H]2CCCC[NH+]2C)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000501782858 1004724148 /nfs/dbraw/zinc/72/41/48/1004724148.db2.gz WVCOUOZXZZHEMJ-VXKWHMMOSA-N 2 1 409.578 3.842 20 0 HHADMP C[C@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510580459 1004727982 /nfs/dbraw/zinc/72/79/82/1004727982.db2.gz OJGZWJWLIXVRFJ-REWPJTCUSA-N 2 1 412.622 3.851 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000513047119 1004776240 /nfs/dbraw/zinc/77/62/40/1004776240.db2.gz PXCVVDUOAROROZ-DCEDVJGZSA-N 2 1 421.585 3.738 20 0 HHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)CC[N@H+]1Cc1ccccc1 ZINC000513047119 1004776244 /nfs/dbraw/zinc/77/62/44/1004776244.db2.gz PXCVVDUOAROROZ-DCEDVJGZSA-N 2 1 421.585 3.738 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000513047120 1004776435 /nfs/dbraw/zinc/77/64/35/1004776435.db2.gz PXCVVDUOAROROZ-NIJXNBFTSA-N 2 1 421.585 3.738 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)CC[N@H+]1Cc1ccccc1 ZINC000513047120 1004776440 /nfs/dbraw/zinc/77/64/40/1004776440.db2.gz PXCVVDUOAROROZ-NIJXNBFTSA-N 2 1 421.585 3.738 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCC1(C(F)(F)F)CCC1 ZINC000510853263 1004892205 /nfs/dbraw/zinc/89/22/05/1004892205.db2.gz PWWTZYZVHDHZDF-UHFFFAOYSA-N 2 1 418.548 3.557 20 0 HHADMP COc1cccc(C[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C2CC2)c1 ZINC000513372349 1004931495 /nfs/dbraw/zinc/93/14/95/1004931495.db2.gz PHZCCBXEXGDHJW-ZCYQVOJMSA-N 2 1 421.585 3.503 20 0 HHADMP COc1cccc(C[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C2CC2)c1 ZINC000513372344 1004931540 /nfs/dbraw/zinc/93/15/40/1004931540.db2.gz PHZCCBXEXGDHJW-NOZRDPDXSA-N 2 1 421.585 3.503 20 0 HHADMP CC(C)Cc1ccc([C@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[NH+](C)C)cc1 ZINC000513373900 1004932687 /nfs/dbraw/zinc/93/26/87/1004932687.db2.gz UGIBIQQHUACYMB-KORDQABASA-N 2 1 400.611 3.754 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)cc1 ZINC000510962495 1004955708 /nfs/dbraw/zinc/95/57/08/1004955708.db2.gz RAXNPUNFRRFXEE-GHTZIAJQSA-N 2 1 404.514 3.511 20 0 HHADMP O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000510995741 1004971672 /nfs/dbraw/zinc/97/16/72/1004971672.db2.gz JZIJKVOZQDUSDY-HSZRJFAPSA-N 2 1 410.537 3.729 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@H]2CCCC23CCOCC3)c1)C1CCOCC1 ZINC000502276964 1004990038 /nfs/dbraw/zinc/99/00/38/1004990038.db2.gz RPESCAUMAXXEFA-QHCPKHFHSA-N 2 1 402.579 3.615 20 0 HHADMP Cc1c(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000513494273 1004990335 /nfs/dbraw/zinc/99/03/35/1004990335.db2.gz GZYATTMPLJNKEO-NZQKXSOJSA-N 2 1 418.585 3.875 20 0 HHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(-c4c(F)cccc4F)o3)CC2)CC1 ZINC000513648664 1005065822 /nfs/dbraw/zinc/06/58/22/1005065822.db2.gz UIKUXJIMCAITFN-UHFFFAOYSA-N 2 1 417.500 3.601 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3c(OC)ccc4ccccc43)CC2)CC1 ZINC000513684623 1005081720 /nfs/dbraw/zinc/08/17/20/1005081720.db2.gz SXEQAZBHWDVWKV-UHFFFAOYSA-N 2 1 409.574 3.615 20 0 HHADMP C[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511232035 1005083887 /nfs/dbraw/zinc/08/38/87/1005083887.db2.gz QXVSNUSIFXSHGA-BHIFYINESA-N 2 1 404.643 3.793 20 0 HHADMP C[C@@H](NC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)C1=CC[N@H+](C)CC1 ZINC000511235098 1005085416 /nfs/dbraw/zinc/08/54/16/1005085416.db2.gz ZJHXJXGCBYCOSC-LJQANCHMSA-N 2 1 416.569 3.734 20 0 HHADMP C[C@@H](NC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)C1=CC[N@@H+](C)CC1 ZINC000511235098 1005085422 /nfs/dbraw/zinc/08/54/22/1005085422.db2.gz ZJHXJXGCBYCOSC-LJQANCHMSA-N 2 1 416.569 3.734 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)CC1 ZINC000511242790 1005087876 /nfs/dbraw/zinc/08/78/76/1005087876.db2.gz UPLPPTVRIGNTCL-UHFFFAOYSA-N 2 1 415.626 3.723 20 0 HHADMP C[C@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511249122 1005090990 /nfs/dbraw/zinc/09/09/90/1005090990.db2.gz KNRZMXPECHRKLU-ZCNNSNEGSA-N 2 1 418.651 3.912 20 0 HHADMP C[C@H](NC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511249122 1005090996 /nfs/dbraw/zinc/09/09/96/1005090996.db2.gz KNRZMXPECHRKLU-ZCNNSNEGSA-N 2 1 418.651 3.912 20 0 HHADMP C[C@H](NC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511249122 1005091000 /nfs/dbraw/zinc/09/10/00/1005091000.db2.gz KNRZMXPECHRKLU-ZCNNSNEGSA-N 2 1 418.651 3.912 20 0 HHADMP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511252658 1005092526 /nfs/dbraw/zinc/09/25/26/1005092526.db2.gz YKKNWQLILJADMG-MOPGFXCFSA-N 2 1 404.574 3.552 20 0 HHADMP C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511264130 1005096895 /nfs/dbraw/zinc/09/68/95/1005096895.db2.gz DGWQXVXYWZYJJI-BDTNDASRSA-N 2 1 404.643 3.937 20 0 HHADMP C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511264131 1005097085 /nfs/dbraw/zinc/09/70/85/1005097085.db2.gz DGWQXVXYWZYJJI-BHDDXSALSA-N 2 1 404.643 3.937 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1F ZINC000513891724 1005175287 /nfs/dbraw/zinc/17/52/87/1005175287.db2.gz LCKAYJBQNXFSLZ-QHCPKHFHSA-N 2 1 421.520 3.956 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)CC1 ZINC000502785533 1005216629 /nfs/dbraw/zinc/21/66/29/1005216629.db2.gz UGKUUVBXCCABGV-UHFFFAOYSA-N 2 1 404.574 3.555 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CC1 ZINC000502785533 1005216634 /nfs/dbraw/zinc/21/66/34/1005216634.db2.gz UGKUUVBXCCABGV-UHFFFAOYSA-N 2 1 404.574 3.555 20 0 HHADMP CC1CC[NH+](C2CCC(NC(=O)N3CC[NH+](CCc4cccs4)CC3)CC2)CC1 ZINC000502787765 1005217395 /nfs/dbraw/zinc/21/73/95/1005217395.db2.gz DQGNOUZJNUCPJK-UHFFFAOYSA-N 2 1 418.651 3.661 20 0 HHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000514019995 1005230902 /nfs/dbraw/zinc/23/09/02/1005230902.db2.gz KHUFPEWNTMJWOX-MSOLQXFVSA-N 2 1 407.002 3.724 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[NH+]1CCCC1 ZINC000502863939 1005249091 /nfs/dbraw/zinc/24/90/91/1005249091.db2.gz SFMRPCIGEBGTGO-RBBKRZOGSA-N 2 1 416.610 3.643 20 0 HHADMP CC[N@H+](Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCC[C@@H]3C(N)=O)c2)cc1)C(C)C ZINC000511627803 1005251329 /nfs/dbraw/zinc/25/13/29/1005251329.db2.gz RMHNPQUQHIMDBC-HSZRJFAPSA-N 2 1 422.573 3.619 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCC[C@@H]3C(N)=O)c2)cc1)C(C)C ZINC000511627803 1005251335 /nfs/dbraw/zinc/25/13/35/1005251335.db2.gz RMHNPQUQHIMDBC-HSZRJFAPSA-N 2 1 422.573 3.619 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)cc1)C(C)C ZINC000511627803 1005251339 /nfs/dbraw/zinc/25/13/39/1005251339.db2.gz RMHNPQUQHIMDBC-HSZRJFAPSA-N 2 1 422.573 3.619 20 0 HHADMP CC[NH+](Cc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)cc1)C(C)C ZINC000511627803 1005251344 /nfs/dbraw/zinc/25/13/44/1005251344.db2.gz RMHNPQUQHIMDBC-HSZRJFAPSA-N 2 1 422.573 3.619 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000502892162 1005262489 /nfs/dbraw/zinc/26/24/89/1005262489.db2.gz BKAQLEVEVCPWDM-OAQYLSRUSA-N 2 1 400.611 3.984 20 0 HHADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2csc(-c3cccs3)n2)CC1 ZINC000511669369 1005269122 /nfs/dbraw/zinc/26/91/22/1005269122.db2.gz BIGMCIMPIJLYPZ-UHFFFAOYSA-N 2 1 420.648 3.788 20 0 HHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000514177028 1005299779 /nfs/dbraw/zinc/29/97/79/1005299779.db2.gz ZWHMTXZXSNQEHS-RTWAWAEBSA-N 2 1 412.603 3.534 20 0 HHADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000514177028 1005299783 /nfs/dbraw/zinc/29/97/83/1005299783.db2.gz ZWHMTXZXSNQEHS-RTWAWAEBSA-N 2 1 412.603 3.534 20 0 HHADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000514177028 1005299786 /nfs/dbraw/zinc/29/97/86/1005299786.db2.gz ZWHMTXZXSNQEHS-RTWAWAEBSA-N 2 1 412.603 3.534 20 0 HHADMP CCCN(C(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000514181338 1005300724 /nfs/dbraw/zinc/30/07/24/1005300724.db2.gz BLIHFYUXIDWZHQ-HSZRJFAPSA-N 2 1 400.611 3.945 20 0 HHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000514233595 1005324752 /nfs/dbraw/zinc/32/47/52/1005324752.db2.gz CCEPOAZYDKDEGB-XMMPIXPASA-N 2 1 403.526 3.517 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000514238510 1005327196 /nfs/dbraw/zinc/32/71/96/1005327196.db2.gz FDOZKLJRXDIEMV-BEZYRKKYSA-N 2 1 405.586 3.895 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1F ZINC000514239742 1005327564 /nfs/dbraw/zinc/32/75/64/1005327564.db2.gz RCXFUJLRJSNJBM-UHFFFAOYSA-N 2 1 421.520 3.567 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1F ZINC000514239742 1005327569 /nfs/dbraw/zinc/32/75/69/1005327569.db2.gz RCXFUJLRJSNJBM-UHFFFAOYSA-N 2 1 421.520 3.567 20 0 HHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000503402256 1005409284 /nfs/dbraw/zinc/40/92/84/1005409284.db2.gz SPYPVHOJTAMQSM-RPWUZVMVSA-N 2 1 412.622 3.805 20 0 HHADMP CC(C)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000503462720 1005427734 /nfs/dbraw/zinc/42/77/34/1005427734.db2.gz BHZLPXYWFXNTPC-BJKOFHAPSA-N 2 1 414.638 3.751 20 0 HHADMP C/C(=C/c1ccccc1C(F)(F)F)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000503937404 1005515535 /nfs/dbraw/zinc/51/55/35/1005515535.db2.gz NBPIYSIQOGLPNV-SDXDJHTJSA-N 2 1 423.523 3.985 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(CC[NH+](C)C)Cc3ccccn3)cc2)C1 ZINC000504398952 1005618734 /nfs/dbraw/zinc/61/87/34/1005618734.db2.gz KQIYNFHCRKNPLX-OAQYLSRUSA-N 2 1 423.605 3.587 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)[NH+]1CCCC1 ZINC000514439093 1005991741 /nfs/dbraw/zinc/99/17/41/1005991741.db2.gz ZJDKZEREVNCLCB-DHIUTWEWSA-N 2 1 422.573 3.530 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)[NH+]1CCCC1 ZINC000514439093 1005991746 /nfs/dbraw/zinc/99/17/46/1005991746.db2.gz ZJDKZEREVNCLCB-DHIUTWEWSA-N 2 1 422.573 3.530 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000534055143 1006024858 /nfs/dbraw/zinc/02/48/58/1006024858.db2.gz RXWAPBBHCBLSND-NHCUHLMSSA-N 2 1 407.002 3.897 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000534055143 1006024870 /nfs/dbraw/zinc/02/48/70/1006024870.db2.gz RXWAPBBHCBLSND-NHCUHLMSSA-N 2 1 407.002 3.897 20 0 HHADMP COc1cccc(CN(C)C(=O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000534228279 1006225759 /nfs/dbraw/zinc/22/57/59/1006225759.db2.gz IKYDJVMHLLFRAA-UHFFFAOYSA-N 2 1 421.585 3.642 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000534238603 1006244474 /nfs/dbraw/zinc/24/44/74/1006244474.db2.gz LAJUDGRPZPAOFG-LJQANCHMSA-N 2 1 412.553 3.693 20 0 HHADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000534249473 1006257342 /nfs/dbraw/zinc/25/73/42/1006257342.db2.gz GOZOVGTZNYGPOW-VXKWHMMOSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534249473 1006257347 /nfs/dbraw/zinc/25/73/47/1006257347.db2.gz GOZOVGTZNYGPOW-VXKWHMMOSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534249473 1006257352 /nfs/dbraw/zinc/25/73/52/1006257352.db2.gz GOZOVGTZNYGPOW-VXKWHMMOSA-N 2 1 412.622 3.805 20 0 HHADMP C[N@H+]1CC[C@@H](CNC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534251448 1006259855 /nfs/dbraw/zinc/25/98/55/1006259855.db2.gz OXDIIVIGFVYYBF-KJNZLNQQSA-N 2 1 422.976 3.598 20 0 HHADMP C[NH+]1CC[C@@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534251448 1006259861 /nfs/dbraw/zinc/25/98/61/1006259861.db2.gz OXDIIVIGFVYYBF-KJNZLNQQSA-N 2 1 422.976 3.598 20 0 HHADMP C[NH+]1CC[C@@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534251448 1006259868 /nfs/dbraw/zinc/25/98/68/1006259868.db2.gz OXDIIVIGFVYYBF-KJNZLNQQSA-N 2 1 422.976 3.598 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccc(Cl)c(F)c1 ZINC000534329343 1006302199 /nfs/dbraw/zinc/30/21/99/1006302199.db2.gz LOAHUFKTTVDJIL-MRXNPFEDSA-N 2 1 419.928 3.991 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000531621023 1006310565 /nfs/dbraw/zinc/31/05/65/1006310565.db2.gz XUSPRESCOHSXHB-PEARBKPGSA-N 2 1 420.601 3.566 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000531621023 1006310574 /nfs/dbraw/zinc/31/05/74/1006310574.db2.gz XUSPRESCOHSXHB-PEARBKPGSA-N 2 1 420.601 3.566 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000531621023 1006310589 /nfs/dbraw/zinc/31/05/89/1006310589.db2.gz XUSPRESCOHSXHB-PEARBKPGSA-N 2 1 420.601 3.566 20 0 HHADMP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1OCc1ccccc1 ZINC000531759438 1006403521 /nfs/dbraw/zinc/40/35/21/1006403521.db2.gz RAPIRMHDEDVQMF-DHIUTWEWSA-N 2 1 410.558 3.742 20 0 HHADMP Clc1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)ccc1OCCN1CCOCC1 ZINC000531836031 1006459677 /nfs/dbraw/zinc/45/96/77/1006459677.db2.gz IXOKQCWSSKIOMH-UHFFFAOYSA-N 2 1 422.013 3.548 20 0 HHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000515517461 1006510257 /nfs/dbraw/zinc/51/02/57/1006510257.db2.gz RNYWMPQJZXPYGM-MOPGFXCFSA-N 2 1 423.557 3.949 20 0 HHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](c3ccccc3)C(C)C)CC2)cc1 ZINC000538360484 1006630041 /nfs/dbraw/zinc/63/00/41/1006630041.db2.gz OHMJHQWJNXGAKE-VWLOTQADSA-N 2 1 409.574 3.716 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](c3ccccc3)C(C)C)CC2)cc1 ZINC000538360484 1006630047 /nfs/dbraw/zinc/63/00/47/1006630047.db2.gz OHMJHQWJNXGAKE-VWLOTQADSA-N 2 1 409.574 3.716 20 0 HHADMP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCCCN3CC[NH+](C)CC3)s2)cc1 ZINC000532195220 1006712625 /nfs/dbraw/zinc/71/26/25/1006712625.db2.gz QBCLLDUWSPSNJO-KRWDZBQOSA-N 2 1 402.608 3.805 20 0 HHADMP C[C@H]1CN([C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)c2c(F)cccc2Cl)CCO1 ZINC000532202237 1006718027 /nfs/dbraw/zinc/71/80/27/1006718027.db2.gz NFIOUTMXOQLRTG-KKSFZXQISA-N 2 1 409.977 3.705 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000538590760 1006857930 /nfs/dbraw/zinc/85/79/30/1006857930.db2.gz RVYHPXMLOFMHDP-YKSBVNFPSA-N 2 1 407.606 3.935 20 0 HHADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000532442217 1006885435 /nfs/dbraw/zinc/88/54/35/1006885435.db2.gz KTHIYTJCSGKWHA-OXQOHEQNSA-N 2 1 412.603 3.617 20 0 HHADMP C[NH+]1CCN([C@@H](C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)c2cccs2)CC1 ZINC000532442872 1006886636 /nfs/dbraw/zinc/88/66/36/1006886636.db2.gz YOPNFEVMEUKCRA-NRFANRHFSA-N 2 1 420.573 3.573 20 0 HHADMP CC1CC[NH+](Cc2ccc(NC(=O)c3cc4c(nc[nH+]c4N(C)C)n3C)cc2)CC1 ZINC000538685152 1006966351 /nfs/dbraw/zinc/96/63/51/1006966351.db2.gz SNOLFFXUNFYINA-UHFFFAOYSA-N 2 1 406.534 3.519 20 0 HHADMP C[C@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000538723147 1006998171 /nfs/dbraw/zinc/99/81/71/1006998171.db2.gz LTQFEOQCUGRVQZ-URXFXBBRSA-N 2 1 423.649 3.687 20 0 HHADMP C[C@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000538723147 1006998182 /nfs/dbraw/zinc/99/81/82/1006998182.db2.gz LTQFEOQCUGRVQZ-URXFXBBRSA-N 2 1 423.649 3.687 20 0 HHADMP C[C@@H]1C[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000538723852 1006999792 /nfs/dbraw/zinc/99/97/92/1006999792.db2.gz DETVECICVDPUJH-NLFFAJNJSA-N 2 1 411.565 3.863 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000538723852 1006999800 /nfs/dbraw/zinc/99/98/00/1006999800.db2.gz DETVECICVDPUJH-NLFFAJNJSA-N 2 1 411.565 3.863 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cc(Cl)c4c(c3)OCCO4)CC2)CC1 ZINC000538724108 1007002234 /nfs/dbraw/zinc/00/22/34/1007002234.db2.gz RUWAPDJOSCUNGW-UHFFFAOYSA-N 2 1 422.013 3.739 20 0 HHADMP CCC[N@H+](Cc1ccc(N2CCCC2)nc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000538725578 1007003207 /nfs/dbraw/zinc/00/32/07/1007003207.db2.gz GSBWPNVVSZHODQ-UHFFFAOYSA-N 2 1 408.594 3.970 20 0 HHADMP CCC[N@@H+](Cc1ccc(N2CCCC2)nc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000538725578 1007003219 /nfs/dbraw/zinc/00/32/19/1007003219.db2.gz GSBWPNVVSZHODQ-UHFFFAOYSA-N 2 1 408.594 3.970 20 0 HHADMP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1ccccc1C(=O)c1ccccc1 ZINC000532572302 1007004451 /nfs/dbraw/zinc/00/44/51/1007004451.db2.gz AOMXXWDRNALKMA-HXUWFJFHSA-N 2 1 405.542 3.664 20 0 HHADMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1ccccc1C(=O)c1ccccc1 ZINC000532572302 1007004464 /nfs/dbraw/zinc/00/44/64/1007004464.db2.gz AOMXXWDRNALKMA-HXUWFJFHSA-N 2 1 405.542 3.664 20 0 HHADMP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000538731928 1007012940 /nfs/dbraw/zinc/01/29/40/1007012940.db2.gz YZQKMAZHPBOZOK-UHFFFAOYSA-N 2 1 413.610 3.518 20 0 HHADMP C[C@H](C(=O)NCc1ccccc1F)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534963746 1007014395 /nfs/dbraw/zinc/01/43/95/1007014395.db2.gz KDXPWBFUWBKPEX-HXUWFJFHSA-N 2 1 409.549 3.819 20 0 HHADMP O=C(CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)N1CCc2ccccc21 ZINC000534967722 1007022260 /nfs/dbraw/zinc/02/22/60/1007022260.db2.gz YXNQADYEVJSWJL-UHFFFAOYSA-N 2 1 403.570 3.954 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000534969826 1007025077 /nfs/dbraw/zinc/02/50/77/1007025077.db2.gz AQDVLZXSWXFOEP-OAQYLSRUSA-N 2 1 412.553 3.551 20 0 HHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)C1 ZINC000538750844 1007035869 /nfs/dbraw/zinc/03/58/69/1007035869.db2.gz BQZOICIWMPMBAP-LJQANCHMSA-N 2 1 406.521 3.700 20 0 HHADMP CC(C)[NH+](CCNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C(C)C ZINC000534986074 1007044448 /nfs/dbraw/zinc/04/44/48/1007044448.db2.gz QWUQLYYDHYWKOP-UHFFFAOYSA-N 2 1 400.611 3.803 20 0 HHADMP C[NH+]1CCN([C@H](C[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)c2cccs2)CC1 ZINC000516373179 1007048199 /nfs/dbraw/zinc/04/81/99/1007048199.db2.gz TUAOCNPORGCAFW-STZQEDGTSA-N 2 1 417.594 3.933 20 0 HHADMP Cn1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c(-c2cccnc2)n1 ZINC000538763044 1007049192 /nfs/dbraw/zinc/04/91/92/1007049192.db2.gz BHZLRDTZKVDWJF-UHFFFAOYSA-N 2 1 401.558 3.970 20 0 HHADMP C[NH+](C)Cc1ccc(CNC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)cc1F ZINC000534995194 1007055887 /nfs/dbraw/zinc/05/58/87/1007055887.db2.gz PJEMLSCUWLVOPY-UHFFFAOYSA-N 2 1 400.542 3.597 20 0 HHADMP C[C@H]1CCC[C@H](OCCCCCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1 ZINC000535036837 1007075320 /nfs/dbraw/zinc/07/53/20/1007075320.db2.gz CHUQUESBRBYDJB-PMACEKPBSA-N 2 1 402.583 3.928 20 0 HHADMP C[C@H]1CCC[C@@H](OCCCCCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1 ZINC000535036861 1007076100 /nfs/dbraw/zinc/07/61/00/1007076100.db2.gz CHUQUESBRBYDJB-VQTJNVASSA-N 2 1 402.583 3.928 20 0 HHADMP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000532812241 1007196880 /nfs/dbraw/zinc/19/68/80/1007196880.db2.gz YJKFBAAPCZGAGO-UHFFFAOYSA-N 2 1 424.589 3.593 20 0 HHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000532812241 1007196885 /nfs/dbraw/zinc/19/68/85/1007196885.db2.gz YJKFBAAPCZGAGO-UHFFFAOYSA-N 2 1 424.589 3.593 20 0 HHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000535181588 1007227591 /nfs/dbraw/zinc/22/75/91/1007227591.db2.gz MLRHASKSTYBFRI-RDPSFJRHSA-N 2 1 412.622 3.934 20 0 HHADMP C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538945594 1007230597 /nfs/dbraw/zinc/23/05/97/1007230597.db2.gz QISVLFJDDCJVRW-INIZCTEOSA-N 2 1 401.942 3.696 20 0 HHADMP C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538947209 1007232674 /nfs/dbraw/zinc/23/26/74/1007232674.db2.gz YZWBDKKPUNTUSG-GOSISDBHSA-N 2 1 412.603 3.655 20 0 HHADMP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)CC1 ZINC000535269485 1007320021 /nfs/dbraw/zinc/32/00/21/1007320021.db2.gz KVHFGCKEMKLCAM-DEOSSOPVSA-N 2 1 406.574 3.727 20 0 HHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)CC1 ZINC000535269485 1007320036 /nfs/dbraw/zinc/32/00/36/1007320036.db2.gz KVHFGCKEMKLCAM-DEOSSOPVSA-N 2 1 406.574 3.727 20 0 HHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000535269485 1007320050 /nfs/dbraw/zinc/32/00/50/1007320050.db2.gz KVHFGCKEMKLCAM-DEOSSOPVSA-N 2 1 406.574 3.727 20 0 HHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000535269485 1007320063 /nfs/dbraw/zinc/32/00/63/1007320063.db2.gz KVHFGCKEMKLCAM-DEOSSOPVSA-N 2 1 406.574 3.727 20 0 HHADMP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000535294552 1007345729 /nfs/dbraw/zinc/34/57/29/1007345729.db2.gz NJOPFFPGVDGCPS-XUZZJYLKSA-N 2 1 406.574 3.727 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000535294552 1007345738 /nfs/dbraw/zinc/34/57/38/1007345738.db2.gz NJOPFFPGVDGCPS-XUZZJYLKSA-N 2 1 406.574 3.727 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000535294552 1007345756 /nfs/dbraw/zinc/34/57/56/1007345756.db2.gz NJOPFFPGVDGCPS-XUZZJYLKSA-N 2 1 406.574 3.727 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000535294552 1007345764 /nfs/dbraw/zinc/34/57/64/1007345764.db2.gz NJOPFFPGVDGCPS-XUZZJYLKSA-N 2 1 406.574 3.727 20 0 HHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C2)CC1 ZINC000532986617 1007356918 /nfs/dbraw/zinc/35/69/18/1007356918.db2.gz KLRKRONVWXDQPW-XMMPIXPASA-N 2 1 406.574 3.539 20 0 HHADMP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000539072811 1007364413 /nfs/dbraw/zinc/36/44/13/1007364413.db2.gz UKPZFPOBMKUAIN-GBESFXJTSA-N 2 1 410.002 3.556 20 0 HHADMP C[C@@H]1CCC[C@](CNC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)([NH+](C)C)C1 ZINC000517089100 1007401043 /nfs/dbraw/zinc/40/10/43/1007401043.db2.gz FSMTWROGNFCKLG-XUJKJYMVSA-N 2 1 401.595 3.536 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)c1 ZINC000539217496 1007508487 /nfs/dbraw/zinc/50/84/87/1007508487.db2.gz LPZNTFQADURQON-XMMPIXPASA-N 2 1 411.521 3.727 20 0 HHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3ccc(-n4cncn4)cc3)cc2)C[C@H]1C ZINC000539224579 1007516536 /nfs/dbraw/zinc/51/65/36/1007516536.db2.gz BHQQDLKTQLXWOC-OYRHEFFESA-N 2 1 419.573 3.566 20 0 HHADMP CC[C@@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)c1ccc(OC)cc1 ZINC000539244471 1007538403 /nfs/dbraw/zinc/53/84/03/1007538403.db2.gz UGIJXBSIZDQETO-XMMPIXPASA-N 2 1 409.574 3.779 20 0 HHADMP C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000533240534 1007560419 /nfs/dbraw/zinc/56/04/19/1007560419.db2.gz YAIQYAXGVSFBAY-NRFANRHFSA-N 2 1 421.585 3.649 20 0 HHADMP COc1ccccc1[C@H]1CC[N@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000533288810 1007601334 /nfs/dbraw/zinc/60/13/34/1007601334.db2.gz CGYSAJRZGXKONQ-IRLDBZIGSA-N 2 1 421.585 3.654 20 0 HHADMP CCC[NH+]1CCC([N@H+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)CC1 ZINC000533310320 1007626162 /nfs/dbraw/zinc/62/61/62/1007626162.db2.gz LJFLKKDMDPHKRJ-HNNXBMFYSA-N 2 1 401.624 3.747 20 0 HHADMP CCC[NH+]1CCC([N@@H+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)CC1 ZINC000533310320 1007626168 /nfs/dbraw/zinc/62/61/68/1007626168.db2.gz LJFLKKDMDPHKRJ-HNNXBMFYSA-N 2 1 401.624 3.747 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)Nc3cccc(CC[N@@H+](C)C4CC4)c3)CC2)cs1 ZINC000539332093 1007632012 /nfs/dbraw/zinc/63/20/12/1007632012.db2.gz ZLSMLRTUHHIZLN-UHFFFAOYSA-N 2 1 412.603 3.939 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)Nc3cccc(CC[N@H+](C)C4CC4)c3)CC2)cs1 ZINC000539332093 1007632014 /nfs/dbraw/zinc/63/20/14/1007632014.db2.gz ZLSMLRTUHHIZLN-UHFFFAOYSA-N 2 1 412.603 3.939 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(N2CCCC2)c1 ZINC000539377102 1007682189 /nfs/dbraw/zinc/68/21/89/1007682189.db2.gz LAHZGGCVPVMQHA-DPLHUUCSSA-N 2 1 420.601 3.717 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3c(C4CC4)nc4sccn34)CC2)C[C@H](C)O1 ZINC000539408074 1007715409 /nfs/dbraw/zinc/71/54/09/1007715409.db2.gz SXIIWMFAYFXYPC-CALCHBBNSA-N 2 1 402.608 3.985 20 0 HHADMP C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000533416075 1007723355 /nfs/dbraw/zinc/72/33/55/1007723355.db2.gz GZWCPMSEAOHRKL-ZCNNSNEGSA-N 2 1 409.574 3.988 20 0 HHADMP C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000533416075 1007723366 /nfs/dbraw/zinc/72/33/66/1007723366.db2.gz GZWCPMSEAOHRKL-ZCNNSNEGSA-N 2 1 409.574 3.988 20 0 HHADMP C[NH+](C)CCOc1ccccc1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535696647 1007732149 /nfs/dbraw/zinc/73/21/49/1007732149.db2.gz NUERXBULYIPSSB-UHFFFAOYSA-N 2 1 421.585 3.755 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccccc1 ZINC000517526306 1007745832 /nfs/dbraw/zinc/74/58/32/1007745832.db2.gz ZQZHAMGNNKAEJS-JOCHJYFZSA-N 2 1 416.516 3.531 20 0 HHADMP CCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000533439509 1007755578 /nfs/dbraw/zinc/75/55/78/1007755578.db2.gz OBKNMUDKIBCGIG-VXKWHMMOSA-N 2 1 405.627 3.569 20 0 HHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)C2)CC1 ZINC000533445571 1007760321 /nfs/dbraw/zinc/76/03/21/1007760321.db2.gz ODWMMCLSFJELMY-JTHBVZDNSA-N 2 1 420.601 3.781 20 0 HHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)C2)CC1 ZINC000533445571 1007760337 /nfs/dbraw/zinc/76/03/37/1007760337.db2.gz ODWMMCLSFJELMY-JTHBVZDNSA-N 2 1 420.601 3.781 20 0 HHADMP C[NH+]1Cc2ccccc2[C@@H](Nc2cc(N[C@@H]3C[N@H+](C)Cc4ccccc43)ncn2)C1 ZINC000535739434 1007767430 /nfs/dbraw/zinc/76/74/30/1007767430.db2.gz HKUXUNLAPFMWQD-SZPZYZBQSA-N 2 1 400.530 3.674 20 0 HHADMP C[NH+]1Cc2ccccc2[C@H](Nc2cc(N[C@H]3C[N@H+](C)Cc4ccccc43)ncn2)C1 ZINC000535739434 1007767434 /nfs/dbraw/zinc/76/74/34/1007767434.db2.gz HKUXUNLAPFMWQD-SZPZYZBQSA-N 2 1 400.530 3.674 20 0 HHADMP C[NH+]1Cc2ccccc2[C@H](Nc2cc(N[C@H]3C[N@@H+](C)Cc4ccccc43)ncn2)C1 ZINC000535739434 1007767439 /nfs/dbraw/zinc/76/74/39/1007767439.db2.gz HKUXUNLAPFMWQD-SZPZYZBQSA-N 2 1 400.530 3.674 20 0 HHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)c2)cc1 ZINC000535806097 1007815921 /nfs/dbraw/zinc/81/59/21/1007815921.db2.gz FBHYCOPXKCNSGS-QPTUXGOLSA-N 2 1 423.557 3.631 20 0 HHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)c2)cc1 ZINC000535806097 1007815935 /nfs/dbraw/zinc/81/59/35/1007815935.db2.gz FBHYCOPXKCNSGS-QPTUXGOLSA-N 2 1 423.557 3.631 20 0 HHADMP Cc1nc2c(s1)[C@H]([N@H+](C)CC(=O)NCc1ccc(C[NH+]3CCCC3)cc1)CCC2 ZINC000533522600 1007842805 /nfs/dbraw/zinc/84/28/05/1007842805.db2.gz IUAHJFCYVDCFSK-OAQYLSRUSA-N 2 1 412.603 3.673 20 0 HHADMP Cc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)NCc1ccc(C[NH+]3CCCC3)cc1)CCC2 ZINC000533522600 1007842811 /nfs/dbraw/zinc/84/28/11/1007842811.db2.gz IUAHJFCYVDCFSK-OAQYLSRUSA-N 2 1 412.603 3.673 20 0 HHADMP COc1cccc(C2=CC[N@H+](CC(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CC2)c1 ZINC000533529484 1007850763 /nfs/dbraw/zinc/85/07/63/1007850763.db2.gz QVQXRNMRKJKHSV-UHFFFAOYSA-N 2 1 419.569 3.697 20 0 HHADMP COc1cccc(C2=CC[N@@H+](CC(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CC2)c1 ZINC000533529484 1007850773 /nfs/dbraw/zinc/85/07/73/1007850773.db2.gz QVQXRNMRKJKHSV-UHFFFAOYSA-N 2 1 419.569 3.697 20 0 HHADMP Cc1cccc(NC2CC[NH+](CC(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CC2)c1 ZINC000533532422 1007852987 /nfs/dbraw/zinc/85/29/87/1007852987.db2.gz DEIOUZQYXPNJLA-UHFFFAOYSA-N 2 1 420.601 3.784 20 0 HHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(Br)ccc2Cl)CC1 ZINC000517651101 1007863926 /nfs/dbraw/zinc/86/39/26/1007863926.db2.gz VIOSZWRQFOXHNQ-UHFFFAOYSA-N 2 1 409.715 3.502 20 0 HHADMP O=C1[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000539682381 1008001485 /nfs/dbraw/zinc/00/14/85/1008001485.db2.gz NECHGMIXUOVNDA-HXUWFJFHSA-N 2 1 409.496 3.660 20 0 HHADMP CCOCCC[N@H+]1CC[C@H](Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)[C@@H](C)C1 ZINC000539690434 1008009374 /nfs/dbraw/zinc/00/93/74/1008009374.db2.gz QEQDGUGQCYXXQU-CIEVZJJWSA-N 2 1 403.611 3.845 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NCC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539763769 1008078403 /nfs/dbraw/zinc/07/84/03/1008078403.db2.gz YKTAZZGIAXSCRC-WOJBJXKFSA-N 2 1 410.965 3.644 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NCC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539763769 1008078405 /nfs/dbraw/zinc/07/84/05/1008078405.db2.gz YKTAZZGIAXSCRC-WOJBJXKFSA-N 2 1 410.965 3.644 20 0 HHADMP COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1OCCC(C)C ZINC000539823187 1008117213 /nfs/dbraw/zinc/11/72/13/1008117213.db2.gz UCSDVHLHPLMUBZ-UNMCSNQZSA-N 2 1 403.611 3.578 20 0 HHADMP COc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1OCCC(C)C ZINC000539823187 1008117216 /nfs/dbraw/zinc/11/72/16/1008117216.db2.gz UCSDVHLHPLMUBZ-UNMCSNQZSA-N 2 1 403.611 3.578 20 0 HHADMP COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1OCCC(C)C ZINC000539823184 1008117263 /nfs/dbraw/zinc/11/72/63/1008117263.db2.gz UCSDVHLHPLMUBZ-IFMALSPDSA-N 2 1 403.611 3.578 20 0 HHADMP COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1OCCC(C)C ZINC000539823184 1008117266 /nfs/dbraw/zinc/11/72/66/1008117266.db2.gz UCSDVHLHPLMUBZ-IFMALSPDSA-N 2 1 403.611 3.578 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000536095650 1008118200 /nfs/dbraw/zinc/11/82/00/1008118200.db2.gz MWWPXYXJIVUHCX-ZEQRLZLVSA-N 2 1 406.574 3.704 20 0 HHADMP C[N@H+]1CC[C@@H](NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)[C@H]1c1ccccc1 ZINC000533893434 1008187165 /nfs/dbraw/zinc/18/71/65/1008187165.db2.gz WMZXCTFGGUXMOZ-FGZHOGPDSA-N 2 1 412.603 3.705 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[NH+]1CCCC1 ZINC000533958643 1008233573 /nfs/dbraw/zinc/23/35/73/1008233573.db2.gz ZJNQDZAVJJXING-AOHZBQACSA-N 2 1 422.573 3.577 20 0 HHADMP Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540043814 1008253765 /nfs/dbraw/zinc/25/37/65/1008253765.db2.gz GKTBZLCASJXNNW-NRFANRHFSA-N 2 1 408.590 3.676 20 0 HHADMP Cc1cc2ncn(C[C@@H](O)C[N@@H+](C)CCC3CCN(c4cc[nH+]cc4)CC3)c2cc1C ZINC000540046874 1008256276 /nfs/dbraw/zinc/25/62/76/1008256276.db2.gz GBPJYPGGNIDWLS-QHCPKHFHSA-N 2 1 421.589 3.648 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000518407500 1008292522 /nfs/dbraw/zinc/29/25/22/1008292522.db2.gz XZNAGUJLGQVTRD-OYRHEFFESA-N 2 1 414.638 3.749 20 0 HHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CC(=O)N(C)[C@@H]3c3ccc(F)c(F)c3)CC2)C1 ZINC000540141857 1008309401 /nfs/dbraw/zinc/30/94/01/1008309401.db2.gz VARMALGSQVPGGL-POMJBAHNSA-N 2 1 405.533 3.869 20 0 HHADMP CC(C)Oc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000540327946 1008381852 /nfs/dbraw/zinc/38/18/52/1008381852.db2.gz YNVFZUHEVAFWLJ-SXWKCWPCSA-N 2 1 409.574 3.904 20 0 HHADMP CC(C)[N@@H+](Cc1ccc(NC(=O)C[NH+](C)[C@H]2CCSC2)cc1)C[C@@H]1CCCCO1 ZINC000540421698 1008426251 /nfs/dbraw/zinc/42/62/51/1008426251.db2.gz HQWXHPKCOJGVCW-VXKWHMMOSA-N 2 1 419.635 3.842 20 0 HHADMP CC(C)[N@H+](Cc1ccc(NC(=O)C[NH+](C)[C@H]2CCSC2)cc1)C[C@@H]1CCCCO1 ZINC000540421698 1008426254 /nfs/dbraw/zinc/42/62/54/1008426254.db2.gz HQWXHPKCOJGVCW-VXKWHMMOSA-N 2 1 419.635 3.842 20 0 HHADMP CC(C)[NH+](Cc1ccc(NC(=O)C[N@H+](C)[C@H]2CCSC2)cc1)C[C@@H]1CCCCO1 ZINC000540421698 1008426260 /nfs/dbraw/zinc/42/62/60/1008426260.db2.gz HQWXHPKCOJGVCW-VXKWHMMOSA-N 2 1 419.635 3.842 20 0 HHADMP CC(C)[NH+](Cc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCSC2)cc1)C[C@@H]1CCCCO1 ZINC000540421698 1008426264 /nfs/dbraw/zinc/42/62/64/1008426264.db2.gz HQWXHPKCOJGVCW-VXKWHMMOSA-N 2 1 419.635 3.842 20 0 HHADMP CC(C)[N@H+](Cc1ccc(NC(=O)NCc2ccc(N)nc2)cc1)C[C@H]1CCCCO1 ZINC000548984625 1008562138 /nfs/dbraw/zinc/56/21/38/1008562138.db2.gz TWXYOOOAQWBSIR-OAQYLSRUSA-N 2 1 411.550 3.765 20 0 HHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000549054743 1008621129 /nfs/dbraw/zinc/62/11/29/1008621129.db2.gz NBCFDHIJNHWOAK-PZUNEJSGSA-N 2 1 420.601 3.684 20 0 HHADMP CC(C)[NH+]1CC[C@H](CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000549054743 1008621139 /nfs/dbraw/zinc/62/11/39/1008621139.db2.gz NBCFDHIJNHWOAK-PZUNEJSGSA-N 2 1 420.601 3.684 20 0 HHADMP CC(C)[NH+]1CC[C@H](CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000549054743 1008621149 /nfs/dbraw/zinc/62/11/49/1008621149.db2.gz NBCFDHIJNHWOAK-PZUNEJSGSA-N 2 1 420.601 3.684 20 0 HHADMP CCC[N@H+]1CC[C@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000519293794 1008704717 /nfs/dbraw/zinc/70/47/17/1008704717.db2.gz QFYJXHKPWSOAID-LJQANCHMSA-N 2 1 407.002 3.583 20 0 HHADMP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000543152948 1008726245 /nfs/dbraw/zinc/72/62/45/1008726245.db2.gz QUEMXQGASMBAJK-LOSJGSFVSA-N 2 1 421.585 3.692 20 0 HHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000543152948 1008726261 /nfs/dbraw/zinc/72/62/61/1008726261.db2.gz QUEMXQGASMBAJK-LOSJGSFVSA-N 2 1 421.585 3.692 20 0 HHADMP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000519322425 1008730662 /nfs/dbraw/zinc/73/06/62/1008730662.db2.gz VVQFAXFSMFRPJU-FQEVSTJZSA-N 2 1 419.013 3.868 20 0 HHADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3)[C@@H]2c2cccc(OC)c2)CC1 ZINC000543190589 1008763869 /nfs/dbraw/zinc/76/38/69/1008763869.db2.gz UYSSWIRDEBVDFZ-AHWVRZQESA-N 2 1 421.585 3.826 20 0 HHADMP CC(C)(C)[N@H+]1CCCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC1 ZINC000549202928 1008776000 /nfs/dbraw/zinc/77/60/00/1008776000.db2.gz VLNYAJQDOOZFAQ-OAQYLSRUSA-N 2 1 400.611 3.803 20 0 HHADMP CC(C)(C)[NH+]1CCCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000549202928 1008776010 /nfs/dbraw/zinc/77/60/10/1008776010.db2.gz VLNYAJQDOOZFAQ-OAQYLSRUSA-N 2 1 400.611 3.803 20 0 HHADMP CC(C)(C)[NH+]1CCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000549202928 1008776020 /nfs/dbraw/zinc/77/60/20/1008776020.db2.gz VLNYAJQDOOZFAQ-OAQYLSRUSA-N 2 1 400.611 3.803 20 0 HHADMP C[NH+]1CCC([NH+]2CCC(Nc3ncnc4cc(F)c(Br)cc43)CC2)CC1 ZINC000545866601 1008954938 /nfs/dbraw/zinc/95/49/38/1008954938.db2.gz DUEXPKPRKXVBPI-UHFFFAOYSA-N 2 1 422.346 3.502 20 0 HHADMP COC(=O)CCCN1CCC([NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000545913006 1008993637 /nfs/dbraw/zinc/99/36/37/1008993637.db2.gz LUCKXPUWBVQODW-FQEVSTJZSA-N 2 1 401.595 3.568 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000546009503 1009045482 /nfs/dbraw/zinc/04/54/82/1009045482.db2.gz VNRGZERECAETDG-GOSISDBHSA-N 2 1 414.516 3.824 20 0 HHADMP CC[C@H]([NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1nc(C)cs1 ZINC000543486038 1009075086 /nfs/dbraw/zinc/07/50/86/1009075086.db2.gz RMIUUDLQVQKOCG-XLIONFOSSA-N 2 1 400.592 3.662 20 0 HHADMP CCc1sc(-c2nnc(C[NH+]3CCC(C)(C[NH+]4CCN(C)CC4)CC3)o2)cc1C ZINC000543521775 1009114109 /nfs/dbraw/zinc/11/41/09/1009114109.db2.gz GWRDFQMPRIOEED-UHFFFAOYSA-N 2 1 417.623 3.518 20 0 HHADMP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)CCCC[NH+]2CCOCC2)cc1 ZINC000549527587 1009137069 /nfs/dbraw/zinc/13/70/69/1009137069.db2.gz VZMJWCMPLVYVRI-UHFFFAOYSA-N 2 1 409.574 3.534 20 0 HHADMP CCN(C(=O)C1CCN(c2cc[nH+]cc2C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546183020 1009213038 /nfs/dbraw/zinc/21/30/38/1009213038.db2.gz SDJACIPILOZDCT-HSZRJFAPSA-N 2 1 406.574 3.729 20 0 HHADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000543643172 1009247343 /nfs/dbraw/zinc/24/73/43/1009247343.db2.gz ZAEJAZSNEHXYGI-UXHICEINSA-N 2 1 400.611 3.933 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000543687872 1009296234 /nfs/dbraw/zinc/29/62/34/1009296234.db2.gz PAEXTKSNIWRNKC-NPFVIJTESA-N 2 1 422.564 3.860 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000543687872 1009296243 /nfs/dbraw/zinc/29/62/43/1009296243.db2.gz PAEXTKSNIWRNKC-NPFVIJTESA-N 2 1 422.564 3.860 20 0 HHADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CCO1 ZINC000549867944 1009487865 /nfs/dbraw/zinc/48/78/65/1009487865.db2.gz JFBPICAYHPPYCC-UFYCRDLUSA-N 2 1 412.496 3.615 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000520379880 1009516461 /nfs/dbraw/zinc/51/64/61/1009516461.db2.gz SDYALGZFWNQXNK-OAQYLSRUSA-N 2 1 406.574 3.567 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000520379880 1009516480 /nfs/dbraw/zinc/51/64/80/1009516480.db2.gz SDYALGZFWNQXNK-OAQYLSRUSA-N 2 1 406.574 3.567 20 0 HHADMP COc1cccc(C[C@H]2CCC[N@H+]2CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000549918918 1009537017 /nfs/dbraw/zinc/53/70/17/1009537017.db2.gz BYRUMWRZBQBNMY-XMMPIXPASA-N 2 1 421.585 3.614 20 0 HHADMP Cc1csc(C2([NH2+][C@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CCC2)n1 ZINC000546592989 1009619220 /nfs/dbraw/zinc/61/92/20/1009619220.db2.gz PUOPNAMNXQUTCO-GOSISDBHSA-N 2 1 412.603 3.590 20 0 HHADMP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)c2ccccc2)CC1 ZINC000546613796 1009629617 /nfs/dbraw/zinc/62/96/17/1009629617.db2.gz RZHAUWDUAFNHDC-QHCPKHFHSA-N 2 1 409.574 3.720 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000544040038 1009641702 /nfs/dbraw/zinc/64/17/02/1009641702.db2.gz TXYXZIUXUQOLQY-RBUKOAKNSA-N 2 1 414.594 3.710 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)C1 ZINC000520613710 1009690179 /nfs/dbraw/zinc/69/01/79/1009690179.db2.gz BOUOQGQWFXFBBU-REWPJTCUSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000520613710 1009690196 /nfs/dbraw/zinc/69/01/96/1009690196.db2.gz BOUOQGQWFXFBBU-REWPJTCUSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000520613710 1009690203 /nfs/dbraw/zinc/69/02/03/1009690203.db2.gz BOUOQGQWFXFBBU-REWPJTCUSA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)C1 ZINC000520613707 1009690534 /nfs/dbraw/zinc/69/05/34/1009690534.db2.gz BOUOQGQWFXFBBU-NFBKMPQASA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000520613707 1009690549 /nfs/dbraw/zinc/69/05/49/1009690549.db2.gz BOUOQGQWFXFBBU-NFBKMPQASA-N 2 1 400.611 3.838 20 0 HHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000520613707 1009690561 /nfs/dbraw/zinc/69/05/61/1009690561.db2.gz BOUOQGQWFXFBBU-NFBKMPQASA-N 2 1 400.611 3.838 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000546715885 1009696988 /nfs/dbraw/zinc/69/69/88/1009696988.db2.gz DTTXHFHKAYSTFL-UXHICEINSA-N 2 1 420.479 3.794 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000546715885 1009696997 /nfs/dbraw/zinc/69/69/97/1009696997.db2.gz DTTXHFHKAYSTFL-UXHICEINSA-N 2 1 420.479 3.794 20 0 HHADMP C[C@H]([NH2+]CC(=O)NCC1(c2ccc(F)cc2)CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544421834 1010041857 /nfs/dbraw/zinc/04/18/57/1010041857.db2.gz YCUMSILOSVYRON-VQTJNVASSA-N 2 1 415.597 3.996 20 0 HHADMP C[C@H]([NH2+]CC(=O)NCC1(c2ccc(F)cc2)CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544421834 1010041868 /nfs/dbraw/zinc/04/18/68/1010041868.db2.gz YCUMSILOSVYRON-VQTJNVASSA-N 2 1 415.597 3.996 20 0 HHADMP Cc1cc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n(-c2ccc(C)cc2)n1 ZINC000544425235 1010047676 /nfs/dbraw/zinc/04/76/76/1010047676.db2.gz VAMOPRVCJHEAIF-UXHICEINSA-N 2 1 409.578 3.670 20 0 HHADMP Cc1cc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n(-c2ccc(C)cc2)n1 ZINC000544425235 1010047688 /nfs/dbraw/zinc/04/76/88/1010047688.db2.gz VAMOPRVCJHEAIF-UXHICEINSA-N 2 1 409.578 3.670 20 0 HHADMP COc1cccc(-c2nc(C[NH+]3CCC(C)(C[NH+]4CCN(C)CC4)CC3)cs2)c1 ZINC000544491160 1010115245 /nfs/dbraw/zinc/11/52/45/1010115245.db2.gz UJPTXZKQTBUASZ-UHFFFAOYSA-N 2 1 414.619 3.668 20 0 HHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)CC1 ZINC000550932780 1010265172 /nfs/dbraw/zinc/26/51/72/1010265172.db2.gz NIEAWPXDIJLFFU-WLXPTCNVSA-N 2 1 421.585 3.699 20 0 HHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000547426730 1010300007 /nfs/dbraw/zinc/30/00/07/1010300007.db2.gz KJBBCSSFCBKAJR-ZEQRLZLVSA-N 2 1 408.590 3.566 20 0 HHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000547426730 1010300016 /nfs/dbraw/zinc/30/00/16/1010300016.db2.gz KJBBCSSFCBKAJR-ZEQRLZLVSA-N 2 1 408.590 3.566 20 0 HHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000547426730 1010300029 /nfs/dbraw/zinc/30/00/29/1010300029.db2.gz KJBBCSSFCBKAJR-ZEQRLZLVSA-N 2 1 408.590 3.566 20 0 HHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000547426728 1010300285 /nfs/dbraw/zinc/30/02/85/1010300285.db2.gz KJBBCSSFCBKAJR-DNQXCXABSA-N 2 1 408.590 3.566 20 0 HHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000547426728 1010300298 /nfs/dbraw/zinc/30/02/98/1010300298.db2.gz KJBBCSSFCBKAJR-DNQXCXABSA-N 2 1 408.590 3.566 20 0 HHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000547426728 1010300317 /nfs/dbraw/zinc/30/03/17/1010300317.db2.gz KJBBCSSFCBKAJR-DNQXCXABSA-N 2 1 408.590 3.566 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC000521323084 1010305464 /nfs/dbraw/zinc/30/54/64/1010305464.db2.gz AZWYLHOUKAZQQN-PKTZIBPZSA-N 2 1 400.611 3.708 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000521323084 1010305480 /nfs/dbraw/zinc/30/54/80/1010305480.db2.gz AZWYLHOUKAZQQN-PKTZIBPZSA-N 2 1 400.611 3.708 20 0 HHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000521323084 1010305495 /nfs/dbraw/zinc/30/54/95/1010305495.db2.gz AZWYLHOUKAZQQN-PKTZIBPZSA-N 2 1 400.611 3.708 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547502906 1010329908 /nfs/dbraw/zinc/32/99/08/1010329908.db2.gz KUWQYYYJBIIIFB-GFKHSOBKSA-N 2 1 403.570 3.644 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547502907 1010330592 /nfs/dbraw/zinc/33/05/92/1010330592.db2.gz KUWQYYYJBIIIFB-WLXSAPIGSA-N 2 1 403.570 3.644 20 0 HHADMP Cc1nc2ccccn2c(=O)c1CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000551092685 1010361703 /nfs/dbraw/zinc/36/17/03/1010361703.db2.gz ACYALJMOCGXOQB-KNQAVFIVSA-N 2 1 404.558 3.530 20 0 HHADMP Cc1nc2ccccn2c(=O)c1CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000551092685 1010361717 /nfs/dbraw/zinc/36/17/17/1010361717.db2.gz ACYALJMOCGXOQB-KNQAVFIVSA-N 2 1 404.558 3.530 20 0 HHADMP Cc1nc2ccccn2c(=O)c1CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000551092685 1010361727 /nfs/dbraw/zinc/36/17/27/1010361727.db2.gz ACYALJMOCGXOQB-KNQAVFIVSA-N 2 1 404.558 3.530 20 0 HHADMP Cc1nc2ccccn2c(=O)c1CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000551092685 1010361738 /nfs/dbraw/zinc/36/17/38/1010361738.db2.gz ACYALJMOCGXOQB-KNQAVFIVSA-N 2 1 404.558 3.530 20 0 HHADMP C[N@H+]1CC[C@@H](Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C[C@@H]1c1ccccc1 ZINC000551130101 1010390827 /nfs/dbraw/zinc/39/08/27/1010390827.db2.gz RZLGOGZSZDXCSZ-DNQXCXABSA-N 2 1 406.574 3.631 20 0 HHADMP C[C@H](CC[NH+](C)C)NC(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000521608563 1010502975 /nfs/dbraw/zinc/50/29/75/1010502975.db2.gz UXVJGODSCPFQPD-QGZVFWFLSA-N 2 1 418.582 3.722 20 0 HHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000551317474 1010513163 /nfs/dbraw/zinc/51/31/63/1010513163.db2.gz ZMSYEHLQQNFMGA-UHFFFAOYSA-N 2 1 401.576 3.591 20 0 HHADMP Cc1ccc(NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)c(OCC[NH+](C)C)c1 ZINC000551338370 1010524889 /nfs/dbraw/zinc/52/48/89/1010524889.db2.gz DFVGUCJEQCOQPF-HZPDHXFCSA-N 2 1 415.500 3.783 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)cc2)C1 ZINC000521671261 1010539725 /nfs/dbraw/zinc/53/97/25/1010539725.db2.gz GSKQKSVBJIWVNL-ZFGGDYGUSA-N 2 1 412.622 3.934 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000548295694 1010583856 /nfs/dbraw/zinc/58/38/56/1010583856.db2.gz UGULYIMEFJDLDZ-RUZDIDTESA-N 2 1 406.574 3.777 20 0 HHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(I)c2)[C@@H](C)C1 ZINC000551537453 1010645262 /nfs/dbraw/zinc/64/52/62/1010645262.db2.gz JGJXLFCOZLUTBK-MAUKXSAKSA-N 2 1 416.347 3.518 20 0 HHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC=C(c3cccc(Br)c3)CC2)CC1 ZINC000545171003 1010667255 /nfs/dbraw/zinc/66/72/55/1010667255.db2.gz GMINYEPTHOZEAY-UHFFFAOYSA-N 2 1 420.395 3.527 20 0 HHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC=C(c3cccc(Br)c3)CC2)CC1 ZINC000545171003 1010667263 /nfs/dbraw/zinc/66/72/63/1010667263.db2.gz GMINYEPTHOZEAY-UHFFFAOYSA-N 2 1 420.395 3.527 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000545246241 1010701009 /nfs/dbraw/zinc/70/10/09/1010701009.db2.gz HEFHJGSYRAGKFI-MSOLQXFVSA-N 2 1 411.571 3.625 20 0 HHADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000545246241 1010701013 /nfs/dbraw/zinc/70/10/13/1010701013.db2.gz HEFHJGSYRAGKFI-MSOLQXFVSA-N 2 1 411.571 3.625 20 0 HHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3cccc(OC(F)(F)F)c3)CC2)C[C@@H](C)O1 ZINC000522035590 1010768623 /nfs/dbraw/zinc/76/86/23/1010768623.db2.gz AKOJYHKAHNHDQQ-IAGOWNOFSA-N 2 1 416.484 3.675 20 0 HHADMP C[NH+](C)Cc1cc(CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)ccc1F ZINC000522379994 1010969395 /nfs/dbraw/zinc/96/93/95/1010969395.db2.gz URXBSUBIVNGOFB-IBGZPJMESA-N 2 1 401.501 3.555 20 0 HHADMP CC1CCC([NH+]2CCN(C(=O)NC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)CC2)CC1 ZINC000522421256 1010998678 /nfs/dbraw/zinc/99/86/78/1010998678.db2.gz RSCJVNVPKNZYMD-KBWCOIMZSA-N 2 1 418.651 3.866 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000522560211 1011080405 /nfs/dbraw/zinc/08/04/05/1011080405.db2.gz HQJDXBDQLYTODN-SFHVURJKSA-N 2 1 412.603 3.631 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000522560211 1011080413 /nfs/dbraw/zinc/08/04/13/1011080413.db2.gz HQJDXBDQLYTODN-SFHVURJKSA-N 2 1 412.603 3.631 20 0 HHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H](c3ccccc3)[NH+]3CCSCC3)C2)CC1 ZINC000522703208 1011167252 /nfs/dbraw/zinc/16/72/52/1011167252.db2.gz VCPBQJKMYHDQNZ-GGAORHGYSA-N 2 1 415.647 3.747 20 0 HHADMP COCCc1nc(C)c([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)s1 ZINC000536157361 1011282266 /nfs/dbraw/zinc/28/22/66/1011282266.db2.gz GPBOUYSGNBCKSC-WIYYLYMNSA-N 2 1 416.635 3.670 20 0 HHADMP COc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)[NH+]2CCCC2)cc1 ZINC000536204450 1011348891 /nfs/dbraw/zinc/34/88/91/1011348891.db2.gz PTKDWHNELLROKK-TZRRMPRUSA-N 2 1 422.573 3.577 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1 ZINC000536229134 1011378642 /nfs/dbraw/zinc/37/86/42/1011378642.db2.gz ZSEMYSUJCHVDMC-IMRHEYAYSA-N 2 1 403.530 3.986 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1 ZINC000536229134 1011378647 /nfs/dbraw/zinc/37/86/47/1011378647.db2.gz ZSEMYSUJCHVDMC-IMRHEYAYSA-N 2 1 403.530 3.986 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000536231428 1011380525 /nfs/dbraw/zinc/38/05/25/1011380525.db2.gz GCGPJPXDNKJSDA-SGNDLWITSA-N 2 1 421.589 3.523 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000536231428 1011380535 /nfs/dbraw/zinc/38/05/35/1011380535.db2.gz GCGPJPXDNKJSDA-SGNDLWITSA-N 2 1 421.589 3.523 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000536231428 1011380545 /nfs/dbraw/zinc/38/05/45/1011380545.db2.gz GCGPJPXDNKJSDA-SGNDLWITSA-N 2 1 421.589 3.523 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCCc1cc(F)ccc1F ZINC000536395330 1011603427 /nfs/dbraw/zinc/60/34/27/1011603427.db2.gz MVBHVHVXYQZWKY-UHFFFAOYSA-N 2 1 421.576 3.942 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NCCOc2c(C)cccc2C)cc1 ZINC000541027604 1011662822 /nfs/dbraw/zinc/66/28/22/1011662822.db2.gz GINMGRABNDOPSO-LJQANCHMSA-N 2 1 406.530 3.643 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccsc2)nc1C ZINC000523179773 1011665110 /nfs/dbraw/zinc/66/51/10/1011665110.db2.gz JLVDLYPZQJUMHS-LJQANCHMSA-N 2 1 400.592 3.607 20 0 HHADMP C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C(C)(C)C[NH+](C)C ZINC000536460388 1011681316 /nfs/dbraw/zinc/68/13/16/1011681316.db2.gz UKCABBKABKXALC-QOKNQOGYSA-N 2 1 412.981 3.747 20 0 HHADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000536475225 1011691111 /nfs/dbraw/zinc/69/11/11/1011691111.db2.gz FCRLFWIFUOHUKA-UHFFFAOYSA-N 2 1 405.340 3.695 20 0 HHADMP C[C@H](C(=O)NCCc1cccs1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536485383 1011697202 /nfs/dbraw/zinc/69/72/02/1011697202.db2.gz JLVABYBXTONJAK-HXUWFJFHSA-N 2 1 411.615 3.783 20 0 HHADMP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000523340568 1011818973 /nfs/dbraw/zinc/81/89/73/1011818973.db2.gz KPGCDWYDXDUBBC-OAQYLSRUSA-N 2 1 414.981 3.537 20 0 HHADMP COC(=O)COc1c(C)cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1C ZINC000536673598 1011830706 /nfs/dbraw/zinc/83/07/06/1011830706.db2.gz OZXBSBDEUDAUIU-JOCHJYFZSA-N 2 1 410.558 3.809 20 0 HHADMP COC(=O)COc1c(C)cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000536673598 1011830724 /nfs/dbraw/zinc/83/07/24/1011830724.db2.gz OZXBSBDEUDAUIU-JOCHJYFZSA-N 2 1 410.558 3.809 20 0 HHADMP COC(=O)COc1c(C)cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000536673598 1011830749 /nfs/dbraw/zinc/83/07/49/1011830749.db2.gz OZXBSBDEUDAUIU-JOCHJYFZSA-N 2 1 410.558 3.809 20 0 HHADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3c[nH]nc3-c3ccc(Cl)cc3)CC2)CC1 ZINC000536710373 1011882979 /nfs/dbraw/zinc/88/29/79/1011882979.db2.gz RQQOCMPRYKZZNL-UHFFFAOYSA-N 2 1 401.986 3.721 20 0 HHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000536724799 1011896172 /nfs/dbraw/zinc/89/61/72/1011896172.db2.gz UZDJYQXEPAYRCV-HSZRJFAPSA-N 2 1 410.537 3.955 20 0 HHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536783886 1011996574 /nfs/dbraw/zinc/99/65/74/1011996574.db2.gz JPOYJQINEZKQTP-UHFFFAOYSA-N 2 1 409.578 3.508 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)NCc2ccc(COc3ccccc3)cc2)CC1 ZINC000551908455 1012019893 /nfs/dbraw/zinc/01/98/93/1012019893.db2.gz VGIDQUAJOICYBB-UHFFFAOYSA-N 2 1 423.601 3.934 20 0 HHADMP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000552047567 1012066984 /nfs/dbraw/zinc/06/69/84/1012066984.db2.gz QUUMSWBVTYKEIE-OSFYOIPJSA-N 2 1 415.603 3.689 20 0 HHADMP CC[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000552051135 1012069752 /nfs/dbraw/zinc/06/97/52/1012069752.db2.gz JTQDTGVHZYLJOV-UHFFFAOYSA-N 2 1 419.577 3.980 20 0 HHADMP Cn1nccc1N1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000552054895 1012073219 /nfs/dbraw/zinc/07/32/19/1012073219.db2.gz RXNIIWXYTMTWHC-UEQSERJNSA-N 2 1 407.606 3.669 20 0 HHADMP CN(C)C(=O)COc1ccccc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000552060028 1012078246 /nfs/dbraw/zinc/07/82/46/1012078246.db2.gz DWLLZPLAECJPTN-UHFFFAOYSA-N 2 1 421.585 3.642 20 0 HHADMP c1nnn(Cc2ccccc2)c1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000552060318 1012078681 /nfs/dbraw/zinc/07/86/81/1012078681.db2.gz NXAYCZJVWFCXHE-UHFFFAOYSA-N 2 1 401.558 3.815 20 0 HHADMP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000552075427 1012091842 /nfs/dbraw/zinc/09/18/42/1012091842.db2.gz WUKCMHMBPUHRRQ-ZMMAXQRCSA-N 2 1 415.607 3.564 20 0 HHADMP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000552075427 1012091859 /nfs/dbraw/zinc/09/18/59/1012091859.db2.gz WUKCMHMBPUHRRQ-ZMMAXQRCSA-N 2 1 415.607 3.564 20 0 HHADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000552101572 1012118556 /nfs/dbraw/zinc/11/85/56/1012118556.db2.gz VRVIUDRYZOVPPA-UXHICEINSA-N 2 1 416.516 3.594 20 0 HHADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000552101572 1012118563 /nfs/dbraw/zinc/11/85/63/1012118563.db2.gz VRVIUDRYZOVPPA-UXHICEINSA-N 2 1 416.516 3.594 20 0 HHADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000541467305 1012230742 /nfs/dbraw/zinc/23/07/42/1012230742.db2.gz GWDCLQDSWHPEJB-PZJWPPBQSA-N 2 1 400.611 3.977 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000541467305 1012230770 /nfs/dbraw/zinc/23/07/70/1012230770.db2.gz GWDCLQDSWHPEJB-PZJWPPBQSA-N 2 1 400.611 3.977 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)[NH+]2CCCC2)o1 ZINC000523645259 1012236386 /nfs/dbraw/zinc/23/63/86/1012236386.db2.gz MCZMPTRNYFCAAG-QFBILLFUSA-N 2 1 416.591 3.532 20 0 HHADMP Cc1ccc([C@@H](CNC(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)[NH+]2CCCC2)o1 ZINC000523645259 1012236403 /nfs/dbraw/zinc/23/64/03/1012236403.db2.gz MCZMPTRNYFCAAG-QFBILLFUSA-N 2 1 416.591 3.532 20 0 HHADMP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3nc4ccc(Cl)cc4n3C)cn2)CC1 ZINC000536951633 1012250168 /nfs/dbraw/zinc/25/01/68/1012250168.db2.gz SUVHKSXWORAIAP-INIZCTEOSA-N 2 1 412.969 3.614 20 0 HHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCCCCn3nnc(-c4ccccc4)n3)C2)CC1 ZINC000552273452 1012287170 /nfs/dbraw/zinc/28/71/70/1012287170.db2.gz AZXSDAVOFXHAPT-JOCHJYFZSA-N 2 1 410.610 3.954 20 0 HHADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000523791467 1012448052 /nfs/dbraw/zinc/44/80/52/1012448052.db2.gz ARVHBPDRVAZFKV-HXUWFJFHSA-N 2 1 400.611 3.934 20 0 HHADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000523791467 1012448061 /nfs/dbraw/zinc/44/80/61/1012448061.db2.gz ARVHBPDRVAZFKV-HXUWFJFHSA-N 2 1 400.611 3.934 20 0 HHADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000523791467 1012448079 /nfs/dbraw/zinc/44/80/79/1012448079.db2.gz ARVHBPDRVAZFKV-HXUWFJFHSA-N 2 1 400.611 3.934 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000537166895 1012569711 /nfs/dbraw/zinc/56/97/11/1012569711.db2.gz HZNFFRHYKYTMAP-JKSUJKDBSA-N 2 1 406.486 3.630 20 0 HHADMP COc1ccc([C@@H](C)C[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000537205159 1012627111 /nfs/dbraw/zinc/62/71/11/1012627111.db2.gz WVFJDXJXTQUSOR-NRFANRHFSA-N 2 1 423.601 3.759 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[NH+](C)C ZINC000523911655 1012630670 /nfs/dbraw/zinc/63/06/70/1012630670.db2.gz OCQWJVSFDPBZOH-CVDCTZTESA-N 2 1 424.589 3.823 20 0 HHADMP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000542015534 1012903643 /nfs/dbraw/zinc/90/36/43/1012903643.db2.gz MBPNZMYHGHGWDC-UHFFFAOYSA-N 2 1 411.388 3.617 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000524135941 1012921799 /nfs/dbraw/zinc/92/17/99/1012921799.db2.gz XTEZXUQUDJWIPQ-NFBKMPQASA-N 2 1 400.611 3.803 20 0 HHADMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000524156046 1012947270 /nfs/dbraw/zinc/94/72/70/1012947270.db2.gz DDPSTHDZPFSGNO-UHFFFAOYSA-N 2 1 403.901 3.932 20 0 HHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000524156046 1012947281 /nfs/dbraw/zinc/94/72/81/1012947281.db2.gz DDPSTHDZPFSGNO-UHFFFAOYSA-N 2 1 403.901 3.932 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N(C)CC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537468596 1012973217 /nfs/dbraw/zinc/97/32/17/1012973217.db2.gz ZNWSBSBIIVEYJI-NHCUHLMSSA-N 2 1 424.992 3.986 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N(C)CC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537468596 1012973232 /nfs/dbraw/zinc/97/32/32/1012973232.db2.gz ZNWSBSBIIVEYJI-NHCUHLMSSA-N 2 1 424.992 3.986 20 0 HHADMP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2cc(-c3cccs3)on2)CC1 ZINC000487843713 1072079912 /nfs/dbraw/zinc/07/99/12/1072079912.db2.gz YAOCKKJDUQWLRP-UHFFFAOYSA-N 2 1 416.591 3.607 20 0 HHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC000488203603 1072122499 /nfs/dbraw/zinc/12/24/99/1072122499.db2.gz QCBKENAFPIZVIV-NRFANRHFSA-N 2 1 412.622 3.934 20 0 HHADMP Cc1noc([C@@H]2CCC[NH+](CCCCCC[N@@H+]3CCC[C@H](c4nc(C)no4)C3)C2)n1 ZINC000729815150 1072129815 /nfs/dbraw/zinc/12/98/15/1072129815.db2.gz PUSMSEOUCHWNQR-BGYRXZFFSA-N 2 1 416.570 3.689 20 0 HHADMP Cc1noc([C@@H]2CCC[N@@H+](CCCCCC[NH+]3CCC[C@H](c4nc(C)no4)C3)C2)n1 ZINC000729815150 1072129818 /nfs/dbraw/zinc/12/98/18/1072129818.db2.gz PUSMSEOUCHWNQR-BGYRXZFFSA-N 2 1 416.570 3.689 20 0 HHADMP Cc1noc([C@@H]2CCC[N@H+](CCCCCC[NH+]3CCC[C@H](c4nc(C)no4)C3)C2)n1 ZINC000729815150 1072129821 /nfs/dbraw/zinc/12/98/21/1072129821.db2.gz PUSMSEOUCHWNQR-BGYRXZFFSA-N 2 1 416.570 3.689 20 0 HHADMP COc1ccc2c(c1)C[C@@H]([NH+]1CCC3(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO3)C2 ZINC001168274371 1072149386 /nfs/dbraw/zinc/14/93/86/1072149386.db2.gz SIOBPTNAKVJYLS-DEOSSOPVSA-N 2 1 406.570 3.838 20 0 HHADMP C[NH+](C)CCNC(=S)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000912969245 1072312186 /nfs/dbraw/zinc/31/21/86/1072312186.db2.gz SAUGTTQTQUNMEU-UHFFFAOYSA-N 2 1 423.051 3.622 20 0 HHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000586857882 1072480107 /nfs/dbraw/zinc/48/01/07/1072480107.db2.gz LXTBJWFUCQBUFF-SRUXOGRHSA-N 2 1 400.611 3.564 20 0 HHADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000586857882 1072480117 /nfs/dbraw/zinc/48/01/17/1072480117.db2.gz LXTBJWFUCQBUFF-SRUXOGRHSA-N 2 1 400.611 3.564 20 0 HHADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000586857882 1072480126 /nfs/dbraw/zinc/48/01/26/1072480126.db2.gz LXTBJWFUCQBUFF-SRUXOGRHSA-N 2 1 400.611 3.564 20 0 HHADMP C[NH+](C)C1CCC([N@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CCC3(F)F)CC1 ZINC001168313371 1072494657 /nfs/dbraw/zinc/49/46/57/1072494657.db2.gz ANDPFCMRCWLUKF-UHYCVJNDSA-N 2 1 401.542 3.827 20 0 HHADMP C[N@H+](C[C@@H](O)CN1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)C1CC1 ZINC001168324872 1072504576 /nfs/dbraw/zinc/50/45/76/1072504576.db2.gz PEUYDKFGKPXWBJ-DNQXCXABSA-N 2 1 413.993 3.502 20 0 HHADMP C[N@@H+](C[C@@H](O)CN1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)C1CC1 ZINC001168324872 1072504585 /nfs/dbraw/zinc/50/45/85/1072504585.db2.gz PEUYDKFGKPXWBJ-DNQXCXABSA-N 2 1 413.993 3.502 20 0 HHADMP COc1cccc([C@H]2CC(=O)N(C[NH+]3CCC(C[N@@H+](C)Cc4ccccc4)CC3)C2)c1 ZINC000760531247 1072556812 /nfs/dbraw/zinc/55/68/12/1072556812.db2.gz SAGGQCZPKCFWAO-DEOSSOPVSA-N 2 1 421.585 3.813 20 0 HHADMP COc1cccc([C@H]2CC(=O)N(C[NH+]3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)C2)c1 ZINC000760539140 1072563167 /nfs/dbraw/zinc/56/31/67/1072563167.db2.gz OTBCTWDPKCBPAA-OFNKIYASSA-N 2 1 413.606 3.945 20 0 HHADMP COc1cccc([C@H]2CC(=O)N(C[NH+]3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)C2)c1 ZINC000760539140 1072563173 /nfs/dbraw/zinc/56/31/73/1072563173.db2.gz OTBCTWDPKCBPAA-OFNKIYASSA-N 2 1 413.606 3.945 20 0 HHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000571341896 1072607122 /nfs/dbraw/zinc/60/71/22/1072607122.db2.gz KNUPEXPFHMRTPL-RPWUZVMVSA-N 2 1 418.585 3.587 20 0 HHADMP Cc1cccc(COC[C@]23CCCO[C@H]2CC[N@H+](C2CC[NH+](CC4CC4)CC2)C3)n1 ZINC001168380468 1072707642 /nfs/dbraw/zinc/70/76/42/1072707642.db2.gz SWBAGZPKPCDILD-LOSJGSFVSA-N 2 1 413.606 3.652 20 0 HHADMP Cc1cc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc(F)c1F ZINC001143605127 1072964948 /nfs/dbraw/zinc/96/49/48/1072964948.db2.gz JXJCDNDRYLZLNW-UHFFFAOYSA-N 2 1 401.501 3.783 20 0 HHADMP CC[N@H+](CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1)C(C)C ZINC000588279220 1072988695 /nfs/dbraw/zinc/98/86/95/1072988695.db2.gz YBEBCEJGEARCDH-NRFANRHFSA-N 2 1 414.619 3.877 20 0 HHADMP CC[N@@H+](CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1)C(C)C ZINC000588279220 1072988700 /nfs/dbraw/zinc/98/87/00/1072988700.db2.gz YBEBCEJGEARCDH-NRFANRHFSA-N 2 1 414.619 3.877 20 0 HHADMP CC[NH+](CCNC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)C(C)C ZINC000588279220 1072988710 /nfs/dbraw/zinc/98/87/10/1072988710.db2.gz YBEBCEJGEARCDH-NRFANRHFSA-N 2 1 414.619 3.877 20 0 HHADMP CC[NH+](CCNC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)C(C)C ZINC000588279220 1072988728 /nfs/dbraw/zinc/98/87/28/1072988728.db2.gz YBEBCEJGEARCDH-NRFANRHFSA-N 2 1 414.619 3.877 20 0 HHADMP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000588708669 1073155073 /nfs/dbraw/zinc/15/50/73/1073155073.db2.gz BSDCJFFMDUQVER-AQNXPRMDSA-N 2 1 401.595 3.958 20 0 HHADMP CC(C)(C)OC(=O)N1CCC([NH2+]C2CC[NH+](CC3CC3)CC2)(c2cccnc2)CC1 ZINC001168364920 1073161207 /nfs/dbraw/zinc/16/12/07/1073161207.db2.gz JVEYBJMLJIVSGS-UHFFFAOYSA-N 2 1 414.594 3.772 20 0 HHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000555215746 1073267469 /nfs/dbraw/zinc/26/74/69/1073267469.db2.gz YTZITEHWBSXMLO-QHCPKHFHSA-N 2 1 412.622 3.947 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000555318698 1073330920 /nfs/dbraw/zinc/33/09/20/1073330920.db2.gz IBYMFFZLMFCROP-JHBZICRXSA-N 2 1 402.966 3.826 20 0 HHADMP FC(F)(F)c1cccc(N2CC[NH+](CCCNc3[nH+]cnc4[nH]ccc43)CC2)c1 ZINC000588896665 1073334575 /nfs/dbraw/zinc/33/45/75/1073334575.db2.gz OEQKBYXXBKDUDI-UHFFFAOYSA-N 2 1 404.440 3.553 20 0 HHADMP C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000589052216 1073383653 /nfs/dbraw/zinc/38/36/53/1073383653.db2.gz TYVBEXSPRACQRV-CYBMUJFWSA-N 2 1 409.317 3.546 20 0 HHADMP Cc1ccc(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000591161232 1074158670 /nfs/dbraw/zinc/15/86/70/1074158670.db2.gz QSNDDEQBCTVZNU-HSZRJFAPSA-N 2 1 414.594 3.868 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000591419197 1074282878 /nfs/dbraw/zinc/28/28/78/1074282878.db2.gz GGLBYSMPKYLKAS-FYYLOGMGSA-N 2 1 421.585 3.944 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000591419197 1074282887 /nfs/dbraw/zinc/28/28/87/1074282887.db2.gz GGLBYSMPKYLKAS-FYYLOGMGSA-N 2 1 421.585 3.944 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000591419197 1074282889 /nfs/dbraw/zinc/28/28/89/1074282889.db2.gz GGLBYSMPKYLKAS-FYYLOGMGSA-N 2 1 421.585 3.944 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000591557113 1074404555 /nfs/dbraw/zinc/40/45/55/1074404555.db2.gz BHAOHBGCXHCJLH-GHTZIAJQSA-N 2 1 407.002 3.897 20 0 HHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000591701411 1074496363 /nfs/dbraw/zinc/49/63/63/1074496363.db2.gz SZIAKLMWPIWVDG-QGZVFWFLSA-N 2 1 411.575 3.578 20 0 HHADMP O=C(C[N@H+]1CCC[C@@H](Cc2ccccc2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000592323002 1074715367 /nfs/dbraw/zinc/71/53/67/1074715367.db2.gz GNGLZXXHPGEEAK-VWLOTQADSA-N 2 1 405.586 3.853 20 0 HHADMP C[C@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574096182 1075166544 /nfs/dbraw/zinc/16/65/44/1075166544.db2.gz MTFDLWIHFZTFCW-MMTHZHQFSA-N 2 1 421.585 3.523 20 0 HHADMP COC1CC[NH+](C2(CNCc3ccc(OCC[NH+]4CCCC4)cc3)CCCC2)CC1 ZINC000594069264 1075260828 /nfs/dbraw/zinc/26/08/28/1075260828.db2.gz LHOOYOTUOCRULC-UHFFFAOYSA-N 2 1 415.622 3.674 20 0 HHADMP C[N@H+](CCN1CC[NH+](CCOc2ccccc2C(F)(F)F)CC1)Cc1ccccc1 ZINC000595571519 1075466511 /nfs/dbraw/zinc/46/65/11/1075466511.db2.gz XPNZWPBQHQJLBC-UHFFFAOYSA-N 2 1 421.507 3.834 20 0 HHADMP C[N@@H+](CCN1CC[NH+](CCOc2ccccc2C(F)(F)F)CC1)Cc1ccccc1 ZINC000595571519 1075466515 /nfs/dbraw/zinc/46/65/15/1075466515.db2.gz XPNZWPBQHQJLBC-UHFFFAOYSA-N 2 1 421.507 3.834 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000595588577 1075470126 /nfs/dbraw/zinc/47/01/26/1075470126.db2.gz XHNPAVHNQPQLRU-KRWDZBQOSA-N 2 1 409.521 3.615 20 0 HHADMP CSc1ccc(C(F)(F)n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1Cl ZINC001164683689 719627068 /nfs/dbraw/zinc/62/70/68/719627068.db2.gz UTMYKAWVTFZFDT-UHFFFAOYSA-N 2 1 415.941 3.737 20 0 HHADMP CSc1ccc(C(F)(F)n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1Cl ZINC001164683689 719627073 /nfs/dbraw/zinc/62/70/73/719627073.db2.gz UTMYKAWVTFZFDT-UHFFFAOYSA-N 2 1 415.941 3.737 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2ccc3cnc(Cl)nc3c2)c2c1CC[NH2+]C2 ZINC001164681242 719628435 /nfs/dbraw/zinc/62/84/35/719628435.db2.gz FATRPUVKKRPEST-UHFFFAOYSA-N 2 1 420.895 3.563 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2ccc3cnc(Cl)nc3c2)c2c1CC[NH2+]C2 ZINC001164681242 719628445 /nfs/dbraw/zinc/62/84/45/719628445.db2.gz FATRPUVKKRPEST-UHFFFAOYSA-N 2 1 420.895 3.563 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(-c2cnc(Cl)nc2Oc2ccccc2)c2c1CC[NH2+]C2 ZINC001164681705 719649388 /nfs/dbraw/zinc/64/93/88/719649388.db2.gz QFQDFZLFPQVPKK-UHFFFAOYSA-N 2 1 412.925 3.594 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(-c2cnc(Cl)nc2Oc2ccccc2)c2c1CC[NH2+]C2 ZINC001164681705 719649396 /nfs/dbraw/zinc/64/93/96/719649396.db2.gz QFQDFZLFPQVPKK-UHFFFAOYSA-N 2 1 412.925 3.594 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cc(Cl)nc3c2CCC3)c2c1CC[NH2+]C2 ZINC001164683079 719654525 /nfs/dbraw/zinc/65/45/25/719654525.db2.gz UPGWTXIPCSNXCT-UHFFFAOYSA-N 2 1 409.912 3.504 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cc(Cl)nc3c2CCC3)c2c1CC[NH2+]C2 ZINC001164683079 719654531 /nfs/dbraw/zinc/65/45/31/719654531.db2.gz UPGWTXIPCSNXCT-UHFFFAOYSA-N 2 1 409.912 3.504 20 0 HHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164837566 720710511 /nfs/dbraw/zinc/71/05/11/720710511.db2.gz DRMLIBDEXTXOQU-DEOSSOPVSA-N 2 1 420.601 3.937 20 0 HHADMP Cc1c[nH+]c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(C)c1 ZINC001164756580 720888874 /nfs/dbraw/zinc/88/88/74/720888874.db2.gz QOPYWXKJYVTYJJ-NOZRDPDXSA-N 2 1 406.574 3.849 20 0 HHADMP Cc1c[nH+]c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(C)c1 ZINC001164756580 720888876 /nfs/dbraw/zinc/88/88/76/720888876.db2.gz QOPYWXKJYVTYJJ-NOZRDPDXSA-N 2 1 406.574 3.849 20 0 HHADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(OC(C)C)cc[nH+]3)C2)C1 ZINC001164777319 721353552 /nfs/dbraw/zinc/35/35/52/721353552.db2.gz GABSRKGGDDCUFS-QHCPKHFHSA-N 2 1 414.550 3.593 20 0 HHADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(OC(C)C)cc[nH+]3)C2)C1 ZINC001164777319 721353556 /nfs/dbraw/zinc/35/35/56/721353556.db2.gz GABSRKGGDDCUFS-QHCPKHFHSA-N 2 1 414.550 3.593 20 0 HHADMP C[NH+]1CCC(Oc2ccnc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2)CC1 ZINC001164996147 722211898 /nfs/dbraw/zinc/21/18/98/722211898.db2.gz MBTCKJWXATXDDE-RUZDIDTESA-N 2 1 424.564 3.939 20 0 HHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC3CC[NH+]([C@H]4CCOC4)CC3)c2c1C ZINC000301892572 971102304 /nfs/dbraw/zinc/10/23/04/971102304.db2.gz VWSDGBWZWIHVQC-SFHVURJKSA-N 2 1 415.607 3.569 20 0 HHADMP C[NH+](C)[C@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)C1 ZINC000303238771 971574769 /nfs/dbraw/zinc/57/47/69/971574769.db2.gz ICMXIOOWSSBVSR-SFTDATJTSA-N 2 1 412.603 3.583 20 0 HHADMP C[NH+](C)[C@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)C1 ZINC000303238771 971574780 /nfs/dbraw/zinc/57/47/80/971574780.db2.gz ICMXIOOWSSBVSR-SFTDATJTSA-N 2 1 412.603 3.583 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000303430819 971713068 /nfs/dbraw/zinc/71/30/68/971713068.db2.gz CBCJVZQLGYLHFU-PQSXDXRPSA-N 2 1 412.622 3.849 20 0 HHADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000303446217 971739653 /nfs/dbraw/zinc/73/96/53/971739653.db2.gz HASBJMFZRBKZHN-PMENIEFESA-N 2 1 420.601 3.654 20 0 HHADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000303446213 971739785 /nfs/dbraw/zinc/73/97/85/971739785.db2.gz HASBJMFZRBKZHN-DNWTWSCESA-N 2 1 420.601 3.654 20 0 HHADMP CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000524300484 1013112265 /nfs/dbraw/zinc/11/22/65/1013112265.db2.gz RVFRQGIXOIVZNB-QFBILLFUSA-N 2 1 400.394 3.860 20 0 HHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000303592025 971884846 /nfs/dbraw/zinc/88/48/46/971884846.db2.gz MLRCLSBCTBVHRV-FGZHOGPDSA-N 2 1 408.590 3.651 20 0 HHADMP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)CC1 ZINC000303628309 971909759 /nfs/dbraw/zinc/90/97/59/971909759.db2.gz YEYVLFKLAHKBGU-UHFFFAOYSA-N 2 1 418.969 3.650 20 0 HHADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000537620383 1013164029 /nfs/dbraw/zinc/16/40/29/1013164029.db2.gz WEBXGWBCGCTERS-UHFFFAOYSA-N 2 1 403.659 3.883 20 0 HHADMP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000537621820 1013167148 /nfs/dbraw/zinc/16/71/48/1013167148.db2.gz IOZQAIQTHJANDA-RCZVLFRGSA-N 2 1 422.617 3.735 20 0 HHADMP CCC[N@H+](Cc1ccc(-n2cncn2)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000537624197 1013172530 /nfs/dbraw/zinc/17/25/30/1013172530.db2.gz SLGNUKDLQOGPFO-UHFFFAOYSA-N 2 1 405.550 3.555 20 0 HHADMP CCC[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000537624197 1013172535 /nfs/dbraw/zinc/17/25/35/1013172535.db2.gz SLGNUKDLQOGPFO-UHFFFAOYSA-N 2 1 405.550 3.555 20 0 HHADMP CCC[N@H+](Cc1ccc(OCCOC)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000537624834 1013172795 /nfs/dbraw/zinc/17/27/95/1013172795.db2.gz SVWCZWNCLZIFQB-UHFFFAOYSA-N 2 1 412.578 4.000 20 0 HHADMP CCC[N@@H+](Cc1ccc(OCCOC)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000537624834 1013172800 /nfs/dbraw/zinc/17/28/00/1013172800.db2.gz SVWCZWNCLZIFQB-UHFFFAOYSA-N 2 1 412.578 4.000 20 0 HHADMP C[C@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000303873517 972415333 /nfs/dbraw/zinc/41/53/33/972415333.db2.gz XVPNWEHAGMXADE-KRWDZBQOSA-N 2 1 424.545 3.632 20 0 HHADMP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000303893804 972433752 /nfs/dbraw/zinc/43/37/52/972433752.db2.gz PVEIREPIGOIDHO-RUZDIDTESA-N 2 1 421.585 3.580 20 0 HHADMP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000303893804 972433755 /nfs/dbraw/zinc/43/37/55/972433755.db2.gz PVEIREPIGOIDHO-RUZDIDTESA-N 2 1 421.585 3.580 20 0 HHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000537648090 1013208978 /nfs/dbraw/zinc/20/89/78/1013208978.db2.gz RBOCAWPXTXCNSK-GOSISDBHSA-N 2 1 421.383 3.772 20 0 HHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000537648090 1013208985 /nfs/dbraw/zinc/20/89/85/1013208985.db2.gz RBOCAWPXTXCNSK-GOSISDBHSA-N 2 1 421.383 3.772 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)cc1 ZINC000542252282 1013212891 /nfs/dbraw/zinc/21/28/91/1013212891.db2.gz BNZQWYPRNJIBKY-VLIAUNLRSA-N 2 1 416.447 3.947 20 0 HHADMP C[N@@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000542279953 1013239897 /nfs/dbraw/zinc/23/98/97/1013239897.db2.gz GPFFQIDIBHXNBY-WOJBJXKFSA-N 2 1 422.491 3.899 20 0 HHADMP C[NH+](C[C@@H](O)COc1ccccc1C(F)(F)F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000542279953 1013239906 /nfs/dbraw/zinc/23/99/06/1013239906.db2.gz GPFFQIDIBHXNBY-WOJBJXKFSA-N 2 1 422.491 3.899 20 0 HHADMP C[NH+](C[C@@H](O)COc1ccccc1C(F)(F)F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000542279953 1013239926 /nfs/dbraw/zinc/23/99/26/1013239926.db2.gz GPFFQIDIBHXNBY-WOJBJXKFSA-N 2 1 422.491 3.899 20 0 HHADMP C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000553293828 1013250891 /nfs/dbraw/zinc/25/08/91/1013250891.db2.gz LGIKBLRLFWEILO-HNAYVOBHSA-N 2 1 412.441 3.849 20 0 HHADMP Cn1cc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c(C2CCCCC2)n1 ZINC000542316990 1013273700 /nfs/dbraw/zinc/27/37/00/1013273700.db2.gz MZWSFPYINHKYHZ-HXUWFJFHSA-N 2 1 401.624 3.608 20 0 HHADMP C[NH+](C)CCOc1cccc(CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c1 ZINC000542360902 1013318022 /nfs/dbraw/zinc/31/80/22/1013318022.db2.gz ZYMDQYFONXUPHG-NRFANRHFSA-N 2 1 424.589 3.750 20 0 HHADMP Cc1cccc(OCCNC(=O)[C@@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000537841944 1013403221 /nfs/dbraw/zinc/40/32/21/1013403221.db2.gz QCLPDMYEODLGFU-OAQYLSRUSA-N 2 1 424.589 3.512 20 0 HHADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)CC1)CC1CC1 ZINC000537847330 1013412996 /nfs/dbraw/zinc/41/29/96/1013412996.db2.gz QXJIIISYYOSLJK-KRWDZBQOSA-N 2 1 401.551 3.576 20 0 HHADMP CCN(CC)c1ccc(/C=[NH+]/C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c(O)c1 ZINC000022591954 963682478 /nfs/dbraw/zinc/68/24/78/963682478.db2.gz PSEVHLYWYYKCKW-NGIIGVMLSA-N 2 1 400.592 3.708 20 0 HHADMP COc1c(Br)cc(Br)cc1C[NH2+]CCCn1cc[nH+]c1C ZINC000048750360 964052719 /nfs/dbraw/zinc/05/27/19/964052719.db2.gz HXPWLWVDLVRMLA-UHFFFAOYSA-N 2 1 417.145 3.905 20 0 HHADMP C[C@@H]([NH2+]CC(=O)NCc1ccccc1OC1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542531684 1013474276 /nfs/dbraw/zinc/47/42/76/1013474276.db2.gz FCOKOAUCGABATD-CTNGQTDRSA-N 2 1 413.606 3.867 20 0 HHADMP C[C@@H]([NH2+]CC(=O)NCc1ccccc1OC1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542531684 1013474282 /nfs/dbraw/zinc/47/42/82/1013474282.db2.gz FCOKOAUCGABATD-CTNGQTDRSA-N 2 1 413.606 3.867 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000050137756 964275576 /nfs/dbraw/zinc/27/55/76/964275576.db2.gz FEBKIONNYQLJNB-FQEVSTJZSA-N 2 1 406.640 3.771 20 0 HHADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000537955494 1013535370 /nfs/dbraw/zinc/53/53/70/1013535370.db2.gz YMJQVDGWSJUWLS-GUDVDZBRSA-N 2 1 409.368 3.630 20 0 HHADMP COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1OC ZINC000052713743 964960461 /nfs/dbraw/zinc/96/04/61/964960461.db2.gz SSIIUWOGHWZNDQ-SFHVURJKSA-N 2 1 403.567 3.619 20 0 HHADMP CN1C(=O)C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000537960527 1013540035 /nfs/dbraw/zinc/54/00/35/1013540035.db2.gz YZGRNBHRKODKDV-LADGPHEKSA-N 2 1 411.977 3.909 20 0 HHADMP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000537968729 1013546028 /nfs/dbraw/zinc/54/60/28/1013546028.db2.gz UQUXZMXAHBYJMN-ZACQAIPSSA-N 2 1 415.500 3.902 20 0 HHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000053749779 965264217 /nfs/dbraw/zinc/26/42/17/965264217.db2.gz KQWAEZXJAJBJOB-RDPSFJRHSA-N 2 1 406.574 3.786 20 0 HHADMP COc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000058820135 965918607 /nfs/dbraw/zinc/91/86/07/965918607.db2.gz PLGDNWXATOUWFY-HSZRJFAPSA-N 2 1 421.585 3.688 20 0 HHADMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000538046668 1013619362 /nfs/dbraw/zinc/61/93/62/1013619362.db2.gz YBZGVLTWCHXMDK-IRXDYDNUSA-N 2 1 416.484 3.675 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC000031541689 966047171 /nfs/dbraw/zinc/04/71/71/966047171.db2.gz JEELTJZZDDSULI-OTPAQWSUSA-N 2 1 421.585 3.690 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC000031541689 966047183 /nfs/dbraw/zinc/04/71/83/966047183.db2.gz JEELTJZZDDSULI-OTPAQWSUSA-N 2 1 421.585 3.690 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccs1 ZINC000060244772 966081786 /nfs/dbraw/zinc/08/17/86/966081786.db2.gz AWVXUTRWRMIKJO-AEFFLSMTSA-N 2 1 406.621 3.624 20 0 HHADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000061070835 966365008 /nfs/dbraw/zinc/36/50/08/966365008.db2.gz RSLFCMNJTOQXHW-YADHBBJMSA-N 2 1 410.562 3.770 20 0 HHADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)COc1ccc(Cl)c(Cl)c1 ZINC000033633292 966412027 /nfs/dbraw/zinc/41/20/27/966412027.db2.gz OAEQULKTQGWFHI-GOSISDBHSA-N 2 1 409.357 3.987 20 0 HHADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000061522246 966488478 /nfs/dbraw/zinc/48/84/78/966488478.db2.gz LJYNHTHWSAZFJR-UHFFFAOYSA-N 2 1 406.574 3.530 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1ccc(F)cc1 ZINC000061788919 966553506 /nfs/dbraw/zinc/55/35/06/966553506.db2.gz HSSPCWSFHSRJKR-OAQYLSRUSA-N 2 1 416.566 3.799 20 0 HHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000043143686 966917316 /nfs/dbraw/zinc/91/73/16/966917316.db2.gz PVYPCDRKYQVHKS-HXUWFJFHSA-N 2 1 400.592 3.577 20 0 HHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)CC2)cc1 ZINC000043145601 966917841 /nfs/dbraw/zinc/91/78/41/966917841.db2.gz RCVASOARGDQBSA-FQEVSTJZSA-N 2 1 400.592 3.577 20 0 HHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H](c3cccs3)[NH+](C)C)CC2)cc1 ZINC000043145603 966918240 /nfs/dbraw/zinc/91/82/40/966918240.db2.gz RCVASOARGDQBSA-HXUWFJFHSA-N 2 1 400.592 3.577 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000064229521 967094501 /nfs/dbraw/zinc/09/45/01/967094501.db2.gz LAPJXIVPGFYVJM-UHFFFAOYSA-N 2 1 400.611 3.936 20 0 HHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)C1 ZINC000542850555 1013709185 /nfs/dbraw/zinc/70/91/85/1013709185.db2.gz YXNMFGGSOLTCPQ-DYESRHJHSA-N 2 1 419.338 3.932 20 0 HHADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000542854289 1013712332 /nfs/dbraw/zinc/71/23/32/1013712332.db2.gz QWJBNCHBXJTBLQ-DNVCBOLYSA-N 2 1 409.452 3.993 20 0 HHADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000542854289 1013712339 /nfs/dbraw/zinc/71/23/39/1013712339.db2.gz QWJBNCHBXJTBLQ-DNVCBOLYSA-N 2 1 409.452 3.993 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccn(Cc2ccccc2)c1 ZINC000542856253 1013714030 /nfs/dbraw/zinc/71/40/30/1013714030.db2.gz GGJVAPUOBFQOBF-UHFFFAOYSA-N 2 1 422.617 3.805 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N[C@H](C)Cc2c(F)cccc2F)cc1 ZINC000542887205 1013734911 /nfs/dbraw/zinc/73/49/11/1013734911.db2.gz YCIDWJBDOUPDOB-CVEARBPZSA-N 2 1 412.484 3.857 20 0 HHADMP CC[NH+]1CCN(c2ccc(NC(=O)NCCCC[N@H+]3CCC[C@H](C)C3)c(C)c2)CC1 ZINC000045976451 967614155 /nfs/dbraw/zinc/61/41/55/967614155.db2.gz PLJJBJKULWEYOQ-FQEVSTJZSA-N 2 1 415.626 3.771 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)Nc2cccc(C[NH+](C)C)c2)C[C@@H](C)O1 ZINC000047127982 968061884 /nfs/dbraw/zinc/06/18/84/968061884.db2.gz RVCISPXFBGIZGZ-RTBURBONSA-N 2 1 410.562 3.679 20 0 HHADMP C[C@@H]([NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cccc(N2CCCC2)c1 ZINC000538277932 1013816393 /nfs/dbraw/zinc/81/63/93/1013816393.db2.gz VGPFIITTXIMWBH-YADHBBJMSA-N 2 1 420.601 3.843 20 0 HHADMP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[NH+]1CCc2ccccc2C1 ZINC000065866106 968688480 /nfs/dbraw/zinc/68/84/80/968688480.db2.gz CWDPLFHLZXZWLY-CVDCTZTESA-N 2 1 409.549 3.601 20 0 HHADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000065866106 968688487 /nfs/dbraw/zinc/68/84/87/968688487.db2.gz CWDPLFHLZXZWLY-CVDCTZTESA-N 2 1 409.549 3.601 20 0 HHADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1)[N@H+]1CCc2ccccc2C1 ZINC000065866106 968688497 /nfs/dbraw/zinc/68/84/97/968688497.db2.gz CWDPLFHLZXZWLY-CVDCTZTESA-N 2 1 409.549 3.601 20 0 HHADMP CC(C)(C)[N@H+]1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000110149890 969630179 /nfs/dbraw/zinc/63/01/79/969630179.db2.gz JZGLBNSDDQTYHJ-OAQYLSRUSA-N 2 1 411.512 3.774 20 0 HHADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000110149890 969630181 /nfs/dbraw/zinc/63/01/81/969630181.db2.gz JZGLBNSDDQTYHJ-OAQYLSRUSA-N 2 1 411.512 3.774 20 0 HHADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000110149890 969630183 /nfs/dbraw/zinc/63/01/83/969630183.db2.gz JZGLBNSDDQTYHJ-OAQYLSRUSA-N 2 1 411.512 3.774 20 0 HHADMP CCC[C@H](NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000110427353 969666489 /nfs/dbraw/zinc/66/64/89/969666489.db2.gz OHPBTOIDUBEGHT-XARGGIHNSA-N 2 1 415.622 3.854 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)CC2)cs1 ZINC000110439169 969668340 /nfs/dbraw/zinc/66/83/40/969668340.db2.gz XXUXDMQSKYYUTM-QFIPXVFZSA-N 2 1 412.603 3.617 20 0 HHADMP CC[NH+](CC)[C@@H](C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000111072571 969772301 /nfs/dbraw/zinc/77/23/01/969772301.db2.gz UJQWBPVXHDTRRP-TYBLODHISA-N 2 1 423.601 3.995 20 0 HHADMP C[NH+]1CCC2(CC1)C[C@@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1O2 ZINC000195702062 969967878 /nfs/dbraw/zinc/96/78/78/969967878.db2.gz HKTFANUMOZTRRK-DHIUTWEWSA-N 2 1 419.569 3.755 20 0 HHADMP CC(C)COc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000236718263 970162509 /nfs/dbraw/zinc/16/25/09/970162509.db2.gz LVJXQZOYQGTXAW-HSZRJFAPSA-N 2 1 409.574 3.709 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2ccc(-n3cccn3)cc2)c1)C1CCOCC1 ZINC000237206266 970241181 /nfs/dbraw/zinc/24/11/81/970241181.db2.gz VYONYCOVXIRXQN-UHFFFAOYSA-N 2 1 420.557 3.652 20 0 HHADMP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000145400700 970259823 /nfs/dbraw/zinc/25/98/23/970259823.db2.gz UJOTYPPWZUOINB-OAQYLSRUSA-N 2 1 412.603 3.534 20 0 HHADMP C[C@H]1CCC[N@@H+](CCCCNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000145598024 970266296 /nfs/dbraw/zinc/26/62/96/970266296.db2.gz NULHTHXPMHLLLH-FQEVSTJZSA-N 2 1 402.652 3.627 20 0 HHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237342562 970267074 /nfs/dbraw/zinc/26/70/74/970267074.db2.gz BRHZKSZUKFOXOM-OAQYLSRUSA-N 2 1 405.586 3.999 20 0 HHADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000149017081 970379404 /nfs/dbraw/zinc/37/94/04/970379404.db2.gz AQFDKOWJMMYXPU-QUCCMNQESA-N 2 1 416.591 3.689 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(N4CCCCC4)cc3)c2)C1 ZINC000237923211 970395471 /nfs/dbraw/zinc/39/54/71/970395471.db2.gz BDWHYCADNFEKEC-XMMPIXPASA-N 2 1 420.601 3.664 20 0 HHADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1 ZINC000237932389 970397773 /nfs/dbraw/zinc/39/77/73/970397773.db2.gz HXAFLTVLVQEABC-HNNXBMFYSA-N 2 1 410.345 3.930 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1 ZINC000237932389 970397776 /nfs/dbraw/zinc/39/77/76/970397776.db2.gz HXAFLTVLVQEABC-HNNXBMFYSA-N 2 1 410.345 3.930 20 0 HHADMP O=C(Nc1cccc(C[NH2+]CCC[NH+]2CCC(O)CC2)c1)c1ccccc1Cl ZINC000238151963 970451376 /nfs/dbraw/zinc/45/13/76/970451376.db2.gz GMAHGBLVPOMDAS-UHFFFAOYSA-N 2 1 401.938 3.529 20 0 HHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000247527318 970475213 /nfs/dbraw/zinc/47/52/13/970475213.db2.gz ZUHRIOFBCWDMPL-YADHBBJMSA-N 2 1 411.615 3.989 20 0 HHADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000247527318 970475219 /nfs/dbraw/zinc/47/52/19/970475219.db2.gz ZUHRIOFBCWDMPL-YADHBBJMSA-N 2 1 411.615 3.989 20 0 HHADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000247527318 970475225 /nfs/dbraw/zinc/47/52/25/970475225.db2.gz ZUHRIOFBCWDMPL-YADHBBJMSA-N 2 1 411.615 3.989 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000410351751 973942022 /nfs/dbraw/zinc/94/20/22/973942022.db2.gz HHSKISXUUMTAAA-PXDATVDWSA-N 2 1 420.601 3.992 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000410351751 973942035 /nfs/dbraw/zinc/94/20/35/973942035.db2.gz HHSKISXUUMTAAA-PXDATVDWSA-N 2 1 420.601 3.992 20 0 HHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000410351751 973942052 /nfs/dbraw/zinc/94/20/52/973942052.db2.gz HHSKISXUUMTAAA-PXDATVDWSA-N 2 1 420.601 3.992 20 0 HHADMP CC1CC[NH+](CCCNC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000410361623 973954638 /nfs/dbraw/zinc/95/46/38/973954638.db2.gz CNKLURHFFMRKOC-NRFANRHFSA-N 2 1 400.611 3.840 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CC[NH+](Cc4ccccc4)C3)cc2)C1 ZINC000410377207 973974305 /nfs/dbraw/zinc/97/43/05/973974305.db2.gz YPMUVJFALHUZJC-OFVILXPXSA-N 2 1 420.601 3.992 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)C1 ZINC000410377207 973974317 /nfs/dbraw/zinc/97/43/17/973974317.db2.gz YPMUVJFALHUZJC-OFVILXPXSA-N 2 1 420.601 3.992 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)C1 ZINC000410377207 973974319 /nfs/dbraw/zinc/97/43/19/973974319.db2.gz YPMUVJFALHUZJC-OFVILXPXSA-N 2 1 420.601 3.992 20 0 HHADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000425962584 974066275 /nfs/dbraw/zinc/06/62/75/974066275.db2.gz YVKYYOCPLJFHDZ-SZPZYZBQSA-N 2 1 402.542 3.600 20 0 HHADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000425962584 974066284 /nfs/dbraw/zinc/06/62/84/974066284.db2.gz YVKYYOCPLJFHDZ-SZPZYZBQSA-N 2 1 402.542 3.600 20 0 HHADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000425962584 974066299 /nfs/dbraw/zinc/06/62/99/974066299.db2.gz YVKYYOCPLJFHDZ-SZPZYZBQSA-N 2 1 402.542 3.600 20 0 HHADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000425962584 974066309 /nfs/dbraw/zinc/06/63/09/974066309.db2.gz YVKYYOCPLJFHDZ-SZPZYZBQSA-N 2 1 402.542 3.600 20 0 HHADMP CC[N@@H+](CCNC(=O)N1CCC[NH+](Cc2ccccc2)C[C@H]1C)CCC(F)(F)F ZINC000425997797 974112657 /nfs/dbraw/zinc/11/26/57/974112657.db2.gz YXRBWTULZBAOGM-GOSISDBHSA-N 2 1 414.516 3.567 20 0 HHADMP CC[NH+](CCNC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)CCC(F)(F)F ZINC000425997797 974112663 /nfs/dbraw/zinc/11/26/63/974112663.db2.gz YXRBWTULZBAOGM-GOSISDBHSA-N 2 1 414.516 3.567 20 0 HHADMP CC[NH+](CCNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)CCC(F)(F)F ZINC000425997797 974112668 /nfs/dbraw/zinc/11/26/68/974112668.db2.gz YXRBWTULZBAOGM-GOSISDBHSA-N 2 1 414.516 3.567 20 0 HHADMP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426786676 974658650 /nfs/dbraw/zinc/65/86/50/974658650.db2.gz XHYUDAKYQYIQRK-HBMCJLEFSA-N 2 1 401.595 3.842 20 0 HHADMP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426786676 974658655 /nfs/dbraw/zinc/65/86/55/974658655.db2.gz XHYUDAKYQYIQRK-HBMCJLEFSA-N 2 1 401.595 3.842 20 0 HHADMP CSc1cccc(NC(=O)C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000426805796 974674212 /nfs/dbraw/zinc/67/42/12/974674212.db2.gz FSGUNDSRAPMMIX-QZTJIDSGSA-N 2 1 405.608 3.558 20 0 HHADMP CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426821458 974686776 /nfs/dbraw/zinc/68/67/76/974686776.db2.gz SUQMNRYMMKSTOV-QRVBRYPASA-N 2 1 419.635 3.947 20 0 HHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ncc(Br)cc3F)CC2)nc(C)[nH+]1 ZINC000427705221 975245232 /nfs/dbraw/zinc/24/52/32/975245232.db2.gz NFSZEKOVLHPIQT-LBPRGKRZSA-N 2 1 408.319 3.710 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000428107971 975440636 /nfs/dbraw/zinc/44/06/36/975440636.db2.gz ORSJCFMKUGAIFK-CEMLEFRQSA-N 2 1 410.562 3.769 20 0 HHADMP C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000428264300 975578902 /nfs/dbraw/zinc/57/89/02/975578902.db2.gz UXGLSJJWXXTXTF-TYBLODHISA-N 2 1 420.601 3.786 20 0 HHADMP C[C@@H](CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000428264300 975578913 /nfs/dbraw/zinc/57/89/13/975578913.db2.gz UXGLSJJWXXTXTF-TYBLODHISA-N 2 1 420.601 3.786 20 0 HHADMP C[C@@H](CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000428264300 975578927 /nfs/dbraw/zinc/57/89/27/975578927.db2.gz UXGLSJJWXXTXTF-TYBLODHISA-N 2 1 420.601 3.786 20 0 HHADMP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1CSCC[NH+]1Cc1ccccc1 ZINC000428762543 976034367 /nfs/dbraw/zinc/03/43/67/976034367.db2.gz UGARCKKKXPGKIZ-UNMCSNQZSA-N 2 1 418.651 3.558 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1CSCC[NH+]1Cc1ccccc1 ZINC000428762543 976034377 /nfs/dbraw/zinc/03/43/77/976034377.db2.gz UGARCKKKXPGKIZ-UNMCSNQZSA-N 2 1 418.651 3.558 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000428762543 976034390 /nfs/dbraw/zinc/03/43/90/976034390.db2.gz UGARCKKKXPGKIZ-UNMCSNQZSA-N 2 1 418.651 3.558 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000428762543 976034402 /nfs/dbraw/zinc/03/44/02/976034402.db2.gz UGARCKKKXPGKIZ-UNMCSNQZSA-N 2 1 418.651 3.558 20 0 HHADMP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1CSCC[NH+]1Cc1ccccc1 ZINC000428762541 976035055 /nfs/dbraw/zinc/03/50/55/976035055.db2.gz UGARCKKKXPGKIZ-RBBKRZOGSA-N 2 1 418.651 3.558 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1CSCC[NH+]1Cc1ccccc1 ZINC000428762541 976035067 /nfs/dbraw/zinc/03/50/67/976035067.db2.gz UGARCKKKXPGKIZ-RBBKRZOGSA-N 2 1 418.651 3.558 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000428762541 976035080 /nfs/dbraw/zinc/03/50/80/976035080.db2.gz UGARCKKKXPGKIZ-RBBKRZOGSA-N 2 1 418.651 3.558 20 0 HHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000428762541 976035093 /nfs/dbraw/zinc/03/50/93/976035093.db2.gz UGARCKKKXPGKIZ-RBBKRZOGSA-N 2 1 418.651 3.558 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)CC1 ZINC000428782707 976056698 /nfs/dbraw/zinc/05/66/98/976056698.db2.gz LKMBHOWYWOSJQB-GHTZIAJQSA-N 2 1 413.528 3.883 20 0 HHADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)CC1 ZINC000428782707 976056709 /nfs/dbraw/zinc/05/67/09/976056709.db2.gz LKMBHOWYWOSJQB-GHTZIAJQSA-N 2 1 413.528 3.883 20 0 HHADMP Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000428900497 976202469 /nfs/dbraw/zinc/20/24/69/976202469.db2.gz HVNCBYOTCPNANS-IFMALSPDSA-N 2 1 424.589 3.968 20 0 HHADMP C[C@@H]1C[NH+](CCC2CCN(C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)CC2)C[C@@H](C)O1 ZINC000428921910 976222051 /nfs/dbraw/zinc/22/20/51/976222051.db2.gz ONFOYINVWIBYKE-BHDDXSALSA-N 2 1 422.658 3.562 20 0 HHADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)NCCCC[NH+]3CCCC[C@H]3C)CC2)C[C@H](C)O1 ZINC000428921915 976222485 /nfs/dbraw/zinc/22/24/85/976222485.db2.gz ONFOYINVWIBYKE-VSKRKVRLSA-N 2 1 422.658 3.562 20 0 HHADMP C[C@@H]1C[NH+](CCC2CCN(C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)CC2)C[C@H](C)O1 ZINC000428921915 976222489 /nfs/dbraw/zinc/22/24/89/976222489.db2.gz ONFOYINVWIBYKE-VSKRKVRLSA-N 2 1 422.658 3.562 20 0 HHADMP C[C@@H]1C[NH+](CCC2CCN(C(=O)NCCCC[N@H+]3CCCC[C@H]3C)CC2)C[C@H](C)O1 ZINC000428921915 976222501 /nfs/dbraw/zinc/22/25/01/976222501.db2.gz ONFOYINVWIBYKE-VSKRKVRLSA-N 2 1 422.658 3.562 20 0 HHADMP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H](O)COc3ccc(C(C)(C)c4ccccc4)cc3)C2)C1 ZINC000429003073 976282913 /nfs/dbraw/zinc/28/29/13/976282913.db2.gz CVOUWLNZOBCDPP-BVAGGSTKSA-N 2 1 408.586 3.780 20 0 HHADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H](O)COc3ccc(C(C)(C)c4ccccc4)cc3)C2)C1 ZINC000429003073 976282918 /nfs/dbraw/zinc/28/29/18/976282918.db2.gz CVOUWLNZOBCDPP-BVAGGSTKSA-N 2 1 408.586 3.780 20 0 HHADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H](O)COc3ccc(C(C)(C)c4ccccc4)cc3)C2)C1 ZINC000429003073 976282928 /nfs/dbraw/zinc/28/29/28/976282928.db2.gz CVOUWLNZOBCDPP-BVAGGSTKSA-N 2 1 408.586 3.780 20 0 HHADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H](O)COc3ccc(C(C)(C)c4ccccc4)cc3)C2)C1 ZINC000429003073 976282938 /nfs/dbraw/zinc/28/29/38/976282938.db2.gz CVOUWLNZOBCDPP-BVAGGSTKSA-N 2 1 408.586 3.780 20 0 HHADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000429222412 976516099 /nfs/dbraw/zinc/51/60/99/976516099.db2.gz VKLIHPXNFYTFRP-FQEVSTJZSA-N 2 1 414.594 3.637 20 0 HHADMP CSC[C@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000429293875 976573733 /nfs/dbraw/zinc/57/37/33/976573733.db2.gz MLRGKETVOBTBLJ-PXNSSMCTSA-N 2 1 410.027 3.668 20 0 HHADMP CSC[C@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000429293875 976573739 /nfs/dbraw/zinc/57/37/39/976573739.db2.gz MLRGKETVOBTBLJ-PXNSSMCTSA-N 2 1 410.027 3.668 20 0 HHADMP C[C@@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000429421943 976699794 /nfs/dbraw/zinc/69/97/94/976699794.db2.gz YBHBFJUOEDSWEJ-PXDATVDWSA-N 2 1 411.590 3.569 20 0 HHADMP C[C@@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000429421943 976699801 /nfs/dbraw/zinc/69/98/01/976699801.db2.gz YBHBFJUOEDSWEJ-PXDATVDWSA-N 2 1 411.590 3.569 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)[C@@H](C)C1 ZINC000429457595 976731611 /nfs/dbraw/zinc/73/16/11/976731611.db2.gz UZFGGXDZLRDIOZ-ZMUKGBGYSA-N 2 1 406.586 3.626 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)C[C@@H]1C ZINC000429497573 976754139 /nfs/dbraw/zinc/75/41/39/976754139.db2.gz QXZQFUSAXLZNKN-VJBMBRPKSA-N 2 1 414.638 3.974 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)C[C@@H]1C ZINC000429497573 976754147 /nfs/dbraw/zinc/75/41/47/976754147.db2.gz QXZQFUSAXLZNKN-VJBMBRPKSA-N 2 1 414.638 3.974 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)C[C@@H]1C ZINC000429497573 976754163 /nfs/dbraw/zinc/75/41/63/976754163.db2.gz QXZQFUSAXLZNKN-VJBMBRPKSA-N 2 1 414.638 3.974 20 0 HHADMP COc1cccc([C@H](C)[NH+]2CCN(C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)c1 ZINC000429686969 976980183 /nfs/dbraw/zinc/98/01/83/976980183.db2.gz UMZDWVLTUWXSDW-BKMJKUGQSA-N 2 1 423.601 3.665 20 0 HHADMP COc1cccc([C@H](C)[NH+]2CCN(C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)c1 ZINC000429686969 976980190 /nfs/dbraw/zinc/98/01/90/976980190.db2.gz UMZDWVLTUWXSDW-BKMJKUGQSA-N 2 1 423.601 3.665 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000430670537 977681164 /nfs/dbraw/zinc/68/11/64/977681164.db2.gz NIQXKUNHCPWIBG-IRLDBZIGSA-N 2 1 419.560 3.723 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccccc1OCC1CC1 ZINC000430678319 977688847 /nfs/dbraw/zinc/68/88/47/977688847.db2.gz MDERCSGHHLOJKP-UHFFFAOYSA-N 2 1 413.606 3.744 20 0 HHADMP C[C@H](Sc1ccccc1)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430680866 977691705 /nfs/dbraw/zinc/69/17/05/977691705.db2.gz ZESQOBQNFSOTML-IBGZPJMESA-N 2 1 403.636 3.822 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cc2c(s1)CCCC2 ZINC000430681796 977691913 /nfs/dbraw/zinc/69/19/13/977691913.db2.gz RMUVTNLBJMWKQI-UHFFFAOYSA-N 2 1 403.636 3.895 20 0 HHADMP COc1ccc(Cl)cc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430683626 977693430 /nfs/dbraw/zinc/69/34/30/977693430.db2.gz XCIDYSKEZDXDGW-UHFFFAOYSA-N 2 1 407.986 3.617 20 0 HHADMP COc1ccccc1-n1nccc1C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000430757609 977734751 /nfs/dbraw/zinc/73/47/51/977734751.db2.gz WUYCOZZFJOGKOF-BGYRXZFFSA-N 2 1 412.578 3.592 20 0 HHADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430914279 977882935 /nfs/dbraw/zinc/88/29/35/977882935.db2.gz IXMQLEDYRWEEOP-SFHVURJKSA-N 2 1 421.029 3.795 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@H+](C)CC(=O)Nc3ccc(F)cc3Cl)CC2)CC1 ZINC000430922760 977889676 /nfs/dbraw/zinc/88/96/76/977889676.db2.gz CIVNFNFPNNCJMW-UHFFFAOYSA-N 2 1 424.992 3.546 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC(=O)Nc3ccc(F)cc3Cl)CC2)CC1 ZINC000430922760 977889684 /nfs/dbraw/zinc/88/96/84/977889684.db2.gz CIVNFNFPNNCJMW-UHFFFAOYSA-N 2 1 424.992 3.546 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C/C=C/c1cccc(F)c1 ZINC000431054740 977983351 /nfs/dbraw/zinc/98/33/51/977983351.db2.gz UNTILJXFIAAMBG-GQCTYLIASA-N 2 1 401.570 3.884 20 0 HHADMP Cc1cc(NC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000431511548 978340161 /nfs/dbraw/zinc/34/01/61/978340161.db2.gz AYGDDGJQUTYPHD-HXUWFJFHSA-N 2 1 423.605 3.740 20 0 HHADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000431662690 978419370 /nfs/dbraw/zinc/41/93/70/978419370.db2.gz RHMDGHUEWDUJIP-CTNGQTDRSA-N 2 1 401.599 3.559 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[NH+](C)C ZINC000431675911 978429093 /nfs/dbraw/zinc/42/90/93/978429093.db2.gz JZVCSOMDFMJJER-RRPUWOKSSA-N 2 1 424.589 3.650 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[NH+](C)C ZINC000431675911 978429096 /nfs/dbraw/zinc/42/90/96/978429096.db2.gz JZVCSOMDFMJJER-RRPUWOKSSA-N 2 1 424.589 3.650 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+](C)C ZINC000431675909 978429189 /nfs/dbraw/zinc/42/91/89/978429189.db2.gz JZVCSOMDFMJJER-NWSQWKLXSA-N 2 1 424.589 3.650 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+](C)C ZINC000431675909 978429191 /nfs/dbraw/zinc/42/91/91/978429191.db2.gz JZVCSOMDFMJJER-NWSQWKLXSA-N 2 1 424.589 3.650 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000431676750 978429618 /nfs/dbraw/zinc/42/96/18/978429618.db2.gz AIMYUDKFQAZJCS-AGILITTLSA-N 2 1 408.590 3.512 20 0 HHADMP C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000431689427 978437414 /nfs/dbraw/zinc/43/74/14/978437414.db2.gz YYCFLGJWZFNOES-QPPBQGQZSA-N 2 1 408.590 3.813 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCCOC1CCCCCC1 ZINC000431691350 978437992 /nfs/dbraw/zinc/43/79/92/978437992.db2.gz MJXNAMIVDLUXTK-UHFFFAOYSA-N 2 1 422.658 3.564 20 0 HHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000431690590 978438038 /nfs/dbraw/zinc/43/80/38/978438038.db2.gz KCBWMCSBKHQULN-PZJWPPBQSA-N 2 1 401.599 3.559 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000431691679 978438622 /nfs/dbraw/zinc/43/86/22/978438622.db2.gz LRCVUEKGLXFFDU-DENIHFKCSA-N 2 1 412.578 3.714 20 0 HHADMP C[C@H](CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC000431777258 978504978 /nfs/dbraw/zinc/50/49/78/978504978.db2.gz ALXTVZZNMJUVCA-LJQANCHMSA-N 2 1 418.601 3.767 20 0 HHADMP C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000431786613 978512887 /nfs/dbraw/zinc/51/28/87/978512887.db2.gz SZVNIOMHAMQKNE-WZONZLPQSA-N 2 1 416.585 3.552 20 0 HHADMP Cc1cc([C@@H](C)NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)o1 ZINC000431800059 978522725 /nfs/dbraw/zinc/52/27/25/978522725.db2.gz VSOXDZQIACVXAT-GOSISDBHSA-N 2 1 404.599 3.795 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000431800760 978523266 /nfs/dbraw/zinc/52/32/66/978523266.db2.gz MFDSOLXSNPCEJE-XZOQPEGZSA-N 2 1 416.585 3.519 20 0 HHADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CCCO1 ZINC000432357382 978775927 /nfs/dbraw/zinc/77/59/27/978775927.db2.gz LMSXBZGUUPQZBH-OAQYLSRUSA-N 2 1 419.573 3.584 20 0 HHADMP COc1cc(C[NH+]2CC[C@H](C)C[C@@H]2[C@H](C)O)cc(C[N@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)c1 ZINC000432791801 978975224 /nfs/dbraw/zinc/97/52/24/978975224.db2.gz IBLPFWAWDGOHMX-WXIZQPGUSA-N 2 1 418.622 3.658 20 0 HHADMP COc1cc(C[NH+]2CC[C@H](C)C[C@H]2[C@H](C)O)cc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c1 ZINC000432791801 978975226 /nfs/dbraw/zinc/97/52/26/978975226.db2.gz IBLPFWAWDGOHMX-WXIZQPGUSA-N 2 1 418.622 3.658 20 0 HHADMP COc1cc(C[NH+]2CC[C@H](C)C[C@H]2[C@H](C)O)cc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c1 ZINC000432791801 978975228 /nfs/dbraw/zinc/97/52/28/978975228.db2.gz IBLPFWAWDGOHMX-WXIZQPGUSA-N 2 1 418.622 3.658 20 0 HHADMP COc1cc(C[NH+]2CCC[C@@H]3COCC[C@@H]32)cc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000432824443 978985748 /nfs/dbraw/zinc/98/57/48/978985748.db2.gz SYGYEGLSEZMZKM-SDZTWWDVSA-N 2 1 414.590 3.697 20 0 HHADMP COc1ccccc1C[C@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000432836229 978987904 /nfs/dbraw/zinc/98/79/04/978987904.db2.gz SVGWZANJNQXWJS-NRFANRHFSA-N 2 1 423.601 3.647 20 0 HHADMP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)NCCCc1ccccc1 ZINC000433070122 979058024 /nfs/dbraw/zinc/05/80/24/979058024.db2.gz FTRNDISBWGAQKR-UHFFFAOYSA-N 2 1 405.586 3.724 20 0 HHADMP COCCn1c(C)cc(C(=O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1C ZINC000433109583 979077523 /nfs/dbraw/zinc/07/75/23/979077523.db2.gz FYQSCFDQXIBDHK-UHFFFAOYSA-N 2 1 423.601 3.922 20 0 HHADMP COCCn1c(C)cc(C(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1C ZINC000433109583 979077530 /nfs/dbraw/zinc/07/75/30/979077530.db2.gz FYQSCFDQXIBDHK-UHFFFAOYSA-N 2 1 423.601 3.922 20 0 HHADMP Cc1nc2ccccn2c(=O)c1CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433118838 979081771 /nfs/dbraw/zinc/08/17/71/979081771.db2.gz ZOBYXTNHRKAVSK-UHFFFAOYSA-N 2 1 416.569 3.534 20 0 HHADMP COc1cc(C[NH+]2CCC[C@@H]2[C@@H]2CCCO2)cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000433209517 979143156 /nfs/dbraw/zinc/14/31/56/979143156.db2.gz REWDZYYPYPKXIQ-NDBXHCKUSA-N 2 1 414.590 3.982 20 0 HHADMP COc1cc(C[NH+]2CCC[C@H]2[C@@H]2CCCO2)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000433209517 979143158 /nfs/dbraw/zinc/14/31/58/979143158.db2.gz REWDZYYPYPKXIQ-NDBXHCKUSA-N 2 1 414.590 3.982 20 0 HHADMP COc1cc(C[NH+]2CCC[C@H]2[C@@H]2CCCO2)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000433209517 979143162 /nfs/dbraw/zinc/14/31/62/979143162.db2.gz REWDZYYPYPKXIQ-NDBXHCKUSA-N 2 1 414.590 3.982 20 0 HHADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000433388563 979270426 /nfs/dbraw/zinc/27/04/26/979270426.db2.gz VBLNAEHLOONAAZ-KNQAVFIVSA-N 2 1 421.601 3.698 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000433916930 979678276 /nfs/dbraw/zinc/67/82/76/979678276.db2.gz BUZXBLUSUDDOFT-MMOPVJDHSA-N 2 1 422.976 3.788 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000433916930 979678284 /nfs/dbraw/zinc/67/82/84/979678284.db2.gz BUZXBLUSUDDOFT-MMOPVJDHSA-N 2 1 422.976 3.788 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000433916930 979678290 /nfs/dbraw/zinc/67/82/90/979678290.db2.gz BUZXBLUSUDDOFT-MMOPVJDHSA-N 2 1 422.976 3.788 20 0 HHADMP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cc(C)nn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000435525109 980919870 /nfs/dbraw/zinc/91/98/70/980919870.db2.gz HWVMTDVBQRFHFG-YADHBBJMSA-N 2 1 424.593 3.587 20 0 HHADMP CCC[NH+]1CCC(NC(=O)Nc2cc(C)nn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000435536745 980927757 /nfs/dbraw/zinc/92/77/57/980927757.db2.gz VFXPFFNFNYQQMB-QFIPXVFZSA-N 2 1 424.593 3.634 20 0 HHADMP CN(c1ccccc1)c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cn1 ZINC000435782202 981028974 /nfs/dbraw/zinc/02/89/74/981028974.db2.gz NKXHUGKFZHKIBX-DEOSSOPVSA-N 2 1 402.542 3.706 20 0 HHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cnn(Cc4ccc(F)cc4)c3)c2)CCO1 ZINC000436281896 981282556 /nfs/dbraw/zinc/28/25/56/981282556.db2.gz QSMDVCVCGXDFMV-LJQANCHMSA-N 2 1 408.521 3.581 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cnn(Cc4ccc(F)cc4)c3)c2)CCO1 ZINC000436281896 981282561 /nfs/dbraw/zinc/28/25/61/981282561.db2.gz QSMDVCVCGXDFMV-LJQANCHMSA-N 2 1 408.521 3.581 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000448210408 981623951 /nfs/dbraw/zinc/62/39/51/981623951.db2.gz ZYRWRMMFADRMTC-HFGNEKBZSA-N 2 1 410.606 3.555 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448210408 981623955 /nfs/dbraw/zinc/62/39/55/981623955.db2.gz ZYRWRMMFADRMTC-HFGNEKBZSA-N 2 1 410.606 3.555 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448210408 981623957 /nfs/dbraw/zinc/62/39/57/981623957.db2.gz ZYRWRMMFADRMTC-HFGNEKBZSA-N 2 1 410.606 3.555 20 0 HHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Cc1ccccc1 ZINC000448214365 981628638 /nfs/dbraw/zinc/62/86/38/981628638.db2.gz SKJAIBFBDZCKAS-OEMFJLHTSA-N 2 1 412.622 3.598 20 0 HHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000448217399 981632000 /nfs/dbraw/zinc/63/20/00/981632000.db2.gz MAWFHSORVUXEBE-FQEVSTJZSA-N 2 1 423.605 3.959 20 0 HHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000448217399 981632001 /nfs/dbraw/zinc/63/20/01/981632001.db2.gz MAWFHSORVUXEBE-FQEVSTJZSA-N 2 1 423.605 3.959 20 0 HHADMP Cn1cc[nH+]c1CC1CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000448219624 981634281 /nfs/dbraw/zinc/63/42/81/981634281.db2.gz IGOXSDFZIAKOOQ-UHFFFAOYSA-N 2 1 423.605 3.960 20 0 HHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc([C@H](C)N3CCOCC3)c2)C1 ZINC000448369636 981729171 /nfs/dbraw/zinc/72/91/71/981729171.db2.gz APLMSQIIOZJWSA-PMACEKPBSA-N 2 1 402.583 3.569 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000448467824 981804110 /nfs/dbraw/zinc/80/41/10/981804110.db2.gz RRYWRGSSIYFOQN-PMVMPFDFSA-N 2 1 400.611 3.831 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)[C@@H](C)C1 ZINC000448468504 981806993 /nfs/dbraw/zinc/80/69/93/981806993.db2.gz VLBWCCBUGWWFAQ-JTAQYXEDSA-N 2 1 400.611 3.933 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)[C@@H](C)C1 ZINC000448468504 981807000 /nfs/dbraw/zinc/80/70/00/981807000.db2.gz VLBWCCBUGWWFAQ-JTAQYXEDSA-N 2 1 400.611 3.933 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)[C@@H](C)C1 ZINC000448468504 981807007 /nfs/dbraw/zinc/80/70/07/981807007.db2.gz VLBWCCBUGWWFAQ-JTAQYXEDSA-N 2 1 400.611 3.933 20 0 HHADMP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)[C@@H](C)C1 ZINC000448520198 981848685 /nfs/dbraw/zinc/84/86/85/981848685.db2.gz IELUIZUFVLQZIX-CVDCTZTESA-N 2 1 412.578 3.783 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)[C@@H](C)C1 ZINC000448520198 981848701 /nfs/dbraw/zinc/84/87/01/981848701.db2.gz IELUIZUFVLQZIX-CVDCTZTESA-N 2 1 412.578 3.783 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)[C@@H](C)C1 ZINC000448520198 981848708 /nfs/dbraw/zinc/84/87/08/981848708.db2.gz IELUIZUFVLQZIX-CVDCTZTESA-N 2 1 412.578 3.783 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)[C@@H](C)C1 ZINC000448520198 981848722 /nfs/dbraw/zinc/84/87/22/981848722.db2.gz IELUIZUFVLQZIX-CVDCTZTESA-N 2 1 412.578 3.783 20 0 HHADMP Cn1cc[nH+]c1CC1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000448520833 981849245 /nfs/dbraw/zinc/84/92/45/981849245.db2.gz MAFZFCVSCUWFDA-GHTZIAJQSA-N 2 1 415.607 3.529 20 0 HHADMP Cn1cc[nH+]c1CC1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000448520833 981849254 /nfs/dbraw/zinc/84/92/54/981849254.db2.gz MAFZFCVSCUWFDA-GHTZIAJQSA-N 2 1 415.607 3.529 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000460161204 981933955 /nfs/dbraw/zinc/93/39/55/981933955.db2.gz KXDWLJSMDXXAOV-DQEYMECFSA-N 2 1 420.601 3.802 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000460161204 981933960 /nfs/dbraw/zinc/93/39/60/981933960.db2.gz KXDWLJSMDXXAOV-DQEYMECFSA-N 2 1 420.601 3.802 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000460161204 981933967 /nfs/dbraw/zinc/93/39/67/981933967.db2.gz KXDWLJSMDXXAOV-DQEYMECFSA-N 2 1 420.601 3.802 20 0 HHADMP CC1CC[NH+](CCCCNC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000460164585 981937113 /nfs/dbraw/zinc/93/71/13/981937113.db2.gz DFVVDWPBRIZZFH-BJKOFHAPSA-N 2 1 412.622 3.662 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000460168608 981940310 /nfs/dbraw/zinc/94/03/10/981940310.db2.gz JFWARCDXLPDZBQ-NHTMILBNSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000460168608 981940318 /nfs/dbraw/zinc/94/03/18/981940318.db2.gz JFWARCDXLPDZBQ-NHTMILBNSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000460168608 981940326 /nfs/dbraw/zinc/94/03/26/981940326.db2.gz JFWARCDXLPDZBQ-NHTMILBNSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000460355323 982128532 /nfs/dbraw/zinc/12/85/32/982128532.db2.gz WJWIPYDSHTWDLJ-YPGOJHLTSA-N 2 1 417.500 3.973 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000460355323 982128536 /nfs/dbraw/zinc/12/85/36/982128536.db2.gz WJWIPYDSHTWDLJ-YPGOJHLTSA-N 2 1 417.500 3.973 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N1CCSc2ccccc21 ZINC000460357751 982131541 /nfs/dbraw/zinc/13/15/41/982131541.db2.gz UZBOCPFHYBXUFS-HROJSSOGSA-N 2 1 409.599 3.872 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N1CCSc2ccccc21 ZINC000460357751 982131544 /nfs/dbraw/zinc/13/15/44/982131544.db2.gz UZBOCPFHYBXUFS-HROJSSOGSA-N 2 1 409.599 3.872 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000437644373 982264220 /nfs/dbraw/zinc/26/42/20/982264220.db2.gz VYFZRYGHGGHVEX-VWNXMTODSA-N 2 1 412.622 3.647 20 0 HHADMP O=C(NC[C@H]1CC[NH+](CCc2ccccc2)C1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437644373 982264230 /nfs/dbraw/zinc/26/42/30/982264230.db2.gz VYFZRYGHGGHVEX-VWNXMTODSA-N 2 1 412.622 3.647 20 0 HHADMP O=C(NC[C@H]1CC[NH+](CCc2ccccc2)C1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437644373 982264238 /nfs/dbraw/zinc/26/42/38/982264238.db2.gz VYFZRYGHGGHVEX-VWNXMTODSA-N 2 1 412.622 3.647 20 0 HHADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000437651892 982270364 /nfs/dbraw/zinc/27/03/64/982270364.db2.gz FZTAPSCKXJSHGQ-XMMPIXPASA-N 2 1 412.622 3.790 20 0 HHADMP CCCN(CC[NH+]1CCCCCC1)C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000460531801 982318989 /nfs/dbraw/zinc/31/89/89/982318989.db2.gz BPNIJAPSQREKTC-UHFFFAOYSA-N 2 1 401.599 3.656 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(OC)cc1C(F)(F)F ZINC000437732767 982324970 /nfs/dbraw/zinc/32/49/70/982324970.db2.gz FLYYLBXQHGPHJQ-HNNXBMFYSA-N 2 1 416.488 3.594 20 0 HHADMP C[C@@H]1CCN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000437741503 982330821 /nfs/dbraw/zinc/33/08/21/982330821.db2.gz BVUIMTHAVKQMFE-HXUWFJFHSA-N 2 1 410.562 3.755 20 0 HHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000437772631 982346895 /nfs/dbraw/zinc/34/68/95/982346895.db2.gz KGCHNHMNKKDLHE-MSOLQXFVSA-N 2 1 413.484 3.558 20 0 HHADMP CCOC(=O)Cn1nc(C)c(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1C ZINC000438087418 982580747 /nfs/dbraw/zinc/58/07/47/982580747.db2.gz LEKISBRIQHHZSL-SFHVURJKSA-N 2 1 412.578 3.727 20 0 HHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000438106205 982591973 /nfs/dbraw/zinc/59/19/73/982591973.db2.gz SFIDAPTUQYZLMD-NRFANRHFSA-N 2 1 404.624 3.616 20 0 HHADMP COC(=O)c1ccc(COc2ccccc2C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000438119287 982597535 /nfs/dbraw/zinc/59/75/35/982597535.db2.gz OWLJJYWRFLGFPC-OAQYLSRUSA-N 2 1 408.542 3.970 20 0 HHADMP COC(=O)c1ccc(COc2ccccc2C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000438119287 982597541 /nfs/dbraw/zinc/59/75/41/982597541.db2.gz OWLJJYWRFLGFPC-OAQYLSRUSA-N 2 1 408.542 3.970 20 0 HHADMP Cc1cc(CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cc(N2CCCC2)[nH+]1 ZINC000460956910 982689505 /nfs/dbraw/zinc/68/95/05/982689505.db2.gz DDWOQEHKLHVMOK-UHFFFAOYSA-N 2 1 413.610 3.833 20 0 HHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000461088146 982782772 /nfs/dbraw/zinc/78/27/72/982782772.db2.gz LXDPALDZWSWEEK-ILCQWTCRSA-N 2 1 402.579 3.753 20 0 HHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000439076384 983239414 /nfs/dbraw/zinc/23/94/14/983239414.db2.gz JDQQXTOEIKCYHO-ZWKOTPCHSA-N 2 1 411.546 3.725 20 0 HHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000439076384 983239418 /nfs/dbraw/zinc/23/94/18/983239418.db2.gz JDQQXTOEIKCYHO-ZWKOTPCHSA-N 2 1 411.546 3.725 20 0 HHADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000439199480 983307146 /nfs/dbraw/zinc/30/71/46/983307146.db2.gz NYZIMYYBHYGESP-PKTZIBPZSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000439199480 983307152 /nfs/dbraw/zinc/30/71/52/983307152.db2.gz NYZIMYYBHYGESP-PKTZIBPZSA-N 2 1 400.611 3.660 20 0 HHADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000439199480 983307157 /nfs/dbraw/zinc/30/71/57/983307157.db2.gz NYZIMYYBHYGESP-PKTZIBPZSA-N 2 1 400.611 3.660 20 0 HHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000439287996 983346733 /nfs/dbraw/zinc/34/67/33/983346733.db2.gz YKKMUFLTVHEXAM-ZCNNSNEGSA-N 2 1 424.511 3.548 20 0 HHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000439287996 983346739 /nfs/dbraw/zinc/34/67/39/983346739.db2.gz YKKMUFLTVHEXAM-ZCNNSNEGSA-N 2 1 424.511 3.548 20 0 HHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000439287996 983346742 /nfs/dbraw/zinc/34/67/42/983346742.db2.gz YKKMUFLTVHEXAM-ZCNNSNEGSA-N 2 1 424.511 3.548 20 0 HHADMP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000439361494 983379346 /nfs/dbraw/zinc/37/93/46/983379346.db2.gz VBKMRULPSCJSEJ-FXAWDEMLSA-N 2 1 420.648 3.966 20 0 HHADMP Cc1cc(NC(=O)N(C)CCC[NH+]2CCCC2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000439457695 983418981 /nfs/dbraw/zinc/41/89/81/983418981.db2.gz RCTRUMLBDLNOLA-QFIPXVFZSA-N 2 1 424.593 3.588 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(=O)N1CCc2ccccc21 ZINC000439600220 983466626 /nfs/dbraw/zinc/46/66/26/983466626.db2.gz VIMGMMDBIMQDKE-LJQANCHMSA-N 2 1 403.526 3.979 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(=O)NCc1ccc(F)cc1 ZINC000439608818 983470105 /nfs/dbraw/zinc/47/01/05/983470105.db2.gz BTNZZXUFQBYKKG-GOSISDBHSA-N 2 1 409.505 3.845 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000439756934 983526618 /nfs/dbraw/zinc/52/66/18/983526618.db2.gz MHWIRZRWXYTKCW-DENIHFKCSA-N 2 1 424.564 3.775 20 0 HHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000441249382 984137340 /nfs/dbraw/zinc/13/73/40/984137340.db2.gz YKXCWRHJEARMQR-OLMNPRSZSA-N 2 1 400.350 3.506 20 0 HHADMP C[NH+](C)CC1CCC(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000441521426 984301488 /nfs/dbraw/zinc/30/14/88/984301488.db2.gz HXXAQHIGOPEFFV-OOEPIQFGSA-N 2 1 412.622 3.805 20 0 HHADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000462048762 985023574 /nfs/dbraw/zinc/02/35/74/985023574.db2.gz LWFIEELBMACKGL-QHCPKHFHSA-N 2 1 413.606 3.583 20 0 HHADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000462048762 985023588 /nfs/dbraw/zinc/02/35/88/985023588.db2.gz LWFIEELBMACKGL-QHCPKHFHSA-N 2 1 413.606 3.583 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000462172404 985151527 /nfs/dbraw/zinc/15/15/27/985151527.db2.gz YYMFOPGMJHDITB-UPUUWEMXSA-N 2 1 421.585 3.546 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000462172404 985151532 /nfs/dbraw/zinc/15/15/32/985151532.db2.gz YYMFOPGMJHDITB-UPUUWEMXSA-N 2 1 421.585 3.546 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000462172404 985151555 /nfs/dbraw/zinc/15/15/55/985151555.db2.gz YYMFOPGMJHDITB-UPUUWEMXSA-N 2 1 421.585 3.546 20 0 HHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000462172404 985151560 /nfs/dbraw/zinc/15/15/60/985151560.db2.gz YYMFOPGMJHDITB-UPUUWEMXSA-N 2 1 421.585 3.546 20 0 HHADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000462251394 985234615 /nfs/dbraw/zinc/23/46/15/985234615.db2.gz AZXIXMJHMMWGLP-WMZHIEFXSA-N 2 1 424.614 3.877 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000462251394 985234630 /nfs/dbraw/zinc/23/46/30/985234630.db2.gz AZXIXMJHMMWGLP-WMZHIEFXSA-N 2 1 424.614 3.877 20 0 HHADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1(C)C ZINC000442875445 985254471 /nfs/dbraw/zinc/25/44/71/985254471.db2.gz WADVKKNYYPCLCE-GOSISDBHSA-N 2 1 402.583 3.942 20 0 HHADMP C[N@@H+]1CCN(CC[NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)CC1(C)C ZINC000442892886 985264375 /nfs/dbraw/zinc/26/43/75/985264375.db2.gz WPEGRSDNFOMTFX-LJQANCHMSA-N 2 1 406.368 3.747 20 0 HHADMP C[N@H+]1CCN(CC[NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)CC1(C)C ZINC000442892886 985264386 /nfs/dbraw/zinc/26/43/86/985264386.db2.gz WPEGRSDNFOMTFX-LJQANCHMSA-N 2 1 406.368 3.747 20 0 HHADMP CSC1(CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH+](C)CC1 ZINC000462515257 985465845 /nfs/dbraw/zinc/46/58/45/985465845.db2.gz WVLPFSFPAKDHIT-FPOVZHCZSA-N 2 1 418.651 3.508 20 0 HHADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000462538343 985486317 /nfs/dbraw/zinc/48/63/17/985486317.db2.gz RPAULOZKURCBFM-MRXNPFEDSA-N 2 1 402.505 3.507 20 0 HHADMP C[NH+](C)CCC1CCN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000462747899 985688977 /nfs/dbraw/zinc/68/89/77/985688977.db2.gz YCBQKMQPMYJADQ-HSZRJFAPSA-N 2 1 400.611 3.662 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000443636947 985820927 /nfs/dbraw/zinc/82/09/27/985820927.db2.gz HFQDYIPDCXTMNB-FAKFISEUSA-N 2 1 400.611 3.646 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000443636947 985820947 /nfs/dbraw/zinc/82/09/47/985820947.db2.gz HFQDYIPDCXTMNB-FAKFISEUSA-N 2 1 400.611 3.646 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000443636947 985820962 /nfs/dbraw/zinc/82/09/62/985820962.db2.gz HFQDYIPDCXTMNB-FAKFISEUSA-N 2 1 400.611 3.646 20 0 HHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1ccc(Br)cc1OCCCO ZINC000462966284 985912282 /nfs/dbraw/zinc/91/22/82/985912282.db2.gz NIANAZASCHCMLM-JEDBISTDSA-N 2 1 411.384 3.734 20 0 HHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000463008317 985961318 /nfs/dbraw/zinc/96/13/18/985961318.db2.gz GRMSLWYFZDXLKE-GBXCKJPGSA-N 2 1 408.590 3.800 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000463016657 985972880 /nfs/dbraw/zinc/97/28/80/985972880.db2.gz UWVCITSAZHZCTC-YKSBVNFPSA-N 2 1 406.574 3.602 20 0 HHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3nc4ccc(Br)cc4o3)CC2)C[C@H](C)O1 ZINC000463079560 986036489 /nfs/dbraw/zinc/03/64/89/986036489.db2.gz FBFJLDALHJQIGR-GJZGRUSLSA-N 2 1 422.367 3.912 20 0 HHADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463082287 986040303 /nfs/dbraw/zinc/04/03/03/986040303.db2.gz BPUKUOGLTULKQB-RDPSFJRHSA-N 2 1 421.585 3.529 20 0 HHADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463082287 986040313 /nfs/dbraw/zinc/04/03/13/986040313.db2.gz BPUKUOGLTULKQB-RDPSFJRHSA-N 2 1 421.585 3.529 20 0 HHADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000468376497 986075832 /nfs/dbraw/zinc/07/58/32/986075832.db2.gz DJLUOOVHAJXUSP-UHFFFAOYSA-N 2 1 411.550 3.850 20 0 HHADMP Fc1ccc(CC[NH+]2CCC(NC[C@H]3CC[N@@H+](CCc4ccccc4)C3)CC2)cc1 ZINC000463114469 986077719 /nfs/dbraw/zinc/07/77/19/986077719.db2.gz HNBJOVCRYQWGPV-XMMPIXPASA-N 2 1 409.593 3.987 20 0 HHADMP Fc1ccc(CCN2CCC([NH2+]C[C@H]3CC[N@H+](CCc4ccccc4)C3)CC2)cc1 ZINC000463114469 986077730 /nfs/dbraw/zinc/07/77/30/986077730.db2.gz HNBJOVCRYQWGPV-XMMPIXPASA-N 2 1 409.593 3.987 20 0 HHADMP Fc1ccc(CCN2CCC([NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)CC2)cc1 ZINC000463114469 986077744 /nfs/dbraw/zinc/07/77/44/986077744.db2.gz HNBJOVCRYQWGPV-XMMPIXPASA-N 2 1 409.593 3.987 20 0 HHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463153214 986124286 /nfs/dbraw/zinc/12/42/86/986124286.db2.gz AUJQGDBIDVLFIR-SQJMNOBHSA-N 3 1 407.602 3.786 20 0 HHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463153214 986124292 /nfs/dbraw/zinc/12/42/92/986124292.db2.gz AUJQGDBIDVLFIR-SQJMNOBHSA-N 3 1 407.602 3.786 20 0 HHADMP O=C1[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCN1CCCc1ccccc1 ZINC000463193247 986165981 /nfs/dbraw/zinc/16/59/81/986165981.db2.gz QTTUFIFSPRMREE-VWLOTQADSA-N 2 1 405.586 3.517 20 0 HHADMP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)c1 ZINC000463194773 986166966 /nfs/dbraw/zinc/16/69/66/986166966.db2.gz ZVSVLQGDGJVDDJ-FCEUIQTBSA-N 2 1 409.574 3.925 20 0 HHADMP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)c1 ZINC000463194773 986166972 /nfs/dbraw/zinc/16/69/72/986166972.db2.gz ZVSVLQGDGJVDDJ-FCEUIQTBSA-N 2 1 409.574 3.925 20 0 HHADMP Brc1cnn(CCCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000463243604 986211137 /nfs/dbraw/zinc/21/11/37/986211137.db2.gz MCZOHFVWTKUSLO-UHFFFAOYSA-N 2 1 405.384 3.723 20 0 HHADMP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC000444035243 986232007 /nfs/dbraw/zinc/23/20/07/986232007.db2.gz JCNBBZQLUPMVQO-MJGOQNOKSA-N 2 1 422.017 3.818 20 0 HHADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000463292576 986260137 /nfs/dbraw/zinc/26/01/37/986260137.db2.gz WHXJJKFSXOSTRY-LLVKDONJSA-N 2 1 405.178 3.615 20 0 HHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000463292576 986260151 /nfs/dbraw/zinc/26/01/51/986260151.db2.gz WHXJJKFSXOSTRY-LLVKDONJSA-N 2 1 405.178 3.615 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000444337210 986515550 /nfs/dbraw/zinc/51/55/50/986515550.db2.gz LLZSVBSPJIFRDF-MBSDFSHPSA-N 2 1 405.546 3.714 20 0 HHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000468923756 986629664 /nfs/dbraw/zinc/62/96/64/986629664.db2.gz IEHIRWGHSJFAMC-BKMJKUGQSA-N 3 1 406.618 3.829 20 0 HHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000468924345 986630859 /nfs/dbraw/zinc/63/08/59/986630859.db2.gz IEHIRWGHSJFAMC-NVQXNPDNSA-N 3 1 406.618 3.829 20 0 HHADMP Cc1cccc2nc(C3CC[NH+](CC(=O)NC[C@H](c4ccccc4)[NH+](C)C)CC3)oc21 ZINC000444773488 986932552 /nfs/dbraw/zinc/93/25/52/986932552.db2.gz RGFFSJLBMFGGPP-JOCHJYFZSA-N 2 1 420.557 3.735 20 0 HHADMP COc1ccc2[nH]c(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CCN(C)CC3)cc2c1 ZINC000469367109 987064557 /nfs/dbraw/zinc/06/45/57/987064557.db2.gz JKVZYQIGWXERQP-XZOQPEGZSA-N 2 1 412.578 3.586 20 0 HHADMP O=C(NCC1CC[NH+](C2CC2)CC1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000444966222 987098387 /nfs/dbraw/zinc/09/83/87/987098387.db2.gz KEPCUONSDJJTID-VWLOTQADSA-N 2 1 410.606 3.559 20 0 HHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000469412311 987103427 /nfs/dbraw/zinc/10/34/27/987103427.db2.gz QNYMGVBWKFZHFK-OAHLLOKOSA-N 2 1 405.493 3.835 20 0 HHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000469412311 987103431 /nfs/dbraw/zinc/10/34/31/987103431.db2.gz QNYMGVBWKFZHFK-OAHLLOKOSA-N 2 1 405.493 3.835 20 0 HHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000469440783 987127099 /nfs/dbraw/zinc/12/70/99/987127099.db2.gz NBOLAJBLKSRYQJ-IAGOWNOFSA-N 2 1 417.504 3.932 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000469440783 987127102 /nfs/dbraw/zinc/12/71/02/987127102.db2.gz NBOLAJBLKSRYQJ-IAGOWNOFSA-N 2 1 417.504 3.932 20 0 HHADMP CC(C)CN(CC(F)(F)F)C(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000469760151 987413364 /nfs/dbraw/zinc/41/33/64/987413364.db2.gz HMLMSIRPLMLHKR-QZTJIDSGSA-N 2 1 413.528 3.780 20 0 HHADMP Cc1ccccc1C[C@@H](C)NC(=O)CN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000469787781 987432811 /nfs/dbraw/zinc/43/28/11/987432811.db2.gz RERHLOUZDJHFRP-SRCYTUNASA-N 2 1 407.602 3.788 20 0 HHADMP Cc1ccccc1C[C@@H](C)NC(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000469787781 987432817 /nfs/dbraw/zinc/43/28/17/987432817.db2.gz RERHLOUZDJHFRP-SRCYTUNASA-N 2 1 407.602 3.788 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)[C@@H](C)C1 ZINC000469790665 987435413 /nfs/dbraw/zinc/43/54/13/987435413.db2.gz MKNOEWVVPDQTHP-ZJOUEHCJSA-N 2 1 415.578 3.679 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)[C@@H](C)C1 ZINC000469790665 987435415 /nfs/dbraw/zinc/43/54/15/987435415.db2.gz MKNOEWVVPDQTHP-ZJOUEHCJSA-N 2 1 415.578 3.679 20 0 HHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H](C)[C@H](n4ccnc4)C3)cc2)C1 ZINC000469866099 987503397 /nfs/dbraw/zinc/50/33/97/987503397.db2.gz OTDCBNHABKLFFE-TXTKFYIRSA-N 2 1 409.578 3.908 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000463964081 988077148 /nfs/dbraw/zinc/07/71/48/988077148.db2.gz LIGDJGSKVGUUJB-FCHUYYIVSA-N 2 1 410.562 3.580 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)[C@H]1c1cccs1 ZINC000463965944 988078800 /nfs/dbraw/zinc/07/88/00/988078800.db2.gz GDDMLHPIZHQLKB-LQWHRVPQSA-N 2 1 416.591 3.860 20 0 HHADMP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000464326972 988461443 /nfs/dbraw/zinc/46/14/43/988461443.db2.gz YOCVQDCEFHAEMP-IRLDBZIGSA-N 2 1 423.523 3.822 20 0 HHADMP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000464326972 988461454 /nfs/dbraw/zinc/46/14/54/988461454.db2.gz YOCVQDCEFHAEMP-IRLDBZIGSA-N 2 1 423.523 3.822 20 0 HHADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000464326972 988461464 /nfs/dbraw/zinc/46/14/64/988461464.db2.gz YOCVQDCEFHAEMP-IRLDBZIGSA-N 2 1 423.523 3.822 20 0 HHADMP CCS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C1 ZINC000464768945 988992238 /nfs/dbraw/zinc/99/22/38/988992238.db2.gz CPOWRDYQTIVXKW-YADHBBJMSA-N 2 1 403.636 3.635 20 0 HHADMP CCS[C@H]1CC[C@@H]([NH+](C)CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)C1 ZINC000464768945 988992245 /nfs/dbraw/zinc/99/22/45/988992245.db2.gz CPOWRDYQTIVXKW-YADHBBJMSA-N 2 1 403.636 3.635 20 0 HHADMP CCS[C@H]1CC[C@@H]([NH+](C)CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)C1 ZINC000464768945 988992268 /nfs/dbraw/zinc/99/22/68/988992268.db2.gz CPOWRDYQTIVXKW-YADHBBJMSA-N 2 1 403.636 3.635 20 0 HHADMP CC[C@@](C)([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1nc(C)cs1 ZINC000464804979 989035238 /nfs/dbraw/zinc/03/52/38/989035238.db2.gz KOLXNPAUQDMHNF-JOCHJYFZSA-N 2 1 400.592 3.579 20 0 HHADMP C/C=C/c1ccc(OC[C@H](O)C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(OC)c1 ZINC000470993721 989059128 /nfs/dbraw/zinc/05/91/28/989059128.db2.gz LJLKDXQNDNRYJY-GBQCUBBRSA-N 2 1 422.569 3.532 20 0 HHADMP C/C=C/c1ccc(OC[C@H](O)C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(OC)c1 ZINC000470993721 989059135 /nfs/dbraw/zinc/05/91/35/989059135.db2.gz LJLKDXQNDNRYJY-GBQCUBBRSA-N 2 1 422.569 3.532 20 0 HHADMP C/C=C/c1ccc(OC[C@H](O)C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(OC)c1 ZINC000470993721 989059145 /nfs/dbraw/zinc/05/91/45/989059145.db2.gz LJLKDXQNDNRYJY-GBQCUBBRSA-N 2 1 422.569 3.532 20 0 HHADMP C/C=C/c1ccc(OC[C@H](O)C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c(OC)c1 ZINC000470993721 989059152 /nfs/dbraw/zinc/05/91/52/989059152.db2.gz LJLKDXQNDNRYJY-GBQCUBBRSA-N 2 1 422.569 3.532 20 0 HHADMP Clc1cccc(-c2noc(CC[N@H+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)n2)c1 ZINC000471012045 989081601 /nfs/dbraw/zinc/08/16/01/989081601.db2.gz LUMBMSGVCHDZCB-BGYRXZFFSA-N 2 1 408.933 3.996 20 0 HHADMP Clc1cccc(-c2noc(CC[N@@H+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)n2)c1 ZINC000471012045 989081613 /nfs/dbraw/zinc/08/16/13/989081613.db2.gz LUMBMSGVCHDZCB-BGYRXZFFSA-N 2 1 408.933 3.996 20 0 HHADMP Clc1cccc(-c2noc(CC[NH+]3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)n2)c1 ZINC000471012045 989081626 /nfs/dbraw/zinc/08/16/26/989081626.db2.gz LUMBMSGVCHDZCB-BGYRXZFFSA-N 2 1 408.933 3.996 20 0 HHADMP Clc1cccc(-c2noc(CC[NH+]3C[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)n2)c1 ZINC000471012045 989081630 /nfs/dbraw/zinc/08/16/30/989081630.db2.gz LUMBMSGVCHDZCB-BGYRXZFFSA-N 2 1 408.933 3.996 20 0 HHADMP C[N@@H+](C[C@H](O)COc1cccc(C(F)(F)F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464845008 989095327 /nfs/dbraw/zinc/09/53/27/989095327.db2.gz CYGBOULSMOBEQE-CTNGQTDRSA-N 2 1 422.491 3.899 20 0 HHADMP C[NH+](C[C@H](O)COc1cccc(C(F)(F)F)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464845008 989095338 /nfs/dbraw/zinc/09/53/38/989095338.db2.gz CYGBOULSMOBEQE-CTNGQTDRSA-N 2 1 422.491 3.899 20 0 HHADMP C[NH+](C[C@H](O)COc1cccc(C(F)(F)F)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464845008 989095347 /nfs/dbraw/zinc/09/53/47/989095347.db2.gz CYGBOULSMOBEQE-CTNGQTDRSA-N 2 1 422.491 3.899 20 0 HHADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C1 ZINC000464958318 989257454 /nfs/dbraw/zinc/25/74/54/989257454.db2.gz ZQXPOPSDYPILSH-HXUWFJFHSA-N 2 1 412.578 3.689 20 0 HHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C1 ZINC000464958318 989257468 /nfs/dbraw/zinc/25/74/68/989257468.db2.gz ZQXPOPSDYPILSH-HXUWFJFHSA-N 2 1 412.578 3.689 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C1 ZINC000464958318 989257476 /nfs/dbraw/zinc/25/74/76/989257476.db2.gz ZQXPOPSDYPILSH-HXUWFJFHSA-N 2 1 412.578 3.689 20 0 HHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000464958318 989257483 /nfs/dbraw/zinc/25/74/83/989257483.db2.gz ZQXPOPSDYPILSH-HXUWFJFHSA-N 2 1 412.578 3.689 20 0 HHADMP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000471184793 989317478 /nfs/dbraw/zinc/31/74/78/989317478.db2.gz CBXGVSBODRVCNL-UHFFFAOYSA-N 2 1 406.530 3.604 20 0 HHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000465018046 989337374 /nfs/dbraw/zinc/33/73/74/989337374.db2.gz ZAECHPBYZIEAFM-RXVVDRJESA-N 2 1 407.002 3.754 20 0 HHADMP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000471217707 989360446 /nfs/dbraw/zinc/36/04/46/989360446.db2.gz BHEXYYCCFGYKHF-SFHVURJKSA-N 2 1 415.528 3.986 20 0 HHADMP C[C@@H](c1ccc(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000471288034 989445224 /nfs/dbraw/zinc/44/52/24/989445224.db2.gz PSJWTMRCQBWMDA-RBBKRZOGSA-N 2 1 422.573 3.723 20 0 HHADMP C[C@@H](c1ccc(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000471288034 989445229 /nfs/dbraw/zinc/44/52/29/989445229.db2.gz PSJWTMRCQBWMDA-RBBKRZOGSA-N 2 1 422.573 3.723 20 0 HHADMP C[C@@H](c1ccc(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000471288035 989445680 /nfs/dbraw/zinc/44/56/80/989445680.db2.gz PSJWTMRCQBWMDA-UNMCSNQZSA-N 2 1 422.573 3.723 20 0 HHADMP C[C@@H](c1ccc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000471288035 989445683 /nfs/dbraw/zinc/44/56/83/989445683.db2.gz PSJWTMRCQBWMDA-UNMCSNQZSA-N 2 1 422.573 3.723 20 0 HHADMP C[C@@H](C(=O)Nc1ccc(OCC[NH+]2CC[C@@H](C)C2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000465180524 989514548 /nfs/dbraw/zinc/51/45/48/989514548.db2.gz ADZUFLZTMHKGDU-UXHICEINSA-N 2 1 407.558 3.793 20 0 HHADMP C[C@@H](C(=O)Nc1ccc(OCC[NH+]2CC[C@@H](C)C2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000465180524 989514558 /nfs/dbraw/zinc/51/45/58/989514558.db2.gz ADZUFLZTMHKGDU-UXHICEINSA-N 2 1 407.558 3.793 20 0 HHADMP C[C@@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1)[NH+]1CCc2ccccc2C1 ZINC000465180524 989514565 /nfs/dbraw/zinc/51/45/65/989514565.db2.gz ADZUFLZTMHKGDU-UXHICEINSA-N 2 1 407.558 3.793 20 0 HHADMP C[C@@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1)[NH+]1CCc2ccccc2C1 ZINC000465180524 989514571 /nfs/dbraw/zinc/51/45/71/989514571.db2.gz ADZUFLZTMHKGDU-UXHICEINSA-N 2 1 407.558 3.793 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC[NH+]1CCc2ccccc2C1 ZINC000471381991 989560794 /nfs/dbraw/zinc/56/07/94/989560794.db2.gz DRNSYEQKCLZVKM-HSZRJFAPSA-N 2 1 405.586 3.805 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000471381991 989560798 /nfs/dbraw/zinc/56/07/98/989560798.db2.gz DRNSYEQKCLZVKM-HSZRJFAPSA-N 2 1 405.586 3.805 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000471381991 989560803 /nfs/dbraw/zinc/56/08/03/989560803.db2.gz DRNSYEQKCLZVKM-HSZRJFAPSA-N 2 1 405.586 3.805 20 0 HHADMP C[C@H](CCNC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000471441913 989625588 /nfs/dbraw/zinc/62/55/88/989625588.db2.gz FHXHEGLYNLIRCO-HXUWFJFHSA-N 2 1 411.615 3.876 20 0 HHADMP O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471507141 989705758 /nfs/dbraw/zinc/70/57/58/989705758.db2.gz WYRZAMPAUBCERX-JOCHJYFZSA-N 2 1 406.574 3.604 20 0 HHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471550536 989750862 /nfs/dbraw/zinc/75/08/62/989750862.db2.gz YOTAJFKLUMKPRZ-PLQXJYEYSA-N 2 1 420.601 3.802 20 0 HHADMP COc1ccc([C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[NH+]2CCCCC2)cc1 ZINC000465407336 989754462 /nfs/dbraw/zinc/75/44/62/989754462.db2.gz KFTYIFOJLYXAMM-ZYJGPIPZSA-N 2 1 414.594 3.537 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000465413995 989760302 /nfs/dbraw/zinc/76/03/02/989760302.db2.gz UDEJXJZUUQVDAT-SFTDATJTSA-N 2 1 414.619 3.904 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)C1 ZINC000465416866 989762774 /nfs/dbraw/zinc/76/27/74/989762774.db2.gz YFVAFOFYKUUETD-OFNKIYASSA-N 2 1 416.610 3.596 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H]1c1cccs1 ZINC000465431774 989777689 /nfs/dbraw/zinc/77/76/89/989777689.db2.gz KGUOZWHJAHROQH-KCZVDYSFSA-N 2 1 412.603 3.705 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1c1cccs1 ZINC000465431774 989777700 /nfs/dbraw/zinc/77/77/00/989777700.db2.gz KGUOZWHJAHROQH-KCZVDYSFSA-N 2 1 412.603 3.705 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1c1cccs1 ZINC000465431774 989777709 /nfs/dbraw/zinc/77/77/09/989777709.db2.gz KGUOZWHJAHROQH-KCZVDYSFSA-N 2 1 412.603 3.705 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000465523985 989878125 /nfs/dbraw/zinc/87/81/25/989878125.db2.gz COEVGSIENFWGIU-QHCPKHFHSA-N 2 1 420.601 3.598 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000465523985 989878133 /nfs/dbraw/zinc/87/81/33/989878133.db2.gz COEVGSIENFWGIU-QHCPKHFHSA-N 2 1 420.601 3.598 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000465523985 989878140 /nfs/dbraw/zinc/87/81/40/989878140.db2.gz COEVGSIENFWGIU-QHCPKHFHSA-N 2 1 420.601 3.598 20 0 HHADMP CC(C)(CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000471681855 989885590 /nfs/dbraw/zinc/88/55/90/989885590.db2.gz AXGHWSULWVVAEZ-QFIPXVFZSA-N 2 1 420.601 3.645 20 0 HHADMP CC(C)(CNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000471681855 989885601 /nfs/dbraw/zinc/88/56/01/989885601.db2.gz AXGHWSULWVVAEZ-QFIPXVFZSA-N 2 1 420.601 3.645 20 0 HHADMP CC(C)(CNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000471681855 989885618 /nfs/dbraw/zinc/88/56/18/989885618.db2.gz AXGHWSULWVVAEZ-QFIPXVFZSA-N 2 1 420.601 3.645 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000465532716 989893304 /nfs/dbraw/zinc/89/33/04/989893304.db2.gz VQEIAXQCRWBYRQ-TZIWHRDSSA-N 2 1 404.599 3.592 20 0 HHADMP CCC(CC)[C@@H](CNC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1)[NH+]1CCCC1 ZINC000465583081 989955717 /nfs/dbraw/zinc/95/57/17/989955717.db2.gz WIGWJFSJTIXYHY-OAQYLSRUSA-N 2 1 401.599 3.559 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1oc2ccccc2c1C ZINC000465650841 990037371 /nfs/dbraw/zinc/03/73/71/990037371.db2.gz DATHXGFQGIJJML-MOPGFXCFSA-N 2 1 400.567 3.860 20 0 HHADMP COc1ccccc1[C@@H](CNC(=O)NCCCCn1cc[nH+]c1C)[NH+]1CCCCC1 ZINC000465683309 990068246 /nfs/dbraw/zinc/06/82/46/990068246.db2.gz ICGNSBYIIKSVSU-OAQYLSRUSA-N 2 1 413.566 3.507 20 0 HHADMP C[C@@H](CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000465689193 990074726 /nfs/dbraw/zinc/07/47/26/990074726.db2.gz GRSYZEOBADOTTQ-GMAHTHKFSA-N 2 1 420.601 3.597 20 0 HHADMP C[C@@H](CNC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000465689193 990074738 /nfs/dbraw/zinc/07/47/38/990074738.db2.gz GRSYZEOBADOTTQ-GMAHTHKFSA-N 2 1 420.601 3.597 20 0 HHADMP C[C@@H](CNC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000465689193 990074747 /nfs/dbraw/zinc/07/47/47/990074747.db2.gz GRSYZEOBADOTTQ-GMAHTHKFSA-N 2 1 420.601 3.597 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000465724409 990110340 /nfs/dbraw/zinc/11/03/40/990110340.db2.gz RBEYIOPIMXHHAD-MRXNPFEDSA-N 2 1 424.014 3.507 20 0 HHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000465755247 990141313 /nfs/dbraw/zinc/14/13/13/990141313.db2.gz OCKJGEWIGVKNPW-XMMPIXPASA-N 2 1 408.590 3.672 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000465755247 990141317 /nfs/dbraw/zinc/14/13/17/990141317.db2.gz OCKJGEWIGVKNPW-XMMPIXPASA-N 2 1 408.590 3.672 20 0 HHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000465755247 990141322 /nfs/dbraw/zinc/14/13/22/990141322.db2.gz OCKJGEWIGVKNPW-XMMPIXPASA-N 2 1 408.590 3.672 20 0 HHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000465760138 990145776 /nfs/dbraw/zinc/14/57/76/990145776.db2.gz SNSSOKRQWYKMOF-HBFSDRIKSA-N 2 1 406.640 3.941 20 0 HHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000465760138 990145780 /nfs/dbraw/zinc/14/57/80/990145780.db2.gz SNSSOKRQWYKMOF-HBFSDRIKSA-N 2 1 406.640 3.941 20 0 HHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000465760138 990145782 /nfs/dbraw/zinc/14/57/82/990145782.db2.gz SNSSOKRQWYKMOF-HBFSDRIKSA-N 2 1 406.640 3.941 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CC1 ZINC000465787237 990169649 /nfs/dbraw/zinc/16/96/49/990169649.db2.gz LYTXRNPICUPOQS-UHFFFAOYSA-N 2 1 412.578 3.833 20 0 HHADMP CCC[NH+]1CCC(CNC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CC1 ZINC000465787237 990169654 /nfs/dbraw/zinc/16/96/54/990169654.db2.gz LYTXRNPICUPOQS-UHFFFAOYSA-N 2 1 412.578 3.833 20 0 HHADMP C[C@@H](CCNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000472009282 990177283 /nfs/dbraw/zinc/17/72/83/990177283.db2.gz MUTWESHYINPMMX-URXFXBBRSA-N 2 1 408.590 3.718 20 0 HHADMP C[C@@H](CCNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000472009282 990177289 /nfs/dbraw/zinc/17/72/89/990177289.db2.gz MUTWESHYINPMMX-URXFXBBRSA-N 2 1 408.590 3.718 20 0 HHADMP C[C@@H](CCNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000472009282 990177291 /nfs/dbraw/zinc/17/72/91/990177291.db2.gz MUTWESHYINPMMX-URXFXBBRSA-N 2 1 408.590 3.718 20 0 HHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000465819660 990203003 /nfs/dbraw/zinc/20/30/03/990203003.db2.gz VYJHOUUMZBUEGQ-UXHICEINSA-N 2 1 404.624 3.524 20 0 HHADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000465819660 990203008 /nfs/dbraw/zinc/20/30/08/990203008.db2.gz VYJHOUUMZBUEGQ-UXHICEINSA-N 2 1 404.624 3.524 20 0 HHADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465819660 990203014 /nfs/dbraw/zinc/20/30/14/990203014.db2.gz VYJHOUUMZBUEGQ-UXHICEINSA-N 2 1 404.624 3.524 20 0 HHADMP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC[N@@H+]1C ZINC000465878860 990996531 /nfs/dbraw/zinc/99/65/31/990996531.db2.gz YAPPDTDSLFPCOP-WMLDXEAASA-N 2 1 413.393 3.740 20 0 HHADMP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC[N@H+]1C ZINC000465878860 990996543 /nfs/dbraw/zinc/99/65/43/990996543.db2.gz YAPPDTDSLFPCOP-WMLDXEAASA-N 2 1 413.393 3.740 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000465888363 991012185 /nfs/dbraw/zinc/01/21/85/991012185.db2.gz CXBPDLFRDUZDJR-FGZHOGPDSA-N 2 1 404.574 3.724 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000465895531 991022003 /nfs/dbraw/zinc/02/20/03/991022003.db2.gz BZGVESIGMTZLEJ-XJUOHMSHSA-N 2 1 400.611 3.803 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000465895531 991022010 /nfs/dbraw/zinc/02/20/10/991022010.db2.gz BZGVESIGMTZLEJ-XJUOHMSHSA-N 2 1 400.611 3.803 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000465895531 991022021 /nfs/dbraw/zinc/02/20/21/991022021.db2.gz BZGVESIGMTZLEJ-XJUOHMSHSA-N 2 1 400.611 3.803 20 0 HHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000465932751 991068360 /nfs/dbraw/zinc/06/83/60/991068360.db2.gz RNOJVBBXVPYHMA-JWQCQUIFSA-N 2 1 420.601 3.815 20 0 HHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000465932751 991068369 /nfs/dbraw/zinc/06/83/69/991068369.db2.gz RNOJVBBXVPYHMA-JWQCQUIFSA-N 2 1 420.601 3.815 20 0 HHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000465932751 991068387 /nfs/dbraw/zinc/06/83/87/991068387.db2.gz RNOJVBBXVPYHMA-JWQCQUIFSA-N 2 1 420.601 3.815 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)CC2)[nH+]c1 ZINC000465958001 991100256 /nfs/dbraw/zinc/10/02/56/991100256.db2.gz NNOBZEDAQRPUOB-RTWAWAEBSA-N 2 1 413.610 3.655 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)CC2)[nH+]c1 ZINC000465958001 991100259 /nfs/dbraw/zinc/10/02/59/991100259.db2.gz NNOBZEDAQRPUOB-RTWAWAEBSA-N 2 1 413.610 3.655 20 0 HHADMP Cc1ccc(N2CCC(NC(=O)N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)CC2)[nH+]c1 ZINC000465961843 991106834 /nfs/dbraw/zinc/10/68/34/991106834.db2.gz QTMGRSXJWPVFAB-NRFANRHFSA-N 2 1 413.610 3.512 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)o1 ZINC000466070828 991242700 /nfs/dbraw/zinc/24/27/00/991242700.db2.gz AFVHFAJPTNEXAO-RXVVDRJESA-N 2 1 418.607 3.806 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)o1 ZINC000466070827 991242834 /nfs/dbraw/zinc/24/28/34/991242834.db2.gz AFVHFAJPTNEXAO-NQIIRXRSSA-N 2 1 418.607 3.806 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CCC[NH+](C3CCCC3)CC2)[C@H]1c1cccs1 ZINC000466107343 991284660 /nfs/dbraw/zinc/28/46/60/991284660.db2.gz URUHQIRRRIBFAU-NQIIRXRSSA-N 2 1 404.624 3.791 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)[C@H]1c1cccs1 ZINC000466107343 991284666 /nfs/dbraw/zinc/28/46/66/991284666.db2.gz URUHQIRRRIBFAU-NQIIRXRSSA-N 2 1 404.624 3.791 20 0 HHADMP C[NH+]1CCC[C@H](CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)[C@H]1c1cccs1 ZINC000466107343 991284675 /nfs/dbraw/zinc/28/46/75/991284675.db2.gz URUHQIRRRIBFAU-NQIIRXRSSA-N 2 1 404.624 3.791 20 0 HHADMP C[N@H+]1CCC[C@@H](CNC(=O)N2CCC[NH+](C3CCCC3)CC2)[C@H]1c1cccs1 ZINC000466107344 991284691 /nfs/dbraw/zinc/28/46/91/991284691.db2.gz URUHQIRRRIBFAU-RXVVDRJESA-N 2 1 404.624 3.791 20 0 HHADMP C[NH+]1CCC[C@@H](CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)[C@H]1c1cccs1 ZINC000466107344 991284695 /nfs/dbraw/zinc/28/46/95/991284695.db2.gz URUHQIRRRIBFAU-RXVVDRJESA-N 2 1 404.624 3.791 20 0 HHADMP C[NH+]1CCC[C@@H](CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)[C@H]1c1cccs1 ZINC000466107344 991284702 /nfs/dbraw/zinc/28/47/02/991284702.db2.gz URUHQIRRRIBFAU-RXVVDRJESA-N 2 1 404.624 3.791 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000466291959 991541936 /nfs/dbraw/zinc/54/19/36/991541936.db2.gz WQTQVYLTGJWRPR-BJKOFHAPSA-N 2 1 412.622 3.805 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466291959 991541958 /nfs/dbraw/zinc/54/19/58/991541958.db2.gz WQTQVYLTGJWRPR-BJKOFHAPSA-N 2 1 412.622 3.805 20 0 HHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466291959 991541967 /nfs/dbraw/zinc/54/19/67/991541967.db2.gz WQTQVYLTGJWRPR-BJKOFHAPSA-N 2 1 412.622 3.805 20 0 HHADMP C[C@H]1C[C@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000466512277 991798190 /nfs/dbraw/zinc/79/81/90/991798190.db2.gz DRKKXQOVZGGNLB-FPOVZHCZSA-N 2 1 410.562 3.548 20 0 HHADMP C[C@@H]1C[C@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000466525163 991820675 /nfs/dbraw/zinc/82/06/75/991820675.db2.gz GIJQWQRWPMPMAT-QPPBQGQZSA-N 2 1 420.601 3.955 20 0 HHADMP C[C@@H](c1ccc(NC(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1)[NH+]1CCOCC1 ZINC000466564871 991878433 /nfs/dbraw/zinc/87/84/33/991878433.db2.gz SEZSRBMAGVEKKG-IBGZPJMESA-N 2 1 410.562 3.506 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000466797705 992104484 /nfs/dbraw/zinc/10/44/84/992104484.db2.gz XICPTBNSZRPYIN-RDPSFJRHSA-N 2 1 408.590 3.501 20 0 HHADMP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466912437 992227271 /nfs/dbraw/zinc/22/72/71/992227271.db2.gz KIMAYEZLIHCLLA-INIZCTEOSA-N 2 1 413.484 3.609 20 0 HHADMP C[C@H]1C[C@@H](CCNC(=O)NCc2ccc(CC[NH+](C)C)cc2)C[N@H+]1Cc1ccccc1 ZINC000467089124 992394710 /nfs/dbraw/zinc/39/47/10/992394710.db2.gz CDCCVLITFFGNTR-SQJMNOBHSA-N 2 1 422.617 3.891 20 0 HHADMP C[NH+](C)CCc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000467097112 992402572 /nfs/dbraw/zinc/40/25/72/992402572.db2.gz VYKSQXRFHSBDRX-UNMCSNQZSA-N 2 1 414.619 3.735 20 0 HHADMP CSc1ccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)cc1 ZINC000467838855 993070189 /nfs/dbraw/zinc/07/01/89/993070189.db2.gz LFGCWCXLWHMYES-GOSISDBHSA-N 2 1 413.587 3.920 20 0 HHADMP CCN(CCC[NH+]1CCCC1)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000472094598 993143773 /nfs/dbraw/zinc/14/37/73/993143773.db2.gz MMMLJBYDAPEIQA-OAQYLSRUSA-N 2 1 400.611 3.936 20 0 HHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000472258474 993284214 /nfs/dbraw/zinc/28/42/14/993284214.db2.gz KEQNVNFFQKQGRB-RDJZCZTQSA-N 2 1 416.393 3.603 20 0 HHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000472258474 993284223 /nfs/dbraw/zinc/28/42/23/993284223.db2.gz KEQNVNFFQKQGRB-RDJZCZTQSA-N 2 1 416.393 3.603 20 0 HHADMP C[C@@H]1CCN(C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000472293785 993308448 /nfs/dbraw/zinc/30/84/48/993308448.db2.gz CAVPKTCPKAVZNP-RDGATRHJSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000472293785 993308454 /nfs/dbraw/zinc/30/84/54/993308454.db2.gz CAVPKTCPKAVZNP-RDGATRHJSA-N 2 1 420.601 3.815 20 0 HHADMP C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000472293785 993308461 /nfs/dbraw/zinc/30/84/61/993308461.db2.gz CAVPKTCPKAVZNP-RDGATRHJSA-N 2 1 420.601 3.815 20 0 HHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000472313973 993325549 /nfs/dbraw/zinc/32/55/49/993325549.db2.gz LEOXRJMTPRVQES-BJKOFHAPSA-N 2 1 412.622 3.662 20 0 HHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCCC[C@@H]2c2cccn2C)CC1 ZINC000472335197 993343918 /nfs/dbraw/zinc/34/39/18/993343918.db2.gz KDRBBCLYBUUCAX-XMMPIXPASA-N 2 1 408.590 3.595 20 0 HHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCCC[C@@H]2c2cccn2C)CC1 ZINC000472335197 993343923 /nfs/dbraw/zinc/34/39/23/993343923.db2.gz KDRBBCLYBUUCAX-XMMPIXPASA-N 2 1 408.590 3.595 20 0 HHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCCC[C@@H]2c2cccn2C)CC1 ZINC000472335197 993343926 /nfs/dbraw/zinc/34/39/26/993343926.db2.gz KDRBBCLYBUUCAX-XMMPIXPASA-N 2 1 408.590 3.595 20 0 HHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCCC[C@@H]2c2cccn2C)CC1 ZINC000472335197 993343932 /nfs/dbraw/zinc/34/39/32/993343932.db2.gz KDRBBCLYBUUCAX-XMMPIXPASA-N 2 1 408.590 3.595 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000472486003 993488514 /nfs/dbraw/zinc/48/85/14/993488514.db2.gz ILQOJNDGVPZMOK-VWNXMTODSA-N 2 1 423.605 3.537 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000472486002 993488605 /nfs/dbraw/zinc/48/86/05/993488605.db2.gz ILQOJNDGVPZMOK-UPVQGACJSA-N 2 1 423.605 3.537 20 0 HHADMP Ic1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCCO2 ZINC000480759851 993624956 /nfs/dbraw/zinc/62/49/56/993624956.db2.gz PSSWREHEYICWLZ-SUMWQHHRSA-N 2 1 412.315 3.579 20 0 HHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000480778540 993644940 /nfs/dbraw/zinc/64/49/40/993644940.db2.gz IDTJQJJURRDFHQ-NTKDMRAZSA-N 2 1 420.601 3.946 20 0 HHADMP COc1ccc([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1NC(C)=O ZINC000480779468 993645949 /nfs/dbraw/zinc/64/59/49/993645949.db2.gz LDOXMKHIEXZRKA-CYFREDJKSA-N 2 1 424.589 3.683 20 0 HHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000480781025 993648804 /nfs/dbraw/zinc/64/88/04/993648804.db2.gz PYJAOLCKPIQLPI-BKMJKUGQSA-N 2 1 422.617 3.553 20 0 HHADMP CC1(C)C[C@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)c2ccccc21 ZINC000480909252 993765219 /nfs/dbraw/zinc/76/52/19/993765219.db2.gz HMGPJSURLQLLPN-QHCPKHFHSA-N 2 1 407.558 3.860 20 0 HHADMP C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000481024407 993868175 /nfs/dbraw/zinc/86/81/75/993868175.db2.gz YNAAXNGRXNRNNN-DVECYGJZSA-N 2 1 424.564 3.752 20 0 HHADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481169754 994001575 /nfs/dbraw/zinc/00/15/75/994001575.db2.gz FQQVUSHWARUHAD-UZKOGDIHSA-N 2 1 402.966 3.888 20 0 HHADMP CC(C)OCc1ccccc1CNC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481176175 994006688 /nfs/dbraw/zinc/00/66/88/994006688.db2.gz LNBJYKVALUCTNA-PXDATVDWSA-N 2 1 423.601 3.728 20 0 HHADMP CC(C)OCc1ccccc1CNC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481176175 994006693 /nfs/dbraw/zinc/00/66/93/994006693.db2.gz LNBJYKVALUCTNA-PXDATVDWSA-N 2 1 423.601 3.728 20 0 HHADMP Cc1ccc(CN(C(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C2CC2)cc1 ZINC000481187027 994019203 /nfs/dbraw/zinc/01/92/03/994019203.db2.gz GSLLIFNPFDUPNY-BWKNWUBXSA-N 2 1 405.586 3.986 20 0 HHADMP Cc1ccc(CN(C(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C2CC2)cc1 ZINC000481187027 994019210 /nfs/dbraw/zinc/01/92/10/994019210.db2.gz GSLLIFNPFDUPNY-BWKNWUBXSA-N 2 1 405.586 3.986 20 0 HHADMP COc1ccc(CN(C(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C2CC2)cc1 ZINC000481200362 994034340 /nfs/dbraw/zinc/03/43/40/994034340.db2.gz QGVQDOUKMXYONJ-CPJSRVTESA-N 2 1 421.585 3.686 20 0 HHADMP COc1ccc(CN(C(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C2CC2)cc1 ZINC000481200362 994034345 /nfs/dbraw/zinc/03/43/45/994034345.db2.gz QGVQDOUKMXYONJ-CPJSRVTESA-N 2 1 421.585 3.686 20 0 HHADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(S(=O)(=O)NC3CCCCCC3)c2)C1 ZINC000481318323 994137506 /nfs/dbraw/zinc/13/75/06/994137506.db2.gz KBMSJKTXWQBBKU-OALUTQOASA-N 2 1 407.624 3.680 20 0 HHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(S(=O)(=O)NC3CCCCCC3)c2)C1 ZINC000481318323 994137510 /nfs/dbraw/zinc/13/75/10/994137510.db2.gz KBMSJKTXWQBBKU-OALUTQOASA-N 2 1 407.624 3.680 20 0 HHADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000473298459 994153989 /nfs/dbraw/zinc/15/39/89/994153989.db2.gz CDQWMCMVNQZJTJ-DHIUTWEWSA-N 2 1 409.549 3.676 20 0 HHADMP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000473298459 994153996 /nfs/dbraw/zinc/15/39/96/994153996.db2.gz CDQWMCMVNQZJTJ-DHIUTWEWSA-N 2 1 409.549 3.676 20 0 HHADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000473298459 994154003 /nfs/dbraw/zinc/15/40/03/994154003.db2.gz CDQWMCMVNQZJTJ-DHIUTWEWSA-N 2 1 409.549 3.676 20 0 HHADMP CC(C)C[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCCc2cccnc21 ZINC000481348060 994171010 /nfs/dbraw/zinc/17/10/10/994171010.db2.gz PVWRJLLPNKCHKN-DHIUTWEWSA-N 2 1 408.590 3.836 20 0 HHADMP O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000473516643 994370541 /nfs/dbraw/zinc/37/05/41/994370541.db2.gz CYIFGGWNTRGRIK-PELRDEGISA-N 2 1 423.523 3.820 20 0 HHADMP CCN(C(=O)NC[C@@H]1CC[NH+](CC(C)C)C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473746592 994650844 /nfs/dbraw/zinc/65/08/44/994650844.db2.gz HECISPNXNWHFNW-FUPPJEDESA-N 2 1 400.611 3.831 20 0 HHADMP CCN(C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000473746592 994650848 /nfs/dbraw/zinc/65/08/48/994650848.db2.gz HECISPNXNWHFNW-FUPPJEDESA-N 2 1 400.611 3.831 20 0 HHADMP CCN(C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000473746592 994650853 /nfs/dbraw/zinc/65/08/53/994650853.db2.gz HECISPNXNWHFNW-FUPPJEDESA-N 2 1 400.611 3.831 20 0 HHADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 ZINC000481927447 994799779 /nfs/dbraw/zinc/79/97/79/994799779.db2.gz RCGAQBWTYIYYNQ-GOSISDBHSA-N 2 1 408.608 3.554 20 0 HHADMP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)CC[N@H+]2C2CC2)c1 ZINC000482050406 994975503 /nfs/dbraw/zinc/97/55/03/994975503.db2.gz PMWMXXQLPLMMLU-VEXUSMLFSA-N 2 1 411.590 3.744 20 0 HHADMP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC[NH+]2C2CC2)c1 ZINC000482050406 994975513 /nfs/dbraw/zinc/97/55/13/994975513.db2.gz PMWMXXQLPLMMLU-VEXUSMLFSA-N 2 1 411.590 3.744 20 0 HHADMP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)CC[NH+]2C2CC2)c1 ZINC000482050406 994975523 /nfs/dbraw/zinc/97/55/23/994975523.db2.gz PMWMXXQLPLMMLU-VEXUSMLFSA-N 2 1 411.590 3.744 20 0 HHADMP COc1cccc([C@H]2[C@@H](NC(=O)c3cccc(C[NH+]4CCCC4)c3)CC[N@H+]2C2CC2)c1 ZINC000482084859 995024542 /nfs/dbraw/zinc/02/45/42/995024542.db2.gz QHSJGSJQCCPQGV-DQEYMECFSA-N 2 1 419.569 3.999 20 0 HHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000482139341 995089479 /nfs/dbraw/zinc/08/94/79/995089479.db2.gz CTUAMZIJESNDJW-FUHWJXTLSA-N 2 1 423.985 3.930 20 0 HHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000482146938 995098144 /nfs/dbraw/zinc/09/81/44/995098144.db2.gz QGUNKFNVPPUFKR-SJORKVTESA-N 2 1 407.605 3.682 20 0 HHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000482146938 995098148 /nfs/dbraw/zinc/09/81/48/995098148.db2.gz QGUNKFNVPPUFKR-SJORKVTESA-N 2 1 407.605 3.682 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000482157696 995112526 /nfs/dbraw/zinc/11/25/26/995112526.db2.gz NCDFOLFDQLUPFE-BXWFABGCSA-N 2 1 415.500 3.759 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000482157696 995112534 /nfs/dbraw/zinc/11/25/34/995112534.db2.gz NCDFOLFDQLUPFE-BXWFABGCSA-N 2 1 415.500 3.759 20 0 HHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000482158089 995113723 /nfs/dbraw/zinc/11/37/23/995113723.db2.gz RFXOMUNQRBTIJW-ONTIZHBOSA-N 2 1 414.619 3.839 20 0 HHADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000482349654 995328402 /nfs/dbraw/zinc/32/84/02/995328402.db2.gz IAHTUYXYRWWKBG-GOSISDBHSA-N 2 1 412.441 3.849 20 0 HHADMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000482436147 995428930 /nfs/dbraw/zinc/42/89/30/995428930.db2.gz IPKNQDIDROLMGE-PZJWPPBQSA-N 2 1 415.603 3.663 20 0 HHADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cnc(-c3cnn(C)c3)nc2)C1 ZINC000474488441 995445549 /nfs/dbraw/zinc/44/55/49/995445549.db2.gz YCGVPHHIENFBMC-OALUTQOASA-N 2 1 404.562 3.645 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)[C@@H](C)C1 ZINC000482455072 995456311 /nfs/dbraw/zinc/45/63/11/995456311.db2.gz FTLIQTXJOGZUIW-CUWPLCDZSA-N 2 1 424.427 3.754 20 0 HHADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC000474507317 995467139 /nfs/dbraw/zinc/46/71/39/995467139.db2.gz WHUMYOBAHGDRRJ-JXNNMWDUSA-N 2 1 412.622 3.800 20 0 HHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC000474507317 995467163 /nfs/dbraw/zinc/46/71/63/995467163.db2.gz WHUMYOBAHGDRRJ-JXNNMWDUSA-N 2 1 412.622 3.800 20 0 HHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC000474507317 995467169 /nfs/dbraw/zinc/46/71/69/995467169.db2.gz WHUMYOBAHGDRRJ-JXNNMWDUSA-N 2 1 412.622 3.800 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000474517694 995481676 /nfs/dbraw/zinc/48/16/76/995481676.db2.gz LLTXYZDFFIWJFQ-NPHXMPSESA-N 2 1 412.578 3.509 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000474525059 995490125 /nfs/dbraw/zinc/49/01/25/995490125.db2.gz WYXFQURHAPZKKE-RMNGQBEXSA-N 2 1 414.638 3.906 20 0 HHADMP CC[NH+]1CCC(CCNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000482584416 995586840 /nfs/dbraw/zinc/58/68/40/995586840.db2.gz WGDFLWAVUZXJIK-BJKOFHAPSA-N 2 1 412.622 3.805 20 0 HHADMP COC1CC[NH+](C2(CN[C@@H](C)c3ccc(OCC[NH+](C)C)cc3)CCCC2)CC1 ZINC000482628430 995622778 /nfs/dbraw/zinc/62/27/78/995622778.db2.gz IMYMXBIJIFFNAU-FQEVSTJZSA-N 2 1 403.611 3.701 20 0 HHADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c1)CCC2 ZINC000482631654 995625498 /nfs/dbraw/zinc/62/54/98/995625498.db2.gz OEJPZPVRRUNVIU-URXFXBBRSA-N 2 1 407.558 3.560 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cnc2ccsc2c1 ZINC000482636317 995631056 /nfs/dbraw/zinc/63/10/56/995631056.db2.gz VTZTWMMASDBBBR-VQIMIIECSA-N 2 1 408.571 3.844 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CC4(CCC4)Oc4ccccc43)c2)C1 ZINC000482636705 995631222 /nfs/dbraw/zinc/63/12/22/995631222.db2.gz WPFFCURTADBJSQ-GMAHTHKFSA-N 2 1 419.569 3.920 20 0 HHADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474719829 995657597 /nfs/dbraw/zinc/65/75/97/995657597.db2.gz OGSIFWAQKNLZPX-UHFFFAOYSA-N 2 1 422.333 3.831 20 0 HHADMP CC[NH+]1CCN(c2cccc(NC(=O)[C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)c2)CC1 ZINC000474833684 995738601 /nfs/dbraw/zinc/73/86/01/995738601.db2.gz SKTJVNDNUHVGPO-NRFANRHFSA-N 2 1 424.564 3.818 20 0 HHADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000482811030 995766196 /nfs/dbraw/zinc/76/61/96/995766196.db2.gz HXQYWQYJWWWLLJ-NRFANRHFSA-N 2 1 410.606 3.819 20 0 HHADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000474894732 995785070 /nfs/dbraw/zinc/78/50/70/995785070.db2.gz CYEPXLOQCMCHMO-KRWDZBQOSA-N 2 1 420.561 3.527 20 0 HHADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000474894732 995785076 /nfs/dbraw/zinc/78/50/76/995785076.db2.gz CYEPXLOQCMCHMO-KRWDZBQOSA-N 2 1 420.561 3.527 20 0 HHADMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000482856315 995795534 /nfs/dbraw/zinc/79/55/34/995795534.db2.gz JRDSGKYMPAEGFM-GJZGRUSLSA-N 2 1 416.393 3.682 20 0 HHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3nnn(-c4ccccc4)c3C)CC2)oc1C ZINC000482883350 995815591 /nfs/dbraw/zinc/81/55/91/995815591.db2.gz ILXQGKMJPWXXGM-KRWDZBQOSA-N 2 1 408.550 3.743 20 0 HHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc(OCC[NH+](C)C)cc3)CC2)oc1C ZINC000482884606 995816806 /nfs/dbraw/zinc/81/68/06/995816806.db2.gz CLTOEOULQNXXNL-LJQANCHMSA-N 3 1 414.594 3.795 20 0 HHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1OC ZINC000474948125 995818576 /nfs/dbraw/zinc/81/85/76/995818576.db2.gz YWJZJISTFBZJJM-SELNLUPBSA-N 2 1 412.574 3.942 20 0 HHADMP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474978703 995841032 /nfs/dbraw/zinc/84/10/32/995841032.db2.gz ZORYGVMYIOUGOR-UPVQGACJSA-N 2 1 409.549 3.771 20 0 HHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474978703 995841037 /nfs/dbraw/zinc/84/10/37/995841037.db2.gz ZORYGVMYIOUGOR-UPVQGACJSA-N 2 1 409.549 3.771 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474978703 995841042 /nfs/dbraw/zinc/84/10/42/995841042.db2.gz ZORYGVMYIOUGOR-UPVQGACJSA-N 2 1 409.549 3.771 20 0 HHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474978703 995841046 /nfs/dbraw/zinc/84/10/46/995841046.db2.gz ZORYGVMYIOUGOR-UPVQGACJSA-N 2 1 409.549 3.771 20 0 HHADMP C[C@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2sccc2C1 ZINC000482938132 995866543 /nfs/dbraw/zinc/86/65/43/995866543.db2.gz RUEIKCQDJZRKTP-LJQANCHMSA-N 2 1 411.615 3.913 20 0 HHADMP C[C@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2sccc2C1 ZINC000482938132 995866548 /nfs/dbraw/zinc/86/65/48/995866548.db2.gz RUEIKCQDJZRKTP-LJQANCHMSA-N 2 1 411.615 3.913 20 0 HHADMP CN(C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475010993 995867754 /nfs/dbraw/zinc/86/77/54/995867754.db2.gz ZVBHFUOAEHBXFQ-XMMPIXPASA-N 2 1 406.574 3.698 20 0 HHADMP CN(C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475015810 995871933 /nfs/dbraw/zinc/87/19/33/995871933.db2.gz KLLJINOZIUAJMS-LEWJYISDSA-N 2 1 412.603 3.801 20 0 HHADMP CCN(C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475035867 995884741 /nfs/dbraw/zinc/88/47/41/995884741.db2.gz ZSQFUSZGGQAQEE-YADHBBJMSA-N 2 1 410.562 3.723 20 0 HHADMP CCN(C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475035866 995884868 /nfs/dbraw/zinc/88/48/68/995884868.db2.gz ZSQFUSZGGQAQEE-VXKWHMMOSA-N 2 1 410.562 3.723 20 0 HHADMP Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000475114025 995930584 /nfs/dbraw/zinc/93/05/84/995930584.db2.gz VWHHHSVOFCBCDQ-YADHBBJMSA-N 2 1 410.562 3.641 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000475137989 995946906 /nfs/dbraw/zinc/94/69/06/995946906.db2.gz LXUGNLGEDSHZDB-RUZDIDTESA-N 2 1 420.601 3.875 20 0 HHADMP CN(C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475137716 995947023 /nfs/dbraw/zinc/94/70/23/995947023.db2.gz KYKWQNVOXXEPIW-VWLOTQADSA-N 2 1 420.601 3.609 20 0 HHADMP CCN(C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475180773 995977616 /nfs/dbraw/zinc/97/76/16/995977616.db2.gz ZCHNUCMPMNCXEE-QFIPXVFZSA-N 2 1 412.553 3.693 20 0 HHADMP CCN(C(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475184749 995981064 /nfs/dbraw/zinc/98/10/64/995981064.db2.gz UVURZQWQBZVKJD-JCTONOIOSA-N 2 1 412.622 3.945 20 0 HHADMP CCN(C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475184749 995981070 /nfs/dbraw/zinc/98/10/70/995981070.db2.gz UVURZQWQBZVKJD-JCTONOIOSA-N 2 1 412.622 3.945 20 0 HHADMP CCN(C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475184749 995981076 /nfs/dbraw/zinc/98/10/76/995981076.db2.gz UVURZQWQBZVKJD-JCTONOIOSA-N 2 1 412.622 3.945 20 0 HHADMP Brc1cnn(CCCC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000475214670 996001658 /nfs/dbraw/zinc/00/16/58/996001658.db2.gz QQELQMIWDSYGQA-HLAWJBBLSA-N 2 1 417.395 3.926 20 0 HHADMP Brc1cccc2c1OCCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000483218437 996044168 /nfs/dbraw/zinc/04/41/68/996044168.db2.gz ZNTMUFGPYMWHHT-BEFAXECRSA-N 2 1 409.368 3.753 20 0 HHADMP Brc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000483236029 996052704 /nfs/dbraw/zinc/05/27/04/996052704.db2.gz OGDCAHKZHAYEKE-DNVCBOLYSA-N 2 1 409.368 3.753 20 0 HHADMP O[C@H](COCc1cccs1)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483476782 996205164 /nfs/dbraw/zinc/20/51/64/996205164.db2.gz PZIBXLDOBFBLPH-FUPPJEDESA-N 2 1 400.588 3.612 20 0 HHADMP O[C@H](COCc1cccs1)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483476782 996205167 /nfs/dbraw/zinc/20/51/67/996205167.db2.gz PZIBXLDOBFBLPH-FUPPJEDESA-N 2 1 400.588 3.612 20 0 HHADMP O[C@H](COCc1cccs1)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483476782 996205170 /nfs/dbraw/zinc/20/51/70/996205170.db2.gz PZIBXLDOBFBLPH-FUPPJEDESA-N 2 1 400.588 3.612 20 0 HHADMP O[C@H](COCc1cccs1)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483476782 996205173 /nfs/dbraw/zinc/20/51/73/996205173.db2.gz PZIBXLDOBFBLPH-FUPPJEDESA-N 2 1 400.588 3.612 20 0 HHADMP O[C@H](COCc1cccs1)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483476786 996205210 /nfs/dbraw/zinc/20/52/10/996205210.db2.gz PZIBXLDOBFBLPH-QNWVGRARSA-N 2 1 400.588 3.612 20 0 HHADMP O[C@H](COCc1cccs1)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483476786 996205214 /nfs/dbraw/zinc/20/52/14/996205214.db2.gz PZIBXLDOBFBLPH-QNWVGRARSA-N 2 1 400.588 3.612 20 0 HHADMP O[C@H](COCc1cccs1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483476786 996205216 /nfs/dbraw/zinc/20/52/16/996205216.db2.gz PZIBXLDOBFBLPH-QNWVGRARSA-N 2 1 400.588 3.612 20 0 HHADMP O[C@H](COCc1cccs1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483476786 996205220 /nfs/dbraw/zinc/20/52/20/996205220.db2.gz PZIBXLDOBFBLPH-QNWVGRARSA-N 2 1 400.588 3.612 20 0 HHADMP COc1ccccc1COC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483495444 996217331 /nfs/dbraw/zinc/21/73/31/996217331.db2.gz YNRPORWQHNFHGY-GPXOXTDOSA-N 2 1 424.585 3.559 20 0 HHADMP COc1ccccc1COC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483495444 996217336 /nfs/dbraw/zinc/21/73/36/996217336.db2.gz YNRPORWQHNFHGY-GPXOXTDOSA-N 2 1 424.585 3.559 20 0 HHADMP COc1ccccc1COC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483495444 996217340 /nfs/dbraw/zinc/21/73/40/996217340.db2.gz YNRPORWQHNFHGY-GPXOXTDOSA-N 2 1 424.585 3.559 20 0 HHADMP O=C(c1ccc(-n2ccnc2)cc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483555537 996247715 /nfs/dbraw/zinc/24/77/15/996247715.db2.gz SRDMIFRWLRKPEW-LADGPHEKSA-N 2 1 400.526 3.999 20 0 HHADMP COc1c[nH+]ccc1N1CC[NH+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000475617511 996251203 /nfs/dbraw/zinc/25/12/03/996251203.db2.gz RHMRWUBSBFNGTO-UHFFFAOYSA-N 2 1 417.435 3.821 20 0 HHADMP O=C([C@@H]1CC[N@@H+]1Cc1ccccc1)N1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483562976 996252303 /nfs/dbraw/zinc/25/23/03/996252303.db2.gz PTQKLZHQPJNOJX-DSITVLBTSA-N 2 1 403.570 3.774 20 0 HHADMP O=C([C@@H]1CC[N@H+]1Cc1ccccc1)N1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483562976 996252307 /nfs/dbraw/zinc/25/23/07/996252307.db2.gz PTQKLZHQPJNOJX-DSITVLBTSA-N 2 1 403.570 3.774 20 0 HHADMP O=C([C@@H]1CC[NH+]1Cc1ccccc1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483562976 996252310 /nfs/dbraw/zinc/25/23/10/996252310.db2.gz PTQKLZHQPJNOJX-DSITVLBTSA-N 2 1 403.570 3.774 20 0 HHADMP O=C([C@@H]1CC[NH+]1Cc1ccccc1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483562976 996252315 /nfs/dbraw/zinc/25/23/15/996252315.db2.gz PTQKLZHQPJNOJX-DSITVLBTSA-N 2 1 403.570 3.774 20 0 HHADMP CC[NH+](CC)CCSCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483592892 996272931 /nfs/dbraw/zinc/27/29/31/996272931.db2.gz BDLKPKCEHZNOLK-FCHUYYIVSA-N 2 1 403.636 3.575 20 0 HHADMP COc1ccccc1COC[C@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475737279 996336323 /nfs/dbraw/zinc/33/63/23/996336323.db2.gz LBPKYTAHOAQBKC-AOYPEHQESA-N 2 1 424.585 3.561 20 0 HHADMP COc1ccccc1COC[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475737279 996336328 /nfs/dbraw/zinc/33/63/28/996336328.db2.gz LBPKYTAHOAQBKC-AOYPEHQESA-N 2 1 424.585 3.561 20 0 HHADMP COc1ccccc1COC[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475737279 996336332 /nfs/dbraw/zinc/33/63/32/996336332.db2.gz LBPKYTAHOAQBKC-AOYPEHQESA-N 2 1 424.585 3.561 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000483714173 996344750 /nfs/dbraw/zinc/34/47/50/996344750.db2.gz UEINGFZIQZNXKU-UHFFFAOYSA-N 2 1 400.542 3.597 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000483714173 996344754 /nfs/dbraw/zinc/34/47/54/996344754.db2.gz UEINGFZIQZNXKU-UHFFFAOYSA-N 2 1 400.542 3.597 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000483714173 996344760 /nfs/dbraw/zinc/34/47/60/996344760.db2.gz UEINGFZIQZNXKU-UHFFFAOYSA-N 2 1 400.542 3.597 20 0 HHADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000475747037 996345165 /nfs/dbraw/zinc/34/51/65/996345165.db2.gz LDNVKZCCXUEBGX-UHFFFAOYSA-N 2 1 416.541 3.541 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C[C@H]1C ZINC000483715163 996345326 /nfs/dbraw/zinc/34/53/26/996345326.db2.gz WLQJYZRQCPPZBI-JRGCBEDISA-N 2 1 407.002 3.991 20 0 HHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(NS(C)(=O)=O)cc1 ZINC000483728350 996353008 /nfs/dbraw/zinc/35/30/08/996353008.db2.gz OETHKXBQSCRLRQ-XAUMDUMWSA-N 2 1 407.605 3.853 20 0 HHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(NS(C)(=O)=O)cc1 ZINC000483728350 996353016 /nfs/dbraw/zinc/35/30/16/996353016.db2.gz OETHKXBQSCRLRQ-XAUMDUMWSA-N 2 1 407.605 3.853 20 0 HHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(NS(C)(=O)=O)cc1 ZINC000483728344 996353063 /nfs/dbraw/zinc/35/30/63/996353063.db2.gz OETHKXBQSCRLRQ-KNBMTAEXSA-N 2 1 407.605 3.853 20 0 HHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(NS(C)(=O)=O)cc1 ZINC000483728344 996353070 /nfs/dbraw/zinc/35/30/70/996353070.db2.gz OETHKXBQSCRLRQ-KNBMTAEXSA-N 2 1 407.605 3.853 20 0 HHADMP CC(C)CCn1ccc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000483764232 996372798 /nfs/dbraw/zinc/37/27/98/996372798.db2.gz WSMNHNXIVNLACK-UHFFFAOYSA-N 2 1 418.630 3.589 20 0 HHADMP C[N@@H+](CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1)Cc1ccc(F)cc1 ZINC000483800086 996396001 /nfs/dbraw/zinc/39/60/01/996396001.db2.gz AZOFQGXDGKRHQG-GHTZIAJQSA-N 2 1 418.582 3.701 20 0 HHADMP C[NH+](CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)Cc1ccc(F)cc1 ZINC000483800086 996396005 /nfs/dbraw/zinc/39/60/05/996396005.db2.gz AZOFQGXDGKRHQG-GHTZIAJQSA-N 2 1 418.582 3.701 20 0 HHADMP C[NH+](CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)Cc1ccc(F)cc1 ZINC000483800086 996396009 /nfs/dbraw/zinc/39/60/09/996396009.db2.gz AZOFQGXDGKRHQG-GHTZIAJQSA-N 2 1 418.582 3.701 20 0 HHADMP CC(C)[NH+]1CCC(NC(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000475952342 996495923 /nfs/dbraw/zinc/49/59/23/996495923.db2.gz BKQXDPNNHAPJKZ-JOCHJYFZSA-N 2 1 400.611 3.631 20 0 HHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(NC(=O)NC(C)C)cc3)CC2)nc(C)[nH+]1 ZINC000484283281 996678121 /nfs/dbraw/zinc/67/81/21/996678121.db2.gz ZBYHMEOVWAGRGR-QGZVFWFLSA-N 2 1 410.566 3.943 20 0 HHADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000484492542 996815847 /nfs/dbraw/zinc/81/58/47/996815847.db2.gz SSZWCEDIZQFOOB-LJQANCHMSA-N 2 1 419.635 3.919 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000484509376 996839098 /nfs/dbraw/zinc/83/90/98/996839098.db2.gz ZKEUHDTXXMZYCL-IEZKXTBUSA-N 2 1 405.586 3.720 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000484509376 996839113 /nfs/dbraw/zinc/83/91/13/996839113.db2.gz ZKEUHDTXXMZYCL-IEZKXTBUSA-N 2 1 405.586 3.720 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC(=O)NCCCC3CCCCC3)CC2)CC1 ZINC000476576813 997076944 /nfs/dbraw/zinc/07/69/44/997076944.db2.gz FSBNTYRLLMLRON-UHFFFAOYSA-N 2 1 420.686 3.591 20 0 HHADMP O=C(CC[N@H+](CCC(F)(F)F)Cc1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000484792585 997143128 /nfs/dbraw/zinc/14/31/28/997143128.db2.gz DQGDJDUPSAGSLP-UHFFFAOYSA-N 2 1 420.479 3.575 20 0 HHADMP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000476800479 997349139 /nfs/dbraw/zinc/34/91/39/997349139.db2.gz BTIBYTIPGTZFFQ-YLJYHZDGSA-N 2 1 422.017 3.676 20 0 HHADMP O=C(NCC[N@@H+]1CCc2sccc2C1)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000476824154 997382539 /nfs/dbraw/zinc/38/25/39/997382539.db2.gz WCTNMFQSJSPBGA-FRIKZZABSA-N 2 1 424.614 3.601 20 0 HHADMP O=C(NCC[N@H+]1CCc2sccc2C1)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000476824154 997382549 /nfs/dbraw/zinc/38/25/49/997382549.db2.gz WCTNMFQSJSPBGA-FRIKZZABSA-N 2 1 424.614 3.601 20 0 HHADMP O=C(NCC[NH+]1CCc2sccc2C1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000476824154 997382561 /nfs/dbraw/zinc/38/25/61/997382561.db2.gz WCTNMFQSJSPBGA-FRIKZZABSA-N 2 1 424.614 3.601 20 0 HHADMP O=C(NCC[NH+]1CCc2sccc2C1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000476824154 997382569 /nfs/dbraw/zinc/38/25/69/997382569.db2.gz WCTNMFQSJSPBGA-FRIKZZABSA-N 2 1 424.614 3.601 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000476981608 997602762 /nfs/dbraw/zinc/60/27/62/997602762.db2.gz JFIUXDYVRFJJBK-FQEVSTJZSA-N 2 1 422.635 3.836 20 0 HHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccco1 ZINC000485234438 997613016 /nfs/dbraw/zinc/61/30/16/997613016.db2.gz VAKLIIBUZNLDSN-HNAYVOBHSA-N 2 1 413.497 3.841 20 0 HHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc(-c3ccc4c(c3)OCO4)no2)CC1 ZINC000476990914 997617097 /nfs/dbraw/zinc/61/70/97/997617097.db2.gz XCTBVUVXRXYDGC-QGZVFWFLSA-N 2 1 412.534 3.942 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc(-c3ccc4c(c3)OCO4)no2)CC1 ZINC000476990914 997617102 /nfs/dbraw/zinc/61/71/02/997617102.db2.gz XCTBVUVXRXYDGC-QGZVFWFLSA-N 2 1 412.534 3.942 20 0 HHADMP COc1ccc(NC(=O)CN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c(OC)c1 ZINC000476991664 997618116 /nfs/dbraw/zinc/61/81/16/997618116.db2.gz ZBJLRBIHSXKHMR-SFHVURJKSA-N 2 1 403.567 3.619 20 0 HHADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCCC[NH+]2Cc2cccc(Cl)c2)C1 ZINC000485388569 997816074 /nfs/dbraw/zinc/81/60/74/997816074.db2.gz NGUSCICITXJSJG-PZJWPPBQSA-N 2 1 407.002 3.678 20 0 HHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCCC[NH+]2Cc2cccc(Cl)c2)C1 ZINC000485388569 997816086 /nfs/dbraw/zinc/81/60/86/997816086.db2.gz NGUSCICITXJSJG-PZJWPPBQSA-N 2 1 407.002 3.678 20 0 HHADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC000485388569 997816095 /nfs/dbraw/zinc/81/60/95/997816095.db2.gz NGUSCICITXJSJG-PZJWPPBQSA-N 2 1 407.002 3.678 20 0 HHADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000485388569 997816099 /nfs/dbraw/zinc/81/60/99/997816099.db2.gz NGUSCICITXJSJG-PZJWPPBQSA-N 2 1 407.002 3.678 20 0 HHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H](C)[NH+](C)Cc1ccccc1 ZINC000477338639 998026389 /nfs/dbraw/zinc/02/63/89/998026389.db2.gz MNIDQUNGJSSLMF-URXFXBBRSA-N 2 1 423.605 3.598 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000477338639 998026399 /nfs/dbraw/zinc/02/63/99/998026399.db2.gz MNIDQUNGJSSLMF-URXFXBBRSA-N 2 1 423.605 3.598 20 0 HHADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000477338639 998026406 /nfs/dbraw/zinc/02/64/06/998026406.db2.gz MNIDQUNGJSSLMF-URXFXBBRSA-N 2 1 423.605 3.598 20 0 HHADMP Cc1cc[nH+]c(N2CCN(C(=O)NCc3cccc(C[NH+]4CCC(C)CC4)c3)CC2)c1 ZINC000485588969 998037114 /nfs/dbraw/zinc/03/71/14/998037114.db2.gz HJFBPAMCYMZUPV-UHFFFAOYSA-N 2 1 421.589 3.654 20 0 HHADMP C[N@H+](CCNC(=O)C1CC[NH+](Cc2cc(F)cc(Cl)c2)CC1)Cc1ccccc1 ZINC000485698023 998161578 /nfs/dbraw/zinc/16/15/78/998161578.db2.gz RKJQNRRNCLAOKZ-UHFFFAOYSA-N 2 1 417.956 3.939 20 0 HHADMP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2cc(F)cc(Cl)c2)CC1)Cc1ccccc1 ZINC000485698023 998161584 /nfs/dbraw/zinc/16/15/84/998161584.db2.gz RKJQNRRNCLAOKZ-UHFFFAOYSA-N 2 1 417.956 3.939 20 0 HHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000477534402 998253400 /nfs/dbraw/zinc/25/34/00/998253400.db2.gz JSPNJCARWBJDMT-LJQANCHMSA-N 2 1 415.603 3.601 20 0 HHADMP CCc1nc(C[NH+]2CCC(CNC(=O)NCCC[NH2+]C3CCCCC3)CC2)cs1 ZINC000477656630 998370559 /nfs/dbraw/zinc/37/05/59/998370559.db2.gz BEYYZFRTWMONEV-UHFFFAOYSA-N 2 1 421.655 3.529 20 0 HHADMP C[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1cccs1 ZINC000486111579 998559028 /nfs/dbraw/zinc/55/90/28/998559028.db2.gz RSJFWCVVKHAISS-GHTZIAJQSA-N 2 1 404.624 3.791 20 0 HHADMP C[C@H](NC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486319706 998710837 /nfs/dbraw/zinc/71/08/37/998710837.db2.gz KJGTZTIPMDUPGR-RZUBCFFCSA-N 2 1 400.611 3.707 20 0 HHADMP C[C@H](NC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486319706 998710839 /nfs/dbraw/zinc/71/08/39/998710839.db2.gz KJGTZTIPMDUPGR-RZUBCFFCSA-N 2 1 400.611 3.707 20 0 HHADMP C[C@H](NC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486319706 998710841 /nfs/dbraw/zinc/71/08/41/998710841.db2.gz KJGTZTIPMDUPGR-RZUBCFFCSA-N 2 1 400.611 3.707 20 0 HHADMP COc1cccc([C@@H]2[C@H](NC(=O)NC3CC[NH+](C(C)(C)C)CC3)CC[N@H+]2C2CC2)c1 ZINC000486338756 998718899 /nfs/dbraw/zinc/71/88/99/998718899.db2.gz ANHRPVDGPRPBCN-FGZHOGPDSA-N 2 1 414.594 3.535 20 0 HHADMP C[C@H](NC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486345988 998722189 /nfs/dbraw/zinc/72/21/89/998722189.db2.gz NVVYLASQGGVKBB-OQLXKQOESA-N 2 1 400.611 3.564 20 0 HHADMP C[C@H](NC(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486345988 998722192 /nfs/dbraw/zinc/72/21/92/998722192.db2.gz NVVYLASQGGVKBB-OQLXKQOESA-N 2 1 400.611 3.564 20 0 HHADMP C[C@H](NC(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486345988 998722196 /nfs/dbraw/zinc/72/21/96/998722196.db2.gz NVVYLASQGGVKBB-OQLXKQOESA-N 2 1 400.611 3.564 20 0 HHADMP C[NH+](C)Cc1ccc(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)cc1Cl ZINC000478039057 998728644 /nfs/dbraw/zinc/72/86/44/998728644.db2.gz DQDIAXZCACFFAI-UHFFFAOYSA-N 2 1 400.954 3.552 20 0 HHADMP COc1ccc(NC(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1OC ZINC000478040738 998729758 /nfs/dbraw/zinc/72/97/58/998729758.db2.gz NLNOXMAGGXYASQ-SFHVURJKSA-N 2 1 403.567 3.619 20 0 HHADMP COc1ccc(NC(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1OC ZINC000478040738 998729762 /nfs/dbraw/zinc/72/97/62/998729762.db2.gz NLNOXMAGGXYASQ-SFHVURJKSA-N 2 1 403.567 3.619 20 0 HHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000478045588 998732797 /nfs/dbraw/zinc/73/27/97/998732797.db2.gz GMCDJPOAYGAQKY-LJQANCHMSA-N 2 1 410.599 3.966 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000478045588 998732801 /nfs/dbraw/zinc/73/28/01/998732801.db2.gz GMCDJPOAYGAQKY-LJQANCHMSA-N 2 1 410.599 3.966 20 0 HHADMP O=C([C@H]1CCCc2[nH+]ccn21)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000486546409 998818820 /nfs/dbraw/zinc/81/88/20/998818820.db2.gz OHADSFLQRCNNMU-RTBURBONSA-N 2 1 420.479 3.674 20 0 HHADMP O=C([C@H]1CCCc2[nH+]ccn21)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000486546409 998818825 /nfs/dbraw/zinc/81/88/25/998818825.db2.gz OHADSFLQRCNNMU-RTBURBONSA-N 2 1 420.479 3.674 20 0 HHADMP COc1cccc([C@@H]2[C@@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC[N@H+]2C2CC2)c1 ZINC000487079363 999057209 /nfs/dbraw/zinc/05/72/09/999057209.db2.gz UDDNAMXTANEMGE-BHDDXSALSA-N 2 1 416.610 3.639 20 0 HHADMP COc1cccc([C@@H]2[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC[N@H+]2C2CC2)c1 ZINC000487079364 999057233 /nfs/dbraw/zinc/05/72/33/999057233.db2.gz UDDNAMXTANEMGE-BHIFYINESA-N 2 1 416.610 3.639 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000487520377 999206494 /nfs/dbraw/zinc/20/64/94/999206494.db2.gz PJSOZOGSPLTCBL-SQJMNOBHSA-N 2 1 420.601 3.861 20 0 HHADMP c1c[nH]c([C@@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)c2cccnc2)n1 ZINC000479051518 999268265 /nfs/dbraw/zinc/26/82/65/999268265.db2.gz AFQMIPRJWZCVHH-QHCPKHFHSA-N 2 1 405.546 3.555 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000479065164 999276901 /nfs/dbraw/zinc/27/69/01/999276901.db2.gz IGGZQCZUTSFYEB-MOPGFXCFSA-N 2 1 415.603 3.827 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000479067630 999278368 /nfs/dbraw/zinc/27/83/68/999278368.db2.gz MILWWLZRDDEKMC-MSOLQXFVSA-N 2 1 421.632 3.575 20 0 HHADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000479067630 999278370 /nfs/dbraw/zinc/27/83/70/999278370.db2.gz MILWWLZRDDEKMC-MSOLQXFVSA-N 2 1 421.632 3.575 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000487917909 999315158 /nfs/dbraw/zinc/31/51/58/999315158.db2.gz NAEUTBWRTSJNMI-CZAAIQMYSA-N 2 1 408.537 3.520 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000487917909 999315165 /nfs/dbraw/zinc/31/51/65/999315165.db2.gz NAEUTBWRTSJNMI-CZAAIQMYSA-N 2 1 408.537 3.520 20 0 HHADMP Cc1ccc(-c2cc(C(=O)N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)[nH]n2)cc1 ZINC000488179733 999404006 /nfs/dbraw/zinc/40/40/06/999404006.db2.gz QVEKNZJHAHHUFA-UHFFFAOYSA-N 2 1 423.605 3.653 20 0 HHADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1C(F)(F)F ZINC000479367602 999406572 /nfs/dbraw/zinc/40/65/72/999406572.db2.gz ZXJNQLMGLOHKMC-XJKSGUPXSA-N 2 1 409.290 3.965 20 0 HHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)C1 ZINC000488190288 999408780 /nfs/dbraw/zinc/40/87/80/999408780.db2.gz RQGUEJMDVPJCCP-SFTDATJTSA-N 2 1 412.622 3.934 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)C1 ZINC000488190288 999408784 /nfs/dbraw/zinc/40/87/84/999408784.db2.gz RQGUEJMDVPJCCP-SFTDATJTSA-N 2 1 412.622 3.934 20 0 HHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)C1 ZINC000488190288 999408786 /nfs/dbraw/zinc/40/87/86/999408786.db2.gz RQGUEJMDVPJCCP-SFTDATJTSA-N 2 1 412.622 3.934 20 0 HHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000479437286 999416724 /nfs/dbraw/zinc/41/67/24/999416724.db2.gz LRSXEWIUQVLWJF-VWNXMTODSA-N 2 1 402.542 3.606 20 0 HHADMP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CC3)[C@@H]2c2cccc(OC)c2)CC1 ZINC000488273074 999419246 /nfs/dbraw/zinc/41/92/46/999419246.db2.gz ODMWPPFKXPFMEI-DHIUTWEWSA-N 2 1 414.594 3.537 20 0 HHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000479466190 999429546 /nfs/dbraw/zinc/42/95/46/999429546.db2.gz YRKSQAXVJRKYLH-FQEVSTJZSA-N 2 1 400.611 3.934 20 0 HHADMP COc1cc(-c2noc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)n2)ccc1OC(F)F ZINC000488449720 999489986 /nfs/dbraw/zinc/48/99/86/999489986.db2.gz IASAEOIZJHNMID-UHFFFAOYSA-N 2 1 422.476 3.654 20 0 HHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000488527805 999518644 /nfs/dbraw/zinc/51/86/44/999518644.db2.gz DUTHNFSOQCZBQT-YKSBVNFPSA-N 2 1 408.590 3.848 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000488527805 999518647 /nfs/dbraw/zinc/51/86/47/999518647.db2.gz DUTHNFSOQCZBQT-YKSBVNFPSA-N 2 1 408.590 3.848 20 0 HHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000488527805 999518649 /nfs/dbraw/zinc/51/86/49/999518649.db2.gz DUTHNFSOQCZBQT-YKSBVNFPSA-N 2 1 408.590 3.848 20 0 HHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000488529161 999519007 /nfs/dbraw/zinc/51/90/07/999519007.db2.gz HDDONTKHQQSQIA-WWNPGLIZSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000488529161 999519008 /nfs/dbraw/zinc/51/90/08/999519008.db2.gz HDDONTKHQQSQIA-WWNPGLIZSA-N 2 1 400.611 3.564 20 0 HHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000488529161 999519011 /nfs/dbraw/zinc/51/90/11/999519011.db2.gz HDDONTKHQQSQIA-WWNPGLIZSA-N 2 1 400.611 3.564 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000488576464 999533504 /nfs/dbraw/zinc/53/35/04/999533504.db2.gz CKEAYLUBOPBCQJ-BULFRSBZSA-N 2 1 422.564 3.862 20 0 HHADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000488576464 999533507 /nfs/dbraw/zinc/53/35/07/999533507.db2.gz CKEAYLUBOPBCQJ-BULFRSBZSA-N 2 1 422.564 3.862 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000488576464 999533511 /nfs/dbraw/zinc/53/35/11/999533511.db2.gz CKEAYLUBOPBCQJ-BULFRSBZSA-N 2 1 422.564 3.862 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000488576464 999533514 /nfs/dbraw/zinc/53/35/14/999533514.db2.gz CKEAYLUBOPBCQJ-BULFRSBZSA-N 2 1 422.564 3.862 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000488576464 999533523 /nfs/dbraw/zinc/53/35/23/999533523.db2.gz CKEAYLUBOPBCQJ-BULFRSBZSA-N 2 1 422.564 3.862 20 0 HHADMP COc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OCc1ccc(Br)cc1 ZINC000479970255 999668833 /nfs/dbraw/zinc/66/88/33/999668833.db2.gz ZCYZHRNKNJYGGI-HDICACEKSA-N 2 1 417.347 3.688 20 0 HHADMP COc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OCc1ccc(Br)cc1 ZINC000479970255 999668834 /nfs/dbraw/zinc/66/88/34/999668834.db2.gz ZCYZHRNKNJYGGI-HDICACEKSA-N 2 1 417.347 3.688 20 0 HHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccco1 ZINC000489229497 999726711 /nfs/dbraw/zinc/72/67/11/999726711.db2.gz YFGKMIRTNGDBOP-NSHGMRRFSA-N 2 1 418.607 3.982 20 0 HHADMP C[C@@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000489338426 999748371 /nfs/dbraw/zinc/74/83/71/999748371.db2.gz WGHUAQXJGBYHMV-NRFANRHFSA-N 2 1 420.601 3.739 20 0 HHADMP C[C@H]1CN(C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)CC[N@@H+](C2CCC2)C1 ZINC000489352170 999750414 /nfs/dbraw/zinc/75/04/14/999750414.db2.gz BJRBPUDZBDQAKU-HXUWFJFHSA-N 2 1 424.589 3.927 20 0 HHADMP C[C@H]1CN(C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)CC[N@H+](C2CCC2)C1 ZINC000489352170 999750417 /nfs/dbraw/zinc/75/04/17/999750417.db2.gz BJRBPUDZBDQAKU-HXUWFJFHSA-N 2 1 424.589 3.927 20 0 HHADMP C[C@H]1CN(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CC[NH+](C2CCC2)C1 ZINC000489352170 999750420 /nfs/dbraw/zinc/75/04/20/999750420.db2.gz BJRBPUDZBDQAKU-HXUWFJFHSA-N 2 1 424.589 3.927 20 0 HHADMP C[C@H]1CN(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CC[NH+](C2CCC2)C1 ZINC000489352170 999750423 /nfs/dbraw/zinc/75/04/23/999750423.db2.gz BJRBPUDZBDQAKU-HXUWFJFHSA-N 2 1 424.589 3.927 20 0 HHADMP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C[C@@H](C)C1 ZINC000489361476 999751875 /nfs/dbraw/zinc/75/18/75/999751875.db2.gz KEPFPGFOZNUHLW-ROKPMTFOSA-N 2 1 424.589 3.783 20 0 HHADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C[C@@H](C)C1 ZINC000489361476 999751877 /nfs/dbraw/zinc/75/18/77/999751877.db2.gz KEPFPGFOZNUHLW-ROKPMTFOSA-N 2 1 424.589 3.783 20 0 HHADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C[C@@H](C)C1 ZINC000489361476 999751879 /nfs/dbraw/zinc/75/18/79/999751879.db2.gz KEPFPGFOZNUHLW-ROKPMTFOSA-N 2 1 424.589 3.783 20 0 HHADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C[C@@H](C)C1 ZINC000489361476 999751880 /nfs/dbraw/zinc/75/18/80/999751880.db2.gz KEPFPGFOZNUHLW-ROKPMTFOSA-N 2 1 424.589 3.783 20 0 HHADMP C[N@H+]1CC[C@@]2(CCN(C(=O)NCCC[NH+](Cc3ccccc3)Cc3ccccc3)C2)C1 ZINC000489442882 999768406 /nfs/dbraw/zinc/76/84/06/999768406.db2.gz HGBNCQVKRPRSGZ-AREMUKBSSA-N 2 1 420.601 3.816 20 0 HHADMP COc1cccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)[NH+](C)C)c1 ZINC000489520252 999783093 /nfs/dbraw/zinc/78/30/93/999783093.db2.gz CLPPYHMNTAKVCU-IGKWTDBASA-N 2 1 424.589 3.508 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000489528180 999784830 /nfs/dbraw/zinc/78/48/30/999784830.db2.gz HGMBSHLVSRGCFK-GMAHTHKFSA-N 2 1 400.611 3.852 20 0 HHADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cccc(OC)c1 ZINC000480397736 999789342 /nfs/dbraw/zinc/78/93/42/999789342.db2.gz RMNAGJHSXALLRE-BUUDZMLXSA-N 2 1 410.606 3.973 20 0 HHADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cccc(OC)c1 ZINC000480397736 999789344 /nfs/dbraw/zinc/78/93/44/999789344.db2.gz RMNAGJHSXALLRE-BUUDZMLXSA-N 2 1 410.606 3.973 20 0 HHADMP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)ccc1S(C)(=O)=O ZINC000480464082 999805178 /nfs/dbraw/zinc/80/51/78/999805178.db2.gz HEZMXAWCAUQZNI-GOSISDBHSA-N 2 1 416.587 3.935 20 0 HHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000489808158 999842074 /nfs/dbraw/zinc/84/20/74/999842074.db2.gz BBQNSBJANRTTGY-XXBNENTESA-N 2 1 412.578 3.572 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000489822575 999844062 /nfs/dbraw/zinc/84/40/62/999844062.db2.gz BJSDFTISAIHZJH-BWKNWUBXSA-N 2 1 420.601 3.992 20 0 HHADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1 ZINC000480635529 999847109 /nfs/dbraw/zinc/84/71/09/999847109.db2.gz ATHFDSCCNDPMAU-RTBURBONSA-N 2 1 415.603 3.820 20 0 HHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000489844559 999848213 /nfs/dbraw/zinc/84/82/13/999848213.db2.gz YBABQMZSMOTRCF-URXFXBBRSA-N 2 1 408.590 3.670 20 0 HHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000489845948 999848420 /nfs/dbraw/zinc/84/84/20/999848420.db2.gz SRNITGDUDUODJL-QHCPKHFHSA-N 2 1 422.617 3.891 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000489845948 999848421 /nfs/dbraw/zinc/84/84/21/999848421.db2.gz SRNITGDUDUODJL-QHCPKHFHSA-N 2 1 422.617 3.891 20 0 HHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000489845948 999848424 /nfs/dbraw/zinc/84/84/24/999848424.db2.gz SRNITGDUDUODJL-QHCPKHFHSA-N 2 1 422.617 3.891 20 0 HHADMP C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000489874085 999852903 /nfs/dbraw/zinc/85/29/03/999852903.db2.gz OQRKHIZVICCIFV-HSZRJFAPSA-N 2 1 406.574 3.567 20 0 HHADMP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(F)cc3Br)cn2)CC1 ZINC000480703540 999863688 /nfs/dbraw/zinc/86/36/88/999863688.db2.gz DYIVSINMHIVOKB-OAHLLOKOSA-N 2 1 421.358 3.976 20 0 HHADMP C[C@@H](NC(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490825830 1000012530 /nfs/dbraw/zinc/01/25/30/1000012530.db2.gz LCPYLWVTKCOFLL-CTNGQTDRSA-N 2 1 410.562 3.659 20 0 HHADMP C[C@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000490954899 1000027231 /nfs/dbraw/zinc/02/72/31/1000027231.db2.gz ODRRMVVCACAERE-RBUKOAKNSA-N 2 1 404.624 3.520 20 0 HHADMP CSc1cccc([C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)c2ccc(F)c(F)c2)c1 ZINC000491004618 1000033096 /nfs/dbraw/zinc/03/30/96/1000033096.db2.gz IGKAIOFHNCJDIC-QFIPXVFZSA-N 2 1 419.541 3.530 20 0 HHADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000491024358 1000035429 /nfs/dbraw/zinc/03/54/29/1000035429.db2.gz XDBQTPSKSWXUNU-OTPAQWSUSA-N 2 1 420.601 3.958 20 0 HHADMP C[C@H](C(=O)NC(=O)Nc1ccccc1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000491073954 1000042544 /nfs/dbraw/zinc/04/25/44/1000042544.db2.gz GOBVFJHDOGFOQC-LJQANCHMSA-N 2 1 408.546 3.567 20 0 HHADMP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000491147250 1000050125 /nfs/dbraw/zinc/05/01/25/1000050125.db2.gz WUQHZPVWCKZWGC-HIGZBPRKSA-N 2 1 412.622 3.660 20 0 HHADMP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000491147250 1000050128 /nfs/dbraw/zinc/05/01/28/1000050128.db2.gz WUQHZPVWCKZWGC-HIGZBPRKSA-N 2 1 412.622 3.660 20 0 HHADMP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000491147250 1000050132 /nfs/dbraw/zinc/05/01/32/1000050132.db2.gz WUQHZPVWCKZWGC-HIGZBPRKSA-N 2 1 412.622 3.660 20 0 HHADMP CCC[C@H]1CN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@H+]1Cc1ccccc1 ZINC000491376922 1000069807 /nfs/dbraw/zinc/06/98/07/1000069807.db2.gz SKNGBEWUPWXMND-QFIPXVFZSA-N 2 1 424.593 3.668 20 0 HHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000491382144 1000070146 /nfs/dbraw/zinc/07/01/46/1000070146.db2.gz ATBCIZZXBXGEEA-IBGZPJMESA-N 2 1 424.593 3.846 20 0 HHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000491389601 1000070810 /nfs/dbraw/zinc/07/08/10/1000070810.db2.gz OWMHXBPKJTYTEZ-NRFANRHFSA-N 2 1 424.593 3.526 20 0 HHADMP C[C@H]1C[N@@H+](CCSc2ccnc3cc(Cl)ccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000492782497 1000143752 /nfs/dbraw/zinc/14/37/52/1000143752.db2.gz HIMSNXDTODOBJS-UWJYYQICSA-N 2 1 419.038 3.938 20 0 HHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000492977051 1000152283 /nfs/dbraw/zinc/15/22/83/1000152283.db2.gz OPYGVXPWRYSXMZ-UHFFFAOYSA-N 2 1 413.472 3.977 20 0 HHADMP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000493180282 1000161674 /nfs/dbraw/zinc/16/16/74/1000161674.db2.gz KSXIXPGCMQTKRQ-INIZCTEOSA-N 2 1 417.485 3.833 20 0 HHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000493222358 1000163716 /nfs/dbraw/zinc/16/37/16/1000163716.db2.gz APNLPPJQMXXTQD-JOCHJYFZSA-N 2 1 415.534 3.894 20 0 HHADMP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000493769094 1000191868 /nfs/dbraw/zinc/19/18/68/1000191868.db2.gz ZWGPZNMLTIKIAO-JOCHJYFZSA-N 2 1 410.562 3.687 20 0 HHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000493769094 1000191870 /nfs/dbraw/zinc/19/18/70/1000191870.db2.gz ZWGPZNMLTIKIAO-JOCHJYFZSA-N 2 1 410.562 3.687 20 0 HHADMP COc1ccc([C@@H]2CC[N@H+]([C@@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000504521326 1000248428 /nfs/dbraw/zinc/24/84/28/1000248428.db2.gz KPTLFXOSCOPRTF-NZQKXSOJSA-N 2 1 421.585 3.654 20 0 HHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)Cc2cccc3[nH]ccc32)CC1 ZINC000494006880 1000264664 /nfs/dbraw/zinc/26/46/64/1000264664.db2.gz MGQXIOVXQMBDSK-UHFFFAOYSA-N 2 1 404.558 3.689 20 0 HHADMP C[C@H]1[C@H](NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000494025764 1000273363 /nfs/dbraw/zinc/27/33/63/1000273363.db2.gz DWYPZVZQGZWDIQ-NAZDKBRTSA-N 2 1 421.585 3.689 20 0 HHADMP C[C@H]1[C@H](NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000494025764 1000273366 /nfs/dbraw/zinc/27/33/66/1000273366.db2.gz DWYPZVZQGZWDIQ-NAZDKBRTSA-N 2 1 421.585 3.689 20 0 HHADMP Cc1nc2ccc(C[NH2+]Cc3cccc(C[N@H+]4CCC[C@H](C(N)=O)C4)c3)cc2s1 ZINC000494028837 1000276011 /nfs/dbraw/zinc/27/60/11/1000276011.db2.gz TYNYYUZVFVRIIA-FQEVSTJZSA-N 2 1 408.571 3.592 20 0 HHADMP C[C@H]1[C@@H](NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000494070208 1000294161 /nfs/dbraw/zinc/29/41/61/1000294161.db2.gz VTXLFIJNODTNLD-CVDCTZTESA-N 2 1 409.599 3.628 20 0 HHADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504888159 1000429031 /nfs/dbraw/zinc/42/90/31/1000429031.db2.gz HHAQSUGPQYOTJF-XMMPIXPASA-N 2 1 406.574 3.746 20 0 HHADMP C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000504915567 1000445958 /nfs/dbraw/zinc/44/59/58/1000445958.db2.gz URKYKKBCLUOBSL-OAQYLSRUSA-N 2 1 410.562 3.550 20 0 HHADMP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000504919978 1000448841 /nfs/dbraw/zinc/44/88/41/1000448841.db2.gz MDINMVQTKBQISR-WMZHIEFXSA-N 2 1 407.558 3.994 20 0 HHADMP C[C@@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[N@@H+]1CCc2sccc2C1 ZINC000504989019 1000491417 /nfs/dbraw/zinc/49/14/17/1000491417.db2.gz RLFUGXRGALPQOW-WMZOPIPTSA-N 2 1 418.632 3.693 20 0 HHADMP C[C@@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[N@H+]1CCc2sccc2C1 ZINC000504989019 1000491420 /nfs/dbraw/zinc/49/14/20/1000491420.db2.gz RLFUGXRGALPQOW-WMZOPIPTSA-N 2 1 418.632 3.693 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000494442664 1000494309 /nfs/dbraw/zinc/49/43/09/1000494309.db2.gz LJWOLILJRBYRHC-MBSDFSHPSA-N 2 1 416.585 3.552 20 0 HHADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505267279 1000657981 /nfs/dbraw/zinc/65/79/81/1000657981.db2.gz DTVPILPHWYMHRY-QHCPKHFHSA-N 2 1 401.570 3.905 20 0 HHADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505267279 1000657986 /nfs/dbraw/zinc/65/79/86/1000657986.db2.gz DTVPILPHWYMHRY-QHCPKHFHSA-N 2 1 401.570 3.905 20 0 HHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000494900847 1000720422 /nfs/dbraw/zinc/72/04/22/1000720422.db2.gz BWXHIFLSWMTQDK-HSALFYBXSA-N 2 1 409.574 3.848 20 0 HHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc(C(=O)N(C)C)cc3)CC2)cs1 ZINC000495044843 1000796614 /nfs/dbraw/zinc/79/66/14/1000796614.db2.gz DDSLYLZHYNFDIE-QGZVFWFLSA-N 2 1 414.619 3.970 20 0 HHADMP COc1cc([C@H](C)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1S(C)(=O)=O ZINC000495441032 1001013442 /nfs/dbraw/zinc/01/34/42/1001013442.db2.gz ZSQKYHWRLRKPTQ-WFXMLNOXSA-N 2 1 416.587 3.660 20 0 HHADMP COc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1S(C)(=O)=O ZINC000495441032 1001013455 /nfs/dbraw/zinc/01/34/55/1001013455.db2.gz ZSQKYHWRLRKPTQ-WFXMLNOXSA-N 2 1 416.587 3.660 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 ZINC000505825033 1001045912 /nfs/dbraw/zinc/04/59/12/1001045912.db2.gz OAYPLVMAUOKMPE-OAQYLSRUSA-N 2 1 411.546 3.637 20 0 HHADMP CN(C(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000496654129 1001211182 /nfs/dbraw/zinc/21/11/82/1001211182.db2.gz YKZYVVHEBGPVBE-NJDFBWEVSA-N 2 1 419.013 3.961 20 0 HHADMP CN(C(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000496654129 1001211186 /nfs/dbraw/zinc/21/11/86/1001211186.db2.gz YKZYVVHEBGPVBE-NJDFBWEVSA-N 2 1 419.013 3.961 20 0 HHADMP CN(C(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000496654129 1001211191 /nfs/dbraw/zinc/21/11/91/1001211191.db2.gz YKZYVVHEBGPVBE-NJDFBWEVSA-N 2 1 419.013 3.961 20 0 HHADMP CN(C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000496654129 1001211197 /nfs/dbraw/zinc/21/11/97/1001211197.db2.gz YKZYVVHEBGPVBE-NJDFBWEVSA-N 2 1 419.013 3.961 20 0 HHADMP CN(C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000496654129 1001211201 /nfs/dbraw/zinc/21/12/01/1001211201.db2.gz YKZYVVHEBGPVBE-NJDFBWEVSA-N 2 1 419.013 3.961 20 0 HHADMP CN(C(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000496654128 1001211384 /nfs/dbraw/zinc/21/13/84/1001211384.db2.gz YKZYVVHEBGPVBE-FFSRPXEDSA-N 2 1 419.013 3.961 20 0 HHADMP CN(C(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000496654128 1001211391 /nfs/dbraw/zinc/21/13/91/1001211391.db2.gz YKZYVVHEBGPVBE-FFSRPXEDSA-N 2 1 419.013 3.961 20 0 HHADMP CN(C(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000496654128 1001211396 /nfs/dbraw/zinc/21/13/96/1001211396.db2.gz YKZYVVHEBGPVBE-FFSRPXEDSA-N 2 1 419.013 3.961 20 0 HHADMP CN(C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000496654128 1001211404 /nfs/dbraw/zinc/21/14/04/1001211404.db2.gz YKZYVVHEBGPVBE-FFSRPXEDSA-N 2 1 419.013 3.961 20 0 HHADMP CN(C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000496654128 1001211409 /nfs/dbraw/zinc/21/14/09/1001211409.db2.gz YKZYVVHEBGPVBE-FFSRPXEDSA-N 2 1 419.013 3.961 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497565955 1001438236 /nfs/dbraw/zinc/43/82/36/1001438236.db2.gz GZHIQXSIYRLRAN-HYBUGGRVSA-N 2 1 412.622 3.851 20 0 HHADMP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000497566402 1001438764 /nfs/dbraw/zinc/43/87/64/1001438764.db2.gz RSYSWMSPRIAVQR-RDPSFJRHSA-N 2 1 412.622 3.993 20 0 HHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+]3CCC2CC3)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000497594714 1001451612 /nfs/dbraw/zinc/45/16/12/1001451612.db2.gz CNBMSAJGYYORPF-YLJYHZDGSA-N 2 1 424.511 3.578 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+](C)Cc1ccccc1 ZINC000506793696 1001533258 /nfs/dbraw/zinc/53/32/58/1001533258.db2.gz BPQAATIPEMKSSA-MQSCRBSSSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)[N@H+](C)Cc1ccccc1 ZINC000506793696 1001533262 /nfs/dbraw/zinc/53/32/62/1001533262.db2.gz BPQAATIPEMKSSA-MQSCRBSSSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)[N@@H+](C)Cc1ccccc1 ZINC000506793696 1001533265 /nfs/dbraw/zinc/53/32/65/1001533265.db2.gz BPQAATIPEMKSSA-MQSCRBSSSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000498143894 1001661752 /nfs/dbraw/zinc/66/17/52/1001661752.db2.gz FZBJJHGUYGDRLT-AUSIDOKSSA-N 2 1 410.562 3.680 20 0 HHADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000498143894 1001661754 /nfs/dbraw/zinc/66/17/54/1001661754.db2.gz FZBJJHGUYGDRLT-AUSIDOKSSA-N 2 1 410.562 3.680 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]4C[NH+](C)CC[C@@H]43)cc2)C1 ZINC000498155332 1001666958 /nfs/dbraw/zinc/66/69/58/1001666958.db2.gz INTWGSHFZYZSSE-JDBUVZGPSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)cc2)C1 ZINC000498155332 1001666961 /nfs/dbraw/zinc/66/69/61/1001666961.db2.gz INTWGSHFZYZSSE-JDBUVZGPSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)cc2)C1 ZINC000498155332 1001666967 /nfs/dbraw/zinc/66/69/67/1001666967.db2.gz INTWGSHFZYZSSE-JDBUVZGPSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)C1 ZINC000498158218 1001667587 /nfs/dbraw/zinc/66/75/87/1001667587.db2.gz YEIVMKJIDIWWKC-QEFHDYNCSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000498158218 1001667590 /nfs/dbraw/zinc/66/75/90/1001667590.db2.gz YEIVMKJIDIWWKC-QEFHDYNCSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000498158218 1001667591 /nfs/dbraw/zinc/66/75/91/1001667591.db2.gz YEIVMKJIDIWWKC-QEFHDYNCSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)C1 ZINC000498158219 1001667686 /nfs/dbraw/zinc/66/76/86/1001667686.db2.gz YEIVMKJIDIWWKC-WNXIRNOKSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000498158219 1001667689 /nfs/dbraw/zinc/66/76/89/1001667689.db2.gz YEIVMKJIDIWWKC-WNXIRNOKSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000498158219 1001667692 /nfs/dbraw/zinc/66/76/92/1001667692.db2.gz YEIVMKJIDIWWKC-WNXIRNOKSA-N 2 1 412.622 3.790 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000506948624 1001722695 /nfs/dbraw/zinc/72/26/95/1001722695.db2.gz HAINXUGGQMDBSZ-DXIQSLLYSA-N 2 1 404.574 3.724 20 0 HHADMP COc1cccc([C@H](CNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)[NH+](C)C)c1 ZINC000506953767 1001726560 /nfs/dbraw/zinc/72/65/60/1001726560.db2.gz QEJJKUYJBQYHSO-VIZSFHNOSA-N 2 1 416.610 3.594 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000498337494 1001783702 /nfs/dbraw/zinc/78/37/02/1001783702.db2.gz RWMLZGKUZIUJOH-ZEWNOJEFSA-N 2 1 422.976 3.739 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000498337494 1001783704 /nfs/dbraw/zinc/78/37/04/1001783704.db2.gz RWMLZGKUZIUJOH-ZEWNOJEFSA-N 2 1 422.976 3.739 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000498337494 1001783706 /nfs/dbraw/zinc/78/37/06/1001783706.db2.gz RWMLZGKUZIUJOH-ZEWNOJEFSA-N 2 1 422.976 3.739 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000498337494 1001783711 /nfs/dbraw/zinc/78/37/11/1001783711.db2.gz RWMLZGKUZIUJOH-ZEWNOJEFSA-N 2 1 422.976 3.739 20 0 HHADMP CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)CC1 ZINC000498515897 1001939185 /nfs/dbraw/zinc/93/91/85/1001939185.db2.gz VEYLXEJOHYEGJS-UHFFFAOYSA-N 2 1 414.638 3.801 20 0 HHADMP O=C(N1CCC(C[NH+]2CCCC2)CC1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000498526207 1001946991 /nfs/dbraw/zinc/94/69/91/1001946991.db2.gz VBFPVKNJXLLVMT-JOCHJYFZSA-N 2 1 423.523 3.775 20 0 HHADMP C[NH+](C)CCC1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000498638755 1002040340 /nfs/dbraw/zinc/04/03/40/1002040340.db2.gz OBTFEJIVWSOSFD-OAQYLSRUSA-N 2 1 411.512 3.631 20 0 HHADMP C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000498691477 1002078237 /nfs/dbraw/zinc/07/82/37/1002078237.db2.gz CZRKDOUSLNAUIM-TUSQITKMSA-N 2 1 420.601 3.813 20 0 HHADMP C[C@H](NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498691477 1002078246 /nfs/dbraw/zinc/07/82/46/1002078246.db2.gz CZRKDOUSLNAUIM-TUSQITKMSA-N 2 1 420.601 3.813 20 0 HHADMP C[C@H](NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498691477 1002078258 /nfs/dbraw/zinc/07/82/58/1002078258.db2.gz CZRKDOUSLNAUIM-TUSQITKMSA-N 2 1 420.601 3.813 20 0 HHADMP Cc1nc(C[NH+]2CCC(C[NH2+]C3CCN(CCC(F)(F)F)CC3)CC2)oc1C ZINC000507460579 1002084783 /nfs/dbraw/zinc/08/47/83/1002084783.db2.gz IOZMAOTZLNLGEM-UHFFFAOYSA-N 2 1 402.505 3.510 20 0 HHADMP O=C1CCCN1C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000507521421 1002130872 /nfs/dbraw/zinc/13/08/72/1002130872.db2.gz YAJAJOSPJRTAMI-LIONHTAISA-N 2 1 403.570 3.850 20 0 HHADMP O=C1CCCN1C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000507521421 1002130876 /nfs/dbraw/zinc/13/08/76/1002130876.db2.gz YAJAJOSPJRTAMI-LIONHTAISA-N 2 1 403.570 3.850 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@H](CN4CCOCC4)c4ccccc4)[C@@H]3C2)cc1 ZINC000507529903 1002138702 /nfs/dbraw/zinc/13/87/02/1002138702.db2.gz PBTNNNRROMKLOX-ROXDYWFKSA-N 2 1 405.586 3.560 20 0 HHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@H](CN4CCOCC4)c4ccccc4)[C@@H]3C2)cc1 ZINC000507529903 1002138695 /nfs/dbraw/zinc/13/86/95/1002138695.db2.gz PBTNNNRROMKLOX-ROXDYWFKSA-N 2 1 405.586 3.560 20 0 HHADMP O=C(c1ccccc1)N1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000507533040 1002141111 /nfs/dbraw/zinc/14/11/11/1002141111.db2.gz SSZGWOJWGVLPQG-QLBJFCOMSA-N 2 1 403.570 3.791 20 0 HHADMP O=C(c1ccccc1)N1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000507533037 1002141133 /nfs/dbraw/zinc/14/11/33/1002141133.db2.gz SSZGWOJWGVLPQG-PZUNEJSGSA-N 2 1 403.570 3.791 20 0 HHADMP C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000507921447 1002455701 /nfs/dbraw/zinc/45/57/01/1002455701.db2.gz ILPBVDBUWHCKHH-SFHVURJKSA-N 2 1 404.599 3.737 20 0 HHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCCN2CCN(c4ccccc4)CC2)C3)cc1 ZINC000499141364 1002525216 /nfs/dbraw/zinc/52/52/16/1002525216.db2.gz LJQDFLGUZVERJM-PQEXVNNFSA-N 2 1 418.629 3.984 20 0 HHADMP CCc1cc(N2CCC[C@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)ncn1 ZINC000499148871 1002532208 /nfs/dbraw/zinc/53/22/08/1002532208.db2.gz UIGFGNGJEOYEPU-XQUALCHDSA-N 2 1 405.590 3.793 20 0 HHADMP Fc1ccc([C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)N2CCOCC2)cc1 ZINC000499153065 1002537028 /nfs/dbraw/zinc/53/70/28/1002537028.db2.gz QQFWESJJDOQJAU-QYOOZWMWSA-N 2 1 423.576 3.984 20 0 HHADMP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)nc2)C1 ZINC000499189161 1002578715 /nfs/dbraw/zinc/57/87/15/1002578715.db2.gz IXBGGYMSCGMVAN-YCSHWKNNSA-N 2 1 405.590 3.829 20 0 HHADMP C[N@H+]1CC[C@@H](CNC(=O)NCC2(C)CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000508251719 1002773225 /nfs/dbraw/zinc/77/32/25/1002773225.db2.gz OGFFWBVTEMGMDK-LPHOPBHVSA-N 2 1 410.965 3.503 20 0 HHADMP C[N@H+]1CC[C@@H](CNC(=O)NCC2(C)CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000508251720 1002773452 /nfs/dbraw/zinc/77/34/52/1002773452.db2.gz OGFFWBVTEMGMDK-QFBILLFUSA-N 2 1 410.965 3.503 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(Br)ccc1Cl ZINC000499509286 1002898916 /nfs/dbraw/zinc/89/89/16/1002898916.db2.gz QCVCTKNVDFLCMM-OAHLLOKOSA-N 2 1 416.791 3.591 20 0 HHADMP COc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc(Br)c1OC(F)F ZINC000508544720 1003019932 /nfs/dbraw/zinc/01/99/32/1003019932.db2.gz MLCLYNNRFFCIDA-LBPRGKRZSA-N 2 1 407.299 3.833 20 0 HHADMP COc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc(Br)c1OC(F)F ZINC000508544720 1003019953 /nfs/dbraw/zinc/01/99/53/1003019953.db2.gz MLCLYNNRFFCIDA-LBPRGKRZSA-N 2 1 407.299 3.833 20 0 HHADMP COc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc(Br)c1OC(F)F ZINC000508544720 1003019921 /nfs/dbraw/zinc/01/99/21/1003019921.db2.gz MLCLYNNRFFCIDA-LBPRGKRZSA-N 2 1 407.299 3.833 20 0 HHADMP COc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc(Br)c1OC(F)F ZINC000508544720 1003019940 /nfs/dbraw/zinc/01/99/40/1003019940.db2.gz MLCLYNNRFFCIDA-LBPRGKRZSA-N 2 1 407.299 3.833 20 0 HHADMP CC[N@H+](Cc1ccc(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1)C(C)C ZINC000508606355 1003061074 /nfs/dbraw/zinc/06/10/74/1003061074.db2.gz YXPQVJHKUZYKRD-UHFFFAOYSA-N 2 1 422.573 3.557 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1)C(C)C ZINC000508606355 1003061064 /nfs/dbraw/zinc/06/10/64/1003061064.db2.gz YXPQVJHKUZYKRD-UHFFFAOYSA-N 2 1 422.573 3.557 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1)C(C)C ZINC000508606355 1003061090 /nfs/dbraw/zinc/06/10/90/1003061090.db2.gz YXPQVJHKUZYKRD-UHFFFAOYSA-N 2 1 422.573 3.557 20 0 HHADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC000508693534 1003130721 /nfs/dbraw/zinc/13/07/21/1003130721.db2.gz CYAQCZZDIGLNNW-GIFXNVAJSA-N 2 1 406.618 3.697 20 0 HHADMP C[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508716823 1003156641 /nfs/dbraw/zinc/15/66/41/1003156641.db2.gz LFJRDIGJZYALLF-ZWSUVBHBSA-N 2 1 411.565 3.699 20 0 HHADMP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000508721437 1003161525 /nfs/dbraw/zinc/16/15/25/1003161525.db2.gz URHFTYZCBNTAAS-BVSLBCMMSA-N 2 1 409.574 3.783 20 0 HHADMP C[C@H](NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508906765 1003344723 /nfs/dbraw/zinc/34/47/23/1003344723.db2.gz OHENNLFGMQDVDK-QXUYBEEESA-N 2 1 400.611 3.974 20 0 HHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000500109754 1003472304 /nfs/dbraw/zinc/47/23/04/1003472304.db2.gz IWIFLAGTAMZMHY-JXALWOEJSA-N 2 1 421.589 3.569 20 0 HHADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)CCOc1ccc(Br)cc1 ZINC000500120904 1003482451 /nfs/dbraw/zinc/48/24/51/1003482451.db2.gz YQQKFFHKQFFEAG-UHFFFAOYSA-N 2 1 412.416 3.566 20 0 HHADMP CCC[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC000509039297 1003509115 /nfs/dbraw/zinc/50/91/15/1003509115.db2.gz PMFJMJFLIUTAAG-HMXCVIKNSA-N 2 1 407.002 3.849 20 0 HHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1 ZINC000509039297 1003509109 /nfs/dbraw/zinc/50/91/09/1003509109.db2.gz PMFJMJFLIUTAAG-HMXCVIKNSA-N 2 1 407.002 3.849 20 0 HHADMP CCC[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC000509039297 1003509126 /nfs/dbraw/zinc/50/91/26/1003509126.db2.gz PMFJMJFLIUTAAG-HMXCVIKNSA-N 2 1 407.002 3.849 20 0 HHADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000500436950 1003716479 /nfs/dbraw/zinc/71/64/79/1003716479.db2.gz AMGHZWGXHDIABM-HSZRJFAPSA-N 2 1 406.574 3.669 20 0 HHADMP CCCN(CC[NH+]1CCCC1)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000500624484 1003840188 /nfs/dbraw/zinc/84/01/88/1003840188.db2.gz LZEZABBXEWOQLL-FYYLOGMGSA-N 2 1 400.611 3.805 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000500684398 1003893171 /nfs/dbraw/zinc/89/31/71/1003893171.db2.gz SAVRRMKBWOUPJD-KNKQGSTJSA-N 2 1 412.578 3.860 20 0 HHADMP C[NH+](C)CCCC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000500898071 1004036682 /nfs/dbraw/zinc/03/66/82/1004036682.db2.gz DHSFZNKPVCIIDC-LEWJYISDSA-N 2 1 407.002 3.849 20 0 HHADMP C[NH+](C)CCCC1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000500898071 1004036694 /nfs/dbraw/zinc/03/66/94/1004036694.db2.gz DHSFZNKPVCIIDC-LEWJYISDSA-N 2 1 407.002 3.849 20 0 HHADMP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C(C)C ZINC000512125245 1004041003 /nfs/dbraw/zinc/04/10/03/1004041003.db2.gz XVQPUTOAPRQQLC-TXTKFYIRSA-N 2 1 401.595 3.631 20 0 HHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C(C)C ZINC000512125245 1004041012 /nfs/dbraw/zinc/04/10/12/1004041012.db2.gz XVQPUTOAPRQQLC-TXTKFYIRSA-N 2 1 401.595 3.631 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000512171293 1004075007 /nfs/dbraw/zinc/07/50/07/1004075007.db2.gz GPSUOHDFRWCXSN-PKTZIBPZSA-N 2 1 408.590 3.889 20 0 HHADMP CC(C)(CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C[NH+]1CCCC1 ZINC000512172872 1004075901 /nfs/dbraw/zinc/07/59/01/1004075901.db2.gz PSQUSCMHXGERBE-NRFANRHFSA-N 2 1 400.611 3.708 20 0 HHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000512175195 1004077190 /nfs/dbraw/zinc/07/71/90/1004077190.db2.gz KOBAGEUVOZUAIG-YADHBBJMSA-N 2 1 400.611 3.660 20 0 HHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000512175195 1004077194 /nfs/dbraw/zinc/07/71/94/1004077194.db2.gz KOBAGEUVOZUAIG-YADHBBJMSA-N 2 1 400.611 3.660 20 0 HHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000512175195 1004077198 /nfs/dbraw/zinc/07/71/98/1004077198.db2.gz KOBAGEUVOZUAIG-YADHBBJMSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3c[nH]nc3-c3c(F)cccc3F)CC2)C[C@H](C)O1 ZINC000512188273 1004089086 /nfs/dbraw/zinc/08/90/86/1004089086.db2.gz XSGLKHZPBVJAGY-IYBDPMFKSA-N 2 1 404.505 3.676 20 0 HHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3OCC(=O)NCC3CC3)C2)CC1 ZINC000512193465 1004095159 /nfs/dbraw/zinc/09/51/59/1004095159.db2.gz IAKIZPNMZAXBTL-QFIPXVFZSA-N 2 1 413.606 3.536 20 0 HHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3OCC(=O)NCC3CC3)C2)CC1 ZINC000512193465 1004095170 /nfs/dbraw/zinc/09/51/70/1004095170.db2.gz IAKIZPNMZAXBTL-QFIPXVFZSA-N 2 1 413.606 3.536 20 0 HHADMP Cn1ccnc1COc1ccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501018439 1004120567 /nfs/dbraw/zinc/12/05/67/1004120567.db2.gz FAQKVXGPLKPYGJ-UHFFFAOYSA-N 2 1 405.546 3.743 20 0 HHADMP COc1ccc(NC(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000501023616 1004126954 /nfs/dbraw/zinc/12/69/54/1004126954.db2.gz UARZEHBHSKEXNW-UHFFFAOYSA-N 2 1 402.926 3.531 20 0 HHADMP CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501027884 1004131544 /nfs/dbraw/zinc/13/15/44/1004131544.db2.gz WXPHXATZRGSWDZ-QHCPKHFHSA-N 2 1 424.589 3.896 20 0 HHADMP CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501043004 1004143773 /nfs/dbraw/zinc/14/37/73/1004143773.db2.gz DAGSUFXVXCCUDB-UHFFFAOYSA-N 2 1 418.944 3.681 20 0 HHADMP Cn1nccc1-c1ccccc1C[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000509848438 1004145950 /nfs/dbraw/zinc/14/59/50/1004145950.db2.gz IQBCBNAQUYXZMO-RUZDIDTESA-N 2 1 403.574 3.556 20 0 HHADMP C[N@H+](CC(=O)Nc1ccnn1CC1CCCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501066979 1004169359 /nfs/dbraw/zinc/16/93/59/1004169359.db2.gz HFPPNFLHLIEMDY-UHFFFAOYSA-N 2 1 424.593 3.645 20 0 HHADMP O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512279436 1004181067 /nfs/dbraw/zinc/18/10/67/1004181067.db2.gz TZFIBVOMYFDKMU-SANMLTNESA-N 2 1 417.553 3.661 20 0 HHADMP O=C1c2ccccc2C(=O)N1CCCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512279436 1004181077 /nfs/dbraw/zinc/18/10/77/1004181077.db2.gz TZFIBVOMYFDKMU-SANMLTNESA-N 2 1 417.553 3.661 20 0 HHADMP O=C1c2ccccc2C(=O)N1CCCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512279436 1004181086 /nfs/dbraw/zinc/18/10/86/1004181086.db2.gz TZFIBVOMYFDKMU-SANMLTNESA-N 2 1 417.553 3.661 20 0 HHADMP CCC[N@H+](CC[S@@](=O)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512283158 1004185003 /nfs/dbraw/zinc/18/50/03/1004185003.db2.gz YWSKLSQURONBRB-MUUNZHRXSA-N 2 1 400.592 3.582 20 0 HHADMP CCC[N@@H+](CC[S@@](=O)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512283158 1004185009 /nfs/dbraw/zinc/18/50/09/1004185009.db2.gz YWSKLSQURONBRB-MUUNZHRXSA-N 2 1 400.592 3.582 20 0 HHADMP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(OC)c1 ZINC000512324793 1004217914 /nfs/dbraw/zinc/21/79/14/1004217914.db2.gz SKTQBFKOHQWZHH-KSZLIROESA-N 2 1 403.567 3.664 20 0 HHADMP C[NH+](C)CCn1ncc(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c1-c1ccccc1 ZINC000509939239 1004220036 /nfs/dbraw/zinc/22/00/36/1004220036.db2.gz CFJLRMRHBYXUCF-JOCHJYFZSA-N 2 1 423.605 3.639 20 0 HHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000512391690 1004265147 /nfs/dbraw/zinc/26/51/47/1004265147.db2.gz GVISCIWCCQCJMG-MZYLBHOOSA-N 2 1 400.611 3.660 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000512391690 1004265153 /nfs/dbraw/zinc/26/51/53/1004265153.db2.gz GVISCIWCCQCJMG-MZYLBHOOSA-N 2 1 400.611 3.660 20 0 HHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000512391690 1004265164 /nfs/dbraw/zinc/26/51/64/1004265164.db2.gz GVISCIWCCQCJMG-MZYLBHOOSA-N 2 1 400.611 3.660 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000512424417 1004290274 /nfs/dbraw/zinc/29/02/74/1004290274.db2.gz QEZCTSWPITYHFM-QDSKXPNFSA-N 2 1 412.622 3.660 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000512424417 1004290281 /nfs/dbraw/zinc/29/02/81/1004290281.db2.gz QEZCTSWPITYHFM-QDSKXPNFSA-N 2 1 412.622 3.660 20 0 HHADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000512424417 1004290288 /nfs/dbraw/zinc/29/02/88/1004290288.db2.gz QEZCTSWPITYHFM-QDSKXPNFSA-N 2 1 412.622 3.660 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000512424416 1004290435 /nfs/dbraw/zinc/29/04/35/1004290435.db2.gz QEZCTSWPITYHFM-HUVFLSCGSA-N 2 1 412.622 3.660 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000512424416 1004290441 /nfs/dbraw/zinc/29/04/41/1004290441.db2.gz QEZCTSWPITYHFM-HUVFLSCGSA-N 2 1 412.622 3.660 20 0 HHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000512424416 1004290448 /nfs/dbraw/zinc/29/04/48/1004290448.db2.gz QEZCTSWPITYHFM-HUVFLSCGSA-N 2 1 412.622 3.660 20 0 HHADMP C[C@H](NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc(F)c1F ZINC000501320543 1004347300 /nfs/dbraw/zinc/34/73/00/1004347300.db2.gz PTRQYRRBALXTMY-KRWDZBQOSA-N 2 1 422.564 3.864 20 0 HHADMP CC[C@H](CNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000501375357 1004375530 /nfs/dbraw/zinc/37/55/30/1004375530.db2.gz ALOJFCKPBFXUPO-NZQKXSOJSA-N 2 1 400.611 3.635 20 0 HHADMP CC[C@H](CNC(=O)NCCCC[NH+]1CCC[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000501375357 1004375537 /nfs/dbraw/zinc/37/55/37/1004375537.db2.gz ALOJFCKPBFXUPO-NZQKXSOJSA-N 2 1 400.611 3.635 20 0 HHADMP CC[C@H](CNC(=O)NCCCC[NH+]1CCC[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000501375357 1004375546 /nfs/dbraw/zinc/37/55/46/1004375546.db2.gz ALOJFCKPBFXUPO-NZQKXSOJSA-N 2 1 400.611 3.635 20 0 HHADMP C[N@@H+](CCCOc1cccc(I)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512581541 1004399295 /nfs/dbraw/zinc/39/92/95/1004399295.db2.gz IIMKVDZXDRFBKT-SJPCQFCGSA-N 2 1 414.331 3.617 20 0 HHADMP C[NH+](CCCOc1cccc(I)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000512581541 1004399301 /nfs/dbraw/zinc/39/93/01/1004399301.db2.gz IIMKVDZXDRFBKT-SJPCQFCGSA-N 2 1 414.331 3.617 20 0 HHADMP C[NH+](CCCOc1cccc(I)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000512581541 1004399305 /nfs/dbraw/zinc/39/93/05/1004399305.db2.gz IIMKVDZXDRFBKT-SJPCQFCGSA-N 2 1 414.331 3.617 20 0 HHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000510221603 1004405537 /nfs/dbraw/zinc/40/55/37/1004405537.db2.gz IQDBRGJJNAAKBZ-UHFFFAOYSA-N 2 1 411.594 3.872 20 0 HHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000510221603 1004405541 /nfs/dbraw/zinc/40/55/41/1004405541.db2.gz IQDBRGJJNAAKBZ-UHFFFAOYSA-N 2 1 411.594 3.872 20 0 HHADMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)COc1ccc(F)c(F)c1 ZINC000512618277 1004431203 /nfs/dbraw/zinc/43/12/03/1004431203.db2.gz IACZVNHJWFHTPF-PDSFRDGWSA-N 2 1 416.512 3.595 20 0 HHADMP O=C1COc2ccccc2N1CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512661849 1004472789 /nfs/dbraw/zinc/47/27/89/1004472789.db2.gz USGQVUBHTVRHEZ-XPWALMASSA-N 2 1 419.569 3.692 20 0 HHADMP O=C(NCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1c(F)cccc1F ZINC000512664570 1004475592 /nfs/dbraw/zinc/47/55/92/1004475592.db2.gz AGGAYOSRUVRURH-CNNODRBYSA-N 2 1 413.512 3.585 20 0 HHADMP C[C@@H](NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000512687963 1004494974 /nfs/dbraw/zinc/49/49/74/1004494974.db2.gz AAEQLKXAPKLTEM-TZIWHRDSSA-N 2 1 400.611 3.849 20 0 HHADMP C[C@@H](NC(=O)NC(C)(C)C[NH+](C)Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512687963 1004494981 /nfs/dbraw/zinc/49/49/81/1004494981.db2.gz AAEQLKXAPKLTEM-TZIWHRDSSA-N 2 1 400.611 3.849 20 0 HHADMP C[C@@H](NC(=O)NC(C)(C)C[NH+](C)Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512687963 1004494984 /nfs/dbraw/zinc/49/49/84/1004494984.db2.gz AAEQLKXAPKLTEM-TZIWHRDSSA-N 2 1 400.611 3.849 20 0 HHADMP C[C@@H](NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512710942 1004509739 /nfs/dbraw/zinc/50/97/39/1004509739.db2.gz CLEZMDAWXODRKZ-IFMALSPDSA-N 2 1 412.622 3.945 20 0 HHADMP CCc1ccc([C@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3C(F)(F)F)CC[NH2+]2)cc1 ZINC000512727577 1004521598 /nfs/dbraw/zinc/52/15/98/1004521598.db2.gz ITMAJYJEPLGYFV-GUDVDZBRSA-N 2 1 411.512 3.631 20 0 HHADMP CCc1ccc([C@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3C(F)(F)F)CC[NH2+]2)cc1 ZINC000512727577 1004521603 /nfs/dbraw/zinc/52/16/03/1004521603.db2.gz ITMAJYJEPLGYFV-GUDVDZBRSA-N 2 1 411.512 3.631 20 0 HHADMP FC(F)OC[C@@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@@H](COC(F)F)C2)C1 ZINC000512821667 1004580853 /nfs/dbraw/zinc/58/08/53/1004580853.db2.gz CWFMIPVCUKVORZ-HZPDHXFCSA-N 2 1 404.448 3.809 20 0 HHADMP Cc1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(OCC[NH+](C)C)c1 ZINC000512836681 1004595502 /nfs/dbraw/zinc/59/55/02/1004595502.db2.gz AWDGEPZWPXYFMY-RTBURBONSA-N 2 1 402.583 3.710 20 0 HHADMP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512851985 1004614885 /nfs/dbraw/zinc/61/48/85/1004614885.db2.gz LRYUIVIJSLGCNA-OALUTQOASA-N 2 1 424.511 3.596 20 0 HHADMP O=C(N[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000512851985 1004614894 /nfs/dbraw/zinc/61/48/94/1004614894.db2.gz LRYUIVIJSLGCNA-OALUTQOASA-N 2 1 424.511 3.596 20 0 HHADMP O=C(N[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000512851985 1004614919 /nfs/dbraw/zinc/61/49/19/1004614919.db2.gz LRYUIVIJSLGCNA-OALUTQOASA-N 2 1 424.511 3.596 20 0 HHADMP CC(C)Oc1ccc([C@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)[NH+](C)C)cc1 ZINC000512919526 1004692350 /nfs/dbraw/zinc/69/23/50/1004692350.db2.gz ZXISDTNPKOICBA-UNMCSNQZSA-N 2 1 404.599 3.592 20 0 HHADMP C[C@@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510561332 1004704790 /nfs/dbraw/zinc/70/47/90/1004704790.db2.gz NCPFMTOZFZDJKV-UYAOXDASSA-N 2 1 416.585 3.742 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1F ZINC000510561578 1004705503 /nfs/dbraw/zinc/70/55/03/1004705503.db2.gz NROSYSOVAFMHFZ-LPHOPBHVSA-N 2 1 413.541 3.772 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1F ZINC000510561578 1004705505 /nfs/dbraw/zinc/70/55/05/1004705505.db2.gz NROSYSOVAFMHFZ-LPHOPBHVSA-N 2 1 413.541 3.772 20 0 HHADMP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)CC1 ZINC000501785718 1004727784 /nfs/dbraw/zinc/72/77/84/1004727784.db2.gz MTZJPJKDKHNHDE-UHFFFAOYSA-N 2 1 411.472 3.574 20 0 HHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C3CCN(c4nccs4)CC3)CC2)cs1 ZINC000513203629 1004859168 /nfs/dbraw/zinc/85/91/68/1004859168.db2.gz HJSUFGNLWRKJHW-UHFFFAOYSA-N 2 1 405.637 3.633 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000513326812 1004913444 /nfs/dbraw/zinc/91/34/44/1004913444.db2.gz XHTMEJGLHUXJHV-PXDATVDWSA-N 3 1 407.602 3.786 20 0 HHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC000513326812 1004913450 /nfs/dbraw/zinc/91/34/50/1004913450.db2.gz XHTMEJGLHUXJHV-PXDATVDWSA-N 3 1 407.602 3.786 20 0 HHADMP CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000510976721 1004962586 /nfs/dbraw/zinc/96/25/86/1004962586.db2.gz VIQOIXFWFZKLRE-FPOVZHCZSA-N 2 1 401.595 3.790 20 0 HHADMP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000513440301 1004967462 /nfs/dbraw/zinc/96/74/62/1004967462.db2.gz UDKHEYNZNACNKD-LJQANCHMSA-N 2 1 410.562 3.936 20 0 HHADMP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000513440301 1004967469 /nfs/dbraw/zinc/96/74/69/1004967469.db2.gz UDKHEYNZNACNKD-LJQANCHMSA-N 2 1 410.562 3.936 20 0 HHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000513448295 1004970906 /nfs/dbraw/zinc/97/09/06/1004970906.db2.gz QZXBVJMIAPRFBL-NQIIRXRSSA-N 2 1 411.512 3.822 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000513448295 1004970908 /nfs/dbraw/zinc/97/09/08/1004970908.db2.gz QZXBVJMIAPRFBL-NQIIRXRSSA-N 2 1 411.512 3.822 20 0 HHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000513448295 1004970912 /nfs/dbraw/zinc/97/09/12/1004970912.db2.gz QZXBVJMIAPRFBL-NQIIRXRSSA-N 2 1 411.512 3.822 20 0 HHADMP CC[NH+](CC)Cc1ccc(C(=O)NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1 ZINC000513476375 1004983315 /nfs/dbraw/zinc/98/33/15/1004983315.db2.gz RHAXTXLRHHBUBJ-UHFFFAOYSA-N 2 1 412.578 3.775 20 0 HHADMP COc1cc(C)c(C[C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1OC ZINC000502274030 1004988876 /nfs/dbraw/zinc/98/88/76/1004988876.db2.gz MONSGIZDDYPEEH-PMACEKPBSA-N 2 1 412.574 3.954 20 0 HHADMP COc1cc(C)c(C[C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1OC ZINC000502274030 1004988880 /nfs/dbraw/zinc/98/88/80/1004988880.db2.gz MONSGIZDDYPEEH-PMACEKPBSA-N 2 1 412.574 3.954 20 0 HHADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccccc2OCC(=O)N(C)C)C[N@H+]1Cc1ccccc1 ZINC000513506281 1004995338 /nfs/dbraw/zinc/99/53/38/1004995338.db2.gz PLVMGCIZGNGENU-UNMCSNQZSA-N 2 1 409.574 3.544 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000511073024 1005007116 /nfs/dbraw/zinc/00/71/16/1005007116.db2.gz ICEZQQUMZHVDPC-HSZRJFAPSA-N 2 1 413.512 3.710 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000511073024 1005007120 /nfs/dbraw/zinc/00/71/20/1005007120.db2.gz ICEZQQUMZHVDPC-HSZRJFAPSA-N 2 1 413.512 3.710 20 0 HHADMP O=C(C[N@@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000511096706 1005017091 /nfs/dbraw/zinc/01/70/91/1005017091.db2.gz QEFIENQXTYOTQW-QGZVFWFLSA-N 2 1 409.496 3.628 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C[C@@H](C)O1 ZINC000511166650 1005054801 /nfs/dbraw/zinc/05/48/01/1005054801.db2.gz DJAXMBTXBVNVJA-DNRQZRRGSA-N 2 1 421.585 3.577 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C[C@@H](C)O1 ZINC000511166650 1005054805 /nfs/dbraw/zinc/05/48/05/1005054805.db2.gz DJAXMBTXBVNVJA-DNRQZRRGSA-N 2 1 421.585 3.577 20 0 HHADMP C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1)C1=CC[NH+](C)CC1 ZINC000511246786 1005089503 /nfs/dbraw/zinc/08/95/03/1005089503.db2.gz FHCZGRJRKJECDR-QGZVFWFLSA-N 2 1 424.511 3.573 20 0 HHADMP C[C@@H](NC(=O)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1)C1=CC[N@H+](C)CC1 ZINC000511246786 1005089508 /nfs/dbraw/zinc/08/95/08/1005089508.db2.gz FHCZGRJRKJECDR-QGZVFWFLSA-N 2 1 424.511 3.573 20 0 HHADMP C[C@@H](NC(=O)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000511246786 1005089511 /nfs/dbraw/zinc/08/95/11/1005089511.db2.gz FHCZGRJRKJECDR-QGZVFWFLSA-N 2 1 424.511 3.573 20 0 HHADMP C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511249119 1005090832 /nfs/dbraw/zinc/09/08/32/1005090832.db2.gz KNRZMXPECHRKLU-UFYCRDLUSA-N 2 1 418.651 3.912 20 0 HHADMP C[C@H](NC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511249119 1005090840 /nfs/dbraw/zinc/09/08/40/1005090840.db2.gz KNRZMXPECHRKLU-UFYCRDLUSA-N 2 1 418.651 3.912 20 0 HHADMP C[C@H](NC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511249119 1005090848 /nfs/dbraw/zinc/09/08/48/1005090848.db2.gz KNRZMXPECHRKLU-UFYCRDLUSA-N 2 1 418.651 3.912 20 0 HHADMP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511266315 1005098315 /nfs/dbraw/zinc/09/83/15/1005098315.db2.gz DEQCDJNKJXRVJH-MJGOQNOKSA-N 2 1 422.564 3.691 20 0 HHADMP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511267523 1005098776 /nfs/dbraw/zinc/09/87/76/1005098776.db2.gz IWNNZVORNUTGHO-QUCCMNQESA-N 2 1 404.574 3.552 20 0 HHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cnn(C2CCCC2)c1 ZINC000502680494 1005177477 /nfs/dbraw/zinc/17/74/77/1005177477.db2.gz AOAGUDFHIRGHSG-NQIIRXRSSA-N 2 1 409.578 3.546 20 0 HHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000502799749 1005223389 /nfs/dbraw/zinc/22/33/89/1005223389.db2.gz SYWGCUOCOGIZOP-ZWKOTPCHSA-N 2 1 414.619 3.923 20 0 HHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000502799749 1005223393 /nfs/dbraw/zinc/22/33/93/1005223393.db2.gz SYWGCUOCOGIZOP-ZWKOTPCHSA-N 2 1 414.619 3.923 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1F ZINC000514010253 1005226618 /nfs/dbraw/zinc/22/66/18/1005226618.db2.gz VRRXQCYEOPRUNY-UHFFFAOYSA-N 2 1 421.520 3.915 20 0 HHADMP CCC1(CNC(=O)NCCCCn2cc[nH+]c2C)CC[NH+](Cc2ccccc2)CC1 ZINC000514024728 1005232415 /nfs/dbraw/zinc/23/24/15/1005232415.db2.gz OBBJSGKDUHTOGP-UHFFFAOYSA-N 2 1 411.594 3.963 20 0 HHADMP COc1ccccc1[C@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000503109690 1005349513 /nfs/dbraw/zinc/34/95/13/1005349513.db2.gz VMYWOWLKOHJZCO-QHCPKHFHSA-N 2 1 424.589 3.604 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000503212139 1005369653 /nfs/dbraw/zinc/36/96/53/1005369653.db2.gz MSWVMEBWYFXOLH-VTZPFEBOSA-N 2 1 420.601 3.686 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000503212139 1005369655 /nfs/dbraw/zinc/36/96/55/1005369655.db2.gz MSWVMEBWYFXOLH-VTZPFEBOSA-N 2 1 420.601 3.686 20 0 HHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000503212139 1005369657 /nfs/dbraw/zinc/36/96/57/1005369657.db2.gz MSWVMEBWYFXOLH-VTZPFEBOSA-N 2 1 420.601 3.686 20 0 HHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000503401707 1005408977 /nfs/dbraw/zinc/40/89/77/1005408977.db2.gz QWDIRBCFTQGISQ-GPXNEJASSA-N 2 1 412.622 3.975 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000503416833 1005413954 /nfs/dbraw/zinc/41/39/54/1005413954.db2.gz AUPLLXCLBXPTBS-MQSCRBSSSA-N 2 1 414.638 3.607 20 0 HHADMP C[N@@H+](CCCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)Cc1ccccc1 ZINC000503448174 1005423437 /nfs/dbraw/zinc/42/34/37/1005423437.db2.gz VIIJOTUHHGPJCU-HSZRJFAPSA-N 2 1 400.611 3.806 20 0 HHADMP CCc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[NH+](C)C)cc1 ZINC000503496495 1005437184 /nfs/dbraw/zinc/43/71/84/1005437184.db2.gz AELGUIYGNZLOBB-ZCYQVOJMSA-N 2 1 422.617 3.716 20 0 HHADMP CC(C)[NH+](CCN(C)C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000503991614 1005527533 /nfs/dbraw/zinc/52/75/33/1005527533.db2.gz CZWJVSDHMORGLZ-OYRHEFFESA-N 2 1 418.626 3.556 20 0 HHADMP CC(C)[NH+](CCN(C)C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000503991614 1005527535 /nfs/dbraw/zinc/52/75/35/1005527535.db2.gz CZWJVSDHMORGLZ-OYRHEFFESA-N 2 1 418.626 3.556 20 0 HHADMP COc1cccc([C@@H]2[C@H](NC(=O)N(C)CC[NH+](C(C)C)C(C)C)CC[N@H+]2C2CC2)c1 ZINC000504402473 1005619392 /nfs/dbraw/zinc/61/93/92/1005619392.db2.gz AMVPZFBKUKPJFP-DHIUTWEWSA-N 2 1 416.610 3.733 20 0 HHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000534059911 1006031875 /nfs/dbraw/zinc/03/18/75/1006031875.db2.gz ZJHAUIZGRUBDIZ-SFHVURJKSA-N 2 1 400.792 3.707 20 0 HHADMP Cc1cccc2c1CC[C@@H]2NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000531189888 1006035859 /nfs/dbraw/zinc/03/58/59/1006035859.db2.gz GVSSIWZNRRPDAD-DEOSSOPVSA-N 2 1 412.622 3.820 20 0 HHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000531227891 1006059402 /nfs/dbraw/zinc/05/94/02/1006059402.db2.gz IJYQMRVLSNMXQH-LVCYWYKZSA-N 2 1 404.986 3.745 20 0 HHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCCSCc3ccccc3)CC2)CC1 ZINC000534133874 1006113413 /nfs/dbraw/zinc/11/34/13/1006113413.db2.gz ZIWQGUMPSRLHOY-UHFFFAOYSA-N 2 1 403.636 3.576 20 0 HHADMP C[N@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534226363 1006224194 /nfs/dbraw/zinc/22/41/94/1006224194.db2.gz KHINQDTWCTXGFX-WWMYMODYSA-N 2 1 422.976 3.788 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534226363 1006224210 /nfs/dbraw/zinc/22/42/10/1006224210.db2.gz KHINQDTWCTXGFX-WWMYMODYSA-N 2 1 422.976 3.788 20 0 HHADMP C[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534226363 1006224222 /nfs/dbraw/zinc/22/42/22/1006224222.db2.gz KHINQDTWCTXGFX-WWMYMODYSA-N 2 1 422.976 3.788 20 0 HHADMP O=C(C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000534232136 1006232172 /nfs/dbraw/zinc/23/21/72/1006232172.db2.gz FZZQTIKSEXZOBJ-HXUWFJFHSA-N 2 1 423.523 3.775 20 0 HHADMP CCC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534234859 1006237166 /nfs/dbraw/zinc/23/71/66/1006237166.db2.gz HPXMCMLKKRIICK-JXFKEZNVSA-N 2 1 410.965 3.646 20 0 HHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000534248772 1006255956 /nfs/dbraw/zinc/25/59/56/1006255956.db2.gz ACPJUXPNRJEORY-YDPGBSGYSA-N 2 1 424.992 3.844 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000534248772 1006255964 /nfs/dbraw/zinc/25/59/64/1006255964.db2.gz ACPJUXPNRJEORY-YDPGBSGYSA-N 2 1 424.992 3.844 20 0 HHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000534248772 1006255973 /nfs/dbraw/zinc/25/59/73/1006255973.db2.gz ACPJUXPNRJEORY-YDPGBSGYSA-N 2 1 424.992 3.844 20 0 HHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534249079 1006256078 /nfs/dbraw/zinc/25/60/78/1006256078.db2.gz AKYFSYOBDOIPSI-WFXMLNOXSA-N 2 1 424.992 3.988 20 0 HHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534249079 1006256091 /nfs/dbraw/zinc/25/60/91/1006256091.db2.gz AKYFSYOBDOIPSI-WFXMLNOXSA-N 2 1 424.992 3.988 20 0 HHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534249079 1006256099 /nfs/dbraw/zinc/25/60/99/1006256099.db2.gz AKYFSYOBDOIPSI-WFXMLNOXSA-N 2 1 424.992 3.988 20 0 HHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534252792 1006261432 /nfs/dbraw/zinc/26/14/32/1006261432.db2.gz WXIITULMASAQNE-NYUBLWNDSA-N 2 1 422.976 3.740 20 0 HHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534252792 1006261440 /nfs/dbraw/zinc/26/14/40/1006261440.db2.gz WXIITULMASAQNE-NYUBLWNDSA-N 2 1 422.976 3.740 20 0 HHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534252792 1006261450 /nfs/dbraw/zinc/26/14/50/1006261450.db2.gz WXIITULMASAQNE-NYUBLWNDSA-N 2 1 422.976 3.740 20 0 HHADMP Cc1cc(Br)cnc1N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000531569558 1006277028 /nfs/dbraw/zinc/27/70/28/1006277028.db2.gz SARDGUINKUVGAI-UHFFFAOYSA-N 2 1 409.416 3.785 20 0 HHADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)CCCO2 ZINC000531677589 1006348576 /nfs/dbraw/zinc/34/85/76/1006348576.db2.gz YTCWTAWKCLNAJI-PMACEKPBSA-N 2 1 401.576 3.549 20 0 HHADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c1C ZINC000531677649 1006349014 /nfs/dbraw/zinc/34/90/14/1006349014.db2.gz FDGGJKLNJUJFER-GHTZIAJQSA-N 2 1 414.619 3.660 20 0 HHADMP CC(C)COc1ccc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000515253931 1006363958 /nfs/dbraw/zinc/36/39/58/1006363958.db2.gz ASIMJGBVLWSHLU-SFTDATJTSA-N 2 1 404.595 3.812 20 0 HHADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)CC[C@H]21 ZINC000531738866 1006390122 /nfs/dbraw/zinc/39/01/22/1006390122.db2.gz CLNBIIAZQBAOGW-DUXKGJEZSA-N 2 1 404.986 3.603 20 0 HHADMP Cc1cc(CNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(N2CCCC2)[nH+]1 ZINC000515334821 1006405246 /nfs/dbraw/zinc/40/52/46/1006405246.db2.gz IFJXRBMGLSOVLM-JOCHJYFZSA-N 2 1 421.589 3.654 20 0 HHADMP Cc1cc(CNC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(N2CCCC2)[nH+]1 ZINC000515334821 1006405254 /nfs/dbraw/zinc/40/52/54/1006405254.db2.gz IFJXRBMGLSOVLM-JOCHJYFZSA-N 2 1 421.589 3.654 20 0 HHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cc(Cl)cc4cccnc43)c2)C1 ZINC000531910807 1006514927 /nfs/dbraw/zinc/51/49/27/1006514927.db2.gz AQOLCXOXPYBZSX-FQEVSTJZSA-N 2 1 422.960 3.875 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)cc1 ZINC000531970486 1006553032 /nfs/dbraw/zinc/55/30/32/1006553032.db2.gz WFNOIIJZALVJNJ-YKSBVNFPSA-N 2 1 404.558 3.775 20 0 HHADMP COc1cc(C[C@H](CO)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc(OC)c1 ZINC000531994966 1006566660 /nfs/dbraw/zinc/56/66/60/1006566660.db2.gz VWDWZCDPQGSLRF-XLIONFOSSA-N 2 1 409.530 3.700 20 0 HHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2cc(-c3ccccc3)n[nH]2)c1)C1CCOCC1 ZINC000532011078 1006574789 /nfs/dbraw/zinc/57/47/89/1006574789.db2.gz XWTKMFSNXJFUHE-UHFFFAOYSA-N 2 1 420.557 3.856 20 0 HHADMP Cc1nc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)oc1-c1ccc(Cl)cc1 ZINC000532090268 1006625368 /nfs/dbraw/zinc/62/53/68/1006625368.db2.gz KQAHXKJJMBDNBI-HXUWFJFHSA-N 2 1 402.970 3.904 20 0 HHADMP Cc1nc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)oc1-c1ccc(Cl)cc1 ZINC000532090268 1006625370 /nfs/dbraw/zinc/62/53/70/1006625370.db2.gz KQAHXKJJMBDNBI-HXUWFJFHSA-N 2 1 402.970 3.904 20 0 HHADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000515825325 1006702116 /nfs/dbraw/zinc/70/21/16/1006702116.db2.gz OBQBLOWJGQGIDM-RTWAWAEBSA-N 2 1 400.611 3.840 20 0 HHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccc4c(c3)OCCCO4)cc2)CC1 ZINC000532446412 1006888802 /nfs/dbraw/zinc/88/88/02/1006888802.db2.gz YTTIQRPCDGLYRY-FQEVSTJZSA-N 2 1 409.574 3.836 20 0 HHADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000532452571 1006894942 /nfs/dbraw/zinc/89/49/42/1006894942.db2.gz KGRKUBHNTDHPLF-IBGZPJMESA-N 2 1 407.624 3.632 20 0 HHADMP C[C@H](CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)C[NH+]1CCCCC1 ZINC000516159438 1006922435 /nfs/dbraw/zinc/92/24/35/1006922435.db2.gz WZAMFSOTDOJMPI-RTWAWAEBSA-N 2 1 400.611 3.982 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538663097 1006939086 /nfs/dbraw/zinc/93/90/86/1006939086.db2.gz QXNCSYROSDXDLC-QMMLZNLJSA-N 2 1 422.976 3.881 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538663097 1006939091 /nfs/dbraw/zinc/93/90/91/1006939091.db2.gz QXNCSYROSDXDLC-QMMLZNLJSA-N 2 1 422.976 3.881 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538663097 1006939101 /nfs/dbraw/zinc/93/91/01/1006939101.db2.gz QXNCSYROSDXDLC-QMMLZNLJSA-N 2 1 422.976 3.881 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538663097 1006939106 /nfs/dbraw/zinc/93/91/06/1006939106.db2.gz QXNCSYROSDXDLC-QMMLZNLJSA-N 2 1 422.976 3.881 20 0 HHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000532506822 1006946457 /nfs/dbraw/zinc/94/64/57/1006946457.db2.gz NJSJKKUHYBUXLS-BOSCWZPRSA-N 2 1 413.587 3.904 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)C[C@H]2CCC[NH+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538665957 1006950560 /nfs/dbraw/zinc/95/05/60/1006950560.db2.gz OIQRNSYZHGVAJO-ORYQWCPZSA-N 2 1 424.992 3.986 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N(C)C[C@H]2CCC[NH+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538665957 1006950566 /nfs/dbraw/zinc/95/05/66/1006950566.db2.gz OIQRNSYZHGVAJO-ORYQWCPZSA-N 2 1 424.992 3.986 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538665957 1006950577 /nfs/dbraw/zinc/95/05/77/1006950577.db2.gz OIQRNSYZHGVAJO-ORYQWCPZSA-N 2 1 424.992 3.986 20 0 HHADMP CC(C)[NH+]1CC[C@H](NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538665957 1006950589 /nfs/dbraw/zinc/95/05/89/1006950589.db2.gz OIQRNSYZHGVAJO-ORYQWCPZSA-N 2 1 424.992 3.986 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3c[nH]nc3-c3ccccc3F)CC2)CC1 ZINC000538723627 1006999945 /nfs/dbraw/zinc/99/99/45/1006999945.db2.gz QAAQMYRCMRFMDB-UHFFFAOYSA-N 2 1 413.585 3.844 20 0 HHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1c[nH]nc1-c1ccccc1F ZINC000538723627 1006999957 /nfs/dbraw/zinc/99/99/57/1006999957.db2.gz QAAQMYRCMRFMDB-UHFFFAOYSA-N 3 1 413.585 3.844 20 0 HHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1c[nH]nc1-c1ccccc1F ZINC000538723627 1006999966 /nfs/dbraw/zinc/99/99/66/1006999966.db2.gz QAAQMYRCMRFMDB-UHFFFAOYSA-N 3 1 413.585 3.844 20 0 HHADMP C[C@H]1C[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000538723851 1007000249 /nfs/dbraw/zinc/00/02/49/1007000249.db2.gz DETVECICVDPUJH-NBGIEHNGSA-N 2 1 411.565 3.863 20 0 HHADMP C[C@H]1C[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000538723851 1007000263 /nfs/dbraw/zinc/00/02/63/1007000263.db2.gz DETVECICVDPUJH-NBGIEHNGSA-N 2 1 411.565 3.863 20 0 HHADMP C[C@@H]1C[N@H+](Cc2c(OC(F)F)ccc3ccccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000538724316 1007001909 /nfs/dbraw/zinc/00/19/09/1007001909.db2.gz DPRIXBFTKQZLAU-DYESRHJHSA-N 2 1 403.517 3.899 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2c(OC(F)F)ccc3ccccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000538724316 1007001923 /nfs/dbraw/zinc/00/19/23/1007001923.db2.gz DPRIXBFTKQZLAU-DYESRHJHSA-N 2 1 403.517 3.899 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC000538741032 1007025786 /nfs/dbraw/zinc/02/57/86/1007025786.db2.gz QYOHGEDELDRYMC-QGZVFWFLSA-N 2 1 410.484 3.675 20 0 HHADMP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000532628914 1007051442 /nfs/dbraw/zinc/05/14/42/1007051442.db2.gz QXZAOJQIQHQASM-ZEQRLZLVSA-N 2 1 408.590 3.693 20 0 HHADMP C[NH+]1CCN([C@H](C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)c2cccs2)CC1 ZINC000535070714 1007091307 /nfs/dbraw/zinc/09/13/07/1007091307.db2.gz WPZLRELNOFZLDR-CTWPCTMYSA-N 2 1 407.624 3.527 20 0 HHADMP CC[N@@H+](CCC1CCN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)CC1)CC1CC1 ZINC000538915799 1007201022 /nfs/dbraw/zinc/20/10/22/1007201022.db2.gz XBUAPWJQMXIXAN-DEOSSOPVSA-N 2 1 412.622 3.654 20 0 HHADMP CC[NH+](CCC1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1)CC1CC1 ZINC000538915799 1007201030 /nfs/dbraw/zinc/20/10/30/1007201030.db2.gz XBUAPWJQMXIXAN-DEOSSOPVSA-N 2 1 412.622 3.654 20 0 HHADMP CC[NH+](CCC1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1)CC1CC1 ZINC000538915799 1007201037 /nfs/dbraw/zinc/20/10/37/1007201037.db2.gz XBUAPWJQMXIXAN-DEOSSOPVSA-N 2 1 412.622 3.654 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCC[N@@H+](C)C2CCCCC2)cc1F ZINC000516715185 1007252855 /nfs/dbraw/zinc/25/28/55/1007252855.db2.gz UIBYVUMURMXBJE-UHFFFAOYSA-N 2 1 401.530 3.774 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCC[N@H+](C)C2CCCCC2)cc1F ZINC000516715185 1007252871 /nfs/dbraw/zinc/25/28/71/1007252871.db2.gz UIBYVUMURMXBJE-UHFFFAOYSA-N 2 1 401.530 3.774 20 0 HHADMP C[N@@H+](CCC(=O)N1CCN(c2ccccn2)CC1)Cc1cccc(Cl)c1Cl ZINC000532878383 1007262426 /nfs/dbraw/zinc/26/24/26/1007262426.db2.gz GRKQWBJMKHNMND-UHFFFAOYSA-N 2 1 407.345 3.559 20 0 HHADMP CN(CCC(=O)N1CCN(c2ccccn2)CC1)Cc1cccc(Cl)c1Cl ZINC000532878383 1007262432 /nfs/dbraw/zinc/26/24/32/1007262432.db2.gz GRKQWBJMKHNMND-UHFFFAOYSA-N 2 1 407.345 3.559 20 0 HHADMP C[C@@H]1CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000539004840 1007302928 /nfs/dbraw/zinc/30/29/28/1007302928.db2.gz XVKGJUDJCZKUMR-RTWAWAEBSA-N 2 1 421.589 3.602 20 0 HHADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)[C@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000535269207 1007318812 /nfs/dbraw/zinc/31/88/12/1007318812.db2.gz HPJXMJNOQRGODP-IRLDBZIGSA-N 2 1 417.475 3.744 20 0 HHADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)[C@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000535269207 1007318826 /nfs/dbraw/zinc/31/88/26/1007318826.db2.gz HPJXMJNOQRGODP-IRLDBZIGSA-N 2 1 417.475 3.744 20 0 HHADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000535269207 1007318837 /nfs/dbraw/zinc/31/88/37/1007318837.db2.gz HPJXMJNOQRGODP-IRLDBZIGSA-N 2 1 417.475 3.744 20 0 HHADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000535269207 1007318854 /nfs/dbraw/zinc/31/88/54/1007318854.db2.gz HPJXMJNOQRGODP-IRLDBZIGSA-N 2 1 417.475 3.744 20 0 HHADMP C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)C1 ZINC000516844343 1007319698 /nfs/dbraw/zinc/31/96/98/1007319698.db2.gz IDLBMJQQSMSITP-HKBOAZHASA-N 2 1 401.595 3.538 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)C1 ZINC000516844343 1007319713 /nfs/dbraw/zinc/31/97/13/1007319713.db2.gz IDLBMJQQSMSITP-HKBOAZHASA-N 2 1 401.595 3.538 20 0 HHADMP C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C1 ZINC000516844344 1007319757 /nfs/dbraw/zinc/31/97/57/1007319757.db2.gz IDLBMJQQSMSITP-NJDAHSKKSA-N 2 1 401.595 3.538 20 0 HHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C1 ZINC000516844344 1007319770 /nfs/dbraw/zinc/31/97/70/1007319770.db2.gz IDLBMJQQSMSITP-NJDAHSKKSA-N 2 1 401.595 3.538 20 0 HHADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000539062471 1007355410 /nfs/dbraw/zinc/35/54/10/1007355410.db2.gz XOUXPIMHUZZEOX-GUDVDZBRSA-N 2 1 409.368 3.630 20 0 HHADMP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000539075734 1007366624 /nfs/dbraw/zinc/36/66/24/1007366624.db2.gz JWQZILSUTYWUGK-HRCADAONSA-N 2 1 401.364 3.998 20 0 HHADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000539075847 1007367276 /nfs/dbraw/zinc/36/72/76/1007367276.db2.gz LNWCPBRZKXFUSC-SFHVURJKSA-N 2 1 407.986 3.990 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@@H](C3CCCCC3)[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000517089814 1007402710 /nfs/dbraw/zinc/40/27/10/1007402710.db2.gz DQUJEDDARHRQPX-PWHSHALESA-N 2 1 401.595 3.536 20 0 HHADMP C[NH+](C)[C@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cccs1 ZINC000517101024 1007412318 /nfs/dbraw/zinc/41/23/18/1007412318.db2.gz MMRGCZUYNZTNFE-LJQANCHMSA-N 2 1 400.592 3.657 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccsc1 ZINC000517149389 1007462468 /nfs/dbraw/zinc/46/24/68/1007462468.db2.gz RTPVCVAFJIAXOE-FQEVSTJZSA-N 2 1 400.592 3.657 20 0 HHADMP C[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)[C@H]1c1ccccc1 ZINC000535399050 1007465289 /nfs/dbraw/zinc/46/52/89/1007465289.db2.gz UZMIPCXSXSSPDV-CZAYHTPWSA-N 2 1 412.603 3.876 20 0 HHADMP C[NH+]1CC[C@@H](NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[C@H]1c1ccccc1 ZINC000535399050 1007465294 /nfs/dbraw/zinc/46/52/94/1007465294.db2.gz UZMIPCXSXSSPDV-CZAYHTPWSA-N 2 1 412.603 3.876 20 0 HHADMP C[NH+]1CC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[C@H]1c1ccccc1 ZINC000535399050 1007465304 /nfs/dbraw/zinc/46/53/04/1007465304.db2.gz UZMIPCXSXSSPDV-CZAYHTPWSA-N 2 1 412.603 3.876 20 0 HHADMP CCC1(CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000533153962 1007492874 /nfs/dbraw/zinc/49/28/74/1007492874.db2.gz QMDRRGRFVIRUPN-IRLDBZIGSA-N 2 1 400.611 3.803 20 0 HHADMP C[C@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000533211875 1007539918 /nfs/dbraw/zinc/53/99/18/1007539918.db2.gz HJHBRFKHKQLHRP-OAHLLOKOSA-N 2 1 417.351 3.728 20 0 HHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(F)cc3C(F)(F)F)c2)C1 ZINC000533252899 1007571983 /nfs/dbraw/zinc/57/19/83/1007571983.db2.gz RNVIBMNJBRLZEH-GOSISDBHSA-N 2 1 423.454 3.832 20 0 HHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000517332437 1007573557 /nfs/dbraw/zinc/57/35/57/1007573557.db2.gz IRFGCYMSXRSMFL-VIZSFHNOSA-N 2 1 412.622 3.981 20 0 HHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(Cc3ccc(F)cc3)CC3CC3)CC2)CC1 ZINC000517345360 1007583708 /nfs/dbraw/zinc/58/37/08/1007583708.db2.gz WXEQIJSUIYNTAN-UHFFFAOYSA-N 2 1 401.570 3.761 20 0 HHADMP C[NH+](C)CCC1CCN(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535700431 1007737010 /nfs/dbraw/zinc/73/70/10/1007737010.db2.gz KZZGCKVDMCPPHD-WIYYLYMNSA-N 2 1 424.992 3.845 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccccc1 ZINC000517526308 1007746293 /nfs/dbraw/zinc/74/62/93/1007746293.db2.gz ZQZHAMGNNKAEJS-QFIPXVFZSA-N 2 1 416.516 3.531 20 0 HHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(-c4ccccc4)nc4ccccn43)C2)CC1 ZINC000533445533 1007760175 /nfs/dbraw/zinc/76/01/75/1007760175.db2.gz HKVMCSDRVRGLHP-JOCHJYFZSA-N 2 1 403.574 3.602 20 0 HHADMP CC[N@@H+]1CC[C@H]([NH+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C[C@H]1C ZINC000533447084 1007762211 /nfs/dbraw/zinc/76/22/11/1007762211.db2.gz XFIJJTNYBRSGDM-OAGGEKHMSA-N 2 1 401.624 3.745 20 0 HHADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C[C@H]1C ZINC000533447084 1007762217 /nfs/dbraw/zinc/76/22/17/1007762217.db2.gz XFIJJTNYBRSGDM-OAGGEKHMSA-N 2 1 401.624 3.745 20 0 HHADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C[C@H]1C ZINC000533447084 1007762227 /nfs/dbraw/zinc/76/22/27/1007762227.db2.gz XFIJJTNYBRSGDM-OAGGEKHMSA-N 2 1 401.624 3.745 20 0 HHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C[C@H]1C ZINC000533447084 1007762237 /nfs/dbraw/zinc/76/22/37/1007762237.db2.gz XFIJJTNYBRSGDM-OAGGEKHMSA-N 2 1 401.624 3.745 20 0 HHADMP Cc1cccc(NC2CC[NH+]([C@@H](C)C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000533530925 1007851748 /nfs/dbraw/zinc/85/17/48/1007851748.db2.gz SNRVCHLPWDKWMC-OFVILXPXSA-N 2 1 420.601 3.651 20 0 HHADMP Cc1cccc(NC2CC[NH+]([C@@H](C)C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000533530925 1007851758 /nfs/dbraw/zinc/85/17/58/1007851758.db2.gz SNRVCHLPWDKWMC-OFVILXPXSA-N 2 1 420.601 3.651 20 0 HHADMP C[C@H](C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000517717981 1007929048 /nfs/dbraw/zinc/92/90/48/1007929048.db2.gz QONAVWLDJDPODB-XXBNENTESA-N 2 1 419.569 3.538 20 0 HHADMP C[C@H](C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000517717981 1007929055 /nfs/dbraw/zinc/92/90/55/1007929055.db2.gz QONAVWLDJDPODB-XXBNENTESA-N 2 1 419.569 3.538 20 0 HHADMP CC[NH+](CC)CCN(CC(C)C)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000517803598 1007980861 /nfs/dbraw/zinc/98/08/61/1007980861.db2.gz IWGYXKYRCCPGCX-UHFFFAOYSA-N 2 1 403.546 3.829 20 0 HHADMP Cc1ccccc1-c1cnc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)o1 ZINC000536020297 1008057785 /nfs/dbraw/zinc/05/77/85/1008057785.db2.gz YMIYBFYMWJQUSK-UHFFFAOYSA-N 2 1 412.578 3.566 20 0 HHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NCC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539763768 1008078144 /nfs/dbraw/zinc/07/81/44/1008078144.db2.gz YKTAZZGIAXSCRC-VQTJNVASSA-N 2 1 410.965 3.644 20 0 HHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NCC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539763768 1008078150 /nfs/dbraw/zinc/07/81/50/1008078150.db2.gz YKTAZZGIAXSCRC-VQTJNVASSA-N 2 1 410.965 3.644 20 0 HHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NCC2=CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539766525 1008083017 /nfs/dbraw/zinc/08/30/17/1008083017.db2.gz PSLBIGPNQYCQDZ-UXHICEINSA-N 2 1 408.949 3.564 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NCC2=CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539766525 1008083021 /nfs/dbraw/zinc/08/30/21/1008083021.db2.gz PSLBIGPNQYCQDZ-UXHICEINSA-N 2 1 408.949 3.564 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)NCC2=CC[N@H+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539766525 1008083034 /nfs/dbraw/zinc/08/30/34/1008083034.db2.gz PSLBIGPNQYCQDZ-UXHICEINSA-N 2 1 408.949 3.564 20 0 HHADMP CC(C)[NH+]1CC[C@@H](NC(=O)NCC2=CC[N@@H+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539766525 1008083041 /nfs/dbraw/zinc/08/30/41/1008083041.db2.gz PSLBIGPNQYCQDZ-UXHICEINSA-N 2 1 408.949 3.564 20 0 HHADMP Cc1cnn([C@@H]2CC[NH+](Cc3cccc(C[N@@H+]4CC[C@@H](n5cc(C)cn5)C4)c3)C2)c1 ZINC000518014520 1008103230 /nfs/dbraw/zinc/10/32/30/1008103230.db2.gz MNOPFRFOHOOKGS-DNQXCXABSA-N 2 1 404.562 3.590 20 0 HHADMP COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1OCc1ccccc1 ZINC000539823869 1008118071 /nfs/dbraw/zinc/11/80/71/1008118071.db2.gz WBXGSCQZIJEXML-URXFXBBRSA-N 2 1 423.601 3.732 20 0 HHADMP COc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1OCc1ccccc1 ZINC000539823869 1008118079 /nfs/dbraw/zinc/11/80/79/1008118079.db2.gz WBXGSCQZIJEXML-URXFXBBRSA-N 2 1 423.601 3.732 20 0 HHADMP COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1OCc1ccccc1 ZINC000539823871 1008118484 /nfs/dbraw/zinc/11/84/84/1008118484.db2.gz WBXGSCQZIJEXML-XUZZJYLKSA-N 2 1 423.601 3.732 20 0 HHADMP COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1OCc1ccccc1 ZINC000539823871 1008118488 /nfs/dbraw/zinc/11/84/88/1008118488.db2.gz WBXGSCQZIJEXML-XUZZJYLKSA-N 2 1 423.601 3.732 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1F ZINC000536096810 1008120015 /nfs/dbraw/zinc/12/00/15/1008120015.db2.gz VRHMAUGXWJPKPK-UNMCSNQZSA-N 2 1 407.493 3.564 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1F ZINC000536096810 1008120019 /nfs/dbraw/zinc/12/00/19/1008120019.db2.gz VRHMAUGXWJPKPK-UNMCSNQZSA-N 2 1 407.493 3.564 20 0 HHADMP Cc1cccc(Cl)c1NC(=O)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000533839839 1008147849 /nfs/dbraw/zinc/14/78/49/1008147849.db2.gz ZNKUQEJEYRVNFH-UHFFFAOYSA-N 2 1 421.029 3.715 20 0 HHADMP Cc1cccc(Cl)c1NC(=O)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000533839839 1008147856 /nfs/dbraw/zinc/14/78/56/1008147856.db2.gz ZNKUQEJEYRVNFH-UHFFFAOYSA-N 2 1 421.029 3.715 20 0 HHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000533850673 1008156696 /nfs/dbraw/zinc/15/66/96/1008156696.db2.gz SXHZDDNMKHYELS-WJHCDBIXSA-N 2 1 406.574 3.629 20 0 HHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000533850673 1008156700 /nfs/dbraw/zinc/15/67/00/1008156700.db2.gz SXHZDDNMKHYELS-WJHCDBIXSA-N 2 1 406.574 3.629 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000533850673 1008156707 /nfs/dbraw/zinc/15/67/07/1008156707.db2.gz SXHZDDNMKHYELS-WJHCDBIXSA-N 2 1 406.574 3.629 20 0 HHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000533850673 1008156714 /nfs/dbraw/zinc/15/67/14/1008156714.db2.gz SXHZDDNMKHYELS-WJHCDBIXSA-N 2 1 406.574 3.629 20 0 HHADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)NC(=O)Nc2ccccc2)CC1)CC1CC1 ZINC000540050277 1008259462 /nfs/dbraw/zinc/25/94/62/1008259462.db2.gz ORPGRFMGFFPCQW-SFHVURJKSA-N 2 1 400.567 3.557 20 0 HHADMP C[C@@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000518444995 1008309688 /nfs/dbraw/zinc/30/96/88/1008309688.db2.gz NROFPCCYJCWQCF-IBGZPJMESA-N 2 1 414.619 3.780 20 0 HHADMP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1nc(-c2ccccc2)cs1 ZINC000540169602 1008320179 /nfs/dbraw/zinc/32/01/79/1008320179.db2.gz LZSSMGRMUAMXBZ-KRWDZBQOSA-N 2 1 408.571 3.952 20 0 HHADMP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000540172728 1008322002 /nfs/dbraw/zinc/32/20/02/1008322002.db2.gz UMHYAPWPOWZWIK-OAGGEKHMSA-N 2 1 401.364 3.998 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)cc1 ZINC000540182038 1008325708 /nfs/dbraw/zinc/32/57/08/1008325708.db2.gz BDHSOIZXKFCVMF-NQIIRXRSSA-N 2 1 404.514 3.511 20 0 HHADMP COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000518513871 1008333677 /nfs/dbraw/zinc/33/36/77/1008333677.db2.gz WETUSFGKSNEERY-RUZDIDTESA-N 2 1 421.585 3.875 20 0 HHADMP COc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000518513871 1008333683 /nfs/dbraw/zinc/33/36/83/1008333683.db2.gz WETUSFGKSNEERY-RUZDIDTESA-N 2 1 421.585 3.875 20 0 HHADMP COc1ccc([C@H]2CCC[NH+]2CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)cc1 ZINC000518513871 1008333689 /nfs/dbraw/zinc/33/36/89/1008333689.db2.gz WETUSFGKSNEERY-RUZDIDTESA-N 2 1 421.585 3.875 20 0 HHADMP COc1ccc([C@H]2CCC[NH+]2CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)cc1 ZINC000518513871 1008333694 /nfs/dbraw/zinc/33/36/94/1008333694.db2.gz WETUSFGKSNEERY-RUZDIDTESA-N 2 1 421.585 3.875 20 0 HHADMP C[C@@H](Cc1ccccc1)n1cccc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000540211048 1008337230 /nfs/dbraw/zinc/33/72/30/1008337230.db2.gz KJBZWQKYMMRVNI-IBGZPJMESA-N 2 1 403.530 3.691 20 0 HHADMP O=C(NCCC[NH+]1CCc2ccccc2C1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000518644513 1008377110 /nfs/dbraw/zinc/37/71/10/1008377110.db2.gz ZAWSBGQMPONVMR-QHCPKHFHSA-N 2 1 409.549 3.602 20 0 HHADMP O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000518644513 1008377112 /nfs/dbraw/zinc/37/71/12/1008377112.db2.gz ZAWSBGQMPONVMR-QHCPKHFHSA-N 2 1 409.549 3.602 20 0 HHADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000518644513 1008377116 /nfs/dbraw/zinc/37/71/16/1008377116.db2.gz ZAWSBGQMPONVMR-QHCPKHFHSA-N 2 1 409.549 3.602 20 0 HHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000540321663 1008379701 /nfs/dbraw/zinc/37/97/01/1008379701.db2.gz TWKWLGHJKDPJGD-FUHIMQAGSA-N 2 1 417.500 3.718 20 0 HHADMP CC(C)Oc1cccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000540327943 1008381617 /nfs/dbraw/zinc/38/16/17/1008381617.db2.gz YNVFZUHEVAFWLJ-MZKRTTBSSA-N 2 1 409.574 3.904 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)c1ccco1 ZINC000519304996 1008717554 /nfs/dbraw/zinc/71/75/54/1008717554.db2.gz ZLEUIRAANWDQLP-NRFANRHFSA-N 2 1 412.578 3.799 20 0 HHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000549204624 1008776728 /nfs/dbraw/zinc/77/67/28/1008776728.db2.gz KWNFZMZQUVNVFM-PKTZIBPZSA-N 2 1 412.622 3.660 20 0 HHADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000549204624 1008776740 /nfs/dbraw/zinc/77/67/40/1008776740.db2.gz KWNFZMZQUVNVFM-PKTZIBPZSA-N 2 1 412.622 3.660 20 0 HHADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000549204624 1008776754 /nfs/dbraw/zinc/77/67/54/1008776754.db2.gz KWNFZMZQUVNVFM-PKTZIBPZSA-N 2 1 412.622 3.660 20 0 HHADMP Cc1nn(-c2cc[nH+]cc2)cc1CNc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000543241900 1008811220 /nfs/dbraw/zinc/81/12/20/1008811220.db2.gz PKWSNMKJDHMMMP-UHFFFAOYSA-N 2 1 418.545 3.921 20 0 HHADMP CC[NH+](CC)CC1CCN(C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000519495720 1008867457 /nfs/dbraw/zinc/86/74/57/1008867457.db2.gz GWBBQNDHPRDNAB-UHFFFAOYSA-N 2 1 422.658 3.564 20 0 HHADMP Cc1cc([C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c2cccnc2)ccc1F ZINC000543424177 1009014963 /nfs/dbraw/zinc/01/49/63/1009014963.db2.gz OHCUTSLLFJIXQW-DEOSSOPVSA-N 2 1 420.532 3.700 20 0 HHADMP Cc1cc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n(-c2ccc(F)cc2)n1 ZINC000543459970 1009046109 /nfs/dbraw/zinc/04/61/09/1009046109.db2.gz FGIMWJYILJTZHA-ZWKOTPCHSA-N 2 1 413.541 3.501 20 0 HHADMP Cc1cc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n(-c2ccc(F)cc2)n1 ZINC000543459970 1009046126 /nfs/dbraw/zinc/04/61/26/1009046126.db2.gz FGIMWJYILJTZHA-ZWKOTPCHSA-N 2 1 413.541 3.501 20 0 HHADMP COc1ccccc1-c1nc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cs1 ZINC000543525141 1009116341 /nfs/dbraw/zinc/11/63/41/1009116341.db2.gz XIMWAUDRCMUQEX-UHFFFAOYSA-N 2 1 414.619 3.668 20 0 HHADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000519988644 1009136082 /nfs/dbraw/zinc/13/60/82/1009136082.db2.gz DKDNBTVKORILME-XMMPIXPASA-N 2 1 408.590 3.815 20 0 HHADMP C[N@H+]1CCN(CCC[NH2+][C@H](c2ccccc2)c2cncnc2)[C@H](c2ccccc2)C1 ZINC000543603671 1009208648 /nfs/dbraw/zinc/20/86/48/1009208648.db2.gz JVICSMQGMSJGPA-LOSJGSFVSA-N 2 1 401.558 3.534 20 0 HHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549585077 1009211188 /nfs/dbraw/zinc/21/11/88/1009211188.db2.gz UWRUYVUQIYZINO-HKTJVKLFSA-N 2 1 420.601 3.636 20 0 HHADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549585077 1009211204 /nfs/dbraw/zinc/21/12/04/1009211204.db2.gz UWRUYVUQIYZINO-HKTJVKLFSA-N 2 1 420.601 3.636 20 0 HHADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549585077 1009211214 /nfs/dbraw/zinc/21/12/14/1009211214.db2.gz UWRUYVUQIYZINO-HKTJVKLFSA-N 2 1 420.601 3.636 20 0 HHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549585080 1009211248 /nfs/dbraw/zinc/21/12/48/1009211248.db2.gz UWRUYVUQIYZINO-YFJHUXEUSA-N 2 1 420.601 3.636 20 0 HHADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549585080 1009211261 /nfs/dbraw/zinc/21/12/61/1009211261.db2.gz UWRUYVUQIYZINO-YFJHUXEUSA-N 2 1 420.601 3.636 20 0 HHADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549585080 1009211273 /nfs/dbraw/zinc/21/12/73/1009211273.db2.gz UWRUYVUQIYZINO-YFJHUXEUSA-N 2 1 420.601 3.636 20 0 HHADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000543639401 1009242506 /nfs/dbraw/zinc/24/25/06/1009242506.db2.gz ITULZIVSARFXLX-PMACEKPBSA-N 2 1 400.611 3.790 20 0 HHADMP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[NH+]1CCc2ccccc2C1 ZINC000520106741 1009263731 /nfs/dbraw/zinc/26/37/31/1009263731.db2.gz CWDPLFHLZXZWLY-AUSIDOKSSA-N 2 1 409.549 3.601 20 0 HHADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000520106741 1009263744 /nfs/dbraw/zinc/26/37/44/1009263744.db2.gz CWDPLFHLZXZWLY-AUSIDOKSSA-N 2 1 409.549 3.601 20 0 HHADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)[N@H+]1CCc2ccccc2C1 ZINC000520106741 1009263750 /nfs/dbraw/zinc/26/37/50/1009263750.db2.gz CWDPLFHLZXZWLY-AUSIDOKSSA-N 2 1 409.549 3.601 20 0 HHADMP CC(C)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2[nH]c(=O)oc2c1 ZINC000543773371 1009341467 /nfs/dbraw/zinc/34/14/67/1009341467.db2.gz IKQFHTXRKWAIQV-NFBKMPQASA-N 2 1 409.530 3.977 20 0 HHADMP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc(OC)c1OC ZINC000543775953 1009344172 /nfs/dbraw/zinc/34/41/72/1009344172.db2.gz SJMTUURQWDAFJF-LAUBAEHRSA-N 2 1 414.546 3.520 20 0 HHADMP COC(=O)c1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc(C(=O)OC)c1 ZINC000543813030 1009376379 /nfs/dbraw/zinc/37/63/79/1009376379.db2.gz NKWYVZPEXSDDIN-HNNXBMFYSA-N 2 1 407.470 3.605 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCOc2cccc(C)c2)cc1 ZINC000543814725 1009378240 /nfs/dbraw/zinc/37/82/40/1009378240.db2.gz NYYIMWVCEDDMMI-MOPGFXCFSA-N 2 1 406.530 3.723 20 0 HHADMP CC[C@@H](C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000549822491 1009432409 /nfs/dbraw/zinc/43/24/09/1009432409.db2.gz SWNSCZMAPKVZKG-VWLOTQADSA-N 2 1 423.601 3.934 20 0 HHADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)C1 ZINC000520348275 1009485334 /nfs/dbraw/zinc/48/53/34/1009485334.db2.gz NWTNNLXTIZJGDY-SFHVURJKSA-N 2 1 406.640 3.680 20 0 HHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)C1 ZINC000520348275 1009485339 /nfs/dbraw/zinc/48/53/39/1009485339.db2.gz NWTNNLXTIZJGDY-SFHVURJKSA-N 2 1 406.640 3.680 20 0 HHADMP COc1cc(Br)ccc1CCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000544072041 1009676070 /nfs/dbraw/zinc/67/60/70/1009676070.db2.gz PSBDUGNPZZDJKW-NLWGTHIKSA-N 2 1 411.384 3.574 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000546715881 1009697206 /nfs/dbraw/zinc/69/72/06/1009697206.db2.gz DTTXHFHKAYSTFL-PMACEKPBSA-N 2 1 420.479 3.794 20 0 HHADMP C[NH+](C)[C@@H](CNC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000546715881 1009697211 /nfs/dbraw/zinc/69/72/11/1009697211.db2.gz DTTXHFHKAYSTFL-PMACEKPBSA-N 2 1 420.479 3.794 20 0 HHADMP CC[C@@H]1CN(C(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000546853501 1009814707 /nfs/dbraw/zinc/81/47/07/1009814707.db2.gz BADZJHYBHFPKEH-OAQYLSRUSA-N 2 1 424.593 3.587 20 0 HHADMP COCCOc1ccccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550263073 1009815060 /nfs/dbraw/zinc/81/50/60/1009815060.db2.gz VQSDHBARLRGKQI-XMMPIXPASA-N 2 1 424.585 3.730 20 0 HHADMP CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000520985372 1010025169 /nfs/dbraw/zinc/02/51/69/1010025169.db2.gz UZHYYIMCLVMIDK-QFIPXVFZSA-N 2 1 416.610 3.665 20 0 HHADMP COc1cc(OC)c(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000544419384 1010036303 /nfs/dbraw/zinc/03/63/03/1010036303.db2.gz DLUWJJZVXFYAPD-HUUCEWRRSA-N 2 1 409.958 3.538 20 0 HHADMP COc1cc(OC)c(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000544419384 1010036322 /nfs/dbraw/zinc/03/63/22/1010036322.db2.gz DLUWJJZVXFYAPD-HUUCEWRRSA-N 2 1 409.958 3.538 20 0 HHADMP CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000544424464 1010046565 /nfs/dbraw/zinc/04/65/65/1010046565.db2.gz GZPUDFDSGNXGOC-LEEZEASISA-N 2 1 413.606 3.991 20 0 HHADMP CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000544424464 1010046582 /nfs/dbraw/zinc/04/65/82/1010046582.db2.gz GZPUDFDSGNXGOC-LEEZEASISA-N 2 1 413.606 3.991 20 0 HHADMP Cc1nc(C[NH+]2CCC(C(=O)Nc3cccc(OCCC[NH+](C)C)c3)CC2)cs1 ZINC000521149822 1010177611 /nfs/dbraw/zinc/17/76/11/1010177611.db2.gz VIPMWKWXYAXHEG-UHFFFAOYSA-N 2 1 416.591 3.633 20 0 HHADMP CC[N@@H+](Cc1ccc(-c2nc(-c3cccc(N4CC[NH+](C)CC4)n3)no2)cc1)C1CC1 ZINC000547249113 1010196355 /nfs/dbraw/zinc/19/63/55/1010196355.db2.gz IYRGKXJTOLQCDI-UHFFFAOYSA-N 2 1 418.545 3.535 20 0 HHADMP Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000547276267 1010220993 /nfs/dbraw/zinc/22/09/93/1010220993.db2.gz DNWIPXUFIONXMZ-SGTLLEGYSA-N 2 1 410.381 3.598 20 0 HHADMP Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000547276267 1010221006 /nfs/dbraw/zinc/22/10/06/1010221006.db2.gz DNWIPXUFIONXMZ-SGTLLEGYSA-N 2 1 410.381 3.598 20 0 HHADMP Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000547276268 1010221499 /nfs/dbraw/zinc/22/14/99/1010221499.db2.gz DNWIPXUFIONXMZ-XIKOKIGWSA-N 2 1 410.381 3.598 20 0 HHADMP Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000547276268 1010221511 /nfs/dbraw/zinc/22/15/11/1010221511.db2.gz DNWIPXUFIONXMZ-XIKOKIGWSA-N 2 1 410.381 3.598 20 0 HHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000547426729 1010299918 /nfs/dbraw/zinc/29/99/18/1010299918.db2.gz KJBBCSSFCBKAJR-RPWUZVMVSA-N 2 1 408.590 3.566 20 0 HHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000547426729 1010299932 /nfs/dbraw/zinc/29/99/32/1010299932.db2.gz KJBBCSSFCBKAJR-RPWUZVMVSA-N 2 1 408.590 3.566 20 0 HHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000547426729 1010299945 /nfs/dbraw/zinc/29/99/45/1010299945.db2.gz KJBBCSSFCBKAJR-RPWUZVMVSA-N 2 1 408.590 3.566 20 0 HHADMP CCCOc1cc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)ccc1OC ZINC000521332497 1010311293 /nfs/dbraw/zinc/31/12/93/1010311293.db2.gz GNELZNKERHDATF-LJQANCHMSA-N 2 1 403.592 3.624 20 0 HHADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)C[C@@H]1c1ccccc1 ZINC000551005088 1010311514 /nfs/dbraw/zinc/31/15/14/1010311514.db2.gz ISLYLERGPKRNIN-FGZHOGPDSA-N 2 1 408.542 3.889 20 0 HHADMP C[N@H+]1CC[C@@H]([NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)C[C@@H]1c1ccccc1 ZINC000551005088 1010311520 /nfs/dbraw/zinc/31/15/20/1010311520.db2.gz ISLYLERGPKRNIN-FGZHOGPDSA-N 2 1 408.542 3.889 20 0 HHADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1)c1ccc(C(=O)OC)cc1 ZINC000551005383 1010312055 /nfs/dbraw/zinc/31/20/55/1010312055.db2.gz KVNVOLXDKFEXAD-XMMPIXPASA-N 2 1 409.574 3.852 20 0 HHADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547511431 1010334792 /nfs/dbraw/zinc/33/47/92/1010334792.db2.gz FUJKBGHDXLUKQY-WWNPGLIZSA-N 2 1 412.647 3.537 20 0 HHADMP Cc1nc2ccccn2c(=O)c1CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000551092684 1010361297 /nfs/dbraw/zinc/36/12/97/1010361297.db2.gz ACYALJMOCGXOQB-DENIHFKCSA-N 2 1 404.558 3.530 20 0 HHADMP Cc1nc2ccccn2c(=O)c1CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000551092684 1010361306 /nfs/dbraw/zinc/36/13/06/1010361306.db2.gz ACYALJMOCGXOQB-DENIHFKCSA-N 2 1 404.558 3.530 20 0 HHADMP Cc1nc2ccccn2c(=O)c1CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000551092684 1010361317 /nfs/dbraw/zinc/36/13/17/1010361317.db2.gz ACYALJMOCGXOQB-DENIHFKCSA-N 2 1 404.558 3.530 20 0 HHADMP Cc1nc2ccccn2c(=O)c1CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000551092684 1010361326 /nfs/dbraw/zinc/36/13/26/1010361326.db2.gz ACYALJMOCGXOQB-DENIHFKCSA-N 2 1 404.558 3.530 20 0 HHADMP C[C@@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547827900 1010441021 /nfs/dbraw/zinc/44/10/21/1010441021.db2.gz YQXUEGXPHCBEMB-FYYLOGMGSA-N 2 1 420.601 3.590 20 0 HHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)N3CCCCC3)c2)[C@H](C)C1 ZINC000547842965 1010446181 /nfs/dbraw/zinc/44/61/81/1010446181.db2.gz DKDOVUYYSSEMEN-OFNKIYASSA-N 2 1 401.595 3.539 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)N3CCCCC3)c2)[C@H](C)C1 ZINC000547842965 1010446190 /nfs/dbraw/zinc/44/61/90/1010446190.db2.gz DKDOVUYYSSEMEN-OFNKIYASSA-N 2 1 401.595 3.539 20 0 HHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC000521699096 1010559659 /nfs/dbraw/zinc/55/96/59/1010559659.db2.gz MPLAZTIAGVKLEF-UHFFFAOYSA-N 2 1 413.606 3.625 20 0 HHADMP COc1ccc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000551473124 1010608598 /nfs/dbraw/zinc/60/85/98/1010608598.db2.gz BOKVXCARORSKIY-UHFFFAOYSA-N 2 1 407.986 3.617 20 0 HHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(C(=O)OC)cc2F)CC1 ZINC000548423251 1010621759 /nfs/dbraw/zinc/62/17/59/1010621759.db2.gz BIUKBSGBQFKPQC-MRXNPFEDSA-N 2 1 417.500 3.744 20 0 HHADMP C[C@@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000521797477 1010626020 /nfs/dbraw/zinc/62/60/20/1010626020.db2.gz UUTYCWNQDCIETQ-OTWHNJEPSA-N 2 1 400.567 3.701 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000521857866 1010666935 /nfs/dbraw/zinc/66/69/35/1010666935.db2.gz BATKICGRGCVPDU-XMMPIXPASA-N 2 1 406.574 3.804 20 0 HHADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCC[NH+]2Cc2cccc(Cl)c2)C1 ZINC000521875437 1010679616 /nfs/dbraw/zinc/67/96/16/1010679616.db2.gz BOOCRRFIEKHXHC-PZJWPPBQSA-N 2 1 407.002 3.726 20 0 HHADMP CCC[NH+]1CC[C@@H](CNC(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC000521875437 1010679620 /nfs/dbraw/zinc/67/96/20/1010679620.db2.gz BOOCRRFIEKHXHC-PZJWPPBQSA-N 2 1 407.002 3.726 20 0 HHADMP CCC[NH+]1CC[C@@H](CNC(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000521875437 1010679627 /nfs/dbraw/zinc/67/96/27/1010679627.db2.gz BOOCRRFIEKHXHC-PZJWPPBQSA-N 2 1 407.002 3.726 20 0 HHADMP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000545246243 1010701385 /nfs/dbraw/zinc/70/13/85/1010701385.db2.gz HEFHJGSYRAGKFI-ROUUACIJSA-N 2 1 411.571 3.625 20 0 HHADMP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000545246243 1010701396 /nfs/dbraw/zinc/70/13/96/1010701396.db2.gz HEFHJGSYRAGKFI-ROUUACIJSA-N 2 1 411.571 3.625 20 0 HHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000545247151 1010701982 /nfs/dbraw/zinc/70/19/82/1010701982.db2.gz JAHQRTACOOXFLU-IAGOWNOFSA-N 2 1 402.498 3.906 20 0 HHADMP Cc1cccc([C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000551624795 1010705346 /nfs/dbraw/zinc/70/53/46/1010705346.db2.gz HWHCUNHRPSHNAL-ZJSPYRCASA-N 2 1 417.597 3.906 20 0 HHADMP Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000551624795 1010705360 /nfs/dbraw/zinc/70/53/60/1010705360.db2.gz HWHCUNHRPSHNAL-ZJSPYRCASA-N 2 1 417.597 3.906 20 0 HHADMP Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000551624795 1010705371 /nfs/dbraw/zinc/70/53/71/1010705371.db2.gz HWHCUNHRPSHNAL-ZJSPYRCASA-N 2 1 417.597 3.906 20 0 HHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000522048953 1010778025 /nfs/dbraw/zinc/77/80/25/1010778025.db2.gz HSRBPTIWPJAPJF-GMAHTHKFSA-N 2 1 414.638 3.751 20 0 HHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000522048953 1010778032 /nfs/dbraw/zinc/77/80/32/1010778032.db2.gz HSRBPTIWPJAPJF-GMAHTHKFSA-N 2 1 414.638 3.751 20 0 HHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000522048953 1010778040 /nfs/dbraw/zinc/77/80/40/1010778040.db2.gz HSRBPTIWPJAPJF-GMAHTHKFSA-N 2 1 414.638 3.751 20 0 HHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000522256799 1010891705 /nfs/dbraw/zinc/89/17/05/1010891705.db2.gz NLMAZJPXYKHAAL-VWLOTQADSA-N 2 1 418.541 3.630 20 0 HHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000522256799 1010891713 /nfs/dbraw/zinc/89/17/13/1010891713.db2.gz NLMAZJPXYKHAAL-VWLOTQADSA-N 2 1 418.541 3.630 20 0 HHADMP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)ccc1F ZINC000522379995 1010969161 /nfs/dbraw/zinc/96/91/61/1010969161.db2.gz URXBSUBIVNGOFB-LJQANCHMSA-N 2 1 401.501 3.555 20 0 HHADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000522428045 1011002752 /nfs/dbraw/zinc/00/27/52/1011002752.db2.gz YDVNOHIKFAVSDD-FQEVSTJZSA-N 2 1 400.611 3.981 20 0 HHADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000522428045 1011002756 /nfs/dbraw/zinc/00/27/56/1011002756.db2.gz YDVNOHIKFAVSDD-FQEVSTJZSA-N 2 1 400.611 3.981 20 0 HHADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000522428045 1011002760 /nfs/dbraw/zinc/00/27/60/1011002760.db2.gz YDVNOHIKFAVSDD-FQEVSTJZSA-N 2 1 400.611 3.981 20 0 HHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1F ZINC000522429567 1011004645 /nfs/dbraw/zinc/00/46/45/1011004645.db2.gz YGWJSBRKYUBIJG-IRXDYDNUSA-N 2 1 415.557 3.876 20 0 HHADMP CCN(CC)C(=O)[C@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)c1ccccc1 ZINC000522546638 1011073143 /nfs/dbraw/zinc/07/31/43/1011073143.db2.gz XFYPRTJNDJOBRG-HSZRJFAPSA-N 2 1 412.578 3.703 20 0 HHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](C)c3cccc(C)c3C)CC2)cc1 ZINC000540588311 1011243934 /nfs/dbraw/zinc/24/39/34/1011243934.db2.gz FEPXMABZZFNJIO-OAQYLSRUSA-N 2 1 409.574 3.697 20 0 HHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](C)c3cccc(C)c3C)CC2)cc1 ZINC000540588311 1011243945 /nfs/dbraw/zinc/24/39/45/1011243945.db2.gz FEPXMABZZFNJIO-OAQYLSRUSA-N 2 1 409.574 3.697 20 0 HHADMP COCCc1nc(C)c([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)s1 ZINC000536157356 1011282983 /nfs/dbraw/zinc/28/29/83/1011282983.db2.gz GPBOUYSGNBCKSC-NQIIRXRSSA-N 2 1 416.635 3.670 20 0 HHADMP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000522865925 1011307004 /nfs/dbraw/zinc/30/70/04/1011307004.db2.gz LTVWWCXDXYQHIT-JOCHJYFZSA-N 2 1 424.614 3.524 20 0 HHADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c3ccccc3)c2C1 ZINC000523043402 1011511451 /nfs/dbraw/zinc/51/14/51/1011511451.db2.gz YKQFAOMHJPYLAZ-SFHVURJKSA-N 2 1 422.573 3.596 20 0 HHADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c3ccccc3)c2C1 ZINC000523043402 1011511465 /nfs/dbraw/zinc/51/14/65/1011511465.db2.gz YKQFAOMHJPYLAZ-SFHVURJKSA-N 2 1 422.573 3.596 20 0 HHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000540921018 1011588302 /nfs/dbraw/zinc/58/83/02/1011588302.db2.gz IIZVPNVIAKHNIZ-NNWRFLSQSA-N 2 1 409.578 3.530 20 0 HHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000540921018 1011588315 /nfs/dbraw/zinc/58/83/15/1011588315.db2.gz IIZVPNVIAKHNIZ-NNWRFLSQSA-N 2 1 409.578 3.530 20 0 HHADMP COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c(OC)c1 ZINC000541026184 1011661401 /nfs/dbraw/zinc/66/14/01/1011661401.db2.gz TXAKSYCKXFRNBR-HOTGVXAUSA-N 2 1 408.502 3.876 20 0 HHADMP COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c(OC)c1 ZINC000541026186 1011661819 /nfs/dbraw/zinc/66/18/19/1011661819.db2.gz TXAKSYCKXFRNBR-JKSUJKDBSA-N 2 1 408.502 3.876 20 0 HHADMP CC(C)[N@@H+](Cc1ccc(NC(=O)N[C@@H](C)CC[NH+](C)C)cc1)C[C@H]1CCCCO1 ZINC000541031929 1011666088 /nfs/dbraw/zinc/66/60/88/1011666088.db2.gz JORBYQKNSJTHHP-SIKLNZKXSA-N 2 1 404.599 3.928 20 0 HHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccco1 ZINC000523192404 1011678095 /nfs/dbraw/zinc/67/80/95/1011678095.db2.gz RMCIOSYEKWKHBS-QUCCMNQESA-N 2 1 418.607 3.935 20 0 HHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000536521054 1011712026 /nfs/dbraw/zinc/71/20/26/1011712026.db2.gz YONWWJHFZOPCCH-UYAOXDASSA-N 2 1 404.574 3.683 20 0 HHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc(OCC(F)F)cc3)CC2)CC1 ZINC000536666639 1011818929 /nfs/dbraw/zinc/81/89/29/1011818929.db2.gz PEACJNNHRBYGNI-UHFFFAOYSA-N 2 1 409.565 3.959 20 0 HHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(OCC(F)F)cc1 ZINC000536666639 1011818941 /nfs/dbraw/zinc/81/89/41/1011818941.db2.gz PEACJNNHRBYGNI-UHFFFAOYSA-N 3 1 409.565 3.959 20 0 HHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(OCC(F)F)cc1 ZINC000536666639 1011818957 /nfs/dbraw/zinc/81/89/57/1011818957.db2.gz PEACJNNHRBYGNI-UHFFFAOYSA-N 3 1 409.565 3.959 20 0 HHADMP CN(C)C(=O)COc1ccccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536667391 1011820601 /nfs/dbraw/zinc/82/06/01/1011820601.db2.gz BMLJMYDTNXMSMS-UHFFFAOYSA-N 2 1 421.585 3.642 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000523479953 1011992390 /nfs/dbraw/zinc/99/23/90/1011992390.db2.gz BYLITWDZBQJFQN-UHFFFAOYSA-N 2 1 420.548 3.589 20 0 HHADMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000523479953 1011992401 /nfs/dbraw/zinc/99/24/01/1011992401.db2.gz BYLITWDZBQJFQN-UHFFFAOYSA-N 2 1 420.548 3.589 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NCC4([NH+]5CCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000552047562 1012067283 /nfs/dbraw/zinc/06/72/83/1012067283.db2.gz QTRMYLSACQRTPX-GVAUOCQISA-N 2 1 411.634 3.912 20 0 HHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]CC4(N5CCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000552047562 1012067301 /nfs/dbraw/zinc/06/73/01/1012067301.db2.gz QTRMYLSACQRTPX-GVAUOCQISA-N 2 1 411.634 3.912 20 0 HHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CC4(N5CCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000552047562 1012067320 /nfs/dbraw/zinc/06/73/20/1012067320.db2.gz QTRMYLSACQRTPX-GVAUOCQISA-N 2 1 411.634 3.912 20 0 HHADMP Brc1ccc2c(c1)CC[C@H]([NH2+]CC1([NH+]3CCCCC3)CCOCC1)C2 ZINC000536856488 1012088746 /nfs/dbraw/zinc/08/87/46/1012088746.db2.gz GLVYKTBGRPBJLZ-FQEVSTJZSA-N 2 1 407.396 3.931 20 0 HHADMP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(F)cc1Br ZINC000536864553 1012101009 /nfs/dbraw/zinc/10/10/09/1012101009.db2.gz UAZMFFXJQDANER-CQSZACIVSA-N 2 1 422.342 3.730 20 0 HHADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CC[C@@H](c4nc(C5CC5)no4)O3)CC2)cc1 ZINC000552090849 1012105957 /nfs/dbraw/zinc/10/59/57/1012105957.db2.gz VQCCTSRPAKCRAO-RTWAWAEBSA-N 2 1 414.525 3.603 20 0 HHADMP Cc1cc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc2cccnc12 ZINC000541388566 1012111060 /nfs/dbraw/zinc/11/10/60/1012111060.db2.gz IYJIXXWCHDOOLV-HSZRJFAPSA-N 2 1 402.542 3.530 20 0 HHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000523616083 1012188403 /nfs/dbraw/zinc/18/84/03/1012188403.db2.gz OKQKYBIYHPQMEU-RBBKRZOGSA-N 2 1 415.626 3.588 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000523616083 1012188414 /nfs/dbraw/zinc/18/84/14/1012188414.db2.gz OKQKYBIYHPQMEU-RBBKRZOGSA-N 2 1 415.626 3.588 20 0 HHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000523616083 1012188428 /nfs/dbraw/zinc/18/84/28/1012188428.db2.gz OKQKYBIYHPQMEU-RBBKRZOGSA-N 2 1 415.626 3.588 20 0 HHADMP CC(=O)N1CC[NH+](CCOc2ccc(CC[NH2+][C@@H](c3ccccc3)C(C)C)cc2)CC1 ZINC000536999641 1012301309 /nfs/dbraw/zinc/30/13/09/1012301309.db2.gz VSPZKHNDTBPLAU-AREMUKBSSA-N 2 1 423.601 3.759 20 0 HHADMP CC(=O)Nc1ccc(C[NH2+]CCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)cc1 ZINC000537022831 1012329044 /nfs/dbraw/zinc/32/90/44/1012329044.db2.gz ZZXNTSXOTPBANX-BGYRXZFFSA-N 2 1 409.574 3.944 20 0 HHADMP C[C@H](CC[NH2+][C@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1)[NH+]1CCCCC1 ZINC000541559250 1012345700 /nfs/dbraw/zinc/34/57/00/1012345700.db2.gz YTXCTNYFOAILAL-RTBURBONSA-N 2 1 419.591 3.673 20 0 HHADMP C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599469 1012392176 /nfs/dbraw/zinc/39/21/76/1012392176.db2.gz FVAOWGDOJIQWDY-MPGHIAIKSA-N 2 1 401.378 3.976 20 0 HHADMP C[C@H]([NH2+]CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599966 1012393279 /nfs/dbraw/zinc/39/32/79/1012393279.db2.gz SEGGXTNNUBCKON-ICSRJNTNSA-N 2 1 421.589 3.931 20 0 HHADMP C[C@H]([NH2+]CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599966 1012393296 /nfs/dbraw/zinc/39/32/96/1012393296.db2.gz SEGGXTNNUBCKON-ICSRJNTNSA-N 2 1 421.589 3.931 20 0 HHADMP C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541603027 1012400735 /nfs/dbraw/zinc/40/07/35/1012400735.db2.gz MJYMDSGTXLUURL-SJORKVTESA-N 2 1 422.411 3.650 20 0 HHADMP C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541603027 1012400752 /nfs/dbraw/zinc/40/07/52/1012400752.db2.gz MJYMDSGTXLUURL-SJORKVTESA-N 2 1 422.411 3.650 20 0 HHADMP C[C@H](NC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCC1(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000552420892 1012437942 /nfs/dbraw/zinc/43/79/42/1012437942.db2.gz YAOFOFDUAIEQIW-DWLFOUALSA-N 2 1 419.560 3.913 20 0 HHADMP COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000537159268 1012557550 /nfs/dbraw/zinc/55/75/50/1012557550.db2.gz KOXXNTSNIDFJQJ-HOTGVXAUSA-N 2 1 408.502 3.876 20 0 HHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000523867461 1012564520 /nfs/dbraw/zinc/56/45/20/1012564520.db2.gz LBBYDGNDCKJWPZ-QFIPXVFZSA-N 2 1 420.601 3.782 20 0 HHADMP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@@H](c3ccccc3)c3cncnc3)CC2)cc1 ZINC000541746652 1012604790 /nfs/dbraw/zinc/60/47/90/1012604790.db2.gz KRVMLWLDHZJSAH-SANMLTNESA-N 2 1 415.585 3.754 20 0 HHADMP CC[C@@H]([NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1)c1ccc(C)cc1 ZINC000537292175 1012751269 /nfs/dbraw/zinc/75/12/69/1012751269.db2.gz RYYQUUNQRLHAKK-XMMPIXPASA-N 2 1 409.574 3.779 20 0 HHADMP CC[C@@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1)c1ccc(C)cc1 ZINC000537292175 1012751280 /nfs/dbraw/zinc/75/12/80/1012751280.db2.gz RYYQUUNQRLHAKK-XMMPIXPASA-N 2 1 409.574 3.779 20 0 HHADMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(F)cc(Br)c1 ZINC000537293386 1012751766 /nfs/dbraw/zinc/75/17/66/1012751766.db2.gz QECHETUXIGUJNH-IBGZPJMESA-N 2 1 400.380 3.903 20 0 HHADMP COc1cc(OC)c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1Cl ZINC000541918684 1012777511 /nfs/dbraw/zinc/77/75/11/1012777511.db2.gz JKABYYWDWKXXQO-YJBOKZPZSA-N 2 1 404.938 3.775 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)c2cc1C ZINC000552912990 1012913563 /nfs/dbraw/zinc/91/35/63/1012913563.db2.gz ICUFVWDAQZXQRY-YMPZKCBVSA-N 2 1 406.574 3.657 20 0 HHADMP Cc1cc2ncn(C[C@H](O)C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)c2cc1C ZINC000552912990 1012913582 /nfs/dbraw/zinc/91/35/82/1012913582.db2.gz ICUFVWDAQZXQRY-YMPZKCBVSA-N 2 1 406.574 3.657 20 0 HHADMP C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000524135680 1012920327 /nfs/dbraw/zinc/92/03/27/1012920327.db2.gz NXWIYMGSSHLPSO-XJUOHMSHSA-N 2 1 400.611 3.801 20 0 HHADMP C[C@@H]1C[C@@H](N(C)C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC[NH+]1Cc1ccccc1 ZINC000524139951 1012925702 /nfs/dbraw/zinc/92/57/02/1012925702.db2.gz HKMIPAQMOAPMKM-SRUXOGRHSA-N 2 1 400.611 3.944 20 0 HHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000524139951 1012925720 /nfs/dbraw/zinc/92/57/20/1012925720.db2.gz HKMIPAQMOAPMKM-SRUXOGRHSA-N 2 1 400.611 3.944 20 0 HHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000524139951 1012925738 /nfs/dbraw/zinc/92/57/38/1012925738.db2.gz HKMIPAQMOAPMKM-SRUXOGRHSA-N 2 1 400.611 3.944 20 0 HHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCSc4c(F)cccc43)CC2)CC1 ZINC000552971443 1012954693 /nfs/dbraw/zinc/95/46/93/1012954693.db2.gz XQFUIHAVWNXMMO-HXUWFJFHSA-N 2 1 405.583 3.675 20 0 HHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+]([C@H]1Cc3ccc(OC)cc3C1)CC2 ZINC001168266288 1071831112 /nfs/dbraw/zinc/83/11/12/1071831112.db2.gz DICARIGBNRFAEE-ZEQRLZLVSA-N 2 1 421.585 3.561 20 0 HHADMP COc1ccc2c(c1)C[C@@H]([N@H+]1CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C1)C2 ZINC001168271200 1072021900 /nfs/dbraw/zinc/02/19/00/1072021900.db2.gz GMDHWWUUQGIMDC-KYPHJKQUSA-N 2 1 410.602 3.623 20 0 HHADMP COc1ccc2c(c1)C[C@@H]([NH+]1CC[C@]3(C1)C[N@H+](CC1CC1)C[C@H]3COCC1CC1)C2 ZINC001168271200 1072021914 /nfs/dbraw/zinc/02/19/14/1072021914.db2.gz GMDHWWUUQGIMDC-KYPHJKQUSA-N 2 1 410.602 3.623 20 0 HHADMP COc1ccc2c(c1)C[C@@H]([NH+]1CC[C@]3(C1)C[N@@H+](CC1CC1)C[C@H]3COCC1CC1)C2 ZINC001168271200 1072021930 /nfs/dbraw/zinc/02/19/30/1072021930.db2.gz GMDHWWUUQGIMDC-KYPHJKQUSA-N 2 1 410.602 3.623 20 0 HHADMP Cc1ccc(-c2nc(C[NH+]3CCC(C(=O)NCCC[NH+]4CCCCC4)CC3)co2)cc1 ZINC000487846474 1072082653 /nfs/dbraw/zinc/08/26/53/1072082653.db2.gz USQTYOVUJKKJTQ-UHFFFAOYSA-N 2 1 424.589 3.854 20 0 HHADMP Cn1nccc1[C@@H]1CCC[NH+](CCCCCC[N@@H+]2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000729815092 1072129791 /nfs/dbraw/zinc/12/97/91/1072129791.db2.gz NUIIQKIVJOUFQN-FGZHOGPDSA-N 2 1 412.626 3.773 20 0 HHADMP COc1ccc2c(c1)C[C@@H]([NH+]1CCC3(CC1)C[N@H+](Cc1cccc(OC)c1)CCO3)C2 ZINC001168274881 1072153385 /nfs/dbraw/zinc/15/33/85/1072153385.db2.gz ZDFGVJNSLVMEKS-QHCPKHFHSA-N 2 1 422.569 3.538 20 0 HHADMP COc1ccc2c(c1)C[C@@H]([NH+]1CCC3(CC1)C[N@@H+](Cc1cccc(OC)c1)CCO3)C2 ZINC001168274881 1072153388 /nfs/dbraw/zinc/15/33/88/1072153388.db2.gz ZDFGVJNSLVMEKS-QHCPKHFHSA-N 2 1 422.569 3.538 20 0 HHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000586855805 1072477230 /nfs/dbraw/zinc/47/72/30/1072477230.db2.gz RSVLONAAAHZNHM-HXUWFJFHSA-N 2 1 400.611 3.708 20 0 HHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000586870054 1072494088 /nfs/dbraw/zinc/49/40/88/1072494088.db2.gz GYMGDAZPARVBFL-HSZRJFAPSA-N 2 1 412.622 3.852 20 0 HHADMP C[NH+](C)C1CCC([N@H+]2C[C@@H](c3ccccc3)[C@@]3(CCN(c4cccnc4)C3=O)C2)CC1 ZINC001168321454 1072501676 /nfs/dbraw/zinc/50/16/76/1072501676.db2.gz HMCVCEUPPJYUHL-AHAKQSSWSA-N 2 1 418.585 3.777 20 0 HHADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000537705064 1072618675 /nfs/dbraw/zinc/61/86/75/1072618675.db2.gz CHMOTNPYRQSHPV-SXLOBPIMSA-N 2 1 420.395 3.529 20 0 HHADMP Cc1cc(C[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)cnc1Cl ZINC000760669145 1072655278 /nfs/dbraw/zinc/65/52/78/1072655278.db2.gz HXCIWDZGZWFJIV-UHFFFAOYSA-N 2 1 403.954 3.823 20 0 HHADMP CN(C(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001126870378 1072858179 /nfs/dbraw/zinc/85/81/79/1072858179.db2.gz RUADQYDYWCAYCI-LFRSYBKYSA-N 2 1 421.585 3.763 20 0 HHADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC000588710805 1073156716 /nfs/dbraw/zinc/15/67/16/1073156716.db2.gz WJIOTUMHPYNSRI-HBMCJLEFSA-N 2 1 401.595 3.760 20 0 HHADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC000588710805 1073156719 /nfs/dbraw/zinc/15/67/19/1073156719.db2.gz WJIOTUMHPYNSRI-HBMCJLEFSA-N 2 1 401.595 3.760 20 0 HHADMP CCOc1cc(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc(Cl)c1O ZINC000572196315 1073225206 /nfs/dbraw/zinc/22/52/06/1073225206.db2.gz RMMZTYVXALTVQI-OAQYLSRUSA-N 2 1 417.981 3.913 20 0 HHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C(=O)OCC)c3ccccc32)[C@@H](C)C1 ZINC000555228032 1073273927 /nfs/dbraw/zinc/27/39/27/1073273927.db2.gz TVQONZCHQHWFSI-OUFMZXHOSA-N 2 1 402.579 3.895 20 0 HHADMP CC1CC[NH+](Cc2ccc(NC(=O)[C@H](c3ccccc3)N3CC[NH+](C)CC3)cc2)CC1 ZINC000590008208 1073447578 /nfs/dbraw/zinc/44/75/78/1073447578.db2.gz UROCXLJXBVDNSK-VWLOTQADSA-N 2 1 420.601 3.846 20 0 HHADMP O=c1[nH]c2ccccc2cc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000555612596 1073675364 /nfs/dbraw/zinc/67/53/64/1073675364.db2.gz VJRZRSLGIKRDBR-QHCPKHFHSA-N 2 1 417.553 3.959 20 0 HHADMP C[NH+]1CCN([C@@H](C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)c2ccccc2)CC1 ZINC000591446957 1074303040 /nfs/dbraw/zinc/30/30/40/1074303040.db2.gz OHQXQHAACZCUGX-RUZDIDTESA-N 2 1 420.601 3.990 20 0 HHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2sc(N3CCOCC3)nc2-c2ccccc2)C1 ZINC000591711887 1074501647 /nfs/dbraw/zinc/50/16/47/1074501647.db2.gz BKEYFARYTQHYQL-IBGZPJMESA-N 2 1 414.619 3.857 20 0 HHADMP CC[C@@H](CNC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000593500090 1075204834 /nfs/dbraw/zinc/20/48/34/1075204834.db2.gz LSINLJXYZBAQJB-QHCPKHFHSA-N 2 1 424.589 3.976 20 0 HHADMP C[C@]12CCC[N@@H+]1C[C@@H](c1noc([C@@H]3CCC[NH+](Cc4cccc(F)c4)C3)n1)OC2 ZINC000574318659 1075219637 /nfs/dbraw/zinc/21/96/37/1075219637.db2.gz ZSUKJGAFDLGVRG-ZWCUEREDSA-N 2 1 400.498 3.514 20 0 HHADMP C[C@]12CCC[N@H+]1C[C@@H](c1noc([C@@H]3CCC[NH+](Cc4cccc(F)c4)C3)n1)OC2 ZINC000574318659 1075219639 /nfs/dbraw/zinc/21/96/39/1075219639.db2.gz ZSUKJGAFDLGVRG-ZWCUEREDSA-N 2 1 400.498 3.514 20 0 HHADMP C[C@]12CCC[NH+]1C[C@@H](c1noc([C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)n1)OC2 ZINC000574318659 1075219644 /nfs/dbraw/zinc/21/96/44/1075219644.db2.gz ZSUKJGAFDLGVRG-ZWCUEREDSA-N 2 1 400.498 3.514 20 0 HHADMP C[C@]12CCC[NH+]1C[C@@H](c1noc([C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)n1)OC2 ZINC000574318659 1075219647 /nfs/dbraw/zinc/21/96/47/1075219647.db2.gz ZSUKJGAFDLGVRG-ZWCUEREDSA-N 2 1 400.498 3.514 20 0 HHADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000597205393 1075634027 /nfs/dbraw/zinc/63/40/27/1075634027.db2.gz TYPCWQWUYFHPGG-LEWJYISDSA-N 2 1 402.583 3.760 20 0 HHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1C[N@H+](C(C)(C)c1ccnc(Cl)c1)C2 ZINC001164619702 719011933 /nfs/dbraw/zinc/01/19/33/719011933.db2.gz WVAPIRVRPSVBTR-VGOFRKELSA-N 2 1 405.970 3.615 20 0 HHADMP C(c1nc2sc3c(c2c(N2CCC(C4C[NH2+]C4)CC2)n1)CCCC3)[NH+]1CCCC1 ZINC001164614857 719037408 /nfs/dbraw/zinc/03/74/08/719037408.db2.gz HGFGWVDNECNYRK-UHFFFAOYSA-N 2 1 411.619 3.602 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(-c2nc(-c3ccccc3)nc3ccccc32)c2c1CC[NH2+]C2 ZINC001164686055 719616417 /nfs/dbraw/zinc/61/64/17/719616417.db2.gz XRKSJAGMEHLHRV-UHFFFAOYSA-N 2 1 412.541 3.968 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(-c3ccccc3)nc3ccccc32)c2c1CC[NH2+]C2 ZINC001164686055 719616426 /nfs/dbraw/zinc/61/64/26/719616426.db2.gz XRKSJAGMEHLHRV-UHFFFAOYSA-N 2 1 412.541 3.968 20 0 HHADMP CC(C)[N@H+](C)Cc1nn(-c2nccc3c2ccn3Cc2ccccc2)c2c1CC[NH2+]C2 ZINC001164684872 719627276 /nfs/dbraw/zinc/62/72/76/719627276.db2.gz YKAHTMIZWACVRA-UHFFFAOYSA-N 2 1 414.557 3.756 20 0 HHADMP CC(C)[N@@H+](C)Cc1nn(-c2nccc3c2ccn3Cc2ccccc2)c2c1CC[NH2+]C2 ZINC001164684872 719627281 /nfs/dbraw/zinc/62/72/81/719627281.db2.gz YKAHTMIZWACVRA-UHFFFAOYSA-N 2 1 414.557 3.756 20 0 HHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164679614 719649278 /nfs/dbraw/zinc/64/92/78/719649278.db2.gz IRRLQSDUFKBNKX-JOCHJYFZSA-N 2 1 410.610 3.690 20 0 HHADMP CCC[N@@H+]1CCCC[C@@H]1c1ccc(-n2nc(C[NH+](C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164679614 719649289 /nfs/dbraw/zinc/64/92/89/719649289.db2.gz IRRLQSDUFKBNKX-JOCHJYFZSA-N 3 1 410.610 3.690 20 0 HHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(-n2nc(C[NH+](C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164679614 719649303 /nfs/dbraw/zinc/64/93/03/719649303.db2.gz IRRLQSDUFKBNKX-JOCHJYFZSA-N 3 1 410.610 3.690 20 0 HHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164679614 719649313 /nfs/dbraw/zinc/64/93/13/719649313.db2.gz IRRLQSDUFKBNKX-JOCHJYFZSA-N 3 1 410.610 3.690 20 0 HHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164679614 719649320 /nfs/dbraw/zinc/64/93/20/719649320.db2.gz IRRLQSDUFKBNKX-JOCHJYFZSA-N 3 1 410.610 3.690 20 0 HHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]cnc3c1ccn3C1CCCC1)C2 ZINC001164810070 720124351 /nfs/dbraw/zinc/12/43/51/720124351.db2.gz JOGYPHXRVLVCFJ-DVECYGJZSA-N 2 1 409.578 3.731 20 0 HHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]cnc3c1ccn3C1CCCC1)C2 ZINC001164810070 720124353 /nfs/dbraw/zinc/12/43/53/720124353.db2.gz JOGYPHXRVLVCFJ-DVECYGJZSA-N 2 1 409.578 3.731 20 0 HHADMP Cc1cc2ccccc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]1 ZINC001164747981 720838418 /nfs/dbraw/zinc/83/84/18/720838418.db2.gz SCSVBQMBAWUJJY-FUPPJEDESA-N 2 1 402.546 3.514 20 0 HHADMP Cc1cc2ccccc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]1 ZINC001164747981 720838419 /nfs/dbraw/zinc/83/84/19/720838419.db2.gz SCSVBQMBAWUJJY-FUPPJEDESA-N 2 1 402.546 3.514 20 0 HHADMP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)[C@@H]2C ZINC001164856268 720973169 /nfs/dbraw/zinc/97/31/69/720973169.db2.gz AKUWOPNWOBFXTD-QGZVFWFLSA-N 2 1 417.001 3.949 20 0 HHADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)[C@@H]2C ZINC001164856268 720973177 /nfs/dbraw/zinc/97/31/77/720973177.db2.gz AKUWOPNWOBFXTD-QGZVFWFLSA-N 2 1 417.001 3.949 20 0 HHADMP Cc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001165019578 721802533 /nfs/dbraw/zinc/80/25/33/721802533.db2.gz DCZLQIYYLYKKQC-ILWGZMRPSA-N 2 1 406.578 3.517 20 0 HHADMP Cc1nc(N2CCCC2)cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]1 ZINC001165019578 721802534 /nfs/dbraw/zinc/80/25/34/721802534.db2.gz DCZLQIYYLYKKQC-ILWGZMRPSA-N 2 1 406.578 3.517 20 0 HHADMP Cc1nc(N2CCCC2)cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]1 ZINC001165019578 721802535 /nfs/dbraw/zinc/80/25/35/721802535.db2.gz DCZLQIYYLYKKQC-ILWGZMRPSA-N 2 1 406.578 3.517 20 0 HHADMP